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 1v0f_1_D DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT 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 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.658 174.600 0.097 0.000 1.055 245 S CA 0.000 58.243 58.200 0.071 0.000 1.107 245 S CB 0.000 63.239 63.200 0.065 0.000 0.593 246 A N 2.663 125.571 122.820 0.147 0.000 2.425 246 A HA 0.548 4.875 4.320 0.013 0.000 0.249 246 A C 0.816 178.507 177.584 0.179 0.000 1.084 246 A CA 0.017 52.186 52.037 0.220 0.000 0.781 246 A CB 0.257 19.485 19.000 0.379 0.000 1.019 246 A HN 0.690 nan 8.150 nan 0.000 0.490 247 K N 1.802 122.270 120.400 0.112 0.000 2.076 247 K HA 0.115 4.443 4.320 0.013 0.000 0.204 247 K C 1.356 177.894 176.600 -0.103 0.000 1.051 247 K CA 1.109 57.407 56.287 0.018 0.000 0.949 247 K CB -0.661 31.841 32.500 0.003 0.000 0.726 247 K HN 1.622 nan 8.250 nan 0.000 0.443 248 G N 3.000 111.635 108.800 -0.274 0.000 2.371 248 G HA2 -0.250 3.718 3.960 0.013 0.000 0.299 248 G HA3 -0.250 3.718 3.960 0.013 0.000 0.299 248 G C -0.099 174.552 174.900 -0.415 0.000 1.014 248 G CA 0.885 45.493 45.100 -0.819 0.000 1.097 248 G HN 0.468 nan 8.290 nan 0.000 0.512 249 D N -1.762 118.505 120.400 -0.222 0.000 2.433 249 D HA 0.375 5.023 4.640 0.013 0.000 0.211 249 D C 1.760 178.011 176.300 -0.081 0.000 1.114 249 D CA 0.457 54.382 54.000 -0.125 0.000 0.837 249 D CB -0.304 40.455 40.800 -0.069 0.000 0.984 249 D HN 1.433 nan 8.370 nan 0.000 0.505 250 G N 0.206 108.954 108.800 -0.087 0.000 2.184 250 G HA2 -0.322 3.646 3.960 0.013 0.000 0.264 250 G HA3 -0.322 3.646 3.960 0.013 0.000 0.264 250 G C 0.952 175.861 174.900 0.016 0.000 0.975 250 G CA 1.311 46.405 45.100 -0.010 0.000 0.642 250 G HN 1.014 nan 8.290 nan 0.000 0.536 251 V N -4.228 115.687 119.914 0.002 0.000 3.159 251 V HA 0.446 4.574 4.120 0.013 0.000 0.234 251 V C 1.148 177.250 176.094 0.015 0.000 1.313 251 V CA 1.322 63.628 62.300 0.011 0.000 1.271 251 V CB 0.081 31.908 31.823 0.006 0.000 1.053 251 V HN 0.296 nan 8.190 nan 0.000 0.476 252 T N 3.402 117.963 114.554 0.011 0.000 2.834 252 T HA 0.206 4.564 4.350 0.013 0.000 0.298 252 T C -0.329 174.396 174.700 0.041 0.000 0.966 252 T CA 0.542 62.655 62.100 0.022 0.000 1.141 252 T CB 0.477 69.355 68.868 0.017 0.000 0.905 252 T HN 0.586 nan 8.240 nan 0.000 0.535 253 D N 2.488 122.913 120.400 0.042 0.000 2.412 253 D HA -0.004 4.644 4.640 0.013 0.000 0.257 253 D C 0.265 176.607 176.300 0.071 0.000 1.217 253 D CA -0.126 53.907 54.000 0.054 0.000 0.897 253 D CB 0.535 41.359 40.800 0.040 0.000 1.132 253 D HN 0.370 nan 8.370 nan 0.000 0.493 254 D N 2.672 123.135 120.400 0.105 0.000 2.395 254 D HA 0.007 4.655 4.640 0.013 0.000 0.213 254 D C 1.457 177.819 176.300 0.103 0.000 1.110 254 D CA 0.102 54.184 54.000 0.137 0.000 0.835 254 D CB 0.495 41.451 40.800 0.260 0.000 0.965 254 D HN 0.398 nan 8.370 nan 0.000 0.505 255 T N 0.995 115.586 114.554 0.062 0.000 2.565 255 T HA -0.259 4.099 4.350 0.013 0.000 0.265 255 T C 2.059 176.770 174.700 0.019 0.000 1.082 255 T CA 2.097 64.207 62.100 0.017 0.000 1.173 255 T CB -0.170 68.695 68.868 -0.005 0.000 0.864 255 T HN 0.264 nan 8.240 nan 0.000 0.425 256 A N 1.322 124.157 122.820 0.024 0.000 1.902 256 A HA 0.122 4.450 4.320 0.013 0.000 0.217 256 A C 2.669 180.274 177.584 0.035 0.000 1.181 256 A CA 2.082 54.132 52.037 0.022 0.000 0.623 256 A CB -1.203 17.809 19.000 0.020 0.000 0.818 256 A HN 0.555 nan 8.150 nan 0.000 0.443 257 A N -0.631 122.221 122.820 0.054 0.000 1.883 257 A HA -0.049 4.279 4.320 0.013 0.000 0.217 257 A C 1.997 179.625 177.584 0.073 0.000 1.186 257 A CA 1.799 53.877 52.037 0.068 0.000 0.624 257 A CB -0.531 18.526 19.000 0.095 0.000 0.822 257 A HN 0.391 nan 8.150 nan 0.000 0.444 258 L N -0.405 120.869 121.223 0.086 0.000 2.093 258 L HA -0.090 4.257 4.340 0.013 0.000 0.208 258 L C 2.684 179.608 176.870 0.091 0.000 1.085 258 L CA 2.213 57.121 54.840 0.115 0.000 0.755 258 L CB -1.720 40.411 42.059 0.120 0.000 0.904 258 L HN 0.360 nan 8.230 nan 0.000 0.435 259 T N -1.280 113.301 114.554 0.044 0.000 2.652 259 T HA -0.218 4.140 4.350 0.013 0.000 0.267 259 T C 2.207 176.915 174.700 0.014 0.000 1.039 259 T CA 1.849 63.959 62.100 0.017 0.000 1.153 259 T CB -0.209 68.657 68.868 -0.003 0.000 0.863 259 T HN 0.318 nan 8.240 nan 0.000 0.428 260 S N 0.608 116.318 115.700 0.017 0.000 2.359 260 S HA -0.191 4.287 4.470 0.013 0.000 0.223 260 S C 2.378 176.982 174.600 0.006 0.000 1.039 260 S CA 1.717 59.924 58.200 0.011 0.000 1.042 260 S CB -0.695 62.515 63.200 0.017 0.000 0.915 260 S HN 0.544 nan 8.310 nan 0.000 0.439 261 A N 1.381 124.210 122.820 0.016 0.000 1.892 261 A HA -0.061 4.266 4.320 0.013 0.000 0.218 261 A C 2.272 179.834 177.584 -0.037 0.000 1.188 261 A CA 1.733 53.767 52.037 -0.004 0.000 0.631 261 A CB -0.985 18.020 19.000 0.008 0.000 0.822 261 A HN 0.584 nan 8.150 nan 0.000 0.447 262 L N -0.734 120.470 121.223 -0.031 0.000 2.042 262 L HA -0.260 4.088 4.340 0.013 0.000 0.210 262 L C 2.180 179.018 176.870 -0.053 0.000 1.076 262 L CA 1.967 56.768 54.840 -0.065 0.000 0.749 262 L CB -0.622 41.421 42.059 -0.026 0.000 0.893 262 L HN 0.482 nan 8.230 nan 0.000 0.432 263 N N -0.731 117.950 118.700 -0.032 0.000 2.396 263 N HA -0.133 4.615 4.740 0.013 0.000 0.180 263 N C 0.935 176.427 175.510 -0.030 0.000 1.028 263 N CA 0.739 53.772 53.050 -0.030 0.000 0.893 263 N CB 0.013 38.487 38.487 -0.022 0.000 0.967 263 N HN 0.205 nan 8.380 nan 0.000 0.440 264 D N -0.718 119.665 120.400 -0.029 0.000 2.339 264 D HA 0.028 4.676 4.640 0.013 0.000 0.217 264 D C 0.078 176.357 176.300 -0.035 0.000 1.050 264 D CA 0.492 54.477 54.000 -0.026 0.000 0.856 264 D CB 0.118 40.907 40.800 -0.018 0.000 0.922 264 D HN 0.275 nan 8.370 nan 0.000 0.518 265 T N -1.531 112.992 114.554 -0.051 0.000 2.885 265 T HA 0.636 4.994 4.350 0.013 0.000 0.285 265 T C -2.794 171.868 174.700 -0.062 0.000 1.019 265 T CA -2.078 59.985 62.100 -0.062 0.000 1.010 265 T CB 2.171 70.985 68.868 -0.089 0.000 1.022 265 T HN -0.304 nan 8.240 nan 0.000 0.466 266 P HA 0.169 nan 4.420 nan 0.000 0.271 266 P C 1.497 178.760 177.300 -0.062 0.000 1.216 266 P CA -0.680 62.390 63.100 -0.050 0.000 0.776 266 P CB 0.481 32.157 31.700 -0.039 0.000 0.881 267 V N 0.419 120.299 119.914 -0.055 0.000 2.867 267 V HA -0.092 4.036 4.120 0.013 0.000 0.260 267 V C 1.878 177.937 176.094 -0.059 0.000 1.099 267 V CA 2.042 64.305 62.300 -0.061 0.000 1.122 267 V CB -1.817 29.978 31.823 -0.046 0.000 0.708 267 V HN 0.660 nan 8.190 nan 0.000 0.490 268 G N -0.452 108.319 108.800 -0.049 0.000 2.683 268 G HA2 -0.038 3.930 3.960 0.013 0.000 0.213 268 G HA3 -0.038 3.930 3.960 0.013 0.000 0.213 268 G C 0.811 175.682 174.900 -0.048 0.000 1.142 268 G CA 0.201 45.276 45.100 -0.041 0.000 0.793 268 G HN 0.578 nan 8.290 nan 0.000 0.534 269 Q N 1.667 121.428 119.800 -0.064 0.000 2.286 269 Q HA 0.179 4.527 4.340 0.013 0.000 0.267 269 Q C -0.038 175.903 176.000 -0.098 0.000 1.028 269 Q CA 0.077 55.836 55.803 -0.072 0.000 0.901 269 Q CB 0.326 29.016 28.738 -0.080 0.000 1.183 269 Q HN 0.116 nan 8.270 nan 0.000 0.392 270 K N 5.538 125.896 120.400 -0.071 0.000 2.315 270 K HA 0.143 4.471 4.320 0.013 0.000 0.291 270 K C -0.411 176.132 176.600 -0.095 0.000 1.074 270 K CA -0.055 56.190 56.287 -0.070 0.000 0.936 270 K CB 0.093 32.582 32.500 -0.018 0.000 1.049 270 K HN 0.647 nan 8.250 nan 0.000 0.471 271 I N 3.041 123.489 120.570 -0.203 0.000 2.379 271 I HA -0.030 4.147 4.170 0.013 0.000 0.290 271 I C 0.639 176.729 176.117 -0.044 0.000 1.063 271 I CA -0.354 60.822 61.300 -0.208 0.000 1.351 271 I CB 0.133 37.854 38.000 -0.465 0.000 1.410 271 I HN 0.417 nan 8.210 nan 0.000 0.505 272 N N 5.264 123.975 118.700 0.018 0.000 2.408 272 N HA 0.172 4.919 4.740 0.013 0.000 0.257 272 N C 0.734 176.322 175.510 0.129 0.000 1.064 272 N CA -0.038 53.063 53.050 0.084 0.000 0.952 272 N CB 1.715 40.240 38.487 0.064 0.000 1.093 272 N HN 0.752 nan 8.380 nan 0.000 0.490 273 G N 2.167 111.076 108.800 0.182 0.000 3.284 273 G HA2 -0.053 3.915 3.960 0.013 0.000 0.236 273 G HA3 -0.053 3.915 3.960 0.013 0.000 0.236 273 G C 0.229 175.310 174.900 0.301 0.000 1.158 273 G CA -0.374 44.878 45.100 0.253 0.000 0.774 273 G HN 0.757 nan 8.290 nan 0.000 0.545 274 N N -0.103 118.717 118.700 0.199 0.000 2.721 274 N HA -0.210 4.538 4.740 0.013 0.000 0.249 274 N C 1.528 177.130 175.510 0.154 0.000 1.072 274 N CA 1.505 54.644 53.050 0.149 0.000 0.710 274 N CB -1.427 37.133 38.487 0.121 0.000 0.993 274 N HN 1.001 nan 8.380 nan 0.000 0.547 275 G N -1.390 107.544 108.800 0.224 0.000 2.175 275 G HA2 -0.392 3.576 3.960 0.013 0.000 0.265 275 G HA3 -0.392 3.576 3.960 0.013 0.000 0.265 275 G C 0.223 175.320 174.900 0.328 0.000 0.979 275 G CA 1.187 46.459 45.100 0.287 0.000 0.663 275 G HN 0.583 nan 8.290 nan 0.000 0.533 276 K N 0.083 120.605 120.400 0.203 0.000 2.090 276 K HA 0.588 4.915 4.320 0.013 0.000 0.250 276 K C 0.108 176.639 176.600 -0.116 0.000 1.004 276 K CA -0.121 56.158 56.287 -0.014 0.000 0.919 276 K CB 0.808 33.180 32.500 -0.214 0.000 1.045 276 K HN 0.072 nan 8.250 nan 0.000 0.471 277 T N 1.741 116.142 114.554 -0.255 0.000 2.771 277 T HA 0.333 4.691 4.350 0.013 0.000 0.281 277 T C -1.124 173.380 174.700 -0.326 0.000 0.982 277 T CA -0.515 61.465 62.100 -0.201 0.000 0.978 277 T CB 0.185 69.025 68.868 -0.046 0.000 0.930 277 T HN 0.262 nan 8.240 nan 0.000 0.447 278 Y N 2.059 122.274 120.300 -0.141 0.000 2.328 278 Y HA 0.399 4.957 4.550 0.013 0.000 0.337 278 Y C 0.658 176.595 175.900 0.060 0.000 0.966 278 Y CA -1.094 56.983 58.100 -0.039 0.000 1.136 278 Y CB 1.151 39.570 38.460 -0.068 0.000 1.170 278 Y HN 0.278 nan 8.280 nan 0.000 0.470 279 K N 4.247 124.739 120.400 0.154 0.000 2.322 279 K HA 0.440 4.768 4.320 0.013 0.000 0.283 279 K C -0.821 175.865 176.600 0.145 0.000 1.042 279 K CA -0.022 56.339 56.287 0.124 0.000 0.958 279 K CB 0.574 33.114 32.500 0.067 0.000 0.984 279 K HN 0.654 nan 8.250 nan 0.000 0.473 280 V N 0.402 120.395 119.914 0.131 0.000 3.078 280 V HA 0.451 4.579 4.120 0.013 0.000 0.311 280 V C 0.633 176.789 176.094 0.103 0.000 1.138 280 V CA -0.438 61.899 62.300 0.062 0.000 1.007 280 V CB 1.536 33.316 31.823 -0.072 0.000 1.045 280 V HN 0.792 nan 8.190 nan 0.000 0.432 281 T N -1.796 112.784 114.554 0.044 0.000 3.060 281 T HA 0.372 4.730 4.350 0.013 0.000 0.249 281 T C 0.646 175.380 174.700 0.058 0.000 1.079 281 T CA 0.464 62.629 62.100 0.109 0.000 1.013 281 T CB -0.034 68.866 68.868 0.054 0.000 0.975 281 T HN 0.804 nan 8.240 nan 0.000 0.518 282 S N 0.174 115.735 115.700 -0.232 0.000 2.533 282 S HA 0.557 5.034 4.470 0.013 0.000 0.271 282 S C -0.913 173.237 174.600 -0.750 0.000 1.143 282 S CA -0.872 57.008 58.200 -0.533 0.000 0.891 282 S CB 1.498 64.520 63.200 -0.298 0.000 1.105 282 S HN 0.348 nan 8.310 nan 0.000 0.468 283 L N 4.436 125.030 121.223 -1.049 0.000 2.462 283 L HA 0.289 4.637 4.340 0.013 0.000 0.272 283 L C -1.478 175.000 176.870 -0.653 0.000 1.166 283 L CA -1.044 53.234 54.840 -0.937 0.000 0.880 283 L CB 0.095 41.579 42.059 -0.957 0.000 1.142 283 L HN 0.471 nan 8.230 nan 0.000 0.473 284 P HA 0.058 nan 4.420 nan 0.000 0.312 284 P C -0.809 176.293 177.300 -0.330 0.000 1.308 284 P CA -0.567 62.275 63.100 -0.429 0.000 0.743 284 P CB 0.492 31.948 31.700 -0.407 0.000 1.364 285 D N -0.006 120.333 120.400 -0.102 0.000 2.441 285 D HA 0.045 4.693 4.640 0.013 0.000 0.243 285 D C 1.371 177.742 176.300 0.117 0.000 1.257 285 D CA 0.046 54.034 54.000 -0.019 0.000 1.027 285 D CB -0.756 40.051 40.800 0.012 0.000 1.084 285 D HN 0.169 nan 8.370 nan 0.000 0.514 286 I N 1.613 122.166 120.570 -0.028 0.000 2.315 286 I HA -0.343 3.835 4.170 0.013 0.000 0.251 286 I C 2.332 178.609 176.117 0.266 0.000 1.125 286 I CA 1.145 62.504 61.300 0.099 0.000 1.392 286 I CB -0.267 37.721 38.000 -0.020 0.000 1.065 286 I HN 0.346 nan 8.210 nan 0.000 0.424 287 S N 0.745 116.528 115.700 0.137 0.000 2.469 287 S HA -0.140 4.338 4.470 0.013 0.000 0.238 287 S C 1.924 176.584 174.600 0.100 0.000 0.998 287 S CA 0.719 58.979 58.200 0.101 0.000 0.957 287 S CB -0.379 62.842 63.200 0.034 0.000 0.764 287 S HN 0.464 nan 8.310 nan 0.000 0.514 288 R N -0.511 120.059 120.500 0.116 0.000 2.310 288 R HA 0.322 4.670 4.340 0.013 0.000 0.202 288 R C -0.749 175.429 176.300 -0.204 0.000 0.933 288 R CA 0.077 56.129 56.100 -0.081 0.000 1.054 288 R CB 0.077 30.254 30.300 -0.206 0.000 0.985 288 R HN 0.402 nan 8.270 nan 0.000 0.489 289 F N 0.925 120.911 119.950 0.060 0.000 2.458 289 F HA 0.443 4.978 4.527 0.013 0.000 0.330 289 F C 0.474 176.316 175.800 0.070 0.000 1.082 289 F CA -1.413 56.627 58.000 0.068 0.000 0.995 289 F CB 1.187 40.263 39.000 0.126 0.000 1.170 289 F HN -0.191 nan 8.300 nan 0.000 0.478 290 I N -0.523 120.182 120.570 0.224 0.000 2.846 290 I HA 0.578 4.756 4.170 0.013 0.000 0.307 290 I C 0.029 176.271 176.117 0.209 0.000 1.053 290 I CA -1.187 60.224 61.300 0.186 0.000 1.050 290 I CB 1.752 39.821 38.000 0.115 0.000 1.239 290 I HN 0.629 nan 8.210 nan 0.000 0.439 291 N N 1.846 120.685 118.700 0.232 0.000 2.725 291 N HA -0.164 4.584 4.740 0.013 0.000 0.251 291 N C -1.155 174.568 175.510 0.355 0.000 1.031 291 N CA 1.175 54.398 53.050 0.288 0.000 0.720 291 N CB -0.793 37.799 38.487 0.175 0.000 0.930 291 N HN 0.959 nan 8.380 nan 0.000 0.543 292 T N 0.601 115.310 114.554 0.259 0.000 2.912 292 T HA 0.483 4.840 4.350 0.013 0.000 0.299 292 T C -0.262 174.093 174.700 -0.575 0.000 1.052 292 T CA -0.709 61.324 62.100 -0.112 0.000 0.996 292 T CB 2.233 70.909 68.868 -0.320 0.000 1.070 292 T HN 0.310 nan 8.240 nan 0.000 0.465 293 R N 1.533 121.545 120.500 -0.813 0.000 2.670 293 R HA 0.698 5.046 4.340 0.013 0.000 0.289 293 R C -1.603 174.306 176.300 -0.653 0.000 0.965 293 R CA -0.704 54.857 56.100 -0.898 0.000 0.899 293 R CB 1.015 30.569 30.300 -1.243 0.000 1.173 293 R HN 0.479 nan 8.270 nan 0.000 0.456 294 F N 3.009 122.927 119.950 -0.054 0.000 2.458 294 F HA 0.359 4.894 4.527 0.013 0.000 0.336 294 F C -0.137 175.715 175.800 0.087 0.000 1.114 294 F CA -0.868 57.144 58.000 0.020 0.000 0.987 294 F CB 2.007 40.965 39.000 -0.070 0.000 1.130 294 F HN 0.077 nan 8.300 nan 0.000 0.458 295 V N 2.538 122.552 119.914 0.165 0.000 2.439 295 V HA 0.499 4.627 4.120 0.013 0.000 0.282 295 V C -1.087 175.071 176.094 0.107 0.000 1.039 295 V CA -1.105 61.130 62.300 -0.108 0.000 0.913 295 V CB 1.077 32.767 31.823 -0.221 0.000 0.983 295 V HN 0.782 nan 8.190 nan 0.000 0.460 296 Y N 1.942 122.207 120.300 -0.058 0.000 2.442 296 Y HA 0.470 5.028 4.550 0.013 0.000 0.330 296 Y C -0.459 175.435 175.900 -0.010 0.000 1.100 296 Y CA -0.634 57.449 58.100 -0.029 0.000 1.034 296 Y CB 2.030 40.434 38.460 -0.093 0.000 1.285 296 Y HN 0.742 nan 8.280 nan 0.000 0.440 297 E N 6.554 126.433 120.200 -0.534 0.000 2.079 297 E HA 0.205 4.563 4.350 0.013 0.000 0.252 297 E C 0.623 176.721 176.600 -0.836 0.000 0.992 297 E CA -0.418 55.664 56.400 -0.529 0.000 0.829 297 E CB 1.036 30.586 29.700 -0.251 0.000 1.158 297 E HN 0.694 nan 8.360 nan 0.000 0.435 298 R N 2.514 122.413 120.500 -1.002 0.000 2.083 298 R HA -0.073 4.275 4.340 0.013 0.000 0.237 298 R C 0.535 176.681 176.300 -0.258 0.000 1.137 298 R CA 1.069 56.809 56.100 -0.600 0.000 0.951 298 R CB 0.308 30.459 30.300 -0.248 0.000 0.851 298 R HN 0.356 nan 8.270 nan 0.000 0.434 299 I N 2.737 123.180 120.570 -0.210 0.000 2.321 299 I HA 0.291 4.469 4.170 0.013 0.000 0.291 299 I C -2.286 173.733 176.117 -0.163 0.000 0.998 299 I CA -3.223 57.991 61.300 -0.143 0.000 1.227 299 I CB 1.083 39.020 38.000 -0.106 0.000 1.368 299 I HN -0.057 nan 8.210 nan 0.000 0.466 300 P HA 0.133 nan 4.420 nan 0.000 0.262 300 P C 0.928 178.161 177.300 -0.112 0.000 1.182 300 P CA 0.714 63.749 63.100 -0.107 0.000 0.761 300 P CB 0.553 32.212 31.700 -0.067 0.000 0.795 301 G N 2.377 111.113 108.800 -0.107 0.000 2.175 301 G HA2 -0.242 3.726 3.960 0.013 0.000 0.244 301 G HA3 -0.242 3.726 3.960 0.013 0.000 0.244 301 G C 0.048 174.832 174.900 -0.193 0.000 0.982 301 G CA -0.316 44.727 45.100 -0.095 0.000 0.641 301 G HN 0.599 nan 8.290 nan 0.000 0.527 302 Q N 1.141 120.790 119.800 -0.252 0.000 2.965 302 Q HA 0.271 4.619 4.340 0.013 0.000 0.288 302 Q C -2.710 173.184 176.000 -0.177 0.000 0.974 302 Q CA -1.725 53.878 55.803 -0.334 0.000 0.849 302 Q CB 2.307 30.797 28.738 -0.412 0.000 1.280 302 Q HN 0.387 nan 8.270 nan 0.000 0.441 303 P HA 0.104 nan 4.420 nan 0.000 0.271 303 P C -0.600 176.620 177.300 -0.134 0.000 1.216 303 P CA 0.256 63.261 63.100 -0.158 0.000 0.771 303 P CB 1.082 32.692 31.700 -0.150 0.000 0.864 304 L N 3.127 124.236 121.223 -0.190 0.000 2.327 304 L HA 0.519 4.867 4.340 0.013 0.000 0.258 304 L C -0.343 176.336 176.870 -0.319 0.000 1.024 304 L CA -1.139 53.619 54.840 -0.137 0.000 0.825 304 L CB 1.492 43.489 42.059 -0.102 0.000 1.386 304 L HN 0.286 nan 8.230 nan 0.000 0.417 305 Y N -0.196 119.999 120.300 -0.175 0.000 2.487 305 Y HA 0.582 5.140 4.550 0.013 0.000 0.337 305 Y C -1.049 174.613 175.900 -0.397 0.000 1.076 305 Y CA -0.636 57.387 58.100 -0.128 0.000 1.115 305 Y CB 1.642 40.034 38.460 -0.113 0.000 1.235 305 Y HN 0.214 nan 8.280 nan 0.000 0.468 306 Y N 0.521 120.920 120.300 0.166 0.000 2.354 306 Y HA 0.651 5.209 4.550 0.013 0.000 0.330 306 Y C -0.302 175.633 175.900 0.058 0.000 1.011 306 Y CA -1.318 56.850 58.100 0.114 0.000 1.099 306 Y CB 1.695 40.236 38.460 0.134 0.000 1.179 306 Y HN 0.685 nan 8.280 nan 0.000 0.442 307 A N 2.477 125.383 122.820 0.144 0.000 2.276 307 A HA 0.562 4.890 4.320 0.013 0.000 0.300 307 A C 0.380 178.074 177.584 0.183 0.000 1.235 307 A CA -0.452 51.646 52.037 0.101 0.000 0.867 307 A CB 0.172 19.309 19.000 0.227 0.000 1.137 307 A HN 0.765 nan 8.150 nan 0.000 0.527 308 S N 2.643 118.441 115.700 0.163 0.000 2.617 308 S HA 0.224 4.701 4.470 0.013 0.000 0.259 308 S C 0.199 174.941 174.600 0.236 0.000 1.301 308 S CA -0.448 57.889 58.200 0.228 0.000 0.984 308 S CB 0.276 63.625 63.200 0.247 0.000 0.954 308 S HN 0.679 nan 8.310 nan 0.000 0.572 309 E N 0.919 121.242 120.200 0.205 0.000 2.481 309 E HA 0.027 4.385 4.350 0.013 0.000 0.263 309 E C 0.666 177.379 176.600 0.188 0.000 0.992 309 E CA 0.746 57.251 56.400 0.175 0.000 0.938 309 E CB 0.045 29.823 29.700 0.130 0.000 0.933 309 E HN 0.820 nan 8.360 nan 0.000 0.453 310 E N 0.191 120.491 120.200 0.167 0.000 3.799 310 E HA -0.317 4.041 4.350 0.013 0.000 0.320 310 E C 0.738 177.433 176.600 0.159 0.000 0.760 310 E CA 0.766 57.247 56.400 0.135 0.000 1.153 310 E CB -1.456 28.304 29.700 0.101 0.000 1.589 310 E HN 0.549 nan 8.360 nan 0.000 0.448 311 F N 1.111 121.118 119.950 0.095 0.000 2.113 311 F HA -0.060 4.476 4.527 0.014 0.000 0.297 311 F C 1.301 177.159 175.800 0.096 0.000 1.103 311 F CA 1.452 59.503 58.000 0.086 0.000 1.248 311 F CB 0.346 39.395 39.000 0.081 0.000 0.999 311 F HN -0.012 nan 8.300 nan 0.000 0.475 312 V N -0.434 119.561 119.914 0.135 0.000 2.850 312 V HA 0.413 4.541 4.120 0.013 0.000 0.315 312 V C -0.405 175.737 176.094 0.080 0.000 1.064 312 V CA -0.878 61.452 62.300 0.051 0.000 0.979 312 V CB 1.527 33.452 31.823 0.169 0.000 1.039 312 V HN 0.146 nan 8.190 nan 0.000 0.452 313 Q N 2.060 121.883 119.800 0.037 0.000 2.472 313 Q HA 0.622 4.970 4.340 0.013 0.000 0.227 313 Q C 0.089 176.137 176.000 0.080 0.000 1.156 313 Q CA 0.369 56.203 55.803 0.051 0.000 0.924 313 Q CB 0.838 29.591 28.738 0.026 0.000 1.354 313 Q HN 1.162 nan 8.270 nan 0.000 0.525 314 G N 1.902 110.741 108.800 0.066 0.000 2.698 314 G HA2 0.498 4.466 3.960 0.013 0.000 0.293 314 G HA3 0.498 4.466 3.960 0.013 0.000 0.293 314 G C -1.809 172.946 174.900 -0.241 0.000 1.437 314 G CA -0.424 44.637 45.100 -0.065 0.000 0.852 314 G HN 0.401 nan 8.290 nan 0.000 0.499 315 E N 0.007 119.833 120.200 -0.623 0.000 2.335 315 E HA 0.436 4.794 4.350 0.013 0.000 0.280 315 E C -1.719 174.560 176.600 -0.534 0.000 0.918 315 E CA -0.794 55.333 56.400 -0.456 0.000 0.765 315 E CB 2.587 32.073 29.700 -0.356 0.000 1.218 315 E HN 0.430 nan 8.360 nan 0.000 0.425 316 L N 4.241 125.328 121.223 -0.227 0.000 2.326 316 L HA 0.548 4.895 4.340 0.013 0.000 0.278 316 L C -1.563 175.229 176.870 -0.131 0.000 1.092 316 L CA 0.243 55.110 54.840 0.045 0.000 0.810 316 L CB 0.440 42.643 42.059 0.240 0.000 1.153 316 L HN 0.473 nan 8.230 nan 0.000 0.439 317 F N 3.338 123.343 119.950 0.092 0.000 2.522 317 F HA 0.483 5.018 4.527 0.014 0.000 0.324 317 F C 0.008 175.797 175.800 -0.018 0.000 1.077 317 F CA -0.767 57.255 58.000 0.037 0.000 0.944 317 F CB 1.626 40.650 39.000 0.040 0.000 1.175 317 F HN 0.341 nan 8.300 nan 0.000 0.468 318 K N 3.565 124.006 120.400 0.068 0.000 2.227 318 K HA 0.424 4.752 4.320 0.013 0.000 0.280 318 K C 0.448 176.819 176.600 -0.383 0.000 1.041 318 K CA -0.211 55.865 56.287 -0.351 0.000 0.905 318 K CB 0.601 32.908 32.500 -0.321 0.000 1.068 318 K HN 0.794 nan 8.250 nan 0.000 0.470 319 I N 0.245 120.423 120.570 -0.654 0.000 4.288 319 I HA 0.188 4.366 4.170 0.013 0.000 0.331 319 I C -0.029 175.766 176.117 -0.537 0.000 1.322 319 I CA -0.318 60.522 61.300 -0.767 0.000 1.149 319 I CB 0.870 37.899 38.000 -1.619 0.000 1.112 319 I HN 0.502 nan 8.210 nan 0.000 0.403 320 T N -1.924 112.314 114.554 -0.527 0.000 2.906 320 T HA 0.536 4.894 4.350 0.013 0.000 0.295 320 T C -1.095 173.420 174.700 -0.307 0.000 1.075 320 T CA -0.464 61.425 62.100 -0.351 0.000 1.005 320 T CB 2.611 71.253 68.868 -0.377 0.000 1.136 320 T HN 0.111 nan 8.240 nan 0.000 0.498 321 D N 1.059 121.359 120.400 -0.167 0.000 2.668 321 D HA 0.359 5.007 4.640 0.013 0.000 0.247 321 D C -1.124 175.154 176.300 -0.036 0.000 1.268 321 D CA -0.048 53.882 54.000 -0.117 0.000 0.842 321 D CB 0.944 41.686 40.800 -0.096 0.000 1.399 321 D HN 0.648 nan 8.370 nan 0.000 0.530 322 T N 1.662 116.210 114.554 -0.010 0.000 2.900 322 T HA 0.413 4.771 4.350 0.013 0.000 0.295 322 T C -1.922 172.801 174.700 0.039 0.000 1.044 322 T CA -1.444 60.703 62.100 0.079 0.000 0.995 322 T CB 2.379 71.364 68.868 0.196 0.000 1.072 322 T HN -0.073 nan 8.240 nan 0.000 0.473 323 P HA 0.034 nan 4.420 nan 0.000 0.226 323 P C -0.158 177.025 177.300 -0.195 0.000 1.153 323 P CA 0.685 63.667 63.100 -0.198 0.000 0.777 323 P CB -0.046 31.418 31.700 -0.394 0.000 0.794 324 Y N -1.873 118.459 120.300 0.053 0.000 2.385 324 Y HA 0.041 4.599 4.550 0.013 0.000 0.346 324 Y C 0.958 177.015 175.900 0.263 0.000 1.270 324 Y CA -0.424 57.800 58.100 0.206 0.000 1.472 324 Y CB -0.132 38.500 38.460 0.286 0.000 1.354 324 Y HN -0.109 nan 8.280 nan 0.000 0.611 325 Y N 3.061 123.595 120.300 0.389 0.000 2.624 325 Y HA 0.125 4.683 4.550 0.013 0.000 0.354 325 Y C -0.703 175.328 175.900 0.219 0.000 1.051 325 Y CA -0.773 57.436 58.100 0.181 0.000 1.377 325 Y CB -0.752 37.705 38.460 -0.006 0.000 1.168 325 Y HN 0.468 nan 8.280 nan 0.000 0.525 326 N N 4.804 123.599 118.700 0.159 0.000 2.437 326 N HA 0.725 5.473 4.740 0.013 0.000 0.259 326 N C -1.015 174.436 175.510 -0.097 0.000 0.983 326 N CA -0.356 52.770 53.050 0.126 0.000 0.937 326 N CB 1.193 39.618 38.487 -0.103 0.000 1.122 326 N HN 0.630 nan 8.380 nan 0.000 0.499 327 A N 1.492 124.328 122.820 0.026 0.000 2.536 327 A HA 0.557 4.885 4.320 0.013 0.000 0.293 327 A C -1.463 176.176 177.584 0.092 0.000 1.119 327 A CA -0.727 51.108 52.037 -0.337 0.000 0.654 327 A CB 0.753 19.069 19.000 -1.140 0.000 1.291 327 A HN 0.715 nan 8.150 nan 0.000 0.439 328 W N -2.430 118.949 121.300 0.132 0.000 4.926 328 W HA -0.110 4.558 4.660 0.013 0.000 0.401 328 W C -2.317 174.296 176.519 0.157 0.000 1.555 328 W CA 0.213 57.637 57.345 0.132 0.000 0.877 328 W CB -2.306 27.197 29.460 0.071 0.000 2.743 328 W HN 0.566 nan 8.180 nan 0.000 1.328 329 P HA -0.175 nan 4.420 nan 0.000 0.220 329 P C 1.143 178.594 177.300 0.251 0.000 1.148 329 P CA 1.777 65.031 63.100 0.257 0.000 0.803 329 P CB 0.118 31.914 31.700 0.160 0.000 0.782 330 Q N 0.999 120.976 119.800 0.295 0.000 2.308 330 Q HA -0.048 4.300 4.340 0.013 0.000 0.313 330 Q C -0.488 175.602 176.000 0.149 0.000 1.075 330 Q CA 0.380 56.357 55.803 0.291 0.000 0.995 330 Q CB -0.234 28.797 28.738 0.489 0.000 1.107 330 Q HN -0.051 nan 8.270 nan 0.000 0.380 331 D N 2.779 123.130 120.400 -0.082 0.000 2.404 331 D HA 0.226 4.874 4.640 0.013 0.000 0.267 331 D C -0.564 175.775 176.300 0.065 0.000 1.194 331 D CA -0.538 53.448 54.000 -0.024 0.000 0.910 331 D CB 0.577 41.253 40.800 -0.208 0.000 1.090 331 D HN 0.675 nan 8.370 nan 0.000 0.511 332 K N 0.742 121.228 120.400 0.143 0.000 2.491 332 K HA 0.373 4.701 4.320 0.013 0.000 0.211 332 K C 0.738 177.496 176.600 0.265 0.000 1.210 332 K CA -0.431 55.966 56.287 0.183 0.000 1.003 332 K CB 1.211 33.822 32.500 0.185 0.000 1.009 332 K HN 0.260 nan 8.250 nan 0.000 0.577 333 A N 1.940 124.887 122.820 0.212 0.000 2.448 333 A HA 0.458 4.786 4.320 0.013 0.000 0.239 333 A C -0.117 177.612 177.584 0.243 0.000 1.080 333 A CA 0.245 52.371 52.037 0.148 0.000 0.779 333 A CB -0.288 18.781 19.000 0.116 0.000 1.026 333 A HN 0.316 nan 8.150 nan 0.000 0.499 334 F N -1.188 118.819 119.950 0.096 0.000 2.744 334 F HA 0.557 5.091 4.527 0.012 0.000 0.311 334 F C -0.994 174.882 175.800 0.127 0.000 1.144 334 F CA -1.139 56.907 58.000 0.076 0.000 0.938 334 F CB 1.002 39.991 39.000 -0.018 0.000 1.292 334 F HN 0.690 nan 8.300 nan 0.000 0.444 335 V N 2.204 122.311 119.914 0.321 0.000 2.513 335 V HA 0.763 4.890 4.120 0.013 0.000 0.299 335 V C -2.209 174.171 176.094 0.477 0.000 1.035 335 V CA -0.631 61.824 62.300 0.258 0.000 0.889 335 V CB 1.697 33.573 31.823 0.088 0.000 0.988 335 V HN 1.033 nan 8.190 nan 0.000 0.440 336 Y N 4.347 124.839 120.300 0.319 0.000 2.386 336 Y HA 0.457 5.016 4.550 0.014 0.000 0.334 336 Y C 0.226 176.223 175.900 0.161 0.000 1.002 336 Y CA -0.631 57.623 58.100 0.257 0.000 1.068 336 Y CB 1.572 40.209 38.460 0.295 0.000 1.203 336 Y HN 0.931 nan 8.280 nan 0.000 0.443 337 E N 5.122 125.085 120.200 -0.395 0.000 2.197 337 E HA -0.402 3.955 4.350 0.013 0.000 0.184 337 E C 0.067 176.595 176.600 -0.121 0.000 1.439 337 E CA 1.451 57.666 56.400 -0.309 0.000 0.688 337 E CB -1.266 28.181 29.700 -0.422 0.000 1.090 337 E HN 1.006 nan 8.360 nan 0.000 0.341 338 N N -2.741 115.908 118.700 -0.085 0.000 2.972 338 N HA -0.208 4.540 4.740 0.013 0.000 0.225 338 N C -0.296 175.121 175.510 -0.155 0.000 0.883 338 N CA 1.224 54.219 53.050 -0.092 0.000 1.010 338 N CB -0.420 38.016 38.487 -0.085 0.000 1.052 338 N HN 0.205 nan 8.380 nan 0.000 0.598 339 V N 1.738 121.556 119.914 -0.160 0.000 2.439 339 V HA 0.416 4.544 4.120 0.013 0.000 0.282 339 V C 0.462 176.308 176.094 -0.413 0.000 1.039 339 V CA -0.445 61.636 62.300 -0.365 0.000 0.913 339 V CB 1.458 32.991 31.823 -0.483 0.000 0.983 339 V HN 0.093 nan 8.190 nan 0.000 0.460 340 I N 5.287 125.502 120.570 -0.590 0.000 2.325 340 I HA 0.340 4.518 4.170 0.013 0.000 0.291 340 I C -0.835 174.885 176.117 -0.662 0.000 1.019 340 I CA -0.238 60.743 61.300 -0.531 0.000 1.302 340 I CB 0.540 38.176 38.000 -0.606 0.000 1.401 340 I HN 0.487 nan 8.210 nan 0.000 0.485 341 Y N 4.456 124.387 120.300 -0.615 0.000 2.360 341 Y HA 0.590 5.147 4.550 0.012 0.000 0.337 341 Y C 0.391 176.068 175.900 -0.371 0.000 1.039 341 Y CA -0.782 56.882 58.100 -0.725 0.000 1.109 341 Y CB 1.894 39.457 38.460 -1.496 0.000 1.201 341 Y HN 0.582 nan 8.280 nan 0.000 0.458 342 A N 5.706 128.558 122.820 0.054 0.000 2.938 342 A HA 0.543 4.871 4.320 0.013 0.000 0.344 342 A C -2.897 174.890 177.584 0.338 0.000 1.142 342 A CA -1.762 50.360 52.037 0.141 0.000 0.841 342 A CB -0.256 18.761 19.000 0.028 0.000 1.083 342 A HN 0.402 nan 8.150 nan 0.000 0.479 343 P HA 0.439 nan 4.420 nan 0.000 0.272 343 P C -0.589 176.969 177.300 0.430 0.000 1.230 343 P CA 0.344 63.705 63.100 0.436 0.000 0.788 343 P CB 0.289 32.220 31.700 0.385 0.000 0.949 344 Y N -1.886 118.525 120.300 0.185 0.000 2.953 344 Y HA 0.682 5.240 4.550 0.013 0.000 0.321 344 Y C -1.525 174.467 175.900 0.152 0.000 1.514 344 Y CA -1.352 56.851 58.100 0.171 0.000 1.091 344 Y CB 0.740 39.293 38.460 0.154 0.000 1.700 344 Y HN 0.058 nan 8.280 nan 0.000 0.436 345 M N 1.461 121.291 119.600 0.384 0.000 2.326 345 M HA 0.587 5.075 4.480 0.013 0.000 0.306 345 M C -0.562 176.031 176.300 0.489 0.000 1.054 345 M CA -0.776 54.634 55.300 0.183 0.000 0.922 345 M CB 2.439 35.054 32.600 0.026 0.000 1.632 345 M HN 0.917 nan 8.290 nan 0.000 0.436 346 G N 1.630 110.571 108.800 0.234 0.000 2.415 346 G HA2 0.613 4.581 3.960 0.013 0.000 0.317 346 G HA3 0.613 4.581 3.960 0.013 0.000 0.317 346 G C -0.317 174.659 174.900 0.127 0.000 1.152 346 G CA -0.287 45.020 45.100 0.345 0.000 0.956 346 G HN 0.784 nan 8.290 nan 0.000 0.458 347 S N 0.862 116.755 115.700 0.322 0.000 3.137 347 S HA 0.627 5.104 4.470 0.013 0.000 0.292 347 S C 0.347 175.176 174.600 0.381 0.000 1.041 347 S CA 0.143 58.475 58.200 0.220 0.000 0.956 347 S CB 1.769 65.017 63.200 0.081 0.000 1.360 347 S HN 0.427 nan 8.310 nan 0.000 0.690 348 D N -0.520 119.996 120.400 0.193 0.000 2.500 348 D HA 0.242 4.890 4.640 0.013 0.000 0.217 348 D C 0.512 176.673 176.300 -0.232 0.000 1.159 348 D CA -0.233 53.808 54.000 0.068 0.000 0.828 348 D CB 0.158 41.091 40.800 0.221 0.000 1.039 348 D HN 0.780 nan 8.370 nan 0.000 0.512 349 R N -1.532 118.844 120.500 -0.207 0.000 2.789 349 R HA 0.217 4.565 4.340 0.013 0.000 0.279 349 R C -1.466 174.687 176.300 -0.246 0.000 1.010 349 R CA -0.726 55.195 56.100 -0.299 0.000 0.855 349 R CB -0.259 29.979 30.300 -0.104 0.000 1.312 349 R HN -0.199 nan 8.270 nan 0.000 0.479 350 H N -0.105 118.805 119.070 -0.267 0.000 3.513 350 H HA 0.449 5.013 4.556 0.013 0.000 0.253 350 H C 0.283 175.525 175.328 -0.144 0.000 1.514 350 H CA 1.799 57.806 56.048 -0.068 0.000 1.565 350 H CB 0.030 29.820 29.762 0.047 0.000 1.776 350 H HN 0.821 nan 8.280 nan 0.000 0.562 351 G N -0.532 108.144 108.800 -0.205 0.000 2.315 351 G HA2 0.131 4.099 3.960 0.013 0.000 0.294 351 G HA3 0.131 4.099 3.960 0.013 0.000 0.294 351 G C 0.178 174.969 174.900 -0.181 0.000 1.300 351 G CA -0.241 44.757 45.100 -0.170 0.000 0.843 351 G HN 0.447 nan 8.290 nan 0.000 0.527 352 V N -1.751 118.087 119.914 -0.127 0.000 3.649 352 V HA 0.458 4.586 4.120 0.013 0.000 0.275 352 V C 1.272 177.357 176.094 -0.015 0.000 1.281 352 V CA 1.016 63.262 62.300 -0.091 0.000 1.143 352 V CB -0.028 31.740 31.823 -0.091 0.000 0.892 352 V HN 1.303 nan 8.190 nan 0.000 0.441 353 S N 1.471 117.174 115.700 0.006 0.000 2.537 353 S HA 0.249 4.727 4.470 0.013 0.000 0.286 353 S C 1.110 175.783 174.600 0.122 0.000 1.299 353 S CA 0.370 58.634 58.200 0.107 0.000 1.067 353 S CB -0.353 62.881 63.200 0.057 0.000 0.864 353 S HN 0.729 nan 8.310 nan 0.000 0.494 354 R N -0.416 120.197 120.500 0.189 0.000 4.000 354 R HA -0.211 4.137 4.340 0.013 0.000 0.348 354 R C -0.204 175.980 176.300 -0.193 0.000 1.204 354 R CA 0.935 57.048 56.100 0.021 0.000 0.987 354 R CB -2.062 28.378 30.300 0.234 0.000 1.446 354 R HN 0.596 nan 8.270 nan 0.000 0.555 355 L N 0.899 121.972 121.223 -0.250 0.000 2.350 355 L HA 0.374 4.722 4.340 0.013 0.000 0.275 355 L C -0.150 176.368 176.870 -0.587 0.000 1.099 355 L CA 0.023 54.677 54.840 -0.310 0.000 0.808 355 L CB 0.819 42.772 42.059 -0.177 0.000 1.149 355 L HN 0.019 nan 8.230 nan 0.000 0.442 356 H N 3.717 122.503 119.070 -0.474 0.000 2.589 356 H HA 0.392 4.956 4.556 0.013 0.000 0.351 356 H C -0.904 174.191 175.328 -0.387 0.000 1.074 356 H CA -0.774 54.939 56.048 -0.559 0.000 1.203 356 H CB 2.101 31.197 29.762 -1.110 0.000 1.558 356 H HN 0.533 nan 8.280 nan 0.000 0.522 357 V N 3.435 123.230 119.914 -0.197 0.000 2.529 357 V HA 0.093 4.220 4.120 0.013 0.000 0.292 357 V C 0.414 176.362 176.094 -0.244 0.000 1.028 357 V CA 0.453 62.615 62.300 -0.230 0.000 1.074 357 V CB 0.629 32.307 31.823 -0.242 0.000 0.958 357 V HN 0.744 nan 8.190 nan 0.000 0.481 358 S N 3.482 118.947 115.700 -0.392 0.000 2.697 358 S HA 0.866 5.343 4.470 0.013 0.000 0.289 358 S C -1.264 173.168 174.600 -0.279 0.000 1.149 358 S CA -0.700 57.249 58.200 -0.419 0.000 0.850 358 S CB 2.270 65.097 63.200 -0.621 0.000 1.151 358 S HN 0.888 nan 8.310 nan 0.000 0.491 359 W N 0.167 121.422 121.300 -0.075 0.000 3.137 359 W HA 0.761 5.430 4.660 0.013 0.000 0.324 359 W C -1.714 174.967 176.519 0.271 0.000 1.253 359 W CA -1.488 55.946 57.345 0.149 0.000 1.183 359 W CB -0.374 29.181 29.460 0.158 0.000 1.424 359 W HN 0.650 nan 8.180 nan 0.000 0.566 360 V N -0.240 120.016 119.914 0.570 0.000 2.960 360 V HA 0.835 4.963 4.120 0.013 0.000 0.315 360 V C -0.511 175.701 176.094 0.196 0.000 1.087 360 V CA -1.606 60.904 62.300 0.351 0.000 0.982 360 V CB 1.747 33.748 31.823 0.296 0.000 1.039 360 V HN 0.635 nan 8.190 nan 0.000 0.437 361 K N 1.175 121.587 120.400 0.021 0.000 2.443 361 K HA 0.741 5.069 4.320 0.013 0.000 0.251 361 K C -1.000 175.238 176.600 -0.603 0.000 0.972 361 K CA -0.592 55.440 56.287 -0.426 0.000 0.833 361 K CB 2.216 34.248 32.500 -0.781 0.000 1.317 361 K HN 0.772 nan 8.250 nan 0.000 0.441 362 S N -0.173 114.863 115.700 -1.108 0.000 2.519 362 S HA 0.452 4.930 4.470 0.013 0.000 0.309 362 S C 0.363 174.482 174.600 -0.800 0.000 1.100 362 S CA -0.592 56.843 58.200 -1.276 0.000 1.059 362 S CB 1.108 62.990 63.200 -2.197 0.000 1.008 362 S HN 0.787 nan 8.310 nan 0.000 0.478 363 G N 2.068 110.530 108.800 -0.563 0.000 3.189 363 G HA2 0.173 4.140 3.960 0.013 0.000 0.225 363 G HA3 0.173 4.140 3.960 0.013 0.000 0.225 363 G C -0.045 174.682 174.900 -0.289 0.000 1.159 363 G CA -0.068 44.807 45.100 -0.373 0.000 0.763 363 G HN 0.793 nan 8.290 nan 0.000 0.549 364 D N -0.877 119.317 120.400 -0.343 0.000 2.837 364 D HA 0.139 4.786 4.640 0.013 0.000 0.340 364 D C -0.146 176.005 176.300 -0.248 0.000 1.451 364 D CA -0.714 53.164 54.000 -0.203 0.000 0.798 364 D CB -0.251 40.520 40.800 -0.047 0.000 1.169 364 D HN -0.006 nan 8.370 nan 0.000 0.449 365 D N 0.420 120.635 120.400 -0.309 0.000 2.800 365 D HA -0.124 4.524 4.640 0.013 0.000 0.232 365 D C 1.289 177.419 176.300 -0.283 0.000 1.137 365 D CA 1.431 55.286 54.000 -0.241 0.000 0.718 365 D CB -1.482 39.263 40.800 -0.092 0.000 1.084 365 D HN 0.752 nan 8.370 nan 0.000 0.432 366 G N -0.447 108.005 108.800 -0.579 0.000 2.175 366 G HA2 -0.398 3.570 3.960 0.013 0.000 0.244 366 G HA3 -0.398 3.570 3.960 0.013 0.000 0.244 366 G C 0.915 175.300 174.900 -0.858 0.000 0.982 366 G CA 0.615 45.342 45.100 -0.622 0.000 0.641 366 G HN 0.475 nan 8.290 nan 0.000 0.527 367 Q N -0.636 118.761 119.800 -0.672 0.000 2.172 367 Q HA 0.109 4.456 4.340 0.013 0.000 0.200 367 Q C 0.781 176.618 176.000 -0.271 0.000 0.964 367 Q CA 1.501 57.005 55.803 -0.499 0.000 0.855 367 Q CB 0.275 28.743 28.738 -0.450 0.000 0.918 367 Q HN 0.426 nan 8.270 nan 0.000 0.444 368 T N -0.683 113.647 114.554 -0.374 0.000 2.923 368 T HA 0.432 4.790 4.350 0.013 0.000 0.311 368 T C -2.053 172.345 174.700 -0.503 0.000 1.183 368 T CA -0.602 61.389 62.100 -0.183 0.000 1.020 368 T CB 0.956 69.838 68.868 0.024 0.000 1.165 368 T HN 0.101 nan 8.240 nan 0.000 0.482 369 W N 1.601 122.793 121.300 -0.181 0.000 2.882 369 W HA 0.640 5.309 4.660 0.015 0.000 0.345 369 W C 0.397 176.836 176.519 -0.133 0.000 1.125 369 W CA -0.712 56.523 57.345 -0.183 0.000 1.167 369 W CB 1.300 30.643 29.460 -0.195 0.000 1.431 369 W HN 0.690 nan 8.180 nan 0.000 0.543 370 S N -0.395 115.363 115.700 0.096 0.000 2.693 370 S HA 0.536 5.014 4.470 0.013 0.000 0.276 370 S C -0.058 174.592 174.600 0.082 0.000 1.192 370 S CA -0.692 57.531 58.200 0.037 0.000 0.994 370 S CB 0.818 64.009 63.200 -0.015 0.000 1.012 370 S HN 0.337 nan 8.310 nan 0.000 0.550 371 T N 3.773 118.358 114.554 0.051 0.000 2.867 371 T HA 0.246 4.603 4.350 0.013 0.000 0.297 371 T C -2.337 172.417 174.700 0.090 0.000 0.989 371 T CA -0.264 61.864 62.100 0.046 0.000 1.159 371 T CB -0.300 68.569 68.868 0.001 0.000 0.928 371 T HN 0.510 nan 8.240 nan 0.000 0.538 372 P HA 0.064 nan 4.420 nan 0.000 0.263 372 P C -0.264 177.076 177.300 0.068 0.000 1.175 372 P CA 0.127 63.340 63.100 0.189 0.000 0.761 372 P CB 0.395 32.228 31.700 0.221 0.000 0.794 373 E N 2.865 123.157 120.200 0.153 0.000 2.210 373 E HA 0.238 4.596 4.350 0.013 0.000 0.266 373 E C -1.132 175.492 176.600 0.040 0.000 0.883 373 E CA -0.868 55.559 56.400 0.045 0.000 0.761 373 E CB 0.679 30.495 29.700 0.193 0.000 1.156 373 E HN 0.215 nan 8.360 nan 0.000 0.412 374 W N 5.477 126.698 121.300 -0.132 0.000 2.304 374 W HA 0.215 4.882 4.660 0.013 0.000 0.313 374 W C 0.648 177.090 176.519 -0.128 0.000 1.323 374 W CA -0.681 56.551 57.345 -0.188 0.000 1.223 374 W CB 0.469 29.761 29.460 -0.279 0.000 1.237 374 W HN 0.722 nan 8.180 nan 0.000 0.535 375 L N 2.242 123.490 121.223 0.042 0.000 2.357 375 L HA 0.046 4.394 4.340 0.013 0.000 0.211 375 L C 1.226 178.174 176.870 0.129 0.000 1.075 375 L CA 0.860 55.713 54.840 0.021 0.000 0.830 375 L CB -0.343 41.610 42.059 -0.176 0.000 0.996 375 L HN 0.308 nan 8.230 nan 0.000 0.467 376 T N -3.917 110.663 114.554 0.042 0.000 2.924 376 T HA 0.423 4.781 4.350 0.013 0.000 0.291 376 T C -0.575 174.220 174.700 0.158 0.000 1.045 376 T CA -0.935 61.178 62.100 0.021 0.000 1.015 376 T CB 2.537 71.273 68.868 -0.220 0.000 1.103 376 T HN -0.206 nan 8.240 nan 0.000 0.496 377 D N 0.732 121.238 120.400 0.177 0.000 2.340 377 D HA 0.381 5.029 4.640 0.013 0.000 0.251 377 D C 0.463 176.789 176.300 0.042 0.000 1.080 377 D CA -0.524 53.574 54.000 0.162 0.000 0.971 377 D CB 1.015 41.914 40.800 0.164 0.000 1.137 377 D HN 0.501 nan 8.370 nan 0.000 0.475 378 L N 1.348 122.466 121.223 -0.174 0.000 2.485 378 L HA -0.006 4.342 4.340 0.013 0.000 0.275 378 L C 1.262 178.084 176.870 -0.081 0.000 1.207 378 L CA 0.092 54.732 54.840 -0.333 0.000 0.855 378 L CB 0.151 41.840 42.059 -0.616 0.000 1.114 378 L HN 0.325 nan 8.230 nan 0.000 0.485 379 H N 4.948 123.864 119.070 -0.257 0.000 2.897 379 H HA 0.018 4.582 4.556 0.013 0.000 0.347 379 H C -1.728 173.552 175.328 -0.080 0.000 1.068 379 H CA -1.255 54.592 56.048 -0.335 0.000 1.426 379 H CB 1.482 30.883 29.762 -0.602 0.000 1.410 379 H HN 0.358 nan 8.280 nan 0.000 0.597 380 P HA -0.111 nan 4.420 nan 0.000 0.219 380 P C 0.279 177.671 177.300 0.154 0.000 1.146 380 P CA 1.298 64.416 63.100 0.030 0.000 0.808 380 P CB 0.336 32.009 31.700 -0.045 0.000 0.779 381 D N -2.720 117.881 120.400 0.335 0.000 2.388 381 D HA 0.021 4.669 4.640 0.013 0.000 0.221 381 D C 0.224 176.568 176.300 0.074 0.000 1.133 381 D CA -0.372 53.725 54.000 0.162 0.000 0.831 381 D CB -0.565 40.289 40.800 0.090 0.000 0.962 381 D HN 0.192 nan 8.370 nan 0.000 0.502 382 Y N 3.266 123.562 120.300 -0.007 0.000 2.712 382 Y HA 0.025 4.583 4.550 0.013 0.000 0.333 382 Y C -1.215 174.662 175.900 -0.039 0.000 1.225 382 Y CA -0.807 57.256 58.100 -0.061 0.000 1.499 382 Y CB 0.852 39.276 38.460 -0.060 0.000 1.288 382 Y HN -0.052 nan 8.280 nan 0.000 0.575 383 P HA 0.149 nan 4.420 nan 0.000 0.254 383 P C 0.276 177.234 177.300 -0.570 0.000 1.620 383 P CA 0.119 62.565 63.100 -1.089 0.000 1.050 383 P CB 0.429 31.608 31.700 -0.869 0.000 1.539 384 T N -0.541 113.811 114.554 -0.337 0.000 2.809 384 T HA 0.049 4.407 4.350 0.013 0.000 0.260 384 T C 1.108 175.643 174.700 -0.274 0.000 1.039 384 T CA 1.121 63.072 62.100 -0.249 0.000 1.141 384 T CB -0.080 68.682 68.868 -0.176 0.000 0.869 384 T HN 0.153 nan 8.240 nan 0.000 0.437 385 V N -1.134 118.589 119.914 -0.320 0.000 3.130 385 V HA 0.725 4.853 4.120 0.013 0.000 0.310 385 V C -1.142 174.747 176.094 -0.342 0.000 1.158 385 V CA -1.272 60.801 62.300 -0.378 0.000 1.029 385 V CB 2.248 33.747 31.823 -0.540 0.000 1.057 385 V HN 0.308 nan 8.190 nan 0.000 0.436 386 N N -0.720 117.792 118.700 -0.314 0.000 2.825 386 N HA 0.545 5.293 4.740 0.013 0.000 0.253 386 N C -1.732 173.617 175.510 -0.268 0.000 1.426 386 N CA -0.687 52.221 53.050 -0.238 0.000 0.851 386 N CB 2.141 40.623 38.487 -0.008 0.000 1.470 386 N HN 0.707 nan 8.380 nan 0.000 0.517 387 Y N 0.679 120.944 120.300 -0.058 0.000 2.296 387 Y HA 0.310 4.868 4.550 0.014 0.000 0.343 387 Y C 0.611 176.448 175.900 -0.105 0.000 1.292 387 Y CA 0.280 58.305 58.100 -0.125 0.000 1.490 387 Y CB 0.355 38.676 38.460 -0.232 0.000 1.359 387 Y HN 0.346 nan 8.280 nan 0.000 0.599 388 H N -0.327 118.706 119.070 -0.062 0.000 3.094 388 H HA 0.397 4.961 4.556 0.013 0.000 0.335 388 H C -1.913 173.321 175.328 -0.157 0.000 1.254 388 H CA -0.894 55.066 56.048 -0.147 0.000 1.240 388 H CB 1.773 31.441 29.762 -0.156 0.000 1.936 388 H HN 0.818 nan 8.280 nan 0.000 0.536 389 C N 6.116 125.165 119.300 -0.419 0.000 2.947 389 C HA 0.419 4.887 4.460 0.013 0.000 0.401 389 C C -0.159 174.703 174.990 -0.214 0.000 1.019 389 C CA -0.378 58.503 59.018 -0.228 0.000 1.230 389 C CB 0.135 27.738 27.740 -0.228 0.000 1.644 389 C HN 0.930 nan 8.230 nan 0.000 0.523 390 M N 3.499 123.076 119.600 -0.039 0.000 2.416 390 M HA 0.253 4.741 4.480 0.013 0.000 0.337 390 M C 0.301 176.633 176.300 0.053 0.000 1.074 390 M CA 0.295 55.623 55.300 0.047 0.000 0.968 390 M CB 0.765 33.492 32.600 0.212 0.000 1.472 390 M HN 0.636 nan 8.290 nan 0.000 0.539 391 S N 1.707 117.451 115.700 0.073 0.000 2.647 391 S HA 0.792 5.270 4.470 0.013 0.000 0.300 391 S C -1.035 173.621 174.600 0.093 0.000 1.129 391 S CA -0.520 57.756 58.200 0.126 0.000 1.029 391 S CB 1.230 64.557 63.200 0.212 0.000 1.007 391 S HN 0.392 nan 8.310 nan 0.000 0.484 392 M N 4.718 124.349 119.600 0.052 0.000 2.414 392 M HA 0.664 5.152 4.480 0.013 0.000 0.287 392 M C -0.935 175.045 176.300 -0.533 0.000 1.181 392 M CA -0.081 55.136 55.300 -0.138 0.000 0.933 392 M CB 1.659 34.264 32.600 0.009 0.000 1.732 392 M HN 0.881 nan 8.290 nan 0.000 0.486 393 G N 1.585 109.665 108.800 -1.200 0.000 2.430 393 G HA2 0.568 4.536 3.960 0.013 0.000 0.300 393 G HA3 0.568 4.536 3.960 0.013 0.000 0.300 393 G C -2.372 171.660 174.900 -1.447 0.000 1.330 393 G CA -0.577 43.498 45.100 -1.709 0.000 0.813 393 G HN 0.632 nan 8.290 nan 0.000 0.487 394 V N -0.324 118.988 119.914 -1.004 0.000 2.448 394 V HA 0.613 4.741 4.120 0.013 0.000 0.295 394 V C -0.574 175.542 176.094 0.036 0.000 1.025 394 V CA -0.613 61.395 62.300 -0.487 0.000 0.859 394 V CB 1.257 32.725 31.823 -0.591 0.000 0.988 394 V HN 0.997 nan 8.190 nan 0.000 0.431 395 C N 6.413 125.903 119.300 0.317 0.000 2.397 395 C HA 0.675 5.143 4.460 0.013 0.000 0.325 395 C C 0.648 175.982 174.990 0.574 0.000 1.201 395 C CA -0.810 58.510 59.018 0.504 0.000 1.377 395 C CB 0.204 28.336 27.740 0.653 0.000 2.038 395 C HN 1.036 nan 8.230 nan 0.000 0.457 396 R N 4.385 125.098 120.500 0.355 0.000 3.251 396 R HA -0.218 4.130 4.340 0.013 0.000 0.249 396 R C 0.525 176.978 176.300 0.255 0.000 0.949 396 R CA 1.470 57.703 56.100 0.222 0.000 0.645 396 R CB -1.995 28.281 30.300 -0.041 0.000 1.065 396 R HN 1.092 nan 8.270 nan 0.000 0.452 397 N N -1.889 116.939 118.700 0.213 0.000 2.828 397 N HA -0.244 4.504 4.740 0.013 0.000 0.248 397 N C -0.794 174.687 175.510 -0.048 0.000 1.044 397 N CA 1.617 54.733 53.050 0.109 0.000 0.851 397 N CB -0.439 38.153 38.487 0.175 0.000 1.136 397 N HN 0.584 nan 8.380 nan 0.000 0.572 398 R N 0.319 120.824 120.500 0.008 0.000 2.637 398 R HA 0.526 4.874 4.340 0.013 0.000 0.291 398 R C -0.673 175.465 176.300 -0.270 0.000 0.963 398 R CA -1.025 54.958 56.100 -0.196 0.000 0.901 398 R CB 1.728 31.827 30.300 -0.336 0.000 1.160 398 R HN 0.040 nan 8.270 nan 0.000 0.457 399 L N 2.714 123.733 121.223 -0.340 0.000 2.331 399 L HA 0.372 4.720 4.340 0.013 0.000 0.278 399 L C -1.314 175.379 176.870 -0.295 0.000 1.106 399 L CA 0.448 55.101 54.840 -0.313 0.000 0.824 399 L CB 0.243 42.231 42.059 -0.119 0.000 1.142 399 L HN 0.407 nan 8.230 nan 0.000 0.443 400 F N 4.350 124.142 119.950 -0.262 0.000 2.495 400 F HA 0.782 5.316 4.527 0.012 0.000 0.327 400 F C 0.221 175.911 175.800 -0.184 0.000 1.103 400 F CA -0.298 57.609 58.000 -0.154 0.000 0.949 400 F CB 1.968 40.817 39.000 -0.252 0.000 1.142 400 F HN 0.627 nan 8.300 nan 0.000 0.457 401 A N 3.321 126.213 122.820 0.120 0.000 2.515 401 A HA 0.752 5.080 4.320 0.013 0.000 0.298 401 A C -1.433 176.128 177.584 -0.038 0.000 1.059 401 A CA -0.772 51.265 52.037 0.000 0.000 0.698 401 A CB 1.565 20.524 19.000 -0.069 0.000 1.289 401 A HN 0.716 nan 8.150 nan 0.000 0.404 402 M N 3.535 123.110 119.600 -0.041 0.000 2.151 402 M HA 0.417 4.905 4.480 0.013 0.000 0.349 402 M C -1.263 174.909 176.300 -0.214 0.000 1.284 402 M CA -0.452 54.806 55.300 -0.070 0.000 1.173 402 M CB -0.255 32.377 32.600 0.053 0.000 1.469 402 M HN 0.463 nan 8.290 nan 0.000 0.439 403 I N 5.101 125.393 120.570 -0.463 0.000 2.312 403 I HA 0.240 4.417 4.170 0.013 0.000 0.291 403 I C 0.104 176.015 176.117 -0.343 0.000 1.031 403 I CA -0.052 60.840 61.300 -0.681 0.000 1.293 403 I CB 0.312 37.279 38.000 -1.723 0.000 1.403 403 I HN 0.690 nan 8.210 nan 0.000 0.484 404 E N 4.155 124.273 120.200 -0.136 0.000 2.242 404 E HA 0.444 4.801 4.350 0.013 0.000 0.275 404 E C -0.494 176.133 176.600 0.045 0.000 1.002 404 E CA -0.616 55.773 56.400 -0.019 0.000 0.841 404 E CB 1.543 31.258 29.700 0.026 0.000 1.109 404 E HN 0.393 nan 8.360 nan 0.000 0.394 405 T N 2.719 117.279 114.554 0.010 0.000 2.771 405 T HA 0.435 4.793 4.350 0.013 0.000 0.281 405 T C -0.443 174.173 174.700 -0.139 0.000 0.982 405 T CA -0.731 61.329 62.100 -0.067 0.000 0.978 405 T CB 0.555 69.387 68.868 -0.060 0.000 0.930 405 T HN 0.330 nan 8.240 nan 0.000 0.447 406 R N 1.006 121.391 120.500 -0.191 0.000 2.795 406 R HA 0.627 4.975 4.340 0.013 0.000 0.275 406 R C -0.246 175.927 176.300 -0.213 0.000 0.981 406 R CA -1.160 54.819 56.100 -0.203 0.000 0.917 406 R CB 1.018 31.167 30.300 -0.251 0.000 1.202 406 R HN 0.652 nan 8.270 nan 0.000 0.469 407 T N -0.468 113.975 114.554 -0.185 0.000 2.919 407 T HA 0.132 4.490 4.350 0.013 0.000 0.302 407 T C 1.248 175.849 174.700 -0.165 0.000 1.031 407 T CA -0.612 61.382 62.100 -0.177 0.000 1.127 407 T CB 0.618 69.401 68.868 -0.141 0.000 0.952 407 T HN 0.383 nan 8.240 nan 0.000 0.540 408 L N 2.664 123.781 121.223 -0.176 0.000 2.083 408 L HA 0.037 4.385 4.340 0.013 0.000 0.209 408 L C 2.941 179.742 176.870 -0.115 0.000 1.083 408 L CA 2.082 56.831 54.840 -0.151 0.000 0.752 408 L CB -1.213 40.729 42.059 -0.195 0.000 0.899 408 L HN 0.976 nan 8.230 nan 0.000 0.433 409 A N -0.932 121.821 122.820 -0.111 0.000 1.902 409 A HA -0.191 4.136 4.320 0.013 0.000 0.217 409 A C 2.154 179.699 177.584 -0.065 0.000 1.181 409 A CA 1.931 53.919 52.037 -0.081 0.000 0.623 409 A CB -0.164 18.790 19.000 -0.076 0.000 0.818 409 A HN 0.415 nan 8.150 nan 0.000 0.443 410 K N -2.929 117.425 120.400 -0.076 0.000 2.554 410 K HA 0.108 4.436 4.320 0.013 0.000 0.211 410 K C 0.037 176.589 176.600 -0.080 0.000 1.226 410 K CA 0.200 56.449 56.287 -0.063 0.000 1.025 410 K CB 0.739 33.207 32.500 -0.054 0.000 1.021 410 K HN 0.288 nan 8.250 nan 0.000 0.600 411 N N 1.225 119.859 118.700 -0.110 0.000 2.714 411 N HA -0.181 4.567 4.740 0.013 0.000 0.250 411 N C -0.854 174.562 175.510 -0.156 0.000 1.117 411 N CA 0.866 53.825 53.050 -0.151 0.000 0.719 411 N CB -1.007 37.391 38.487 -0.148 0.000 1.081 411 N HN 0.368 nan 8.380 nan 0.000 0.557 412 A N 0.272 123.016 122.820 -0.127 0.000 2.409 412 A HA 0.434 4.762 4.320 0.013 0.000 0.262 412 A C 0.550 178.057 177.584 -0.129 0.000 1.113 412 A CA -0.392 51.578 52.037 -0.111 0.000 0.790 412 A CB 0.411 19.361 19.000 -0.084 0.000 1.046 412 A HN 0.407 nan 8.150 nan 0.000 0.496 413 L N 2.836 123.988 121.223 -0.119 0.000 2.455 413 L HA 0.310 4.658 4.340 0.013 0.000 0.272 413 L C 1.052 177.872 176.870 -0.084 0.000 1.174 413 L CA 1.328 56.101 54.840 -0.111 0.000 0.869 413 L CB 0.777 42.783 42.059 -0.088 0.000 1.130 413 L HN 0.779 nan 8.230 nan 0.000 0.474 414 T N 3.786 118.289 114.554 -0.084 0.000 2.989 414 T HA 0.232 4.590 4.350 0.013 0.000 0.250 414 T C 0.099 174.776 174.700 -0.040 0.000 0.981 414 T CA 0.005 62.062 62.100 -0.071 0.000 0.980 414 T CB -0.029 68.775 68.868 -0.106 0.000 1.133 414 T HN 0.688 nan 8.240 nan 0.000 0.489 415 N N -0.238 118.445 118.700 -0.029 0.000 2.636 415 N HA 0.278 5.026 4.740 0.013 0.000 0.261 415 N C -2.011 173.502 175.510 0.005 0.000 1.195 415 N CA -0.345 52.707 53.050 0.005 0.000 0.902 415 N CB 1.776 40.289 38.487 0.043 0.000 1.627 415 N HN 0.086 nan 8.380 nan 0.000 0.491 416 C N 1.710 121.014 119.300 0.007 0.000 2.379 416 C HA 0.935 5.402 4.460 0.013 0.000 0.323 416 C C 0.007 175.012 174.990 0.024 0.000 1.262 416 C CA -0.275 58.741 59.018 -0.004 0.000 1.581 416 C CB 0.255 27.974 27.740 -0.034 0.000 2.221 416 C HN 0.713 nan 8.230 nan 0.000 0.497 417 A N 2.724 125.550 122.820 0.009 0.000 2.422 417 A HA 0.771 5.099 4.320 0.013 0.000 0.302 417 A C -1.349 176.279 177.584 0.074 0.000 1.041 417 A CA -0.449 51.645 52.037 0.095 0.000 0.708 417 A CB 0.972 20.121 19.000 0.249 0.000 1.257 417 A HN 0.846 nan 8.150 nan 0.000 0.414 418 L N 2.344 123.670 121.223 0.172 0.000 2.260 418 L HA 0.686 5.033 4.340 0.013 0.000 0.289 418 L C -1.461 175.635 176.870 0.377 0.000 1.057 418 L CA -0.088 54.862 54.840 0.182 0.000 0.811 418 L CB 0.097 42.222 42.059 0.109 0.000 1.184 418 L HN 0.640 nan 8.230 nan 0.000 0.429 419 W N 3.944 125.192 121.300 -0.087 0.000 2.520 419 W HA 0.516 5.184 4.660 0.013 0.000 0.323 419 W C -0.461 176.086 176.519 0.047 0.000 1.062 419 W CA -1.126 56.151 57.345 -0.113 0.000 1.215 419 W CB 1.347 30.487 29.460 -0.533 0.000 1.340 419 W HN 0.676 nan 8.180 nan 0.000 0.516 420 D N 0.717 121.279 120.400 0.270 0.000 2.596 420 D HA 0.787 5.434 4.640 0.013 0.000 0.234 420 D C -0.992 175.243 176.300 -0.109 0.000 1.181 420 D CA -1.033 52.916 54.000 -0.085 0.000 0.856 420 D CB 2.119 42.377 40.800 -0.904 0.000 1.498 420 D HN 0.274 nan 8.370 nan 0.000 0.446 421 R N 0.188 120.475 120.500 -0.356 0.000 2.594 421 R HA 0.386 4.734 4.340 0.013 0.000 0.265 421 R C -2.921 173.149 176.300 -0.382 0.000 1.070 421 R CA -1.974 53.808 56.100 -0.531 0.000 0.909 421 R CB 2.303 31.922 30.300 -1.136 0.000 1.243 421 R HN 0.430 nan 8.270 nan 0.000 0.455 422 P HA 0.082 nan 4.420 nan 0.000 0.271 422 P C -0.518 176.720 177.300 -0.103 0.000 1.218 422 P CA -0.136 62.838 63.100 -0.210 0.000 0.780 422 P CB 0.623 32.215 31.700 -0.181 0.000 0.901 423 M N 1.107 120.639 119.600 -0.114 0.000 2.249 423 M HA 0.156 4.644 4.480 0.013 0.000 0.351 423 M C 0.552 176.887 176.300 0.059 0.000 1.180 423 M CA -0.002 55.241 55.300 -0.095 0.000 1.127 423 M CB 0.182 32.470 32.600 -0.521 0.000 1.546 423 M HN 0.259 nan 8.290 nan 0.000 0.461 424 S N 4.093 119.866 115.700 0.121 0.000 2.533 424 S HA 0.480 4.958 4.470 0.013 0.000 0.282 424 S C -0.067 174.643 174.600 0.184 0.000 1.304 424 S CA -0.521 57.763 58.200 0.140 0.000 1.063 424 S CB 0.307 63.596 63.200 0.150 0.000 0.881 424 S HN 0.548 nan 8.310 nan 0.000 0.493 425 R N 1.202 121.780 120.500 0.130 0.000 2.707 425 R HA 0.585 4.933 4.340 0.013 0.000 0.272 425 R C -1.377 174.933 176.300 0.017 0.000 1.011 425 R CA -0.694 55.463 56.100 0.095 0.000 0.893 425 R CB 1.461 31.827 30.300 0.109 0.000 1.233 425 R HN 0.454 nan 8.270 nan 0.000 0.464 426 S N 1.710 117.385 115.700 -0.041 0.000 2.437 426 S HA 0.518 4.996 4.470 0.013 0.000 0.305 426 S C -0.633 173.739 174.600 -0.380 0.000 1.109 426 S CA -0.763 57.331 58.200 -0.176 0.000 1.099 426 S CB 0.579 63.708 63.200 -0.118 0.000 1.004 426 S HN 0.279 nan 8.310 nan 0.000 0.475 427 L N 4.468 125.426 121.223 -0.443 0.000 2.329 427 L HA 0.520 4.868 4.340 0.013 0.000 0.279 427 L C -0.399 176.091 176.870 -0.634 0.000 1.014 427 L CA -0.781 53.777 54.840 -0.470 0.000 0.814 427 L CB 1.173 43.070 42.059 -0.269 0.000 1.257 427 L HN 0.616 nan 8.230 nan 0.000 0.424 428 H N 5.166 124.168 119.070 -0.113 0.000 2.673 428 H HA 0.496 5.059 4.556 0.011 0.000 0.293 428 H C -0.640 174.511 175.328 -0.295 0.000 1.065 428 H CA -0.387 55.583 56.048 -0.130 0.000 1.236 428 H CB 1.296 31.091 29.762 0.055 0.000 1.389 428 H HN 0.390 nan 8.280 nan 0.000 0.481 429 L N 1.473 122.375 121.223 -0.536 0.000 2.286 429 L HA 0.547 4.895 4.340 0.013 0.000 0.265 429 L C 0.274 176.887 176.870 -0.429 0.000 1.012 429 L CA -0.790 53.712 54.840 -0.564 0.000 0.818 429 L CB 2.124 43.608 42.059 -0.959 0.000 1.337 429 L HN 0.381 nan 8.230 nan 0.000 0.438 430 T N 0.275 114.753 114.554 -0.126 0.000 2.879 430 T HA 0.593 4.951 4.350 0.013 0.000 0.290 430 T C 0.094 174.947 174.700 0.255 0.000 0.993 430 T CA 0.125 62.275 62.100 0.084 0.000 0.975 430 T CB 1.642 70.539 68.868 0.049 0.000 0.981 430 T HN 1.044 nan 8.240 nan 0.000 0.439 431 G N 1.974 111.004 108.800 0.383 0.000 2.633 431 G HA2 0.180 4.148 3.960 0.013 0.000 0.263 431 G HA3 0.180 4.148 3.960 0.013 0.000 0.263 431 G C 0.837 175.973 174.900 0.392 0.000 1.310 431 G CA 0.479 45.754 45.100 0.292 0.000 0.914 431 G HN 2.117 nan 8.290 nan 0.000 0.569 432 G N -2.181 106.730 108.800 0.185 0.000 2.157 432 G HA2 -0.053 3.914 3.960 0.013 0.000 0.239 432 G HA3 -0.053 3.914 3.960 0.013 0.000 0.239 432 G C 0.208 175.147 174.900 0.066 0.000 0.982 432 G CA 0.761 45.972 45.100 0.185 0.000 0.650 432 G HN 1.535 nan 8.290 nan 0.000 0.527 433 I N 2.091 122.616 120.570 -0.076 0.000 2.410 433 I HA 0.511 4.689 4.170 0.013 0.000 0.286 433 I C 0.272 176.288 176.117 -0.168 0.000 1.009 433 I CA -0.359 60.812 61.300 -0.215 0.000 1.111 433 I CB 2.072 39.791 38.000 -0.467 0.000 1.262 433 I HN 0.225 nan 8.210 nan 0.000 0.443 434 T N 2.283 116.754 114.554 -0.138 0.000 2.863 434 T HA 0.559 4.917 4.350 0.013 0.000 0.285 434 T C -0.653 173.981 174.700 -0.110 0.000 1.009 434 T CA -0.966 61.071 62.100 -0.105 0.000 0.989 434 T CB 2.301 71.129 68.868 -0.067 0.000 1.004 434 T HN 0.521 nan 8.240 nan 0.000 0.455 435 K N 1.708 122.051 120.400 -0.095 0.000 2.656 435 K HA 0.626 4.953 4.320 0.013 0.000 0.241 435 K C -0.210 176.358 176.600 -0.054 0.000 0.967 435 K CA -0.677 55.562 56.287 -0.080 0.000 0.946 435 K CB 1.160 33.596 32.500 -0.107 0.000 1.164 435 K HN 0.943 nan 8.250 nan 0.000 0.459 436 A N 2.686 125.487 122.820 -0.033 0.000 2.425 436 A HA 0.512 4.840 4.320 0.013 0.000 0.242 436 A C 0.165 177.737 177.584 -0.021 0.000 1.077 436 A CA 0.025 52.049 52.037 -0.023 0.000 0.781 436 A CB 0.349 19.343 19.000 -0.011 0.000 1.020 436 A HN 0.840 nan 8.150 nan 0.000 0.494 437 A N 1.847 124.655 122.820 -0.020 0.000 2.386 437 A HA 0.466 4.794 4.320 0.013 0.000 0.248 437 A C 0.863 178.440 177.584 -0.012 0.000 1.082 437 A CA 0.160 52.185 52.037 -0.020 0.000 0.789 437 A CB -0.221 18.767 19.000 -0.020 0.000 1.025 437 A HN 1.355 nan 8.150 nan 0.000 0.490 438 N N -1.294 117.397 118.700 -0.015 0.000 2.800 438 N HA -0.186 4.561 4.740 0.013 0.000 0.250 438 N C -0.234 175.276 175.510 0.000 0.000 1.078 438 N CA 1.799 54.843 53.050 -0.009 0.000 0.804 438 N CB -1.649 36.835 38.487 -0.006 0.000 1.135 438 N HN 1.011 nan 8.380 nan 0.000 0.565 439 Q N -1.791 118.011 119.800 0.003 0.000 2.648 439 Q HA 0.623 4.971 4.340 0.013 0.000 0.300 439 Q C 0.123 176.122 176.000 -0.003 0.000 0.954 439 Q CA -0.829 54.989 55.803 0.024 0.000 0.757 439 Q CB 0.719 29.505 28.738 0.079 0.000 1.482 439 Q HN -0.008 nan 8.270 nan 0.000 0.437 440 R N -0.886 119.596 120.500 -0.031 0.000 2.365 440 R HA 0.295 4.643 4.340 0.013 0.000 0.223 440 R C -0.389 175.790 176.300 -0.202 0.000 0.899 440 R CA -0.014 55.996 56.100 -0.149 0.000 1.059 440 R CB 0.475 30.637 30.300 -0.230 0.000 1.086 440 R HN 0.497 nan 8.270 nan 0.000 0.522 441 Y N 0.700 120.966 120.300 -0.058 0.000 2.319 441 Y HA 0.397 4.955 4.550 0.012 0.000 0.328 441 Y C 0.446 176.289 175.900 -0.096 0.000 1.133 441 Y CA -0.710 57.351 58.100 -0.065 0.000 1.265 441 Y CB 1.142 39.578 38.460 -0.040 0.000 1.218 441 Y HN -0.026 nan 8.280 nan 0.000 0.508 442 A N 1.862 124.685 122.820 0.005 0.000 2.365 442 A HA 0.686 5.014 4.320 0.013 0.000 0.318 442 A C -0.289 177.222 177.584 -0.121 0.000 1.091 442 A CA -0.675 51.305 52.037 -0.095 0.000 0.763 442 A CB 0.843 19.721 19.000 -0.203 0.000 1.248 442 A HN 0.688 nan 8.150 nan 0.000 0.442 443 T N 0.267 114.739 114.554 -0.137 0.000 2.859 443 T HA 0.682 5.040 4.350 0.013 0.000 0.281 443 T C -0.444 174.107 174.700 -0.250 0.000 1.005 443 T CA -0.585 61.411 62.100 -0.173 0.000 1.025 443 T CB 0.540 69.355 68.868 -0.088 0.000 0.977 443 T HN 0.408 nan 8.240 nan 0.000 0.458 444 I N 3.853 124.163 120.570 -0.434 0.000 2.389 444 I HA 0.275 4.453 4.170 0.013 0.000 0.288 444 I C 0.163 176.128 176.117 -0.252 0.000 0.999 444 I CA -0.819 60.220 61.300 -0.434 0.000 1.129 444 I CB 1.203 38.691 38.000 -0.854 0.000 1.288 444 I HN 0.874 nan 8.210 nan 0.000 0.444 445 H N 6.736 125.782 119.070 -0.040 0.000 2.820 445 H HA 0.499 5.062 4.556 0.012 0.000 0.278 445 H C -1.556 173.877 175.328 0.175 0.000 1.142 445 H CA -0.204 55.888 56.048 0.075 0.000 1.346 445 H CB 0.997 30.808 29.762 0.083 0.000 1.438 445 H HN 0.342 nan 8.280 nan 0.000 0.473 446 V N 8.200 128.090 119.914 -0.041 0.000 2.419 446 V HA 0.202 4.330 4.120 0.013 0.000 0.287 446 V C -2.330 173.774 176.094 0.017 0.000 1.017 446 V CA -1.814 60.531 62.300 0.075 0.000 0.844 446 V CB 1.531 33.549 31.823 0.324 0.000 1.011 446 V HN 0.740 nan 8.190 nan 0.000 0.429 447 P HA 0.092 nan 4.420 nan 0.000 0.262 447 P C -0.011 177.255 177.300 -0.058 0.000 1.182 447 P CA 0.510 63.546 63.100 -0.106 0.000 0.761 447 P CB 0.170 31.845 31.700 -0.041 0.000 0.795 448 D N 1.465 121.778 120.400 -0.144 0.000 2.686 448 D HA -0.219 4.429 4.640 0.013 0.000 0.235 448 D C 1.189 177.388 176.300 -0.168 0.000 1.160 448 D CA 0.781 54.653 54.000 -0.213 0.000 0.645 448 D CB -1.201 39.526 40.800 -0.121 0.000 1.039 448 D HN 0.718 nan 8.370 nan 0.000 0.423 449 H N -0.777 118.288 119.070 -0.009 0.000 2.456 449 H HA 0.035 4.598 4.556 0.012 0.000 0.296 449 H C 1.752 177.051 175.328 -0.049 0.000 1.079 449 H CA 1.167 57.220 56.048 0.007 0.000 1.322 449 H CB -0.172 29.639 29.762 0.082 0.000 1.388 449 H HN 0.406 nan 8.280 nan 0.000 0.538 450 G N 1.351 110.058 108.800 -0.155 0.000 2.225 450 G HA2 -0.272 3.696 3.960 0.013 0.000 0.267 450 G HA3 -0.272 3.696 3.960 0.013 0.000 0.267 450 G C -0.048 174.770 174.900 -0.137 0.000 1.024 450 G CA 0.548 45.640 45.100 -0.013 0.000 0.784 450 G HN 0.399 nan 8.290 nan 0.000 0.507 451 L N -1.058 120.195 121.223 0.049 0.000 2.344 451 L HA 0.833 5.181 4.340 0.013 0.000 0.272 451 L C 0.258 176.938 176.870 -0.316 0.000 1.035 451 L CA -1.199 53.491 54.840 -0.251 0.000 0.807 451 L CB 1.133 42.957 42.059 -0.392 0.000 1.237 451 L HN -0.014 nan 8.230 nan 0.000 0.442 452 F N -0.227 119.717 119.950 -0.009 0.000 2.594 452 F HA 0.444 4.979 4.527 0.015 0.000 0.335 452 F C 0.212 175.990 175.800 -0.037 0.000 1.058 452 F CA -1.136 56.867 58.000 0.006 0.000 0.981 452 F CB 1.174 40.170 39.000 -0.006 0.000 1.289 452 F HN -0.062 nan 8.300 nan 0.000 0.490 453 V N 1.715 121.762 119.914 0.222 0.000 2.644 453 V HA 0.295 4.423 4.120 0.013 0.000 0.305 453 V C 0.970 177.113 176.094 0.081 0.000 1.053 453 V CA 1.531 63.900 62.300 0.116 0.000 1.186 453 V CB -0.144 31.738 31.823 0.098 0.000 0.895 453 V HN 1.086 nan 8.190 nan 0.000 0.490 454 G N 3.663 112.492 108.800 0.048 0.000 2.213 454 G HA2 -0.194 3.774 3.960 0.013 0.000 0.236 454 G HA3 -0.194 3.774 3.960 0.013 0.000 0.236 454 G C -0.054 174.854 174.900 0.013 0.000 0.991 454 G CA 0.044 45.160 45.100 0.028 0.000 0.629 454 G HN 0.687 nan 8.290 nan 0.000 0.517 455 D N 0.015 120.411 120.400 -0.006 0.000 2.399 455 D HA 0.438 5.086 4.640 0.013 0.000 0.241 455 D C 0.431 176.735 176.300 0.006 0.000 1.133 455 D CA -0.320 53.662 54.000 -0.029 0.000 0.890 455 D CB 0.445 41.185 40.800 -0.101 0.000 1.201 455 D HN 0.190 nan 8.370 nan 0.000 0.432 456 F N 2.234 122.123 119.950 -0.102 0.000 2.495 456 F HA 0.280 4.815 4.527 0.012 0.000 0.365 456 F C -0.065 175.687 175.800 -0.081 0.000 1.090 456 F CA -0.221 57.740 58.000 -0.065 0.000 1.235 456 F CB 0.448 39.412 39.000 -0.060 0.000 1.119 456 F HN 0.068 nan 8.300 nan 0.000 0.562 457 V N 4.452 123.988 119.914 -0.631 0.000 2.808 457 V HA 0.472 4.600 4.120 0.013 0.000 0.308 457 V C -1.272 174.374 176.094 -0.747 0.000 1.099 457 V CA -0.983 61.020 62.300 -0.494 0.000 0.920 457 V CB 1.475 33.187 31.823 -0.185 0.000 1.014 457 V HN 0.890 nan 8.190 nan 0.000 0.425 458 N N 2.894 121.238 118.700 -0.594 0.000 2.269 458 N HA 0.623 5.371 4.740 0.013 0.000 0.304 458 N C -2.051 173.209 175.510 -0.417 0.000 1.072 458 N CA -0.389 52.460 53.050 -0.336 0.000 0.802 458 N CB 2.374 40.876 38.487 0.025 0.000 1.348 458 N HN 0.640 nan 8.380 nan 0.000 0.484 459 F N 0.589 120.600 119.950 0.101 0.000 2.520 459 F HA 0.438 4.971 4.527 0.010 0.000 0.322 459 F C 0.385 176.295 175.800 0.184 0.000 1.103 459 F CA -0.506 57.602 58.000 0.180 0.000 0.926 459 F CB 2.247 41.292 39.000 0.076 0.000 1.154 459 F HN 0.235 nan 8.300 nan 0.000 0.453 460 S N 1.981 117.940 115.700 0.433 0.000 2.548 460 S HA 0.357 4.835 4.470 0.013 0.000 0.286 460 S C -0.309 174.524 174.600 0.388 0.000 1.098 460 S CA -0.951 57.465 58.200 0.360 0.000 0.930 460 S CB 1.350 64.755 63.200 0.341 0.000 1.070 460 S HN 0.768 nan 8.310 nan 0.000 0.480 461 N N 0.822 119.680 118.700 0.263 0.000 2.714 461 N HA -0.188 4.560 4.740 0.013 0.000 0.250 461 N C 1.108 176.730 175.510 0.187 0.000 1.117 461 N CA 1.052 54.231 53.050 0.215 0.000 0.719 461 N CB -1.542 37.097 38.487 0.253 0.000 1.081 461 N HN 0.730 nan 8.380 nan 0.000 0.557 462 S N -0.241 115.524 115.700 0.108 0.000 2.423 462 S HA 0.158 4.636 4.470 0.013 0.000 0.231 462 S C 1.462 175.956 174.600 -0.176 0.000 1.014 462 S CA 1.475 59.595 58.200 -0.133 0.000 0.965 462 S CB -0.054 62.975 63.200 -0.284 0.000 0.785 462 S HN 1.295 nan 8.310 nan 0.000 0.495 463 A N -0.662 122.111 122.820 -0.079 0.000 2.816 463 A HA -0.105 4.223 4.320 0.013 0.000 0.270 463 A C 0.280 177.793 177.584 -0.119 0.000 1.413 463 A CA 0.912 52.906 52.037 -0.071 0.000 0.866 463 A CB -2.420 16.559 19.000 -0.034 0.000 1.032 463 A HN 1.025 nan 8.150 nan 0.000 0.642 464 V N 1.291 121.101 119.914 -0.175 0.000 2.349 464 V HA 0.369 4.497 4.120 0.013 0.000 0.284 464 V C 0.765 176.755 176.094 -0.174 0.000 1.014 464 V CA -0.006 62.182 62.300 -0.188 0.000 0.826 464 V CB 1.355 33.021 31.823 -0.260 0.000 1.009 464 V HN 0.506 nan 8.190 nan 0.000 0.431 465 T N 4.199 118.677 114.554 -0.127 0.000 2.819 465 T HA 0.265 4.623 4.350 0.013 0.000 0.282 465 T C 1.413 176.030 174.700 -0.137 0.000 1.013 465 T CA 1.655 63.690 62.100 -0.109 0.000 1.159 465 T CB 0.190 69.007 68.868 -0.086 0.000 1.007 465 T HN 1.487 nan 8.240 nan 0.000 0.514 466 G N 2.246 110.970 108.800 -0.127 0.000 2.320 466 G HA2 -0.279 3.689 3.960 0.013 0.000 0.242 466 G HA3 -0.279 3.689 3.960 0.013 0.000 0.242 466 G C 0.289 175.064 174.900 -0.209 0.000 1.033 466 G CA -0.067 44.947 45.100 -0.145 0.000 0.620 466 G HN 0.869 nan 8.290 nan 0.000 0.517 467 V N 1.658 121.397 119.914 -0.292 0.000 2.313 467 V HA 0.667 4.795 4.120 0.013 0.000 0.252 467 V C 0.402 176.306 176.094 -0.316 0.000 1.112 467 V CA 0.580 62.576 62.300 -0.507 0.000 0.984 467 V CB 0.641 32.027 31.823 -0.729 0.000 1.157 467 V HN 0.899 nan 8.190 nan 0.000 0.493 468 S N 3.460 119.074 115.700 -0.143 0.000 2.548 468 S HA 0.697 5.175 4.470 0.013 0.000 0.278 468 S C -0.054 174.621 174.600 0.126 0.000 1.150 468 S CA 0.615 58.850 58.200 0.059 0.000 0.907 468 S CB 1.368 64.573 63.200 0.008 0.000 1.108 468 S HN 1.943 nan 8.310 nan 0.000 0.459 469 G N 3.769 112.679 108.800 0.183 0.000 2.598 469 G HA2 -0.159 3.809 3.960 0.013 0.000 0.244 469 G HA3 -0.159 3.809 3.960 0.013 0.000 0.244 469 G C -1.193 173.780 174.900 0.122 0.000 1.302 469 G CA 0.101 45.284 45.100 0.138 0.000 0.903 469 G HN 0.827 nan 8.290 nan 0.000 0.575 470 D N 1.512 121.951 120.400 0.064 0.000 2.371 470 D HA 0.539 5.187 4.640 0.013 0.000 0.256 470 D C 0.947 177.190 176.300 -0.095 0.000 1.193 470 D CA 0.810 54.774 54.000 -0.060 0.000 0.881 470 D CB 0.562 41.425 40.800 0.105 0.000 1.143 470 D HN 0.496 nan 8.370 nan 0.000 0.473 471 M N 0.545 120.012 119.600 -0.221 0.000 2.719 471 M HA 0.403 4.891 4.480 0.013 0.000 0.291 471 M C 0.116 176.320 176.300 -0.161 0.000 1.264 471 M CA -0.890 54.364 55.300 -0.076 0.000 0.811 471 M CB 2.391 35.068 32.600 0.127 0.000 1.756 471 M HN 0.232 nan 8.290 nan 0.000 0.464 472 T N -1.591 112.943 114.554 -0.034 0.000 2.924 472 T HA 0.656 5.014 4.350 0.013 0.000 0.291 472 T C -0.455 174.279 174.700 0.057 0.000 1.045 472 T CA -0.870 61.219 62.100 -0.018 0.000 1.015 472 T CB 1.357 70.230 68.868 0.009 0.000 1.103 472 T HN 0.376 nan 8.240 nan 0.000 0.496 473 V N 2.459 122.386 119.914 0.022 0.000 2.485 473 V HA 0.401 4.529 4.120 0.013 0.000 0.287 473 V C 1.479 177.645 176.094 0.120 0.000 1.022 473 V CA 0.492 62.834 62.300 0.068 0.000 1.067 473 V CB -0.103 31.643 31.823 -0.128 0.000 0.967 473 V HN 1.203 nan 8.190 nan 0.000 0.479 474 A N 4.530 127.467 122.820 0.195 0.000 1.887 474 A HA 0.248 4.575 4.320 0.013 0.000 0.212 474 A C 1.161 178.855 177.584 0.183 0.000 1.198 474 A CA 1.153 53.309 52.037 0.198 0.000 0.628 474 A CB 0.110 19.283 19.000 0.288 0.000 0.847 474 A HN 0.867 nan 8.150 nan 0.000 0.449 475 T N -3.034 111.634 114.554 0.191 0.000 2.896 475 T HA 0.532 4.889 4.350 0.013 0.000 0.297 475 T C -0.912 173.905 174.700 0.195 0.000 1.108 475 T CA -0.047 62.138 62.100 0.141 0.000 1.004 475 T CB 1.333 70.233 68.868 0.053 0.000 1.159 475 T HN 1.118 nan 8.240 nan 0.000 0.499 476 V N 3.015 123.045 119.914 0.194 0.000 2.384 476 V HA 0.574 4.701 4.120 0.013 0.000 0.287 476 V C 0.590 176.809 176.094 0.209 0.000 1.020 476 V CA -0.655 61.801 62.300 0.259 0.000 0.850 476 V CB 0.465 32.489 31.823 0.334 0.000 0.987 476 V HN 0.995 nan 8.190 nan 0.000 0.436 477 I N 3.921 124.613 120.570 0.204 0.000 2.277 477 I HA 0.158 4.336 4.170 0.013 0.000 0.243 477 I C 0.773 176.980 176.117 0.150 0.000 1.094 477 I CA 1.379 62.764 61.300 0.140 0.000 1.393 477 I CB 0.059 38.124 38.000 0.108 0.000 1.078 477 I HN 0.984 nan 8.210 nan 0.000 0.417 478 D N -1.400 119.119 120.400 0.198 0.000 2.851 478 D HA 0.038 4.686 4.640 0.013 0.000 0.339 478 D C 0.368 176.766 176.300 0.162 0.000 1.347 478 D CA -0.715 53.379 54.000 0.156 0.000 0.888 478 D CB 0.170 41.033 40.800 0.106 0.000 1.431 478 D HN -0.030 nan 8.370 nan 0.000 0.509 479 K N -0.858 119.559 120.400 0.029 0.000 2.360 479 K HA -0.103 4.224 4.320 0.013 0.000 0.201 479 K C -0.226 176.209 176.600 -0.274 0.000 1.046 479 K CA 1.453 57.636 56.287 -0.173 0.000 0.945 479 K CB -0.214 32.175 32.500 -0.185 0.000 0.750 479 K HN 0.236 nan 8.250 nan 0.000 0.464 480 D N -0.078 120.324 120.400 0.003 0.000 2.441 480 D HA 0.101 4.748 4.640 0.013 0.000 0.210 480 D C -0.630 175.777 176.300 0.179 0.000 1.102 480 D CA 0.062 54.074 54.000 0.020 0.000 0.840 480 D CB 0.359 41.130 40.800 -0.047 0.000 0.990 480 D HN 0.262 nan 8.370 nan 0.000 0.505 481 N N 0.023 118.939 118.700 0.361 0.000 2.264 481 N HA 0.539 5.287 4.740 0.013 0.000 0.288 481 N C -1.027 174.667 175.510 0.306 0.000 1.094 481 N CA -0.819 52.378 53.050 0.244 0.000 0.817 481 N CB 2.085 40.668 38.487 0.159 0.000 1.604 481 N HN -0.081 nan 8.380 nan 0.000 0.473 482 F N -1.993 117.960 119.950 0.005 0.000 2.715 482 F HA 0.851 5.386 4.527 0.013 0.000 0.318 482 F C -0.763 175.043 175.800 0.010 0.000 1.141 482 F CA -0.997 56.983 58.000 -0.033 0.000 0.950 482 F CB 1.155 40.029 39.000 -0.211 0.000 1.374 482 F HN 0.379 nan 8.300 nan 0.000 0.477 483 T N -0.126 114.563 114.554 0.225 0.000 2.924 483 T HA 0.778 5.136 4.350 0.013 0.000 0.291 483 T C -0.860 174.006 174.700 0.277 0.000 1.045 483 T CA -0.521 61.654 62.100 0.125 0.000 1.015 483 T CB 1.521 70.474 68.868 0.142 0.000 1.103 483 T HN 1.449 nan 8.240 nan 0.000 0.496 484 V N 0.271 120.269 119.914 0.139 0.000 2.680 484 V HA 0.740 4.868 4.120 0.013 0.000 0.309 484 V C -0.384 175.724 176.094 0.025 0.000 1.052 484 V CA -1.314 61.053 62.300 0.112 0.000 0.908 484 V CB 1.296 33.132 31.823 0.022 0.000 1.001 484 V HN 0.931 nan 8.190 nan 0.000 0.431 485 L N 5.281 126.480 121.223 -0.041 0.000 2.342 485 L HA 0.503 4.851 4.340 0.013 0.000 0.285 485 L C 0.919 177.652 176.870 -0.228 0.000 1.095 485 L CA 0.792 55.452 54.840 -0.300 0.000 0.843 485 L CB 0.403 42.227 42.059 -0.390 0.000 1.201 485 L HN 1.144 nan 8.230 nan 0.000 0.445 486 T N 2.546 116.959 114.554 -0.234 0.000 2.766 486 T HA 0.362 4.719 4.350 0.013 0.000 0.295 486 T C -1.703 172.896 174.700 -0.168 0.000 1.024 486 T CA -1.125 60.863 62.100 -0.187 0.000 1.018 486 T CB 0.715 69.475 68.868 -0.180 0.000 1.002 486 T HN 0.541 nan 8.240 nan 0.000 0.532 487 P HA 0.155 nan 4.420 nan 0.000 0.241 487 P C 0.081 177.325 177.300 -0.093 0.000 1.191 487 P CA 0.200 63.239 63.100 -0.100 0.000 0.771 487 P CB 0.022 31.678 31.700 -0.074 0.000 0.929 488 N N -0.380 118.260 118.700 -0.100 0.000 2.525 488 N HA 0.292 5.040 4.740 0.013 0.000 0.270 488 N C -1.283 174.179 175.510 -0.080 0.000 1.321 488 N CA -0.797 52.205 53.050 -0.080 0.000 0.797 488 N CB 1.830 40.277 38.487 -0.067 0.000 1.529 488 N HN -0.099 nan 8.380 nan 0.000 0.491 489 Q N -0.186 119.577 119.800 -0.062 0.000 2.389 489 Q HA 0.444 4.791 4.340 0.013 0.000 0.277 489 Q C -1.513 174.461 176.000 -0.043 0.000 1.082 489 Q CA -0.807 54.965 55.803 -0.053 0.000 0.810 489 Q CB 2.598 31.311 28.738 -0.043 0.000 1.374 489 Q HN 0.618 nan 8.270 nan 0.000 0.422 490 Q N 0.394 120.169 119.800 -0.041 0.000 2.445 490 Q HA 0.393 4.741 4.340 0.013 0.000 0.281 490 Q C 0.049 176.032 176.000 -0.029 0.000 1.101 490 Q CA -0.507 55.275 55.803 -0.035 0.000 0.833 490 Q CB 2.102 30.816 28.738 -0.040 0.000 1.416 490 Q HN 0.890 nan 8.270 nan 0.000 0.451 491 T N -3.402 111.138 114.554 -0.025 0.000 3.107 491 T HA 0.094 4.452 4.350 0.013 0.000 0.249 491 T C 0.611 175.298 174.700 -0.020 0.000 1.096 491 T CA 0.092 62.180 62.100 -0.020 0.000 1.012 491 T CB -0.022 68.836 68.868 -0.017 0.000 0.977 491 T HN 0.476 nan 8.240 nan 0.000 0.527 492 S N 0.379 116.065 115.700 -0.024 0.000 2.600 492 S HA 0.632 5.109 4.470 0.013 0.000 0.300 492 S C -1.445 173.137 174.600 -0.030 0.000 1.087 492 S CA -1.037 57.148 58.200 -0.025 0.000 0.965 492 S CB 1.630 64.815 63.200 -0.024 0.000 1.089 492 S HN 0.061 nan 8.310 nan 0.000 0.496 493 D N 1.012 121.394 120.400 -0.030 0.000 2.302 493 D HA 0.493 5.140 4.640 0.013 0.000 0.248 493 D C -0.412 175.862 176.300 -0.043 0.000 1.094 493 D CA 0.004 53.982 54.000 -0.035 0.000 0.897 493 D CB 0.712 41.493 40.800 -0.030 0.000 1.200 493 D HN 0.463 nan 8.370 nan 0.000 0.429 494 L N 2.275 123.464 121.223 -0.056 0.000 2.342 494 L HA 0.512 4.860 4.340 0.013 0.000 0.271 494 L C 0.056 176.881 176.870 -0.075 0.000 1.008 494 L CA -0.833 53.966 54.840 -0.068 0.000 0.818 494 L CB 1.512 43.519 42.059 -0.087 0.000 1.296 494 L HN 0.231 nan 8.230 nan 0.000 0.427 495 N N 1.419 120.075 118.700 -0.073 0.000 2.648 495 N HA 0.065 4.812 4.740 0.013 0.000 0.272 495 N C -0.900 174.570 175.510 -0.068 0.000 1.118 495 N CA -0.469 52.537 53.050 -0.073 0.000 0.973 495 N CB 1.186 39.643 38.487 -0.050 0.000 1.565 495 N HN 0.656 nan 8.380 nan 0.000 0.542 496 N N 2.193 120.839 118.700 -0.091 0.000 2.362 496 N HA 0.098 4.846 4.740 0.013 0.000 0.211 496 N C 0.089 175.598 175.510 -0.001 0.000 1.170 496 N CA -0.276 52.731 53.050 -0.072 0.000 0.828 496 N CB -0.202 38.188 38.487 -0.161 0.000 1.034 496 N HN 0.522 nan 8.380 nan 0.000 0.475 497 A N -0.180 122.641 122.820 0.003 0.000 2.587 497 A HA 0.412 4.740 4.320 0.013 0.000 0.235 497 A C 1.608 179.218 177.584 0.043 0.000 1.044 497 A CA 0.610 52.664 52.037 0.029 0.000 0.754 497 A CB -0.811 18.194 19.000 0.008 0.000 0.968 497 A HN 0.993 nan 8.150 nan 0.000 0.509 498 G N 0.691 109.528 108.800 0.063 0.000 2.184 498 G HA2 -0.261 3.706 3.960 0.013 0.000 0.264 498 G HA3 -0.261 3.706 3.960 0.013 0.000 0.264 498 G C 0.321 175.263 174.900 0.071 0.000 0.975 498 G CA 1.084 46.218 45.100 0.057 0.000 0.642 498 G HN 1.084 nan 8.290 nan 0.000 0.536 499 K N 1.079 121.541 120.400 0.102 0.000 2.130 499 K HA 0.558 4.886 4.320 0.013 0.000 0.268 499 K C -0.080 176.645 176.600 0.209 0.000 0.983 499 K CA -0.869 55.493 56.287 0.124 0.000 0.893 499 K CB 0.414 32.974 32.500 0.100 0.000 1.066 499 K HN 0.091 nan 8.250 nan 0.000 0.450 500 N N 4.538 123.319 118.700 0.134 0.000 2.444 500 N HA 0.318 5.066 4.740 0.013 0.000 0.271 500 N C -0.855 174.701 175.510 0.075 0.000 1.069 500 N CA -0.309 52.774 53.050 0.055 0.000 0.965 500 N CB 0.445 38.928 38.487 -0.008 0.000 1.092 500 N HN 0.587 nan 8.380 nan 0.000 0.476 501 W N 0.848 122.002 121.300 -0.242 0.000 3.003 501 W HA 0.486 5.151 4.660 0.008 0.000 0.362 501 W C -1.450 174.755 176.519 -0.524 0.000 1.213 501 W CA -0.639 56.524 57.345 -0.302 0.000 1.157 501 W CB 0.335 29.769 29.460 -0.043 0.000 1.493 501 W HN 0.394 nan 8.180 nan 0.000 0.589 502 H N 0.653 119.870 119.070 0.245 0.000 2.806 502 H HA 0.658 5.224 4.556 0.016 0.000 0.367 502 H C -0.547 174.824 175.328 0.071 0.000 1.136 502 H CA -0.806 55.220 56.048 -0.036 0.000 1.178 502 H CB 3.003 32.792 29.762 0.045 0.000 1.718 502 H HN 0.254 nan 8.280 nan 0.000 0.540 503 M N 1.040 120.593 119.600 -0.079 0.000 2.662 503 M HA 0.555 5.043 4.480 0.013 0.000 0.310 503 M C -0.062 176.171 176.300 -0.112 0.000 1.204 503 M CA -0.110 55.130 55.300 -0.100 0.000 0.891 503 M CB 2.080 34.623 32.600 -0.094 0.000 1.732 503 M HN 0.993 nan 8.290 nan 0.000 0.467 504 G N 0.607 109.372 108.800 -0.059 0.000 2.507 504 G HA2 -0.111 3.857 3.960 0.013 0.000 0.205 504 G HA3 -0.111 3.857 3.960 0.013 0.000 0.205 504 G C -0.224 174.726 174.900 0.083 0.000 0.996 504 G CA 0.067 45.139 45.100 -0.047 0.000 0.776 504 G HN 0.870 nan 8.290 nan 0.000 0.532 505 T N -1.800 112.819 114.554 0.108 0.000 2.948 505 T HA 0.789 5.147 4.350 0.013 0.000 0.285 505 T C -0.206 174.585 174.700 0.153 0.000 1.019 505 T CA -0.053 62.153 62.100 0.176 0.000 1.013 505 T CB 2.351 71.262 68.868 0.072 0.000 1.117 505 T HN 1.276 nan 8.240 nan 0.000 0.533 506 S N 0.439 116.194 115.700 0.090 0.000 2.689 506 S HA 0.331 4.809 4.470 0.013 0.000 0.274 506 S C 0.084 174.634 174.600 -0.084 0.000 1.176 506 S CA -0.826 57.332 58.200 -0.071 0.000 1.014 506 S CB 0.663 63.587 63.200 -0.460 0.000 1.071 506 S HN 0.743 nan 8.310 nan 0.000 0.478 507 F N 4.787 124.607 119.950 -0.216 0.000 2.091 507 F HA -0.145 4.390 4.527 0.012 0.000 0.299 507 F C 2.110 177.611 175.800 -0.497 0.000 1.103 507 F CA 2.119 59.875 58.000 -0.407 0.000 1.228 507 F CB 0.004 38.721 39.000 -0.472 0.000 0.984 507 F HN 0.821 nan 8.300 nan 0.000 0.477 508 H N -0.517 118.501 119.070 -0.086 0.000 2.482 508 H HA 0.063 4.626 4.556 0.013 0.000 0.286 508 H C 1.392 176.567 175.328 -0.254 0.000 1.017 508 H CA 0.909 56.864 56.048 -0.154 0.000 1.322 508 H CB -0.008 29.746 29.762 -0.014 0.000 1.426 508 H HN 0.237 nan 8.280 nan 0.000 0.546 509 K N 1.219 121.495 120.400 -0.207 0.000 2.387 509 K HA 0.199 4.526 4.320 0.013 0.000 0.198 509 K C 0.219 176.736 176.600 -0.138 0.000 1.022 509 K CA 0.030 56.191 56.287 -0.210 0.000 1.128 509 K CB 0.828 33.080 32.500 -0.413 0.000 0.853 509 K HN -0.041 nan 8.250 nan 0.000 0.523 510 S N 2.720 118.274 115.700 -0.243 0.000 2.472 510 S HA 0.382 4.860 4.470 0.013 0.000 0.303 510 S C -2.465 171.906 174.600 -0.382 0.000 1.099 510 S CA -1.221 56.836 58.200 -0.238 0.000 1.077 510 S CB 2.075 65.121 63.200 -0.257 0.000 1.031 510 S HN 0.069 nan 8.310 nan 0.000 0.487 511 P HA 0.167 nan 4.420 nan 0.000 0.274 511 P C -0.918 176.157 177.300 -0.375 0.000 1.231 511 P CA -0.580 62.350 63.100 -0.282 0.000 0.790 511 P CB 0.476 32.087 31.700 -0.148 0.000 0.951 512 W N 1.634 122.704 121.300 -0.384 0.000 2.170 512 W HA 0.176 4.844 4.660 0.014 0.000 0.342 512 W C 1.504 177.805 176.519 -0.363 0.000 1.294 512 W CA -0.007 57.081 57.345 -0.428 0.000 1.246 512 W CB 0.163 29.241 29.460 -0.636 0.000 1.156 512 W HN 0.276 nan 8.180 nan 0.000 0.572 513 R N 3.254 123.743 120.500 -0.018 0.000 2.229 513 R HA 0.234 4.582 4.340 0.013 0.000 0.328 513 R C -0.686 175.533 176.300 -0.134 0.000 1.009 513 R CA -0.484 55.565 56.100 -0.084 0.000 0.864 513 R CB 0.308 30.568 30.300 -0.067 0.000 1.085 513 R HN 0.417 nan 8.270 nan 0.000 0.453 514 K N 3.032 123.288 120.400 -0.240 0.000 2.265 514 K HA 0.236 4.564 4.320 0.013 0.000 0.267 514 K C -1.012 175.548 176.600 -0.066 0.000 0.994 514 K CA -0.486 55.630 56.287 -0.285 0.000 0.860 514 K CB 2.197 34.378 32.500 -0.532 0.000 1.099 514 K HN 0.444 nan 8.250 nan 0.000 0.448 515 T N 2.095 116.684 114.554 0.058 0.000 2.809 515 T HA 0.063 4.420 4.350 0.013 0.000 0.296 515 T C -0.790 173.977 174.700 0.111 0.000 1.015 515 T CA -0.626 61.515 62.100 0.068 0.000 0.954 515 T CB 0.690 69.608 68.868 0.083 0.000 0.950 515 T HN 0.394 nan 8.240 nan 0.000 0.450 516 D N 3.023 123.475 120.400 0.085 0.000 2.343 516 D HA 0.130 4.778 4.640 0.013 0.000 0.255 516 D C 0.670 177.021 176.300 0.084 0.000 1.187 516 D CA -0.296 53.760 54.000 0.093 0.000 0.875 516 D CB 0.755 41.598 40.800 0.072 0.000 1.136 516 D HN 0.445 nan 8.370 nan 0.000 0.469 517 L N 3.072 124.344 121.223 0.082 0.000 2.640 517 L HA 0.330 4.678 4.340 0.013 0.000 0.230 517 L C 1.527 178.424 176.870 0.044 0.000 1.123 517 L CA -0.046 54.839 54.840 0.075 0.000 0.900 517 L CB -0.503 41.588 42.059 0.054 0.000 1.146 517 L HN 0.652 nan 8.230 nan 0.000 0.484 518 G N 1.311 110.134 108.800 0.039 0.000 2.645 518 G HA2 -0.315 3.653 3.960 0.013 0.000 0.239 518 G HA3 -0.315 3.653 3.960 0.013 0.000 0.239 518 G C -0.643 174.261 174.900 0.007 0.000 1.331 518 G CA -0.302 44.812 45.100 0.025 0.000 0.890 518 G HN 0.041 nan 8.290 nan 0.000 0.572 519 L N 1.142 122.365 121.223 0.000 0.000 2.401 519 L HA 0.544 4.892 4.340 0.013 0.000 0.283 519 L C 0.983 177.844 176.870 -0.016 0.000 1.151 519 L CA -0.489 54.344 54.840 -0.011 0.000 0.942 519 L CB -0.563 41.489 42.059 -0.011 0.000 1.283 519 L HN 0.440 nan 8.230 nan 0.000 0.442 520 I N 7.517 128.063 120.570 -0.039 0.000 2.828 520 I HA -0.027 4.151 4.170 0.013 0.000 0.292 520 I C -1.531 174.572 176.117 -0.023 0.000 1.206 520 I CA -1.000 60.262 61.300 -0.064 0.000 1.420 520 I CB 0.050 37.931 38.000 -0.199 0.000 1.368 520 I HN 0.514 nan 8.210 nan 0.000 0.556 521 P HA -0.018 nan 4.420 nan 0.000 0.268 521 P C 0.149 177.475 177.300 0.043 0.000 1.205 521 P CA 0.052 63.164 63.100 0.020 0.000 0.771 521 P CB 0.953 32.668 31.700 0.026 0.000 0.858 522 S N -0.220 115.510 115.700 0.050 0.000 3.783 522 S HA -0.067 4.410 4.470 0.013 0.000 0.360 522 S C -0.264 174.404 174.600 0.114 0.000 1.006 522 S CA 0.533 58.782 58.200 0.082 0.000 1.115 522 S CB -1.262 62.000 63.200 0.104 0.000 0.893 522 S HN 0.342 nan 8.310 nan 0.000 0.475 523 V N 0.751 120.710 119.914 0.075 0.000 2.760 523 V HA 0.491 4.619 4.120 0.013 0.000 0.309 523 V C 0.934 177.031 176.094 0.005 0.000 1.077 523 V CA -0.357 62.001 62.300 0.096 0.000 0.910 523 V CB 2.136 34.025 31.823 0.110 0.000 1.008 523 V HN 0.394 nan 8.190 nan 0.000 0.424 524 T N 1.906 116.405 114.554 -0.092 0.000 3.045 524 T HA 0.260 4.618 4.350 0.013 0.000 0.239 524 T C 0.227 174.837 174.700 -0.150 0.000 1.008 524 T CA 0.489 62.480 62.100 -0.182 0.000 1.143 524 T CB 0.320 68.978 68.868 -0.351 0.000 0.894 524 T HN 0.678 nan 8.240 nan 0.000 0.451 525 E N 0.533 120.640 120.200 -0.155 0.000 2.321 525 E HA 0.510 4.868 4.350 0.013 0.000 0.278 525 E C -1.682 175.041 176.600 0.205 0.000 0.902 525 E CA -0.468 55.963 56.400 0.051 0.000 0.758 525 E CB 3.129 32.921 29.700 0.154 0.000 1.213 525 E HN -0.071 nan 8.360 nan 0.000 0.426 526 V N 2.453 122.523 119.914 0.261 0.000 2.439 526 V HA 0.380 4.508 4.120 0.013 0.000 0.282 526 V C -0.577 175.743 176.094 0.377 0.000 1.039 526 V CA -0.367 62.140 62.300 0.346 0.000 0.913 526 V CB 1.063 33.072 31.823 0.310 0.000 0.983 526 V HN 0.676 nan 8.190 nan 0.000 0.460 527 H N 2.819 122.057 119.070 0.280 0.000 3.026 527 H HA 0.580 5.144 4.556 0.013 0.000 0.352 527 H C -0.488 175.002 175.328 0.269 0.000 1.090 527 H CA 0.618 56.823 56.048 0.261 0.000 1.268 527 H CB 1.599 31.522 29.762 0.268 0.000 1.816 527 H HN 0.893 nan 8.280 nan 0.000 0.518 528 S N 2.715 118.344 115.700 -0.119 0.000 3.493 528 S HA -0.166 4.312 4.470 0.013 0.000 0.825 528 S C -1.436 173.316 174.600 0.252 0.000 1.181 528 S CA 0.301 58.526 58.200 0.042 0.000 1.045 528 S CB -0.561 62.730 63.200 0.153 0.000 0.630 528 S HN 0.716 nan 8.310 nan 0.000 0.345 529 F N 2.351 122.352 119.950 0.085 0.000 2.574 529 F HA 0.693 5.227 4.527 0.013 0.000 0.313 529 F C -0.416 175.450 175.800 0.110 0.000 1.130 529 F CA 0.370 58.418 58.000 0.080 0.000 0.936 529 F CB 1.657 40.644 39.000 -0.022 0.000 1.219 529 F HN 0.919 nan 8.300 nan 0.000 0.445 530 A N 4.018 126.770 122.820 -0.112 0.000 2.375 530 A HA 0.547 4.875 4.320 0.013 0.000 0.291 530 A C -0.710 176.835 177.584 -0.065 0.000 1.160 530 A CA -0.585 51.481 52.037 0.049 0.000 0.747 530 A CB 0.782 19.867 19.000 0.141 0.000 1.170 530 A HN 0.654 nan 8.150 nan 0.000 0.458 531 T N 3.620 118.264 114.554 0.150 0.000 2.853 531 T HA 0.156 4.514 4.350 0.013 0.000 0.298 531 T C 1.326 176.089 174.700 0.105 0.000 0.978 531 T CA 0.149 62.377 62.100 0.213 0.000 1.152 531 T CB 0.030 69.087 68.868 0.316 0.000 0.914 531 T HN 0.459 nan 8.240 nan 0.000 0.539 532 I N 2.322 122.901 120.570 0.015 0.000 2.556 532 I HA 0.164 4.342 4.170 0.013 0.000 0.251 532 I C 1.146 177.243 176.117 -0.032 0.000 1.105 532 I CA 0.969 62.110 61.300 -0.264 0.000 1.436 532 I CB -0.390 37.384 38.000 -0.377 0.000 1.139 532 I HN 0.736 nan 8.210 nan 0.000 0.438 533 D N -2.014 118.431 120.400 0.074 0.000 3.650 533 D HA 0.000 4.648 4.640 0.013 0.000 0.341 533 D C 0.267 176.637 176.300 0.116 0.000 1.479 533 D CA -0.472 53.592 54.000 0.107 0.000 0.963 533 D CB 0.083 40.932 40.800 0.081 0.000 1.449 533 D HN -0.231 nan 8.370 nan 0.000 0.601 534 N N -1.311 117.432 118.700 0.072 0.000 2.515 534 N HA 0.099 4.847 4.740 0.013 0.000 0.185 534 N C 0.217 175.709 175.510 -0.029 0.000 1.109 534 N CA 0.639 53.701 53.050 0.020 0.000 0.903 534 N CB 0.010 38.485 38.487 -0.019 0.000 0.969 534 N HN 0.277 nan 8.380 nan 0.000 0.450 535 N N -1.549 117.180 118.700 0.048 0.000 2.317 535 N HA 0.231 4.979 4.740 0.013 0.000 0.199 535 N C 0.460 176.061 175.510 0.153 0.000 1.145 535 N CA 0.461 53.559 53.050 0.080 0.000 0.882 535 N CB 1.357 39.867 38.487 0.040 0.000 1.113 535 N HN 0.149 nan 8.380 nan 0.000 0.486 536 G N 0.105 108.954 108.800 0.081 0.000 2.554 536 G HA2 0.554 4.522 3.960 0.013 0.000 0.306 536 G HA3 0.554 4.522 3.960 0.013 0.000 0.306 536 G C -1.940 172.949 174.900 -0.018 0.000 1.320 536 G CA -0.696 44.313 45.100 -0.152 0.000 0.800 536 G HN 0.069 nan 8.290 nan 0.000 0.481 537 F N -2.547 117.409 119.950 0.010 0.000 2.817 537 F HA 0.906 5.441 4.527 0.012 0.000 0.317 537 F C -0.380 175.444 175.800 0.039 0.000 1.168 537 F CA -1.416 56.498 58.000 -0.144 0.000 0.911 537 F CB 1.126 39.749 39.000 -0.628 0.000 1.337 537 F HN 1.130 nan 8.300 nan 0.000 0.464 538 A N 1.500 124.458 122.820 0.231 0.000 2.374 538 A HA 0.917 5.244 4.320 0.013 0.000 0.317 538 A C -1.228 176.497 177.584 0.236 0.000 1.094 538 A CA -0.913 51.313 52.037 0.316 0.000 0.765 538 A CB 1.526 20.653 19.000 0.211 0.000 1.268 538 A HN 0.783 nan 8.150 nan 0.000 0.438 539 M N 1.641 121.478 119.600 0.396 0.000 2.395 539 M HA 0.490 4.978 4.480 0.013 0.000 0.307 539 M C 0.512 177.029 176.300 0.362 0.000 1.091 539 M CA -0.487 55.029 55.300 0.360 0.000 0.919 539 M CB 2.270 35.146 32.600 0.459 0.000 1.662 539 M HN 0.849 nan 8.290 nan 0.000 0.440 540 G N 1.494 110.492 108.800 0.329 0.000 2.572 540 G HA2 0.543 4.511 3.960 0.013 0.000 0.261 540 G HA3 0.543 4.511 3.960 0.013 0.000 0.261 540 G C -1.477 173.635 174.900 0.352 0.000 1.197 540 G CA -0.085 45.194 45.100 0.299 0.000 0.870 540 G HN 0.822 nan 8.290 nan 0.000 0.548 541 Y N -0.866 119.485 120.300 0.084 0.000 2.656 541 Y HA 0.691 5.249 4.550 0.013 0.000 0.334 541 Y C -0.855 175.112 175.900 0.112 0.000 1.179 541 Y CA -1.411 56.733 58.100 0.073 0.000 1.050 541 Y CB 1.119 39.508 38.460 -0.117 0.000 1.308 541 Y HN 1.058 nan 8.280 nan 0.000 0.456 542 H N 0.055 119.149 119.070 0.040 0.000 3.008 542 H HA 0.619 5.183 4.556 0.013 0.000 0.354 542 H C -1.886 173.539 175.328 0.162 0.000 1.252 542 H CA -1.020 54.974 56.048 -0.089 0.000 1.117 542 H CB 2.192 31.896 29.762 -0.096 0.000 1.857 542 H HN 0.744 nan 8.280 nan 0.000 0.547 543 Q N 1.264 121.101 119.800 0.061 0.000 2.310 543 Q HA 0.417 4.765 4.340 0.013 0.000 0.270 543 Q C -0.735 175.346 176.000 0.134 0.000 1.025 543 Q CA -0.237 55.588 55.803 0.037 0.000 0.772 543 Q CB 1.771 30.596 28.738 0.145 0.000 1.253 543 Q HN 1.126 nan 8.270 nan 0.000 0.450 544 G N 3.132 112.002 108.800 0.116 0.000 4.008 544 G HA2 0.070 4.038 3.960 0.013 0.000 0.278 544 G HA3 0.070 4.038 3.960 0.013 0.000 0.278 544 G C 0.241 175.196 174.900 0.092 0.000 1.021 544 G CA -0.107 45.094 45.100 0.169 0.000 0.833 544 G HN 0.563 nan 8.290 nan 0.000 0.454 545 D N 0.386 120.818 120.400 0.053 0.000 2.213 545 D HA 0.056 4.703 4.640 0.013 0.000 0.205 545 D C 1.251 177.571 176.300 0.032 0.000 0.961 545 D CA 1.182 55.202 54.000 0.034 0.000 0.853 545 D CB 0.979 41.787 40.800 0.013 0.000 0.967 545 D HN 0.379 nan 8.370 nan 0.000 0.496 546 V N -2.759 117.176 119.914 0.036 0.000 3.087 546 V HA 0.792 4.920 4.120 0.013 0.000 0.306 546 V C -0.725 175.390 176.094 0.036 0.000 1.187 546 V CA -1.399 60.919 62.300 0.030 0.000 0.999 546 V CB 1.653 33.491 31.823 0.025 0.000 1.049 546 V HN 0.019 nan 8.190 nan 0.000 0.431 547 A N 3.124 125.962 122.820 0.029 0.000 2.332 547 A HA 0.865 5.193 4.320 0.013 0.000 0.258 547 A C -1.843 175.760 177.584 0.031 0.000 1.087 547 A CA -1.019 51.036 52.037 0.029 0.000 0.802 547 A CB -0.551 18.462 19.000 0.021 0.000 1.042 547 A HN 0.961 nan 8.150 nan 0.000 0.489 548 P HA 0.346 nan 4.420 nan 0.000 0.277 548 P C -0.404 176.924 177.300 0.047 0.000 1.240 548 P CA -0.601 62.519 63.100 0.034 0.000 0.798 548 P CB 0.531 32.247 31.700 0.028 0.000 0.979 549 R N 1.145 121.672 120.500 0.045 0.000 2.623 549 R HA 0.120 4.468 4.340 0.013 0.000 0.271 549 R C 0.195 176.527 176.300 0.053 0.000 1.043 549 R CA 0.410 56.546 56.100 0.060 0.000 1.083 549 R CB 0.279 30.608 30.300 0.049 0.000 0.974 549 R HN 0.518 nan 8.270 nan 0.000 0.436 550 E N 1.468 121.710 120.200 0.071 0.000 2.256 550 E HA 0.430 4.788 4.350 0.013 0.000 0.267 550 E C -1.298 175.239 176.600 -0.105 0.000 0.892 550 E CA -0.945 55.469 56.400 0.024 0.000 0.775 550 E CB 2.574 32.357 29.700 0.138 0.000 1.207 550 E HN 0.149 nan 8.360 nan 0.000 0.420 551 V N 1.340 121.110 119.914 -0.241 0.000 2.623 551 V HA 0.807 4.935 4.120 0.013 0.000 0.304 551 V C 0.202 175.975 176.094 -0.534 0.000 1.054 551 V CA -0.338 61.733 62.300 -0.382 0.000 0.882 551 V CB 1.517 33.207 31.823 -0.222 0.000 1.002 551 V HN 0.931 nan 8.190 nan 0.000 0.424 552 G N 3.604 111.936 108.800 -0.780 0.000 2.435 552 G HA2 0.649 4.617 3.960 0.013 0.000 0.228 552 G HA3 0.649 4.617 3.960 0.013 0.000 0.228 552 G C -1.856 172.889 174.900 -0.259 0.000 1.198 552 G CA 0.079 44.907 45.100 -0.454 0.000 0.948 552 G HN 1.292 nan 8.290 nan 0.000 0.487 553 L N -2.954 118.303 121.223 0.056 0.000 2.469 553 L HA 0.938 5.286 4.340 0.013 0.000 0.256 553 L C -1.738 175.161 176.870 0.048 0.000 1.006 553 L CA -1.088 53.840 54.840 0.147 0.000 0.832 553 L CB 1.767 43.967 42.059 0.235 0.000 1.421 553 L HN 0.376 nan 8.230 nan 0.000 0.410 554 F N 1.700 121.840 119.950 0.317 0.000 2.426 554 F HA 0.499 5.034 4.527 0.013 0.000 0.348 554 F C -0.606 175.266 175.800 0.119 0.000 1.124 554 F CA -0.466 57.603 58.000 0.114 0.000 1.008 554 F CB 1.454 40.387 39.000 -0.112 0.000 1.139 554 F HN 0.491 nan 8.300 nan 0.000 0.452 555 Y N 4.282 124.635 120.300 0.088 0.000 2.327 555 Y HA 0.470 5.028 4.550 0.013 0.000 0.336 555 Y C -1.401 174.366 175.900 -0.220 0.000 1.035 555 Y CA -1.985 56.103 58.100 -0.020 0.000 1.165 555 Y CB 0.414 38.858 38.460 -0.026 0.000 1.181 555 Y HN 0.426 nan 8.280 nan 0.000 0.494 556 F N 9.345 129.043 119.950 -0.421 0.000 2.291 556 F HA 0.348 4.883 4.527 0.013 0.000 0.368 556 F C -1.614 173.612 175.800 -0.957 0.000 1.085 556 F CA -2.094 55.515 58.000 -0.652 0.000 1.165 556 F CB 1.013 39.494 39.000 -0.865 0.000 1.429 556 F HN 0.460 nan 8.300 nan 0.000 0.503 557 P HA -0.133 nan 4.420 nan 0.000 0.217 557 P C 0.117 177.229 177.300 -0.314 0.000 1.150 557 P CA 1.337 63.925 63.100 -0.852 0.000 0.832 557 P CB 0.390 31.695 31.700 -0.660 0.000 0.787 558 D N -1.420 118.864 120.400 -0.194 0.000 2.363 558 D HA 0.385 5.033 4.640 0.013 0.000 0.258 558 D C 0.743 177.062 176.300 0.030 0.000 1.259 558 D CA -0.653 53.332 54.000 -0.024 0.000 0.921 558 D CB 0.481 41.293 40.800 0.020 0.000 1.201 558 D HN -0.150 nan 8.370 nan 0.000 0.524 559 A N 2.489 125.299 122.820 -0.016 0.000 2.067 559 A HA -0.033 4.295 4.320 0.013 0.000 0.219 559 A C 1.440 179.110 177.584 0.144 0.000 1.158 559 A CA 0.791 52.783 52.037 -0.075 0.000 0.661 559 A CB -0.416 18.250 19.000 -0.557 0.000 0.801 559 A HN 0.482 nan 8.150 nan 0.000 0.452 560 F N 0.057 120.155 119.950 0.248 0.000 2.094 560 F HA -0.025 4.510 4.527 0.014 0.000 0.291 560 F C 2.152 178.091 175.800 0.233 0.000 1.109 560 F CA 1.894 60.132 58.000 0.395 0.000 1.221 560 F CB -0.592 38.615 39.000 0.345 0.000 1.014 560 F HN 0.212 nan 8.300 nan 0.000 0.473 561 N N -1.332 117.554 118.700 0.311 0.000 2.376 561 N HA -0.021 4.726 4.740 0.013 0.000 0.177 561 N C -0.159 175.395 175.510 0.074 0.000 1.024 561 N CA 0.934 54.079 53.050 0.158 0.000 0.893 561 N CB 0.116 38.682 38.487 0.131 0.000 0.980 561 N HN -0.041 nan 8.380 nan 0.000 0.439 562 S N 0.363 116.110 115.700 0.079 0.000 2.407 562 S HA 0.191 4.669 4.470 0.013 0.000 0.166 562 S C -2.235 172.412 174.600 0.078 0.000 1.445 562 S CA -0.836 57.392 58.200 0.046 0.000 1.260 562 S CB 1.203 64.414 63.200 0.018 0.000 1.401 562 S HN 0.153 nan 8.310 nan 0.000 0.379 563 P HA -0.054 nan 4.420 nan 0.000 0.230 563 P C 1.151 178.599 177.300 0.246 0.000 1.158 563 P CA 0.805 63.991 63.100 0.143 0.000 0.769 563 P CB -0.042 31.730 31.700 0.120 0.000 0.807 564 S N -2.566 113.241 115.700 0.179 0.000 2.556 564 S HA 0.116 4.593 4.470 0.013 0.000 0.216 564 S C 0.682 175.388 174.600 0.177 0.000 0.970 564 S CA -0.451 57.874 58.200 0.208 0.000 0.912 564 S CB -0.804 62.458 63.200 0.104 0.000 0.790 564 S HN -0.057 nan 8.310 nan 0.000 0.504 565 N N 2.480 121.248 118.700 0.114 0.000 2.426 565 N HA 0.530 5.278 4.740 0.013 0.000 0.257 565 N C -0.964 174.443 175.510 -0.172 0.000 1.002 565 N CA -0.466 52.532 53.050 -0.086 0.000 0.942 565 N CB 0.833 39.264 38.487 -0.093 0.000 1.112 565 N HN 0.613 nan 8.380 nan 0.000 0.499 566 Y N -1.094 118.962 120.300 -0.407 0.000 2.625 566 Y HA 0.753 5.311 4.550 0.013 0.000 0.338 566 Y C -1.222 174.457 175.900 -0.368 0.000 1.123 566 Y CA -1.415 56.273 58.100 -0.687 0.000 1.046 566 Y CB 0.841 38.479 38.460 -1.370 0.000 1.299 566 Y HN 0.103 nan 8.280 nan 0.000 0.464 567 V N 2.949 122.801 119.914 -0.102 0.000 2.604 567 V HA 0.567 4.695 4.120 0.013 0.000 0.305 567 V C -0.737 175.535 176.094 0.297 0.000 1.043 567 V CA -0.944 61.377 62.300 0.034 0.000 0.888 567 V CB 1.637 33.468 31.823 0.012 0.000 0.995 567 V HN 0.964 nan 8.190 nan 0.000 0.429 568 R N 6.435 127.135 120.500 0.334 0.000 2.308 568 R HA 0.571 4.919 4.340 0.013 0.000 0.305 568 R C -0.858 175.598 176.300 0.259 0.000 1.053 568 R CA -0.534 55.810 56.100 0.407 0.000 0.957 568 R CB 0.658 31.209 30.300 0.418 0.000 1.022 568 R HN 0.725 nan 8.270 nan 0.000 0.461 569 R N 3.973 124.626 120.500 0.256 0.000 2.621 569 R HA 0.238 4.585 4.340 0.013 0.000 0.284 569 R C -0.918 175.540 176.300 0.263 0.000 0.998 569 R CA -0.877 55.374 56.100 0.252 0.000 0.895 569 R CB 2.446 32.895 30.300 0.247 0.000 1.195 569 R HN 0.692 nan 8.270 nan 0.000 0.450 570 Q N 2.222 122.159 119.800 0.228 0.000 2.266 570 Q HA 0.485 4.833 4.340 0.013 0.000 0.261 570 Q C 0.595 176.614 176.000 0.031 0.000 0.985 570 Q CA -0.885 54.973 55.803 0.091 0.000 0.873 570 Q CB 2.363 31.146 28.738 0.076 0.000 1.306 570 Q HN 0.567 nan 8.270 nan 0.000 0.447 571 I N -1.732 118.642 120.570 -0.326 0.000 3.138 571 I HA 0.314 4.492 4.170 0.013 0.000 0.288 571 I C -2.214 173.702 176.117 -0.335 0.000 1.148 571 I CA -2.295 58.535 61.300 -0.782 0.000 1.315 571 I CB -0.178 37.157 38.000 -1.107 0.000 1.426 571 I HN 0.302 nan 8.210 nan 0.000 0.615 572 P HA -0.023 nan 4.420 nan 0.000 0.264 572 P C 0.551 177.885 177.300 0.057 0.000 1.183 572 P CA 0.182 63.311 63.100 0.048 0.000 0.763 572 P CB 0.702 32.536 31.700 0.224 0.000 0.807 573 S N 2.423 118.147 115.700 0.040 0.000 2.419 573 S HA -0.222 4.256 4.470 0.013 0.000 0.233 573 S C 1.622 176.207 174.600 -0.026 0.000 1.016 573 S CA 1.173 59.378 58.200 0.007 0.000 0.974 573 S CB -0.874 62.334 63.200 0.012 0.000 0.786 573 S HN 0.675 nan 8.310 nan 0.000 0.492 574 E N 0.191 120.352 120.200 -0.066 0.000 2.268 574 E HA -0.180 4.178 4.350 0.013 0.000 0.195 574 E C 1.029 177.416 176.600 -0.354 0.000 0.995 574 E CA 0.931 57.196 56.400 -0.224 0.000 0.836 574 E CB -0.385 29.132 29.700 -0.306 0.000 0.763 574 E HN 0.770 nan 8.360 nan 0.000 0.491 575 Y N 0.731 121.024 120.300 -0.012 0.000 2.462 575 Y HA 0.236 4.794 4.550 0.013 0.000 0.261 575 Y C 1.531 177.402 175.900 -0.048 0.000 1.146 575 Y CA 0.149 58.249 58.100 -0.001 0.000 1.283 575 Y CB 0.512 39.019 38.460 0.077 0.000 1.090 575 Y HN 0.075 nan 8.280 nan 0.000 0.526 576 E N 0.505 120.725 120.200 0.034 0.000 2.158 576 E HA -0.033 4.325 4.350 0.013 0.000 0.191 576 E C -1.764 174.832 176.600 -0.006 0.000 0.982 576 E CA -0.165 56.229 56.400 -0.010 0.000 0.823 576 E CB -1.035 28.648 29.700 -0.029 0.000 0.766 576 E HN 0.253 nan 8.360 nan 0.000 0.468 577 P HA -0.044 nan 4.420 nan 0.000 0.266 577 P C -0.623 176.672 177.300 -0.009 0.000 1.195 577 P CA 0.638 63.731 63.100 -0.011 0.000 0.768 577 P CB 0.320 32.004 31.700 -0.026 0.000 0.838 578 D N -1.637 118.759 120.400 -0.008 0.000 3.012 578 D HA -0.190 4.458 4.640 0.013 0.000 0.222 578 D C 0.009 176.297 176.300 -0.020 0.000 1.167 578 D CA 1.370 55.363 54.000 -0.012 0.000 0.854 578 D CB -1.551 39.235 40.800 -0.022 0.000 1.107 578 D HN 0.558 nan 8.370 nan 0.000 0.421 579 A N -0.050 122.751 122.820 -0.031 0.000 2.413 579 A HA 0.817 5.145 4.320 0.013 0.000 0.307 579 A C 0.203 177.687 177.584 -0.167 0.000 1.087 579 A CA 0.330 52.328 52.037 -0.066 0.000 0.750 579 A CB 2.304 21.289 19.000 -0.024 0.000 1.296 579 A HN 0.447 nan 8.150 nan 0.000 0.423 580 S N -0.055 115.484 115.700 -0.268 0.000 2.643 580 S HA 0.592 5.070 4.470 0.013 0.000 0.270 580 S C -0.809 173.541 174.600 -0.416 0.000 1.166 580 S CA -0.322 57.498 58.200 -0.634 0.000 0.815 580 S CB 0.395 63.055 63.200 -0.900 0.000 1.139 580 S HN 1.039 nan 8.310 nan 0.000 0.472 581 E N 0.865 120.797 120.200 -0.447 0.000 2.202 581 E HA -0.127 4.231 4.350 0.013 0.000 0.169 581 E C -2.389 174.054 176.600 -0.263 0.000 1.536 581 E CA 0.562 56.687 56.400 -0.460 0.000 0.664 581 E CB -1.490 27.819 29.700 -0.652 0.000 1.064 581 E HN 0.537 nan 8.360 nan 0.000 0.327 582 P HA 0.002 nan 4.420 nan 0.000 0.271 582 P C -0.046 177.520 177.300 0.445 0.000 1.216 582 P CA -0.196 63.015 63.100 0.184 0.000 0.771 582 P CB 0.812 32.585 31.700 0.121 0.000 0.864 583 C N 5.171 124.757 119.300 0.476 0.000 2.369 583 C HA 0.609 5.076 4.460 0.013 0.000 0.358 583 C C 0.936 176.266 174.990 0.566 0.000 1.274 583 C CA -0.202 59.135 59.018 0.532 0.000 1.935 583 C CB -0.913 27.176 27.740 0.582 0.000 2.431 583 C HN 0.496 nan 8.230 nan 0.000 0.545 584 I N 0.865 121.692 120.570 0.427 0.000 2.608 584 I HA 0.846 5.024 4.170 0.013 0.000 0.295 584 I C -0.760 175.543 176.117 0.310 0.000 1.049 584 I CA -0.658 60.915 61.300 0.456 0.000 1.063 584 I CB 1.617 39.847 38.000 0.384 0.000 1.248 584 I HN 0.416 nan 8.210 nan 0.000 0.424 585 K N 3.373 124.034 120.400 0.435 0.000 2.508 585 K HA 0.530 4.858 4.320 0.013 0.000 0.260 585 K C -2.073 174.786 176.600 0.431 0.000 0.949 585 K CA -0.706 55.752 56.287 0.284 0.000 0.834 585 K CB 2.420 34.952 32.500 0.053 0.000 1.365 585 K HN 0.609 nan 8.250 nan 0.000 0.437 586 Y N 2.105 122.407 120.300 0.004 0.000 2.331 586 Y HA 0.487 5.045 4.550 0.012 0.000 0.334 586 Y C -1.788 174.014 175.900 -0.164 0.000 0.960 586 Y CA -0.499 57.612 58.100 0.019 0.000 1.130 586 Y CB 0.882 39.340 38.460 -0.004 0.000 1.164 586 Y HN 0.532 nan 8.280 nan 0.000 0.458 587 Y N 4.256 124.486 120.300 -0.116 0.000 2.386 587 Y HA 0.224 4.782 4.550 0.013 0.000 0.334 587 Y C -0.345 175.397 175.900 -0.262 0.000 1.002 587 Y CA -1.446 56.612 58.100 -0.070 0.000 1.068 587 Y CB 1.523 40.107 38.460 0.207 0.000 1.203 587 Y HN 0.662 nan 8.280 nan 0.000 0.443 588 D N 3.108 123.455 120.400 -0.089 0.000 2.755 588 D HA -0.218 4.430 4.640 0.013 0.000 0.227 588 D C 1.251 177.405 176.300 -0.242 0.000 1.211 588 D CA 1.720 55.660 54.000 -0.101 0.000 0.663 588 D CB -0.839 39.971 40.800 0.017 0.000 0.983 588 D HN 1.171 nan 8.370 nan 0.000 0.407 589 G N -1.752 106.717 108.800 -0.553 0.000 2.184 589 G HA2 -0.319 3.649 3.960 0.013 0.000 0.264 589 G HA3 -0.319 3.649 3.960 0.013 0.000 0.264 589 G C 0.352 175.058 174.900 -0.324 0.000 0.975 589 G CA 0.375 45.268 45.100 -0.345 0.000 0.642 589 G HN 0.604 nan 8.290 nan 0.000 0.536 590 V N 0.886 120.512 119.914 -0.480 0.000 2.417 590 V HA 0.679 4.807 4.120 0.013 0.000 0.291 590 V C 0.233 176.158 176.094 -0.281 0.000 1.024 590 V CA -0.851 61.228 62.300 -0.368 0.000 0.861 590 V CB 1.774 33.320 31.823 -0.461 0.000 0.985 590 V HN 0.410 nan 8.190 nan 0.000 0.436 591 L N 6.377 127.537 121.223 -0.105 0.000 2.260 591 L HA 0.534 4.882 4.340 0.013 0.000 0.289 591 L C -0.998 175.933 176.870 0.102 0.000 1.057 591 L CA 0.257 55.185 54.840 0.146 0.000 0.811 591 L CB 0.345 42.486 42.059 0.138 0.000 1.184 591 L HN 0.549 nan 8.230 nan 0.000 0.429 592 Y N 5.373 125.974 120.300 0.502 0.000 2.342 592 Y HA 0.600 5.158 4.550 0.013 0.000 0.334 592 Y C -0.291 175.998 175.900 0.648 0.000 1.067 592 Y CA -0.566 57.875 58.100 0.568 0.000 1.128 592 Y CB 1.596 40.384 38.460 0.547 0.000 1.200 592 Y HN 0.489 nan 8.280 nan 0.000 0.464 593 L N 5.055 126.684 121.223 0.677 0.000 2.409 593 L HA 0.682 5.029 4.340 0.013 0.000 0.272 593 L C -1.553 175.548 176.870 0.385 0.000 0.980 593 L CA -0.473 54.674 54.840 0.512 0.000 0.826 593 L CB 1.166 43.408 42.059 0.307 0.000 1.268 593 L HN 0.622 nan 8.230 nan 0.000 0.407 594 I N 3.402 124.197 120.570 0.376 0.000 2.465 594 I HA 0.399 4.577 4.170 0.013 0.000 0.291 594 I C 0.179 176.435 176.117 0.232 0.000 1.014 594 I CA -0.571 60.895 61.300 0.275 0.000 1.093 594 I CB 2.285 40.415 38.000 0.216 0.000 1.267 594 I HN 0.570 nan 8.210 nan 0.000 0.431 595 T N 2.465 117.117 114.554 0.164 0.000 2.918 595 T HA 0.389 4.746 4.350 0.013 0.000 0.283 595 T C 0.009 174.724 174.700 0.026 0.000 1.001 595 T CA -0.850 61.295 62.100 0.076 0.000 1.041 595 T CB 1.855 70.756 68.868 0.056 0.000 1.028 595 T HN 0.523 nan 8.240 nan 0.000 0.511 596 R N 0.670 121.151 120.500 -0.032 0.000 2.265 596 R HA 0.445 4.793 4.340 0.013 0.000 0.314 596 R C 0.436 176.701 176.300 -0.058 0.000 1.053 596 R CA -0.375 55.689 56.100 -0.059 0.000 0.931 596 R CB 0.480 30.730 30.300 -0.084 0.000 1.024 596 R HN 0.954 nan 8.270 nan 0.000 0.457 597 G N 1.149 109.916 108.800 -0.056 0.000 2.390 597 G HA2 0.098 4.066 3.960 0.013 0.000 0.270 597 G HA3 0.098 4.066 3.960 0.013 0.000 0.270 597 G C 0.956 175.872 174.900 0.028 0.000 1.211 597 G CA -0.394 44.689 45.100 -0.028 0.000 0.842 597 G HN 0.740 nan 8.290 nan 0.000 0.519 598 T N -1.254 113.318 114.554 0.030 0.000 3.065 598 T HA 0.211 4.569 4.350 0.013 0.000 0.252 598 T C 0.799 175.581 174.700 0.136 0.000 1.099 598 T CA -0.068 62.097 62.100 0.108 0.000 1.063 598 T CB -0.007 68.891 68.868 0.050 0.000 0.948 598 T HN 0.648 nan 8.240 nan 0.000 0.506 599 R N -0.442 120.040 120.500 -0.030 0.000 2.626 599 R HA 0.576 4.924 4.340 0.013 0.000 0.274 599 R C 0.895 176.884 176.300 -0.518 0.000 1.031 599 R CA -0.789 55.197 56.100 -0.191 0.000 0.898 599 R CB 0.987 31.228 30.300 -0.099 0.000 1.222 599 R HN 0.002 nan 8.270 nan 0.000 0.455 600 G N 0.982 109.186 108.800 -0.994 0.000 2.509 600 G HA2 -0.222 3.745 3.960 0.013 0.000 0.218 600 G HA3 -0.222 3.745 3.960 0.013 0.000 0.218 600 G C 0.481 175.085 174.900 -0.494 0.000 1.124 600 G CA 0.817 45.188 45.100 -1.216 0.000 0.776 600 G HN 0.793 nan 8.290 nan 0.000 0.547 601 D N -0.696 119.518 120.400 -0.309 0.000 2.463 601 D HA 0.129 4.777 4.640 0.013 0.000 0.224 601 D C 0.640 176.862 176.300 -0.129 0.000 1.174 601 D CA -0.221 53.673 54.000 -0.175 0.000 0.829 601 D CB 0.434 41.162 40.800 -0.121 0.000 0.993 601 D HN 0.147 nan 8.370 nan 0.000 0.497 602 R N 0.006 120.420 120.500 -0.144 0.000 2.740 602 R HA 0.299 4.647 4.340 0.013 0.000 0.273 602 R C -0.762 175.484 176.300 -0.089 0.000 0.998 602 R CA -1.249 54.793 56.100 -0.096 0.000 0.900 602 R CB 1.444 31.699 30.300 -0.076 0.000 1.223 602 R HN -0.063 nan 8.270 nan 0.000 0.466 603 L N 2.110 123.297 121.223 -0.060 0.000 2.678 603 L HA -0.020 4.328 4.340 0.013 0.000 0.285 603 L C 1.260 178.118 176.870 -0.020 0.000 1.233 603 L CA 1.074 55.892 54.840 -0.035 0.000 0.920 603 L CB -0.369 41.671 42.059 -0.031 0.000 1.176 603 L HN 0.903 nan 8.230 nan 0.000 0.495 604 G N 2.558 111.352 108.800 -0.010 0.000 2.882 604 G HA2 0.287 4.255 3.960 0.013 0.000 0.164 604 G HA3 0.287 4.255 3.960 0.013 0.000 0.164 604 G C -0.229 174.699 174.900 0.047 0.000 1.429 604 G CA -0.429 44.663 45.100 -0.014 0.000 1.059 604 G HN 0.580 nan 8.290 nan 0.000 0.581 605 S N 0.008 115.711 115.700 0.004 0.000 2.573 605 S HA 0.358 4.836 4.470 0.013 0.000 0.297 605 S C 0.465 175.249 174.600 0.307 0.000 1.280 605 S CA 0.405 58.637 58.200 0.055 0.000 1.061 605 S CB 0.404 63.486 63.200 -0.197 0.000 0.812 605 S HN 1.016 nan 8.310 nan 0.000 0.500 606 S N 3.047 118.910 115.700 0.271 0.000 2.599 606 S HA 0.747 5.225 4.470 0.013 0.000 0.287 606 S C -0.950 173.638 174.600 -0.020 0.000 1.105 606 S CA -1.015 57.256 58.200 0.119 0.000 0.899 606 S CB 1.276 64.477 63.200 0.002 0.000 1.100 606 S HN 0.624 nan 8.310 nan 0.000 0.482 607 L N 2.275 123.232 121.223 -0.443 0.000 2.346 607 L HA 0.671 5.019 4.340 0.013 0.000 0.274 607 L C -1.240 175.259 176.870 -0.619 0.000 1.007 607 L CA -0.538 54.099 54.840 -0.339 0.000 0.818 607 L CB 1.535 43.319 42.059 -0.458 0.000 1.284 607 L HN 0.904 nan 8.230 nan 0.000 0.424 608 H N 3.403 122.610 119.070 0.227 0.000 2.930 608 H HA 0.494 5.058 4.556 0.013 0.000 0.371 608 H C -1.230 174.450 175.328 0.586 0.000 1.169 608 H CA -0.917 55.340 56.048 0.348 0.000 1.157 608 H CB 2.276 31.978 29.762 -0.101 0.000 1.789 608 H HN 0.570 nan 8.280 nan 0.000 0.547 609 R N 0.262 121.109 120.500 0.579 0.000 2.744 609 R HA 0.698 5.046 4.340 0.013 0.000 0.279 609 R C -0.970 175.330 176.300 0.000 0.000 0.977 609 R CA -1.015 55.164 56.100 0.131 0.000 0.906 609 R CB 2.208 32.277 30.300 -0.384 0.000 1.197 609 R HN 0.454 nan 8.270 nan 0.000 0.463 610 S N 0.483 115.996 115.700 -0.311 0.000 2.541 610 S HA 0.416 4.894 4.470 0.013 0.000 0.280 610 S C -0.284 174.094 174.600 -0.370 0.000 1.112 610 S CA -0.981 56.905 58.200 -0.525 0.000 0.925 610 S CB 1.456 63.982 63.200 -1.125 0.000 1.067 610 S HN 0.780 nan 8.310 nan 0.000 0.479 611 R N 1.508 121.827 120.500 -0.301 0.000 2.427 611 R HA 0.200 4.548 4.340 0.013 0.000 0.262 611 R C -0.650 175.549 176.300 -0.168 0.000 0.943 611 R CA 0.249 56.229 56.100 -0.200 0.000 1.081 611 R CB -0.026 30.174 30.300 -0.166 0.000 1.166 611 R HN 0.686 nan 8.270 nan 0.000 0.534 612 D N -0.531 119.724 120.400 -0.242 0.000 2.760 612 D HA 0.106 4.754 4.640 0.013 0.000 0.314 612 D C 0.082 176.214 176.300 -0.281 0.000 1.464 612 D CA -0.631 53.241 54.000 -0.213 0.000 0.797 612 D CB -0.448 40.244 40.800 -0.181 0.000 1.149 612 D HN 0.059 nan 8.370 nan 0.000 0.455 613 I N 0.559 120.934 120.570 -0.325 0.000 6.697 613 I HA -0.221 3.957 4.170 0.013 0.000 0.126 613 I C 1.327 177.241 176.117 -0.340 0.000 1.764 613 I CA 0.890 61.963 61.300 -0.378 0.000 2.245 613 I CB -1.535 36.105 38.000 -0.600 0.000 3.404 613 I HN 0.554 nan 8.210 nan 0.000 0.228 614 G N -0.148 108.304 108.800 -0.581 0.000 2.179 614 G HA2 -0.242 3.726 3.960 0.013 0.000 0.220 614 G HA3 -0.242 3.726 3.960 0.013 0.000 0.220 614 G C 0.510 175.202 174.900 -0.347 0.000 0.990 614 G CA 0.329 45.086 45.100 -0.571 0.000 0.646 614 G HN 0.534 nan 8.290 nan 0.000 0.517 615 Q N -0.022 119.582 119.800 -0.326 0.000 2.062 615 Q HA 0.146 4.494 4.340 0.013 0.000 0.196 615 Q C 1.571 177.482 176.000 -0.147 0.000 0.967 615 Q CA 1.600 57.318 55.803 -0.141 0.000 0.832 615 Q CB 0.097 28.772 28.738 -0.105 0.000 0.899 615 Q HN 0.758 nan 8.270 nan 0.000 0.442 616 T N -2.901 111.466 114.554 -0.311 0.000 2.916 616 T HA 0.560 4.917 4.350 0.013 0.000 0.292 616 T C -1.404 173.047 174.700 -0.415 0.000 1.055 616 T CA -0.842 61.142 62.100 -0.195 0.000 1.009 616 T CB 1.402 70.218 68.868 -0.087 0.000 1.118 616 T HN 0.200 nan 8.240 nan 0.000 0.497 617 W N -0.110 121.197 121.300 0.011 0.000 3.033 617 W HA 0.627 5.295 4.660 0.013 0.000 0.336 617 W C -0.398 176.139 176.519 0.030 0.000 1.173 617 W CA -0.736 56.626 57.345 0.028 0.000 1.185 617 W CB 2.027 31.532 29.460 0.075 0.000 1.425 617 W HN 0.761 nan 8.180 nan 0.000 0.536 618 E N 1.167 121.531 120.200 0.274 0.000 2.183 618 E HA 0.687 5.044 4.350 0.013 0.000 0.271 618 E C -0.859 175.956 176.600 0.359 0.000 0.919 618 E CA -0.417 56.087 56.400 0.174 0.000 0.781 618 E CB 1.844 31.451 29.700 -0.154 0.000 1.140 618 E HN 0.241 nan 8.360 nan 0.000 0.402 619 S N 2.464 118.368 115.700 0.339 0.000 2.599 619 S HA 0.700 5.178 4.470 0.013 0.000 0.287 619 S C -1.388 173.174 174.600 -0.063 0.000 1.105 619 S CA -0.871 57.345 58.200 0.028 0.000 0.899 619 S CB 1.289 64.387 63.200 -0.170 0.000 1.100 619 S HN 0.494 nan 8.310 nan 0.000 0.482 620 L N 0.880 121.802 121.223 -0.503 0.000 2.545 620 L HA 0.691 5.039 4.340 0.013 0.000 0.258 620 L C -1.624 174.952 176.870 -0.490 0.000 0.942 620 L CA -0.738 53.825 54.840 -0.461 0.000 0.855 620 L CB 1.992 43.597 42.059 -0.756 0.000 1.374 620 L HN 0.681 nan 8.230 nan 0.000 0.411 621 R N 2.458 122.816 120.500 -0.238 0.000 2.312 621 R HA 0.597 4.945 4.340 0.013 0.000 0.311 621 R C -1.175 175.011 176.300 -0.191 0.000 1.004 621 R CA -0.308 55.738 56.100 -0.089 0.000 0.902 621 R CB 1.030 31.374 30.300 0.075 0.000 1.073 621 R HN 0.551 nan 8.270 nan 0.000 0.457 622 F N 6.079 125.968 119.950 -0.101 0.000 2.484 622 F HA 0.231 4.766 4.527 0.013 0.000 0.360 622 F C -1.271 174.488 175.800 -0.067 0.000 1.101 622 F CA -1.536 56.425 58.000 -0.066 0.000 1.251 622 F CB 0.462 39.488 39.000 0.044 0.000 1.132 622 F HN 0.429 nan 8.300 nan 0.000 0.570 623 P HA -0.054 nan 4.420 nan 0.000 0.267 623 P C -0.546 176.724 177.300 -0.049 0.000 1.200 623 P CA 0.366 63.370 63.100 -0.159 0.000 0.772 623 P CB 0.333 31.857 31.700 -0.294 0.000 0.855 624 H N 0.013 119.105 119.070 0.037 0.000 2.931 624 H HA -0.146 4.418 4.556 0.013 0.000 0.290 624 H C -0.084 175.203 175.328 -0.068 0.000 1.264 624 H CA 0.640 56.684 56.048 -0.007 0.000 1.140 624 H CB -2.687 27.088 29.762 0.022 0.000 1.343 624 H HN 0.716 nan 8.280 nan 0.000 0.403 625 N N -1.443 117.260 118.700 0.004 0.000 2.686 625 N HA -0.170 4.578 4.740 0.013 0.000 0.261 625 N C -0.052 175.390 175.510 -0.113 0.000 1.001 625 N CA 0.429 53.435 53.050 -0.074 0.000 0.764 625 N CB -0.465 37.937 38.487 -0.143 0.000 0.898 625 N HN 0.155 nan 8.380 nan 0.000 0.544 626 V N 1.872 121.673 119.914 -0.188 0.000 2.599 626 V HA 0.035 4.163 4.120 0.013 0.000 0.300 626 V C 0.868 176.752 176.094 -0.351 0.000 1.034 626 V CA 0.458 62.459 62.300 -0.498 0.000 1.115 626 V CB 0.196 31.633 31.823 -0.644 0.000 0.934 626 V HN 0.509 nan 8.190 nan 0.000 0.485 627 H N 2.721 121.400 119.070 -0.651 0.000 3.017 627 H HA 0.415 4.979 4.556 0.013 0.000 0.346 627 H C 0.243 175.383 175.328 -0.314 0.000 1.286 627 H CA -0.407 55.378 56.048 -0.439 0.000 1.120 627 H CB 0.983 30.447 29.762 -0.498 0.000 1.860 627 H HN 0.768 nan 8.280 nan 0.000 0.542 628 H N -1.540 117.424 119.070 -0.176 0.000 3.882 628 H HA -0.168 4.396 4.556 0.013 0.000 0.165 628 H C -0.219 175.048 175.328 -0.102 0.000 0.896 628 H CA 1.362 57.331 56.048 -0.132 0.000 1.243 628 H CB -0.724 28.934 29.762 -0.173 0.000 0.958 628 H HN 0.841 nan 8.280 nan 0.000 0.400 629 T N 1.062 115.588 114.554 -0.046 0.000 2.863 629 T HA 0.445 4.803 4.350 0.013 0.000 0.285 629 T C 0.385 175.103 174.700 0.030 0.000 1.009 629 T CA 0.062 62.173 62.100 0.018 0.000 0.989 629 T CB 1.613 70.484 68.868 0.005 0.000 1.004 629 T HN 0.322 nan 8.240 nan 0.000 0.455 630 T N 2.364 117.003 114.554 0.141 0.000 2.816 630 T HA 0.578 4.936 4.350 0.013 0.000 0.282 630 T C 0.289 175.115 174.700 0.209 0.000 0.993 630 T CA -0.852 61.353 62.100 0.176 0.000 0.994 630 T CB 0.459 69.502 68.868 0.292 0.000 1.025 630 T HN 0.518 nan 8.240 nan 0.000 0.529 631 L N 1.749 123.123 121.223 0.252 0.000 2.637 631 L HA 0.327 4.675 4.340 0.013 0.000 0.241 631 L C -2.316 174.837 176.870 0.472 0.000 1.398 631 L CA -2.091 52.923 54.840 0.290 0.000 0.895 631 L CB 1.054 43.212 42.059 0.165 0.000 1.183 631 L HN 0.481 nan 8.230 nan 0.000 0.497 632 P HA 0.136 nan 4.420 nan 0.000 0.267 632 P C -0.812 176.833 177.300 0.574 0.000 1.200 632 P CA 0.362 63.754 63.100 0.486 0.000 0.772 632 P CB 0.729 32.688 31.700 0.431 0.000 0.855 633 F N -1.294 118.863 119.950 0.344 0.000 2.773 633 F HA 0.795 5.330 4.527 0.013 0.000 0.314 633 F C -2.016 173.985 175.800 0.334 0.000 1.160 633 F CA -1.346 56.852 58.000 0.329 0.000 0.920 633 F CB 0.730 39.888 39.000 0.263 0.000 1.323 633 F HN 0.517 nan 8.300 nan 0.000 0.457 634 A N 1.500 124.575 122.820 0.426 0.000 2.515 634 A HA 0.741 5.068 4.320 0.013 0.000 0.296 634 A C -1.731 175.982 177.584 0.215 0.000 1.094 634 A CA -1.095 51.138 52.037 0.327 0.000 0.718 634 A CB 1.995 21.173 19.000 0.298 0.000 1.307 634 A HN 0.928 nan 8.150 nan 0.000 0.408 635 K N 0.913 121.179 120.400 -0.223 0.000 2.213 635 K HA 0.617 4.944 4.320 0.013 0.000 0.270 635 K C -1.617 174.782 176.600 -0.336 0.000 1.002 635 K CA -0.260 55.715 56.287 -0.519 0.000 0.868 635 K CB 1.144 32.933 32.500 -1.185 0.000 1.093 635 K HN 0.414 nan 8.250 nan 0.000 0.454 636 V N 4.824 124.646 119.914 -0.154 0.000 2.443 636 V HA 0.440 4.568 4.120 0.013 0.000 0.293 636 V C 0.713 176.763 176.094 -0.072 0.000 1.021 636 V CA 0.031 62.288 62.300 -0.072 0.000 0.848 636 V CB 0.636 32.452 31.823 -0.012 0.000 0.998 636 V HN 1.172 nan 8.190 nan 0.000 0.424 637 G N 5.135 113.900 108.800 -0.060 0.000 2.611 637 G HA2 -0.286 3.682 3.960 0.013 0.000 0.301 637 G HA3 -0.286 3.682 3.960 0.013 0.000 0.301 637 G C 0.349 175.213 174.900 -0.061 0.000 1.233 637 G CA 0.736 45.809 45.100 -0.045 0.000 0.993 637 G HN 0.652 nan 8.290 nan 0.000 0.553 638 D N 1.956 122.329 120.400 -0.046 0.000 2.340 638 D HA 0.250 4.898 4.640 0.013 0.000 0.220 638 D C 0.203 176.469 176.300 -0.058 0.000 1.039 638 D CA 0.636 54.614 54.000 -0.038 0.000 0.866 638 D CB 0.063 40.851 40.800 -0.019 0.000 0.913 638 D HN 0.339 nan 8.370 nan 0.000 0.523 639 D N 0.211 120.565 120.400 -0.078 0.000 2.163 639 D HA 0.237 4.885 4.640 0.013 0.000 0.248 639 D C -0.156 176.073 176.300 -0.118 0.000 1.035 639 D CA -0.599 53.348 54.000 -0.088 0.000 0.872 639 D CB 1.728 42.489 40.800 -0.066 0.000 1.183 639 D HN -0.175 nan 8.370 nan 0.000 0.445 640 L N 2.348 123.489 121.223 -0.137 0.000 2.290 640 L HA 0.356 4.704 4.340 0.013 0.000 0.284 640 L C -0.066 176.790 176.870 -0.022 0.000 1.078 640 L CA -0.066 54.709 54.840 -0.109 0.000 0.815 640 L CB 0.488 42.403 42.059 -0.240 0.000 1.162 640 L HN 0.284 nan 8.230 nan 0.000 0.435 641 I N 5.735 126.364 120.570 0.098 0.000 2.355 641 I HA 0.422 4.600 4.170 0.013 0.000 0.288 641 I C 0.028 176.288 176.117 0.239 0.000 0.999 641 I CA -0.412 60.959 61.300 0.118 0.000 1.163 641 I CB 1.069 39.154 38.000 0.142 0.000 1.316 641 I HN 0.601 nan 8.210 nan 0.000 0.454 642 M N 4.353 124.024 119.600 0.118 0.000 2.602 642 M HA 0.671 5.159 4.480 0.013 0.000 0.312 642 M C -1.914 174.416 176.300 0.049 0.000 1.181 642 M CA -0.502 54.953 55.300 0.258 0.000 0.910 642 M CB 2.633 35.383 32.600 0.251 0.000 1.723 642 M HN 0.195 nan 8.290 nan 0.000 0.459 643 F N 0.002 119.982 119.950 0.050 0.000 2.577 643 F HA 0.931 5.466 4.527 0.013 0.000 0.318 643 F C 0.386 176.060 175.800 -0.210 0.000 1.065 643 F CA -0.369 57.463 58.000 -0.281 0.000 0.929 643 F CB 2.646 40.921 39.000 -1.209 0.000 1.237 643 F HN 0.878 nan 8.300 nan 0.000 0.468 644 G N -0.019 108.808 108.800 0.044 0.000 2.677 644 G HA2 0.601 4.569 3.960 0.013 0.000 0.291 644 G HA3 0.601 4.569 3.960 0.013 0.000 0.291 644 G C -1.951 173.127 174.900 0.296 0.000 1.435 644 G CA -0.905 44.327 45.100 0.221 0.000 0.826 644 G HN 0.567 nan 8.290 nan 0.000 0.491 645 S N 0.065 116.011 115.700 0.409 0.000 2.619 645 S HA 0.423 4.901 4.470 0.013 0.000 0.280 645 S C -0.315 174.516 174.600 0.386 0.000 1.150 645 S CA -0.918 57.499 58.200 0.361 0.000 0.978 645 S CB 1.749 65.153 63.200 0.340 0.000 1.041 645 S HN 0.964 nan 8.310 nan 0.000 0.485 646 E N 2.707 123.166 120.200 0.433 0.000 2.415 646 E HA 0.195 4.552 4.350 0.013 0.000 0.262 646 E C 0.297 176.991 176.600 0.157 0.000 1.038 646 E CA -0.611 55.968 56.400 0.299 0.000 0.921 646 E CB 0.581 30.494 29.700 0.354 0.000 0.950 646 E HN 0.321 nan 8.360 nan 0.000 0.438 647 R N 1.341 121.886 120.500 0.076 0.000 2.161 647 R HA 0.191 4.538 4.340 0.013 0.000 0.213 647 R C 0.250 176.477 176.300 -0.121 0.000 1.055 647 R CA 0.966 57.071 56.100 0.007 0.000 0.996 647 R CB -0.320 29.962 30.300 -0.029 0.000 0.901 647 R HN 0.628 nan 8.270 nan 0.000 0.456 648 A N 0.404 123.130 122.820 -0.157 0.000 2.594 648 A HA 0.375 4.703 4.320 0.013 0.000 0.291 648 A C -1.048 176.509 177.584 -0.045 0.000 1.105 648 A CA -0.699 51.179 52.037 -0.265 0.000 0.694 648 A CB 1.437 20.085 19.000 -0.586 0.000 1.291 648 A HN 0.093 nan 8.150 nan 0.000 0.410 649 E N 0.478 120.689 120.200 0.019 0.000 2.414 649 E HA 0.139 4.497 4.350 0.013 0.000 0.263 649 E C -0.145 176.511 176.600 0.093 0.000 1.000 649 E CA 0.658 57.113 56.400 0.092 0.000 0.914 649 E CB -0.090 29.691 29.700 0.135 0.000 0.948 649 E HN 0.658 nan 8.360 nan 0.000 0.444 650 N N 2.695 121.475 118.700 0.133 0.000 2.776 650 N HA -0.197 4.551 4.740 0.013 0.000 0.249 650 N C -0.205 175.380 175.510 0.124 0.000 1.111 650 N CA 0.660 53.791 53.050 0.136 0.000 0.711 650 N CB -0.416 38.136 38.487 0.107 0.000 1.065 650 N HN 0.597 nan 8.380 nan 0.000 0.556 651 E N -0.938 119.343 120.200 0.135 0.000 2.447 651 E HA -0.018 4.340 4.350 0.013 0.000 0.204 651 E C 1.302 177.948 176.600 0.077 0.000 0.977 651 E CA -0.340 56.126 56.400 0.111 0.000 0.950 651 E CB 0.116 29.866 29.700 0.083 0.000 0.975 651 E HN 0.434 nan 8.360 nan 0.000 0.496 652 W N 2.765 124.008 121.300 -0.094 0.000 2.333 652 W HA -0.147 4.521 4.660 0.013 0.000 0.316 652 W C 0.207 176.650 176.519 -0.126 0.000 1.215 652 W CA 1.341 58.548 57.345 -0.229 0.000 1.278 652 W CB 0.108 29.434 29.460 -0.223 0.000 1.154 652 W HN -0.052 nan 8.180 nan 0.000 0.486 653 E N 0.161 120.460 120.200 0.165 0.000 2.408 653 E HA 0.240 4.598 4.350 0.013 0.000 0.259 653 E C 0.193 176.803 176.600 0.018 0.000 1.110 653 E CA 0.168 56.610 56.400 0.069 0.000 0.929 653 E CB 0.405 30.127 29.700 0.037 0.000 0.971 653 E HN 0.091 nan 8.360 nan 0.000 0.438 654 A N 1.433 124.231 122.820 -0.037 0.000 2.520 654 A HA 0.414 4.741 4.320 0.013 0.000 0.245 654 A C 1.341 178.871 177.584 -0.090 0.000 1.072 654 A CA 0.509 52.499 52.037 -0.078 0.000 0.761 654 A CB -0.731 18.267 19.000 -0.002 0.000 1.004 654 A HN 0.878 nan 8.150 nan 0.000 0.499 655 G N 0.810 109.523 108.800 -0.144 0.000 2.179 655 G HA2 0.106 4.074 3.960 0.013 0.000 0.260 655 G HA3 0.106 4.074 3.960 0.013 0.000 0.260 655 G C 0.589 175.445 174.900 -0.073 0.000 0.977 655 G CA 0.501 45.538 45.100 -0.105 0.000 0.641 655 G HN 2.236 nan 8.290 nan 0.000 0.533 656 A N 1.525 124.313 122.820 -0.053 0.000 2.409 656 A HA 0.649 4.977 4.320 0.013 0.000 0.267 656 A C -1.063 176.524 177.584 0.006 0.000 1.127 656 A CA -0.514 51.524 52.037 0.002 0.000 0.795 656 A CB 0.353 19.386 19.000 0.054 0.000 1.061 656 A HN 0.294 nan 8.150 nan 0.000 0.502 657 P HA 0.210 nan 4.420 nan 0.000 0.278 657 P C -0.784 176.553 177.300 0.063 0.000 1.238 657 P CA -0.484 62.633 63.100 0.029 0.000 0.794 657 P CB 0.560 32.277 31.700 0.029 0.000 0.955 658 D N 1.107 121.560 120.400 0.087 0.000 2.548 658 D HA 0.001 4.649 4.640 0.013 0.000 0.231 658 D C 0.077 176.406 176.300 0.048 0.000 1.142 658 D CA 1.196 55.247 54.000 0.086 0.000 0.866 658 D CB 0.030 40.886 40.800 0.094 0.000 1.190 658 D HN 0.310 nan 8.370 nan 0.000 0.469 659 D N 1.712 122.115 120.400 0.004 0.000 2.468 659 D HA 0.126 4.774 4.640 0.013 0.000 0.272 659 D C -0.454 175.828 176.300 -0.029 0.000 1.221 659 D CA -0.555 53.458 54.000 0.021 0.000 0.860 659 D CB 0.275 41.098 40.800 0.037 0.000 1.190 659 D HN 0.074 nan 8.370 nan 0.000 0.509 660 R N 0.849 121.347 120.500 -0.002 0.000 2.810 660 R HA 0.399 4.747 4.340 0.013 0.000 0.245 660 R C 0.345 176.775 176.300 0.217 0.000 1.168 660 R CA -0.652 55.414 56.100 -0.057 0.000 1.096 660 R CB 0.168 30.261 30.300 -0.345 0.000 1.259 660 R HN 0.458 nan 8.270 nan 0.000 0.518 661 Y N -1.587 118.912 120.300 0.332 0.000 4.841 661 Y HA -0.346 4.212 4.550 0.013 0.000 0.242 661 Y C 0.248 176.245 175.900 0.161 0.000 1.002 661 Y CA 1.417 59.637 58.100 0.200 0.000 2.011 661 Y CB -1.339 37.196 38.460 0.126 0.000 1.554 661 Y HN 0.542 nan 8.280 nan 0.000 0.618 662 K N -0.007 120.591 120.400 0.330 0.000 2.501 662 K HA 0.876 5.204 4.320 0.013 0.000 0.252 662 K C -0.434 176.290 176.600 0.207 0.000 0.934 662 K CA -0.479 55.937 56.287 0.215 0.000 0.797 662 K CB 2.106 34.714 32.500 0.179 0.000 1.270 662 K HN 0.148 nan 8.250 nan 0.000 0.431 663 A N 1.983 124.855 122.820 0.087 0.000 2.567 663 A HA 0.349 4.676 4.320 0.013 0.000 0.240 663 A C 0.055 177.703 177.584 0.107 0.000 1.053 663 A CA 0.704 52.766 52.037 0.042 0.000 0.755 663 A CB -0.455 18.587 19.000 0.070 0.000 0.978 663 A HN 0.978 nan 8.150 nan 0.000 0.507 664 S N 1.183 116.918 115.700 0.058 0.000 2.752 664 S HA 0.668 5.146 4.470 0.013 0.000 0.284 664 S C -1.176 173.318 174.600 -0.177 0.000 1.189 664 S CA -0.624 57.613 58.200 0.062 0.000 0.835 664 S CB 0.688 63.992 63.200 0.172 0.000 1.192 664 S HN 0.571 nan 8.310 nan 0.000 0.506 665 Y N 1.950 122.300 120.300 0.083 0.000 2.837 665 Y HA 0.444 5.002 4.550 0.013 0.000 0.356 665 Y C -2.483 173.434 175.900 0.028 0.000 1.035 665 Y CA -1.987 56.135 58.100 0.037 0.000 1.165 665 Y CB 1.167 39.641 38.460 0.023 0.000 1.147 665 Y HN 0.427 nan 8.280 nan 0.000 0.628 666 P HA 0.032 nan 4.420 nan 0.000 0.266 666 P C -0.401 176.927 177.300 0.046 0.000 1.195 666 P CA 0.045 63.199 63.100 0.089 0.000 0.768 666 P CB 1.041 32.786 31.700 0.075 0.000 0.838 667 R N 1.172 121.662 120.500 -0.017 0.000 2.357 667 R HA 0.435 4.783 4.340 0.013 0.000 0.296 667 R C 0.353 176.421 176.300 -0.387 0.000 1.052 667 R CA -0.246 55.683 56.100 -0.285 0.000 0.988 667 R CB 0.602 30.602 30.300 -0.501 0.000 1.025 667 R HN 0.404 nan 8.270 nan 0.000 0.469 668 T N 3.470 117.749 114.554 -0.459 0.000 2.824 668 T HA 0.508 4.866 4.350 0.013 0.000 0.280 668 T C -0.895 173.422 174.700 -0.638 0.000 0.995 668 T CA -0.263 61.630 62.100 -0.345 0.000 1.009 668 T CB 0.446 69.260 68.868 -0.090 0.000 0.955 668 T HN 0.235 nan 8.240 nan 0.000 0.452 669 F N 2.334 122.096 119.950 -0.313 0.000 2.577 669 F HA 0.641 5.176 4.527 0.013 0.000 0.318 669 F C -0.327 175.400 175.800 -0.122 0.000 1.065 669 F CA -1.221 56.592 58.000 -0.312 0.000 0.929 669 F CB 1.535 40.156 39.000 -0.632 0.000 1.237 669 F HN 0.602 nan 8.300 nan 0.000 0.468 670 Y N 0.647 120.902 120.300 -0.075 0.000 2.602 670 Y HA 0.945 5.503 4.550 0.013 0.000 0.342 670 Y C -1.425 174.373 175.900 -0.170 0.000 1.029 670 Y CA -1.679 56.208 58.100 -0.356 0.000 1.080 670 Y CB 1.570 39.393 38.460 -1.062 0.000 1.284 670 Y HN 0.807 nan 8.280 nan 0.000 0.485 671 A N 2.902 125.445 122.820 -0.462 0.000 2.572 671 A HA 0.775 5.103 4.320 0.013 0.000 0.295 671 A C -1.466 175.885 177.584 -0.389 0.000 1.072 671 A CA -1.246 50.365 52.037 -0.711 0.000 0.691 671 A CB 1.663 19.941 19.000 -1.203 0.000 1.291 671 A HN 0.836 nan 8.150 nan 0.000 0.404 672 R N 0.688 120.974 120.500 -0.357 0.000 2.460 672 R HA 0.699 5.047 4.340 0.013 0.000 0.303 672 R C -1.398 174.750 176.300 -0.253 0.000 0.968 672 R CA -0.437 55.542 56.100 -0.202 0.000 0.889 672 R CB 1.443 31.665 30.300 -0.129 0.000 1.123 672 R HN 0.619 nan 8.270 nan 0.000 0.455 673 L N 2.350 123.449 121.223 -0.208 0.000 2.410 673 L HA 0.337 4.685 4.340 0.013 0.000 0.270 673 L C -0.384 176.397 176.870 -0.148 0.000 0.983 673 L CA -0.798 53.908 54.840 -0.222 0.000 0.822 673 L CB 2.175 44.057 42.059 -0.295 0.000 1.285 673 L HN 0.586 nan 8.230 nan 0.000 0.409 674 N N 1.852 120.482 118.700 -0.116 0.000 2.458 674 N HA 0.077 4.825 4.740 0.013 0.000 0.270 674 N C 0.888 176.419 175.510 0.034 0.000 1.102 674 N CA -0.202 52.818 53.050 -0.050 0.000 0.967 674 N CB 2.164 40.623 38.487 -0.048 0.000 1.078 674 N HN 0.565 nan 8.380 nan 0.000 0.471 675 V N 1.977 121.942 119.914 0.085 0.000 2.667 675 V HA -0.090 4.038 4.120 0.013 0.000 0.252 675 V C 1.434 177.667 176.094 0.232 0.000 1.065 675 V CA 1.420 63.870 62.300 0.251 0.000 1.083 675 V CB -0.667 31.287 31.823 0.218 0.000 0.692 675 V HN 0.600 nan 8.190 nan 0.000 0.468 676 N N 1.458 120.229 118.700 0.117 0.000 2.171 676 N HA -0.129 4.618 4.740 0.013 0.000 0.184 676 N C 1.831 177.405 175.510 0.106 0.000 1.021 676 N CA 1.459 54.559 53.050 0.083 0.000 0.854 676 N CB -0.332 38.177 38.487 0.037 0.000 0.994 676 N HN 0.644 nan 8.380 nan 0.000 0.426 677 N N 0.259 119.012 118.700 0.089 0.000 2.331 677 N HA -0.188 4.560 4.740 0.013 0.000 0.180 677 N C -0.373 175.212 175.510 0.125 0.000 1.019 677 N CA 0.207 53.294 53.050 0.062 0.000 0.881 677 N CB -0.164 38.318 38.487 -0.008 0.000 0.972 677 N HN 0.328 nan 8.380 nan 0.000 0.435 678 W N 1.324 122.575 121.300 -0.082 0.000 7.223 678 W HA -0.287 4.381 4.660 0.013 0.000 0.419 678 W C -1.027 175.418 176.519 -0.124 0.000 1.661 678 W CA 0.765 58.052 57.345 -0.095 0.000 1.173 678 W CB -1.407 28.018 29.460 -0.058 0.000 2.887 678 W HN 0.371 nan 8.180 nan 0.000 1.606 679 N N 0.871 119.361 118.700 -0.351 0.000 2.537 679 N HA 0.429 5.176 4.740 0.013 0.000 0.281 679 N C 0.124 175.395 175.510 -0.399 0.000 1.097 679 N CA 0.329 53.164 53.050 -0.357 0.000 0.964 679 N CB 1.197 39.580 38.487 -0.174 0.000 1.588 679 N HN 0.011 nan 8.380 nan 0.000 0.511 680 A N 2.552 125.081 122.820 -0.485 0.000 2.308 680 A HA 0.113 4.441 4.320 0.013 0.000 0.217 680 A C 1.079 178.488 177.584 -0.291 0.000 1.216 680 A CA 0.207 51.959 52.037 -0.475 0.000 0.864 680 A CB 0.035 18.581 19.000 -0.755 0.000 0.902 680 A HN 0.764 nan 8.150 nan 0.000 0.499 681 D N 1.094 121.356 120.400 -0.230 0.000 2.172 681 D HA -0.136 4.512 4.640 0.013 0.000 0.196 681 D C 0.225 176.460 176.300 -0.107 0.000 0.999 681 D CA 1.358 55.266 54.000 -0.153 0.000 0.856 681 D CB -0.013 40.714 40.800 -0.121 0.000 0.934 681 D HN 0.365 nan 8.370 nan 0.000 0.453 682 D N -0.075 120.252 120.400 -0.121 0.000 2.559 682 D HA 0.131 4.779 4.640 0.013 0.000 0.234 682 D C 0.584 176.803 176.300 -0.135 0.000 1.226 682 D CA -0.363 53.587 54.000 -0.085 0.000 0.830 682 D CB 0.306 41.061 40.800 -0.075 0.000 1.028 682 D HN 0.244 nan 8.370 nan 0.000 0.492 683 I N 1.322 121.780 120.570 -0.186 0.000 2.775 683 I HA -0.112 4.066 4.170 0.013 0.000 0.290 683 I C 0.044 175.979 176.117 -0.303 0.000 1.203 683 I CA 0.546 61.656 61.300 -0.317 0.000 1.433 683 I CB 0.523 38.288 38.000 -0.391 0.000 1.354 683 I HN -0.140 nan 8.210 nan 0.000 0.579 684 E N 7.161 127.089 120.200 -0.454 0.000 2.063 684 E HA 0.155 4.513 4.350 0.013 0.000 0.265 684 E C -1.622 174.688 176.600 -0.484 0.000 0.919 684 E CA -0.408 55.699 56.400 -0.488 0.000 0.756 684 E CB 0.696 29.880 29.700 -0.860 0.000 1.120 684 E HN 0.484 nan 8.360 nan 0.000 0.414 685 W N 2.910 124.133 121.300 -0.128 0.000 2.388 685 W HA 0.223 4.891 4.660 0.013 0.000 0.308 685 W C -0.288 176.163 176.519 -0.113 0.000 1.263 685 W CA -0.613 56.595 57.345 -0.228 0.000 1.286 685 W CB 0.796 29.992 29.460 -0.440 0.000 1.294 685 W HN 0.194 nan 8.180 nan 0.000 0.493 686 V N 4.497 124.413 119.914 0.004 0.000 2.334 686 V HA 0.078 4.206 4.120 0.013 0.000 0.281 686 V C 0.068 176.132 176.094 -0.049 0.000 1.016 686 V CA -1.169 61.095 62.300 -0.061 0.000 0.832 686 V CB 0.920 32.585 31.823 -0.264 0.000 0.999 686 V HN 0.418 nan 8.190 nan 0.000 0.439 687 N N 4.305 122.863 118.700 -0.238 0.000 2.427 687 N HA 0.161 4.909 4.740 0.013 0.000 0.269 687 N C 0.630 175.997 175.510 -0.238 0.000 1.235 687 N CA 0.025 52.711 53.050 -0.607 0.000 0.934 687 N CB 0.555 38.557 38.487 -0.809 0.000 1.121 687 N HN 0.719 nan 8.380 nan 0.000 0.480 688 I N -0.303 120.140 120.570 -0.211 0.000 4.139 688 I HA 0.348 4.525 4.170 0.013 0.000 0.320 688 I C 0.633 176.716 176.117 -0.056 0.000 1.290 688 I CA -0.235 61.012 61.300 -0.088 0.000 1.253 688 I CB 0.389 38.278 38.000 -0.185 0.000 1.122 688 I HN 0.336 nan 8.210 nan 0.000 0.421 689 T N -0.041 114.452 114.554 -0.102 0.000 2.885 689 T HA 0.390 4.748 4.350 0.013 0.000 0.322 689 T C -2.063 172.619 174.700 -0.031 0.000 1.387 689 T CA -0.520 61.590 62.100 0.016 0.000 1.041 689 T CB 1.918 70.884 68.868 0.163 0.000 1.287 689 T HN 0.038 nan 8.240 nan 0.000 0.491 690 D N 2.340 122.748 120.400 0.012 0.000 2.362 690 D HA 0.670 5.317 4.640 0.013 0.000 0.247 690 D C -0.360 175.965 176.300 0.042 0.000 1.050 690 D CA -0.226 53.789 54.000 0.025 0.000 0.839 690 D CB 2.029 42.857 40.800 0.046 0.000 1.283 690 D HN 0.325 nan 8.370 nan 0.000 0.477 691 Q N 0.438 120.255 119.800 0.028 0.000 2.427 691 Q HA 0.647 4.995 4.340 0.013 0.000 0.232 691 Q C -0.459 175.491 176.000 -0.082 0.000 1.018 691 Q CA -0.648 55.101 55.803 -0.090 0.000 0.965 691 Q CB 1.550 30.218 28.738 -0.118 0.000 1.232 691 Q HN 0.413 nan 8.270 nan 0.000 0.510 692 I N 0.901 121.324 120.570 -0.244 0.000 2.433 692 I HA 0.295 4.473 4.170 0.013 0.000 0.292 692 I C -1.254 174.695 176.117 -0.279 0.000 1.001 692 I CA -0.996 60.044 61.300 -0.434 0.000 1.119 692 I CB 1.339 38.944 38.000 -0.657 0.000 1.289 692 I HN 0.529 nan 8.210 nan 0.000 0.438 693 Y N 6.228 126.323 120.300 -0.341 0.000 2.335 693 Y HA 0.188 4.746 4.550 0.013 0.000 0.339 693 Y C 1.116 176.871 175.900 -0.242 0.000 0.987 693 Y CA -0.102 57.859 58.100 -0.231 0.000 1.140 693 Y CB 1.233 39.614 38.460 -0.132 0.000 1.173 693 Y HN 0.587 nan 8.280 nan 0.000 0.486 694 Q N 4.495 123.812 119.800 -0.805 0.000 2.083 694 Q HA 0.024 4.372 4.340 0.013 0.000 0.198 694 Q C 1.429 177.044 176.000 -0.641 0.000 0.969 694 Q CA 2.031 57.462 55.803 -0.620 0.000 0.838 694 Q CB -0.218 28.252 28.738 -0.447 0.000 0.900 694 Q HN 1.260 nan 8.270 nan 0.000 0.436 695 G N -1.663 106.498 108.800 -1.065 0.000 2.213 695 G HA2 -0.254 3.713 3.960 0.013 0.000 0.226 695 G HA3 -0.254 3.713 3.960 0.013 0.000 0.226 695 G C 0.918 175.735 174.900 -0.138 0.000 0.992 695 G CA 0.627 45.397 45.100 -0.551 0.000 0.632 695 G HN 0.583 nan 8.290 nan 0.000 0.511 696 G N 0.397 109.100 108.800 -0.163 0.000 2.443 696 G HA2 0.362 4.330 3.960 0.013 0.000 0.219 696 G HA3 0.362 4.330 3.960 0.013 0.000 0.219 696 G C 0.954 175.961 174.900 0.178 0.000 1.131 696 G CA 1.399 46.507 45.100 0.013 0.000 0.775 696 G HN 1.544 nan 8.290 nan 0.000 0.547 697 I N -4.415 116.203 120.570 0.080 0.000 3.174 697 I HA 0.542 4.720 4.170 0.013 0.000 0.313 697 I C 1.072 177.187 176.117 -0.004 0.000 1.155 697 I CA -1.078 60.321 61.300 0.166 0.000 0.977 697 I CB 1.772 39.794 38.000 0.036 0.000 1.248 697 I HN -0.201 nan 8.210 nan 0.000 0.453 698 V N 2.524 122.366 119.914 -0.120 0.000 2.343 698 V HA -0.142 3.986 4.120 0.013 0.000 0.247 698 V C 1.096 177.095 176.094 -0.158 0.000 1.051 698 V CA 1.690 63.746 62.300 -0.406 0.000 1.036 698 V CB -0.841 30.801 31.823 -0.302 0.000 0.654 698 V HN 0.880 nan 8.190 nan 0.000 0.451 699 N N 0.108 118.726 118.700 -0.137 0.000 2.444 699 N HA 0.275 5.023 4.740 0.013 0.000 0.255 699 N C -0.486 175.053 175.510 0.048 0.000 1.255 699 N CA 0.472 53.370 53.050 -0.254 0.000 0.933 699 N CB 0.872 38.892 38.487 -0.778 0.000 1.143 699 N HN 0.311 nan 8.380 nan 0.000 0.453 700 S N -0.930 114.826 115.700 0.094 0.000 2.526 700 S HA 0.577 5.055 4.470 0.013 0.000 0.293 700 S C 0.629 175.408 174.600 0.300 0.000 1.092 700 S CA -0.803 57.557 58.200 0.266 0.000 0.980 700 S CB 1.375 64.681 63.200 0.176 0.000 1.048 700 S HN 0.644 nan 8.310 nan 0.000 0.483 701 G N 1.793 110.691 108.800 0.165 0.000 2.986 701 G HA2 0.225 4.193 3.960 0.013 0.000 0.213 701 G HA3 0.225 4.193 3.960 0.013 0.000 0.213 701 G C 0.561 175.400 174.900 -0.102 0.000 1.156 701 G CA 0.520 45.592 45.100 -0.046 0.000 0.763 701 G HN 1.050 nan 8.290 nan 0.000 0.547 702 V N -0.045 119.871 119.914 0.003 0.000 2.715 702 V HA 0.632 4.759 4.120 0.013 0.000 0.299 702 V C 0.983 177.148 176.094 0.118 0.000 1.054 702 V CA 0.747 63.067 62.300 0.034 0.000 1.077 702 V CB 0.699 32.555 31.823 0.055 0.000 0.972 702 V HN 1.386 nan 8.190 nan 0.000 0.484 703 G N 3.275 112.218 108.800 0.238 0.000 2.509 703 G HA2 -0.043 3.924 3.960 0.013 0.000 0.256 703 G HA3 -0.043 3.924 3.960 0.013 0.000 0.256 703 G C 0.505 175.565 174.900 0.268 0.000 1.152 703 G CA 0.619 45.928 45.100 0.348 0.000 0.951 703 G HN 2.556 nan 8.290 nan 0.000 0.559 704 V N -2.072 118.011 119.914 0.282 0.000 5.720 704 V HA 0.162 4.290 4.120 0.013 0.000 0.167 704 V C 1.131 177.418 176.094 0.321 0.000 0.719 704 V CA 1.903 64.387 62.300 0.306 0.000 0.518 704 V CB -1.868 30.134 31.823 0.299 0.000 0.203 704 V HN 2.515 nan 8.190 nan 0.000 0.402 705 G N 0.956 109.994 108.800 0.396 0.000 2.736 705 G HA2 0.763 4.731 3.960 0.013 0.000 0.229 705 G HA3 0.763 4.731 3.960 0.013 0.000 0.229 705 G C -0.268 174.859 174.900 0.379 0.000 1.380 705 G CA -0.255 45.044 45.100 0.332 0.000 1.040 705 G HN 1.670 nan 8.290 nan 0.000 0.568 706 S N -2.607 113.303 115.700 0.349 0.000 2.547 706 S HA 0.593 5.071 4.470 0.013 0.000 0.270 706 S C -1.668 173.127 174.600 0.325 0.000 1.150 706 S CA -0.473 57.911 58.200 0.308 0.000 0.850 706 S CB 1.813 65.146 63.200 0.222 0.000 1.118 706 S HN 0.711 nan 8.310 nan 0.000 0.461 707 V N 3.181 123.263 119.914 0.280 0.000 2.760 707 V HA 0.816 4.944 4.120 0.013 0.000 0.309 707 V C -0.522 175.714 176.094 0.236 0.000 1.077 707 V CA -0.490 61.966 62.300 0.260 0.000 0.910 707 V CB 1.627 33.621 31.823 0.286 0.000 1.008 707 V HN 0.981 nan 8.190 nan 0.000 0.424 708 V N 2.418 122.489 119.914 0.261 0.000 3.114 708 V HA 0.857 4.984 4.120 0.013 0.000 0.308 708 V C -0.993 175.303 176.094 0.337 0.000 1.168 708 V CA -0.847 61.610 62.300 0.261 0.000 1.015 708 V CB 2.104 34.042 31.823 0.193 0.000 1.050 708 V HN 0.475 nan 8.190 nan 0.000 0.433 709 V N 2.034 122.132 119.914 0.307 0.000 2.513 709 V HA 0.659 4.787 4.120 0.013 0.000 0.299 709 V C -0.226 176.047 176.094 0.299 0.000 1.035 709 V CA -0.499 61.995 62.300 0.324 0.000 0.889 709 V CB 1.723 33.699 31.823 0.256 0.000 0.988 709 V HN 1.073 nan 8.190 nan 0.000 0.440 710 K N 3.966 124.590 120.400 0.373 0.000 2.541 710 K HA 0.411 4.738 4.320 0.013 0.000 0.250 710 K C -0.377 176.386 176.600 0.271 0.000 0.950 710 K CA -0.436 56.015 56.287 0.273 0.000 0.805 710 K CB 1.369 33.991 32.500 0.203 0.000 1.166 710 K HN 0.789 nan 8.250 nan 0.000 0.430 711 D N 2.440 122.944 120.400 0.173 0.000 3.927 711 D HA -0.345 4.303 4.640 0.013 0.000 0.142 711 D C 0.342 176.693 176.300 0.084 0.000 0.830 711 D CA 2.427 56.505 54.000 0.130 0.000 1.091 711 D CB -0.649 40.244 40.800 0.154 0.000 0.495 711 D HN 0.927 nan 8.370 nan 0.000 0.489 712 N N -0.187 118.520 118.700 0.012 0.000 2.235 712 N HA 0.188 4.936 4.740 0.013 0.000 0.209 712 N C -0.450 174.758 175.510 -0.502 0.000 1.122 712 N CA -0.143 52.777 53.050 -0.217 0.000 0.845 712 N CB 0.220 38.533 38.487 -0.289 0.000 1.004 712 N HN 0.262 nan 8.380 nan 0.000 0.499 713 Y N 0.386 120.693 120.300 0.011 0.000 2.524 713 Y HA 0.515 5.073 4.550 0.012 0.000 0.344 713 Y C -0.466 175.383 175.900 -0.086 0.000 1.012 713 Y CA -1.283 56.736 58.100 -0.135 0.000 1.068 713 Y CB 1.707 39.943 38.460 -0.373 0.000 1.249 713 Y HN -0.049 nan 8.280 nan 0.000 0.468 714 I N 2.268 122.839 120.570 0.002 0.000 2.530 714 I HA 0.491 4.669 4.170 0.013 0.000 0.297 714 I C -1.755 174.340 176.117 -0.037 0.000 1.011 714 I CA -0.894 60.477 61.300 0.118 0.000 1.107 714 I CB 1.322 39.449 38.000 0.213 0.000 1.285 714 I HN 0.595 nan 8.210 nan 0.000 0.436 715 Y N 6.324 126.701 120.300 0.127 0.000 2.361 715 Y HA 0.340 4.897 4.550 0.013 0.000 0.337 715 Y C -1.111 174.802 175.900 0.020 0.000 0.965 715 Y CA -0.734 57.423 58.100 0.096 0.000 1.091 715 Y CB 1.574 40.113 38.460 0.132 0.000 1.182 715 Y HN 0.412 nan 8.280 nan 0.000 0.450 716 Y N 4.397 124.623 120.300 -0.123 0.000 2.369 716 Y HA 0.623 5.181 4.550 0.013 0.000 0.337 716 Y C -1.297 174.703 175.900 0.167 0.000 0.961 716 Y CA -2.075 55.874 58.100 -0.252 0.000 1.186 716 Y CB 0.853 38.762 38.460 -0.919 0.000 1.139 716 Y HN 0.662 nan 8.280 nan 0.000 0.494 717 M N 9.062 128.683 119.600 0.034 0.000 2.129 717 M HA 0.470 4.958 4.480 0.013 0.000 0.348 717 M C -1.261 175.008 176.300 -0.052 0.000 1.116 717 M CA -0.182 55.116 55.300 -0.003 0.000 1.022 717 M CB 0.686 33.274 32.600 -0.019 0.000 1.599 717 M HN 0.555 nan 8.290 nan 0.000 0.449 718 F N -0.275 119.417 119.950 -0.429 0.000 2.741 718 F HA 0.948 5.482 4.527 0.013 0.000 0.313 718 F C -0.159 175.529 175.800 -0.187 0.000 1.153 718 F CA -1.531 56.242 58.000 -0.378 0.000 0.931 718 F CB 0.807 39.369 39.000 -0.730 0.000 1.335 718 F HN 0.527 nan 8.300 nan 0.000 0.460 719 G N -0.440 108.246 108.800 -0.191 0.000 2.448 719 G HA2 0.578 4.546 3.960 0.013 0.000 0.285 719 G HA3 0.578 4.546 3.960 0.013 0.000 0.285 719 G C -0.755 173.998 174.900 -0.244 0.000 1.176 719 G CA -0.497 44.456 45.100 -0.244 0.000 0.852 719 G HN 1.242 nan 8.290 nan 0.000 0.530 720 G N -0.091 108.626 108.800 -0.139 0.000 2.733 720 G HA2 0.598 4.565 3.960 0.013 0.000 0.297 720 G HA3 0.598 4.565 3.960 0.013 0.000 0.297 720 G C -0.864 173.983 174.900 -0.089 0.000 1.422 720 G CA -0.633 44.347 45.100 -0.199 0.000 0.942 720 G HN 0.571 nan 8.290 nan 0.000 0.510 721 E N -0.594 119.500 120.200 -0.176 0.000 2.284 721 E HA 0.565 4.922 4.350 0.013 0.000 0.255 721 E C -0.640 175.814 176.600 -0.243 0.000 1.052 721 E CA -0.688 55.586 56.400 -0.210 0.000 0.904 721 E CB 1.457 31.002 29.700 -0.260 0.000 1.217 721 E HN 0.655 nan 8.360 nan 0.000 0.438 722 D N -1.878 118.358 120.400 -0.274 0.000 2.727 722 D HA 0.174 4.822 4.640 0.013 0.000 0.264 722 D C 0.352 176.351 176.300 -0.501 0.000 1.101 722 D CA -0.546 53.234 54.000 -0.366 0.000 1.122 722 D CB 0.246 40.924 40.800 -0.204 0.000 1.390 722 D HN 0.329 nan 8.370 nan 0.000 0.606 723 H N -1.289 117.528 119.070 -0.422 0.000 2.547 723 H HA 0.175 4.739 4.556 0.013 0.000 0.266 723 H C -0.228 174.861 175.328 -0.398 0.000 0.988 723 H CA 0.051 55.848 56.048 -0.418 0.000 1.147 723 H CB -0.234 29.290 29.762 -0.397 0.000 1.365 723 H HN 0.191 nan 8.280 nan 0.000 0.589 724 F N 2.029 121.912 119.950 -0.113 0.000 2.438 724 F HA 0.070 4.605 4.527 0.013 0.000 0.360 724 F C 1.226 176.796 175.800 -0.383 0.000 1.118 724 F CA -0.820 57.069 58.000 -0.185 0.000 1.164 724 F CB 0.019 38.939 39.000 -0.134 0.000 1.131 724 F HN -0.030 nan 8.300 nan 0.000 0.527 725 N N 6.210 124.636 118.700 -0.457 0.000 2.454 725 N HA 0.014 4.762 4.740 0.013 0.000 0.260 725 N C -1.486 173.392 175.510 -1.053 0.000 1.218 725 N CA -1.102 51.406 53.050 -0.904 0.000 0.904 725 N CB 1.245 38.760 38.487 -1.620 0.000 1.065 725 N HN 0.217 nan 8.380 nan 0.000 0.462 726 P HA -0.049 nan 4.420 nan 0.000 0.233 726 P C -0.496 176.688 177.300 -0.194 0.000 1.167 726 P CA 0.669 63.578 63.100 -0.318 0.000 0.770 726 P CB -0.099 31.622 31.700 0.035 0.000 0.837 727 W N -1.872 119.447 121.300 0.032 0.000 4.034 727 W HA -0.188 4.480 4.660 0.013 0.000 0.345 727 W C 1.187 177.711 176.519 0.009 0.000 1.308 727 W CA 0.162 57.527 57.345 0.034 0.000 0.740 727 W CB -3.148 26.326 29.460 0.023 0.000 2.404 727 W HN -0.086 nan 8.180 nan 0.000 1.353 728 T N -1.138 113.467 114.554 0.084 0.000 2.720 728 T HA -0.211 4.146 4.350 0.013 0.000 0.268 728 T C 0.451 175.065 174.700 -0.143 0.000 1.037 728 T CA 1.477 63.518 62.100 -0.098 0.000 1.144 728 T CB -0.246 68.440 68.868 -0.303 0.000 0.864 728 T HN 0.198 nan 8.240 nan 0.000 0.444 729 Y N 1.060 121.483 120.300 0.205 0.000 2.676 729 Y HA 0.552 5.110 4.550 0.013 0.000 0.338 729 Y C 0.971 177.020 175.900 0.247 0.000 1.057 729 Y CA -0.630 57.583 58.100 0.187 0.000 1.314 729 Y CB 0.724 39.282 38.460 0.163 0.000 1.164 729 Y HN 0.291 nan 8.280 nan 0.000 0.509 730 G N 1.837 110.823 108.800 0.311 0.000 2.403 730 G HA2 -0.116 3.852 3.960 0.013 0.000 0.223 730 G HA3 -0.116 3.852 3.960 0.013 0.000 0.223 730 G C -0.785 174.193 174.900 0.131 0.000 1.287 730 G CA -0.231 44.999 45.100 0.216 0.000 0.982 730 G HN 0.440 nan 8.290 nan 0.000 0.471 731 D N -0.515 119.919 120.400 0.056 0.000 2.336 731 D HA 0.059 4.707 4.640 0.013 0.000 0.229 731 D C 0.675 177.024 176.300 0.081 0.000 1.061 731 D CA 0.503 54.520 54.000 0.027 0.000 0.875 731 D CB -0.048 40.715 40.800 -0.061 0.000 0.904 731 D HN 0.412 nan 8.370 nan 0.000 0.525 732 N N 0.142 118.931 118.700 0.148 0.000 2.610 732 N HA 0.019 4.767 4.740 0.013 0.000 0.307 732 N C 0.584 176.168 175.510 0.123 0.000 1.813 732 N CA 0.067 53.202 53.050 0.141 0.000 0.901 732 N CB 0.518 39.111 38.487 0.176 0.000 1.354 732 N HN 0.094 nan 8.380 nan 0.000 0.491 733 S N -0.990 114.772 115.700 0.102 0.000 2.474 733 S HA -0.070 4.408 4.470 0.013 0.000 0.235 733 S C 1.918 176.563 174.600 0.075 0.000 0.997 733 S CA 0.668 58.913 58.200 0.075 0.000 0.949 733 S CB 0.005 63.255 63.200 0.083 0.000 0.766 733 S HN 0.383 nan 8.310 nan 0.000 0.517 734 A N 1.782 124.653 122.820 0.085 0.000 2.172 734 A HA 0.117 4.445 4.320 0.013 0.000 0.216 734 A C 1.218 178.872 177.584 0.117 0.000 1.154 734 A CA 0.905 52.996 52.037 0.090 0.000 0.701 734 A CB -0.686 18.366 19.000 0.088 0.000 0.789 734 A HN 0.582 nan 8.150 nan 0.000 0.465 735 K N -0.613 119.871 120.400 0.139 0.000 3.160 735 K HA -0.179 4.149 4.320 0.013 0.000 0.280 735 K C -0.537 176.188 176.600 0.207 0.000 1.154 735 K CA 0.714 57.140 56.287 0.233 0.000 0.822 735 K CB -1.672 30.976 32.500 0.247 0.000 1.239 735 K HN 0.592 nan 8.250 nan 0.000 0.489 736 D N 0.779 121.244 120.400 0.108 0.000 2.502 736 D HA -0.010 4.637 4.640 0.013 0.000 0.249 736 D C -1.317 174.897 176.300 -0.143 0.000 1.188 736 D CA -1.599 52.434 54.000 0.056 0.000 0.890 736 D CB 0.945 41.799 40.800 0.091 0.000 1.140 736 D HN 0.006 nan 8.370 nan 0.000 0.505 737 P HA -0.098 nan 4.420 nan 0.000 0.219 737 P C 0.562 177.341 177.300 -0.869 0.000 1.146 737 P CA 0.961 63.573 63.100 -0.814 0.000 0.808 737 P CB 0.033 30.940 31.700 -1.322 0.000 0.779 738 F N -0.933 118.945 119.950 -0.119 0.000 2.693 738 F HA 0.185 4.720 4.527 0.013 0.000 0.303 738 F C 0.951 176.722 175.800 -0.047 0.000 1.097 738 F CA -0.096 57.855 58.000 -0.081 0.000 1.330 738 F CB -0.495 38.479 39.000 -0.044 0.000 1.067 738 F HN -0.306 nan 8.300 nan 0.000 0.565 739 K N 0.330 120.750 120.400 0.034 0.000 2.201 739 K HA 0.395 4.723 4.320 0.013 0.000 0.278 739 K C 0.907 177.515 176.600 0.013 0.000 1.027 739 K CA 0.060 56.371 56.287 0.041 0.000 0.909 739 K CB 1.548 34.079 32.500 0.053 0.000 1.062 739 K HN 0.086 nan 8.250 nan 0.000 0.465 740 S N 1.882 117.602 115.700 0.032 0.000 3.949 740 S HA -0.240 4.238 4.470 0.013 0.000 0.626 740 S C 0.378 174.946 174.600 -0.053 0.000 2.168 740 S CA 1.442 59.666 58.200 0.039 0.000 4.124 740 S CB -0.946 62.375 63.200 0.202 0.000 0.220 740 S HN 0.881 nan 8.310 nan 0.000 0.750 741 D N 2.766 123.110 120.400 -0.093 0.000 2.328 741 D HA 0.343 4.991 4.640 0.013 0.000 0.221 741 D C 1.323 177.489 176.300 -0.223 0.000 1.072 741 D CA 1.086 54.949 54.000 -0.229 0.000 0.850 741 D CB -0.236 40.328 40.800 -0.394 0.000 0.922 741 D HN 0.942 nan 8.370 nan 0.000 0.516 742 G N 1.322 109.967 108.800 -0.260 0.000 2.582 742 G HA2 -0.290 3.678 3.960 0.013 0.000 0.288 742 G HA3 -0.290 3.678 3.960 0.013 0.000 0.288 742 G C -0.377 174.221 174.900 -0.503 0.000 1.247 742 G CA -0.135 44.689 45.100 -0.461 0.000 0.972 742 G HN 0.495 nan 8.290 nan 0.000 0.557 743 H N 2.078 121.069 119.070 -0.132 0.000 2.467 743 H HA 0.446 5.010 4.556 0.013 0.000 0.326 743 H C -1.173 174.036 175.328 -0.198 0.000 1.094 743 H CA -1.322 54.644 56.048 -0.137 0.000 1.253 743 H CB 1.880 31.613 29.762 -0.048 0.000 1.439 743 H HN 0.315 nan 8.280 nan 0.000 0.479 744 P HA -0.110 nan 4.420 nan 0.000 0.223 744 P C 0.488 177.652 177.300 -0.226 0.000 1.151 744 P CA 0.586 63.595 63.100 -0.152 0.000 0.787 744 P CB 0.404 31.987 31.700 -0.194 0.000 0.788 745 S N 0.613 116.074 115.700 -0.398 0.000 2.505 745 S HA 0.198 4.676 4.470 0.013 0.000 0.276 745 S C -0.186 174.229 174.600 -0.308 0.000 1.274 745 S CA -0.142 57.788 58.200 -0.450 0.000 1.053 745 S CB -0.247 62.422 63.200 -0.886 0.000 0.919 745 S HN -0.050 nan 8.310 nan 0.000 0.490 746 D N 2.355 122.598 120.400 -0.262 0.000 2.596 746 D HA 0.376 5.023 4.640 0.013 0.000 0.262 746 D C -0.833 175.199 176.300 -0.445 0.000 1.210 746 D CA -0.480 53.313 54.000 -0.345 0.000 0.873 746 D CB 1.458 42.045 40.800 -0.355 0.000 1.408 746 D HN 0.424 nan 8.370 nan 0.000 0.441 747 L N 1.157 122.010 121.223 -0.617 0.000 2.334 747 L HA 0.439 4.787 4.340 0.013 0.000 0.277 747 L C -0.743 175.613 176.870 -0.857 0.000 1.075 747 L CA -0.553 53.908 54.840 -0.630 0.000 0.804 747 L CB 0.494 42.170 42.059 -0.638 0.000 1.174 747 L HN 0.279 nan 8.230 nan 0.000 0.438 748 Y N 0.653 120.542 120.300 -0.685 0.000 2.598 748 Y HA 0.527 5.085 4.550 0.013 0.000 0.340 748 Y C -0.220 175.423 175.900 -0.429 0.000 1.038 748 Y CA -0.721 57.009 58.100 -0.617 0.000 1.100 748 Y CB 2.079 40.054 38.460 -0.809 0.000 1.281 748 Y HN 0.485 nan 8.280 nan 0.000 0.488 749 C N 2.483 121.819 119.300 0.060 0.000 2.432 749 C HA 0.477 4.945 4.460 0.013 0.000 0.334 749 C C -1.403 173.877 174.990 0.482 0.000 1.155 749 C CA -0.849 58.313 59.018 0.239 0.000 1.335 749 C CB -0.884 26.892 27.740 0.059 0.000 1.964 749 C HN 0.788 nan 8.230 nan 0.000 0.444 750 Y N 4.979 125.540 120.300 0.434 0.000 2.383 750 Y HA 0.420 4.978 4.550 0.013 0.000 0.344 750 Y C 0.392 176.418 175.900 0.209 0.000 0.986 750 Y CA 0.357 58.657 58.100 0.333 0.000 1.175 750 Y CB 0.432 39.075 38.460 0.304 0.000 1.152 750 Y HN 0.710 nan 8.280 nan 0.000 0.511 751 K N 8.262 128.566 120.400 -0.159 0.000 2.316 751 K HA 0.371 4.699 4.320 0.013 0.000 0.267 751 K C -1.232 175.230 176.600 -0.231 0.000 1.025 751 K CA -0.604 55.551 56.287 -0.220 0.000 0.896 751 K CB 0.591 33.030 32.500 -0.102 0.000 1.124 751 K HN 0.827 nan 8.250 nan 0.000 0.451 752 M N 4.455 124.044 119.600 -0.019 0.000 2.321 752 M HA 0.278 4.766 4.480 0.013 0.000 0.315 752 M C -1.020 175.357 176.300 0.128 0.000 1.052 752 M CA -0.749 54.627 55.300 0.126 0.000 0.936 752 M CB 1.494 34.262 32.600 0.280 0.000 1.639 752 M HN 0.463 nan 8.290 nan 0.000 0.433 753 K N 3.209 123.667 120.400 0.096 0.000 2.368 753 K HA 0.171 4.499 4.320 0.013 0.000 0.282 753 K C -0.172 176.320 176.600 -0.181 0.000 1.035 753 K CA 0.027 56.207 56.287 -0.178 0.000 0.973 753 K CB 0.690 33.128 32.500 -0.102 0.000 0.957 753 K HN 0.712 nan 8.250 nan 0.000 0.474 754 I N 2.105 122.514 120.570 -0.269 0.000 4.526 754 I HA 0.270 4.448 4.170 0.013 0.000 0.330 754 I C 0.284 176.318 176.117 -0.139 0.000 1.323 754 I CA 0.059 61.271 61.300 -0.146 0.000 1.218 754 I CB 1.109 39.059 38.000 -0.084 0.000 1.233 754 I HN 0.750 nan 8.210 nan 0.000 0.430 755 G N 0.592 109.272 108.800 -0.200 0.000 2.559 755 G HA2 0.510 4.478 3.960 0.013 0.000 0.291 755 G HA3 0.510 4.478 3.960 0.013 0.000 0.291 755 G C -3.106 171.695 174.900 -0.164 0.000 1.424 755 G CA -0.765 44.249 45.100 -0.143 0.000 0.786 755 G HN -0.262 nan 8.290 nan 0.000 0.485 756 P HA 0.217 nan 4.420 nan 0.000 0.271 756 P C -1.202 176.053 177.300 -0.075 0.000 1.216 756 P CA 0.042 63.094 63.100 -0.080 0.000 0.776 756 P CB 1.368 33.040 31.700 -0.047 0.000 0.881 757 D N 2.070 122.441 120.400 -0.049 0.000 2.441 757 D HA 0.151 4.798 4.640 0.013 0.000 0.231 757 D C -0.001 176.307 176.300 0.012 0.000 1.073 757 D CA -0.310 53.687 54.000 -0.006 0.000 0.850 757 D CB -0.105 40.721 40.800 0.042 0.000 1.062 757 D HN 0.184 nan 8.370 nan 0.000 0.524 758 N N 2.131 120.839 118.700 0.014 0.000 2.313 758 N HA 0.119 4.867 4.740 0.013 0.000 0.207 758 N C 0.144 175.667 175.510 0.022 0.000 1.141 758 N CA -0.044 53.014 53.050 0.014 0.000 0.830 758 N CB 0.704 39.196 38.487 0.009 0.000 1.008 758 N HN 0.063 nan 8.380 nan 0.000 0.481 759 R N 0.046 120.567 120.500 0.034 0.000 2.778 759 R HA 0.447 4.794 4.340 0.013 0.000 0.277 759 R C -0.411 175.913 176.300 0.040 0.000 0.977 759 R CA -0.870 55.252 56.100 0.037 0.000 0.950 759 R CB 1.944 32.270 30.300 0.044 0.000 1.165 759 R HN -0.074 nan 8.270 nan 0.000 0.474 760 V N 1.272 121.207 119.914 0.035 0.000 3.139 760 V HA -0.065 4.063 4.120 0.013 0.000 0.307 760 V C 0.695 176.816 176.094 0.044 0.000 1.095 760 V CA 0.454 62.775 62.300 0.035 0.000 1.160 760 V CB 1.614 33.455 31.823 0.029 0.000 1.003 760 V HN 0.797 nan 8.190 nan 0.000 0.489 761 S N 2.138 117.864 115.700 0.044 0.000 2.552 761 S HA 0.081 4.559 4.470 0.013 0.000 0.289 761 S C 0.891 175.523 174.600 0.054 0.000 1.304 761 S CA -0.161 58.068 58.200 0.048 0.000 1.063 761 S CB 0.076 63.301 63.200 0.041 0.000 0.848 761 S HN 0.615 nan 8.310 nan 0.000 0.499 762 R N 1.972 122.503 120.500 0.052 0.000 2.334 762 R HA 0.268 4.616 4.340 0.013 0.000 0.216 762 R C -0.377 175.974 176.300 0.085 0.000 0.905 762 R CA -0.039 56.104 56.100 0.072 0.000 1.064 762 R CB 0.018 30.352 30.300 0.057 0.000 1.046 762 R HN 0.545 nan 8.270 nan 0.000 0.508 763 D N 1.026 121.441 120.400 0.026 0.000 2.424 763 D HA 0.070 4.717 4.640 0.013 0.000 0.244 763 D C -0.156 176.184 176.300 0.066 0.000 1.134 763 D CA 0.504 54.476 54.000 -0.046 0.000 0.881 763 D CB 0.478 41.249 40.800 -0.049 0.000 1.191 763 D HN 0.027 nan 8.370 nan 0.000 0.445 764 F N -1.015 118.968 119.950 0.054 0.000 2.588 764 F HA 0.524 5.058 4.527 0.013 0.000 0.314 764 F C -0.026 175.822 175.800 0.080 0.000 1.069 764 F CA -1.445 56.586 58.000 0.052 0.000 0.931 764 F CB 1.342 40.366 39.000 0.040 0.000 1.260 764 F HN -0.027 nan 8.300 nan 0.000 0.465 765 R N 1.772 122.449 120.500 0.296 0.000 2.357 765 R HA 0.239 4.587 4.340 0.013 0.000 0.296 765 R C -1.657 174.892 176.300 0.415 0.000 1.052 765 R CA -0.679 55.572 56.100 0.251 0.000 0.988 765 R CB 0.831 31.220 30.300 0.148 0.000 1.025 765 R HN 0.933 nan 8.270 nan 0.000 0.469 766 Y N 2.640 123.108 120.300 0.280 0.000 2.452 766 Y HA 0.284 4.841 4.550 0.013 0.000 0.348 766 Y C 0.635 176.615 175.900 0.133 0.000 0.985 766 Y CA 0.381 58.644 58.100 0.272 0.000 1.214 766 Y CB 1.257 39.879 38.460 0.271 0.000 1.136 766 Y HN 0.805 nan 8.280 nan 0.000 0.523 767 G N 4.199 112.918 108.800 -0.135 0.000 3.528 767 G HA2 0.415 4.383 3.960 0.013 0.000 0.266 767 G HA3 0.415 4.383 3.960 0.013 0.000 0.266 767 G C -0.068 174.708 174.900 -0.207 0.000 1.004 767 G CA 0.264 45.310 45.100 -0.091 0.000 0.853 767 G HN 0.839 nan 8.290 nan 0.000 0.501 768 A N 0.055 122.568 122.820 -0.513 0.000 2.286 768 A HA 0.668 4.995 4.320 0.013 0.000 0.286 768 A C 0.063 177.554 177.584 -0.155 0.000 1.097 768 A CA -0.310 51.490 52.037 -0.396 0.000 0.821 768 A CB 1.130 19.775 19.000 -0.591 0.000 1.076 768 A HN 0.261 nan 8.150 nan 0.000 0.490 769 V N 3.074 122.951 119.914 -0.061 0.000 2.470 769 V HA 0.191 4.319 4.120 0.013 0.000 0.276 769 V C -1.972 174.162 176.094 0.066 0.000 1.040 769 V CA -0.772 61.543 62.300 0.024 0.000 1.008 769 V CB 0.545 32.366 31.823 -0.004 0.000 0.990 769 V HN 0.758 nan 8.190 nan 0.000 0.477 770 P HA 0.189 nan 4.420 nan 0.000 0.271 770 P C 0.038 177.369 177.300 0.053 0.000 1.226 770 P CA 0.167 63.374 63.100 0.179 0.000 0.765 770 P CB 0.238 32.026 31.700 0.147 0.000 0.835 771 N N 2.218 120.934 118.700 0.025 0.000 2.475 771 N HA 0.085 4.833 4.740 0.013 0.000 0.272 771 N C 0.626 176.119 175.510 -0.027 0.000 1.482 771 N CA -0.239 52.777 53.050 -0.056 0.000 0.863 771 N CB 0.316 38.719 38.487 -0.140 0.000 1.400 771 N HN 0.088 nan 8.380 nan 0.000 0.489 772 R N -0.074 120.429 120.500 0.006 0.000 2.167 772 R HA 0.276 4.623 4.340 0.013 0.000 0.201 772 R C 1.930 178.225 176.300 -0.008 0.000 1.024 772 R CA 0.501 56.607 56.100 0.010 0.000 1.053 772 R CB -0.679 29.631 30.300 0.015 0.000 0.987 772 R HN 0.134 nan 8.270 nan 0.000 0.493 773 A N 0.989 123.799 122.820 -0.016 0.000 1.854 773 A HA 0.028 4.356 4.320 0.013 0.000 0.214 773 A C 0.891 178.447 177.584 -0.047 0.000 1.192 773 A CA 0.990 53.006 52.037 -0.035 0.000 0.611 773 A CB 0.128 19.111 19.000 -0.028 0.000 0.832 773 A HN 0.034 nan 8.150 nan 0.000 0.442 774 V N 1.549 121.440 119.914 -0.039 0.000 2.320 774 V HA 0.264 4.392 4.120 0.013 0.000 0.268 774 V C -2.876 173.183 176.094 -0.059 0.000 1.021 774 V CA -1.493 60.785 62.300 -0.037 0.000 0.813 774 V CB 1.061 32.872 31.823 -0.021 0.000 1.054 774 V HN 0.202 nan 8.190 nan 0.000 0.444 775 P HA 0.193 nan 4.420 nan 0.000 0.270 775 P C -0.508 176.641 177.300 -0.252 0.000 1.242 775 P CA 0.315 63.348 63.100 -0.113 0.000 0.768 775 P CB 0.813 32.599 31.700 0.143 0.000 0.820 776 V N 5.398 124.970 119.914 -0.570 0.000 2.555 776 V HA 0.542 4.670 4.120 0.013 0.000 0.302 776 V C -0.350 175.222 176.094 -0.871 0.000 1.038 776 V CA -0.368 61.643 62.300 -0.483 0.000 0.887 776 V CB 1.177 32.832 31.823 -0.280 0.000 0.991 776 V HN 0.313 nan 8.190 nan 0.000 0.434 777 F N 2.879 122.803 119.950 -0.044 0.000 2.561 777 F HA 0.580 5.115 4.527 0.013 0.000 0.313 777 F C -0.452 175.333 175.800 -0.025 0.000 1.126 777 F CA -0.695 57.321 58.000 0.026 0.000 0.918 777 F CB 1.589 40.605 39.000 0.026 0.000 1.199 777 F HN 0.269 nan 8.300 nan 0.000 0.444 778 F N 2.755 122.779 119.950 0.124 0.000 2.471 778 F HA 0.171 4.706 4.527 0.013 0.000 0.365 778 F C 0.826 176.681 175.800 0.093 0.000 1.095 778 F CA -0.711 57.336 58.000 0.078 0.000 1.174 778 F CB 0.037 39.062 39.000 0.042 0.000 1.105 778 F HN 0.474 nan 8.300 nan 0.000 0.535 779 D N 0.143 120.641 120.400 0.163 0.000 2.372 779 D HA -0.013 4.634 4.640 0.013 0.000 0.243 779 D C 1.312 177.681 176.300 0.115 0.000 1.297 779 D CA -0.033 54.036 54.000 0.117 0.000 0.958 779 D CB 0.006 40.843 40.800 0.061 0.000 1.114 779 D HN 0.520 nan 8.370 nan 0.000 0.496 780 T N -3.069 111.529 114.554 0.073 0.000 3.025 780 T HA -0.166 4.192 4.350 0.013 0.000 0.270 780 T C 1.184 175.918 174.700 0.057 0.000 1.126 780 T CA 1.011 63.146 62.100 0.058 0.000 1.105 780 T CB -0.427 68.462 68.868 0.034 0.000 0.884 780 T HN 0.392 nan 8.240 nan 0.000 0.522 781 N N 0.750 119.486 118.700 0.061 0.000 2.280 781 N HA 0.239 4.987 4.740 0.013 0.000 0.192 781 N C 1.355 176.911 175.510 0.077 0.000 1.109 781 N CA 0.627 53.709 53.050 0.052 0.000 0.855 781 N CB -0.129 38.379 38.487 0.034 0.000 0.974 781 N HN 0.581 nan 8.380 nan 0.000 0.482 782 G N -0.490 108.388 108.800 0.130 0.000 2.143 782 G HA2 -0.228 3.740 3.960 0.013 0.000 0.248 782 G HA3 -0.228 3.740 3.960 0.013 0.000 0.248 782 G C -0.426 174.616 174.900 0.236 0.000 0.991 782 G CA 0.506 45.735 45.100 0.216 0.000 0.689 782 G HN 0.189 nan 8.290 nan 0.000 0.522 783 V N 0.446 120.418 119.914 0.098 0.000 2.459 783 V HA 0.499 4.627 4.120 0.013 0.000 0.295 783 V C 1.034 176.999 176.094 -0.214 0.000 1.029 783 V CA -1.129 61.148 62.300 -0.038 0.000 0.874 783 V CB 1.603 33.412 31.823 -0.024 0.000 0.985 783 V HN 0.395 nan 8.190 nan 0.000 0.438 784 R N 2.248 122.481 120.500 -0.445 0.000 2.502 784 R HA 0.280 4.628 4.340 0.013 0.000 0.292 784 R C -0.173 175.993 176.300 -0.223 0.000 0.998 784 R CA 0.408 56.181 56.100 -0.545 0.000 1.056 784 R CB 0.119 30.125 30.300 -0.489 0.000 0.939 784 R HN 0.730 nan 8.270 nan 0.000 0.411 785 T N 2.792 117.273 114.554 -0.122 0.000 2.809 785 T HA 0.265 4.623 4.350 0.013 0.000 0.284 785 T C -0.553 174.203 174.700 0.093 0.000 0.992 785 T CA -0.670 61.436 62.100 0.010 0.000 0.957 785 T CB 1.540 70.443 68.868 0.057 0.000 0.942 785 T HN 0.169 nan 8.240 nan 0.000 0.439 786 V N 6.561 126.516 119.914 0.068 0.000 2.334 786 V HA 0.270 4.398 4.120 0.013 0.000 0.267 786 V C -1.506 174.654 176.094 0.111 0.000 1.040 786 V CA -1.345 61.019 62.300 0.106 0.000 0.866 786 V CB 0.936 32.800 31.823 0.068 0.000 1.019 786 V HN 0.746 nan 8.190 nan 0.000 0.468 787 P HA 0.242 nan 4.420 nan 0.000 0.245 787 P C 0.481 177.814 177.300 0.054 0.000 1.203 787 P CA 0.149 63.292 63.100 0.071 0.000 0.792 787 P CB 0.450 32.164 31.700 0.024 0.000 0.997 788 A N 2.198 125.061 122.820 0.071 0.000 2.388 788 A HA 0.475 4.803 4.320 0.013 0.000 0.257 788 A C -1.969 175.628 177.584 0.021 0.000 1.095 788 A CA -1.156 50.902 52.037 0.036 0.000 0.791 788 A CB -0.625 18.394 19.000 0.031 0.000 1.029 788 A HN 0.054 nan 8.150 nan 0.000 0.489 789 P HA 0.356 nan 4.420 nan 0.000 0.271 789 P C -0.743 176.542 177.300 -0.025 0.000 1.216 789 P CA 0.322 63.422 63.100 0.000 0.000 0.776 789 P CB 0.731 32.426 31.700 -0.007 0.000 0.881 790 M N 1.137 120.725 119.600 -0.020 0.000 2.569 790 M HA 0.313 4.801 4.480 0.013 0.000 0.279 790 M C -0.502 175.738 176.300 -0.100 0.000 1.253 790 M CA -0.697 54.540 55.300 -0.106 0.000 0.867 790 M CB 3.033 35.544 32.600 -0.149 0.000 1.727 790 M HN 0.211 nan 8.290 nan 0.000 0.467 791 E N 1.655 121.721 120.200 -0.222 0.000 2.187 791 E HA 0.496 4.854 4.350 0.013 0.000 0.268 791 E C -1.687 174.707 176.600 -0.342 0.000 0.896 791 E CA -0.234 56.079 56.400 -0.146 0.000 0.766 791 E CB 1.978 31.623 29.700 -0.091 0.000 1.142 791 E HN 0.401 nan 8.360 nan 0.000 0.408 792 F N 0.946 120.879 119.950 -0.027 0.000 2.402 792 F HA 0.157 4.692 4.527 0.013 0.000 0.355 792 F C 1.568 177.355 175.800 -0.022 0.000 1.123 792 F CA -0.451 57.526 58.000 -0.038 0.000 1.021 792 F CB 1.657 40.634 39.000 -0.039 0.000 1.160 792 F HN 0.358 nan 8.300 nan 0.000 0.451 793 T N -0.882 113.727 114.554 0.091 0.000 3.014 793 T HA 0.267 4.625 4.350 0.013 0.000 0.250 793 T C 1.008 175.747 174.700 0.066 0.000 1.060 793 T CA 0.148 62.296 62.100 0.081 0.000 1.040 793 T CB -0.085 68.832 68.868 0.083 0.000 0.971 793 T HN 0.578 nan 8.240 nan 0.000 0.497 794 G N 1.304 110.126 108.800 0.037 0.000 2.572 794 G HA2 0.419 4.387 3.960 0.013 0.000 0.261 794 G HA3 0.419 4.387 3.960 0.013 0.000 0.261 794 G C -0.861 174.060 174.900 0.036 0.000 1.197 794 G CA -0.612 44.492 45.100 0.008 0.000 0.870 794 G HN 0.255 nan 8.290 nan 0.000 0.548 795 D N -0.493 119.922 120.400 0.024 0.000 2.488 795 D HA 0.179 4.827 4.640 0.013 0.000 0.238 795 D C -0.038 176.262 176.300 -0.001 0.000 1.138 795 D CA 0.240 54.251 54.000 0.019 0.000 0.873 795 D CB 1.316 42.128 40.800 0.021 0.000 1.183 795 D HN -0.081 nan 8.370 nan 0.000 0.458 796 L N 1.649 122.861 121.223 -0.019 0.000 2.341 796 L HA 0.550 4.898 4.340 0.013 0.000 0.278 796 L C 0.482 177.318 176.870 -0.057 0.000 1.005 796 L CA -0.605 54.197 54.840 -0.064 0.000 0.818 796 L CB 1.795 43.790 42.059 -0.107 0.000 1.259 796 L HN 0.394 nan 8.230 nan 0.000 0.418 797 G N 5.075 113.836 108.800 -0.065 0.000 2.422 797 G HA2 0.638 4.606 3.960 0.013 0.000 0.317 797 G HA3 0.638 4.606 3.960 0.013 0.000 0.317 797 G C -1.050 173.805 174.900 -0.075 0.000 1.210 797 G CA -0.385 44.681 45.100 -0.056 0.000 0.930 797 G HN 0.455 nan 8.290 nan 0.000 0.468 798 L N 2.091 123.269 121.223 -0.075 0.000 2.330 798 L HA 0.721 5.069 4.340 0.013 0.000 0.271 798 L C 1.170 178.005 176.870 -0.058 0.000 1.013 798 L CA -1.046 53.746 54.840 -0.080 0.000 0.816 798 L CB 1.979 43.980 42.059 -0.096 0.000 1.287 798 L HN 0.626 nan 8.230 nan 0.000 0.435 799 G N -1.127 107.648 108.800 -0.041 0.000 3.137 799 G HA2 0.048 4.016 3.960 0.013 0.000 0.163 799 G HA3 0.048 4.016 3.960 0.013 0.000 0.163 799 G C -0.216 174.682 174.900 -0.004 0.000 1.602 799 G CA -0.228 44.864 45.100 -0.013 0.000 1.067 799 G HN 0.633 nan 8.290 nan 0.000 0.568 800 H N -0.212 118.830 119.070 -0.047 0.000 2.886 800 H HA 0.310 4.873 4.556 0.013 0.000 0.329 800 H C -0.920 174.380 175.328 -0.048 0.000 1.044 800 H CA 0.279 56.300 56.048 -0.046 0.000 1.456 800 H CB 0.596 30.334 29.762 -0.039 0.000 1.464 800 H HN -0.029 nan 8.280 nan 0.000 0.573 801 V N 5.428 125.142 119.914 -0.334 0.000 2.588 801 V HA 0.198 4.326 4.120 0.013 0.000 0.304 801 V C -0.121 175.885 176.094 -0.147 0.000 1.042 801 V CA -0.694 61.519 62.300 -0.145 0.000 0.877 801 V CB 2.124 33.863 31.823 -0.140 0.000 0.996 801 V HN 0.862 nan 8.190 nan 0.000 0.425 802 T N 5.905 120.473 114.554 0.022 0.000 2.792 802 T HA 0.550 4.907 4.350 0.013 0.000 0.280 802 T C -0.356 174.349 174.700 0.008 0.000 0.990 802 T CA -0.337 61.786 62.100 0.038 0.000 0.960 802 T CB 1.052 69.985 68.868 0.107 0.000 0.939 802 T HN 0.315 nan 8.240 nan 0.000 0.439 803 I N 4.237 124.804 120.570 -0.004 0.000 2.291 803 I HA 0.287 4.464 4.170 0.013 0.000 0.290 803 I C 0.944 177.065 176.117 0.006 0.000 1.050 803 I CA -0.473 60.825 61.300 -0.003 0.000 1.245 803 I CB 0.216 38.211 38.000 -0.008 0.000 1.405 803 I HN 0.425 nan 8.210 nan 0.000 0.478 804 R N 3.677 124.182 120.500 0.009 0.000 2.637 804 R HA 0.526 4.874 4.340 0.013 0.000 0.269 804 R C 0.190 176.495 176.300 0.008 0.000 1.089 804 R CA -0.620 55.486 56.100 0.010 0.000 1.177 804 R CB 0.855 31.161 30.300 0.010 0.000 1.091 804 R HN 0.675 nan 8.270 nan 0.000 0.540 805 A N 0.857 123.681 122.820 0.008 0.000 2.520 805 A HA 0.102 4.430 4.320 0.013 0.000 0.245 805 A C 0.919 178.507 177.584 0.006 0.000 1.072 805 A CA 0.486 52.527 52.037 0.006 0.000 0.761 805 A CB 0.080 19.084 19.000 0.005 0.000 1.004 805 A HN 0.877 nan 8.150 nan 0.000 0.499 806 S N 0.500 116.204 115.700 0.006 0.000 2.546 806 S HA 0.200 4.678 4.470 0.013 0.000 0.282 806 S C 0.373 174.977 174.600 0.006 0.000 1.074 806 S CA 0.552 58.755 58.200 0.007 0.000 1.254 806 S CB 0.202 63.407 63.200 0.009 0.000 1.103 806 S HN 0.673 nan 8.310 nan 0.000 0.589 807 T N 2.081 116.639 114.554 0.007 0.000 2.861 807 T HA 0.694 5.052 4.350 0.013 0.000 0.287 807 T C -0.567 174.137 174.700 0.006 0.000 1.003 807 T CA 0.229 62.333 62.100 0.007 0.000 0.977 807 T CB 1.459 70.332 68.868 0.009 0.000 0.996 807 T HN 0.608 nan 8.240 nan 0.000 0.448 808 S N 2.637 118.340 115.700 0.006 0.000 3.727 808 S HA -0.198 4.280 4.470 0.013 0.000 0.444 808 S C 0.670 175.272 174.600 0.004 0.000 0.867 808 S CA 0.680 58.883 58.200 0.005 0.000 1.324 808 S CB -1.719 61.484 63.200 0.005 0.000 0.890 808 S HN 1.286 nan 8.310 nan 0.000 0.599 809 S N 1.498 117.200 115.700 0.003 0.000 3.581 809 S HA -0.229 4.249 4.470 0.013 0.000 0.354 809 S C 0.496 175.097 174.600 0.002 0.000 1.059 809 S CA 1.047 59.248 58.200 0.002 0.000 1.060 809 S CB -1.499 61.702 63.200 0.002 0.000 0.908 809 S HN 1.247 nan 8.310 nan 0.000 0.475 810 N N -1.492 117.210 118.700 0.003 0.000 2.696 810 N HA -0.237 4.511 4.740 0.013 0.000 0.249 810 N C 0.537 176.049 175.510 0.003 0.000 1.090 810 N CA 1.128 54.180 53.050 0.003 0.000 0.716 810 N CB -1.510 36.978 38.487 0.002 0.000 1.020 810 N HN 0.764 nan 8.380 nan 0.000 0.548 811 I N -0.353 120.219 120.570 0.003 0.000 2.439 811 I HA -0.137 4.041 4.170 0.013 0.000 0.251 811 I C 1.267 177.387 176.117 0.004 0.000 1.139 811 I CA 0.913 62.215 61.300 0.003 0.000 1.438 811 I CB 0.246 38.248 38.000 0.003 0.000 1.085 811 I HN 0.285 nan 8.210 nan 0.000 0.427 812 R N -0.038 120.465 120.500 0.005 0.000 2.837 812 R HA 0.501 4.848 4.340 0.013 0.000 0.271 812 R C -0.842 175.462 176.300 0.007 0.000 0.993 812 R CA -0.626 55.477 56.100 0.006 0.000 0.931 812 R CB 1.371 31.675 30.300 0.006 0.000 1.206 812 R HN 0.010 nan 8.270 nan 0.000 0.474 813 S N 0.326 116.031 115.700 0.008 0.000 2.585 813 S HA 0.362 4.840 4.470 0.013 0.000 0.277 813 S C -0.479 174.127 174.600 0.009 0.000 1.241 813 S CA -0.799 57.405 58.200 0.008 0.000 1.041 813 S CB 1.495 64.700 63.200 0.007 0.000 0.987 813 S HN 0.738 nan 8.310 nan 0.000 0.512 814 E N 1.139 121.344 120.200 0.010 0.000 2.278 814 E HA 0.536 4.894 4.350 0.013 0.000 0.272 814 E C -1.978 174.629 176.600 0.013 0.000 0.890 814 E CA -0.751 55.656 56.400 0.012 0.000 0.770 814 E CB 1.750 31.458 29.700 0.012 0.000 1.212 814 E HN 0.520 nan 8.360 nan 0.000 0.415 815 V N 4.918 124.841 119.914 0.014 0.000 2.487 815 V HA 0.423 4.551 4.120 0.013 0.000 0.298 815 V C -0.836 175.270 176.094 0.020 0.000 1.028 815 V CA -0.811 61.498 62.300 0.016 0.000 0.860 815 V CB 1.487 33.318 31.823 0.013 0.000 0.991 815 V HN 0.615 nan 8.190 nan 0.000 0.427 816 L N 5.601 126.837 121.223 0.022 0.000 2.329 816 L HA 0.633 4.981 4.340 0.013 0.000 0.279 816 L C -0.141 176.746 176.870 0.029 0.000 1.014 816 L CA -0.295 54.560 54.840 0.026 0.000 0.814 816 L CB 1.742 43.816 42.059 0.025 0.000 1.257 816 L HN 0.566 nan 8.230 nan 0.000 0.424 817 M N 3.136 122.756 119.600 0.033 0.000 2.205 817 M HA 0.392 4.880 4.480 0.013 0.000 0.344 817 M C 0.104 176.424 176.300 0.033 0.000 1.085 817 M CA -0.373 54.949 55.300 0.036 0.000 1.001 817 M CB 1.794 34.423 32.600 0.047 0.000 1.626 817 M HN 0.577 nan 8.290 nan 0.000 0.442 818 E N 1.079 121.294 120.200 0.024 0.000 3.262 818 E HA 0.755 5.113 4.350 0.013 0.000 0.257 818 E C 0.356 176.958 176.600 0.002 0.000 1.195 818 E CA -0.322 56.090 56.400 0.020 0.000 1.160 818 E CB 0.870 30.583 29.700 0.021 0.000 1.416 818 E HN 0.855 nan 8.360 nan 0.000 0.630 819 G N 0.693 109.492 108.800 -0.003 0.000 2.782 819 G HA2 -0.332 3.636 3.960 0.013 0.000 0.228 819 G HA3 -0.332 3.636 3.960 0.013 0.000 0.228 819 G C 0.484 175.383 174.900 -0.001 0.000 1.372 819 G CA 0.326 45.409 45.100 -0.028 0.000 0.862 819 G HN 0.662 nan 8.290 nan 0.000 0.547 820 E N -1.067 119.131 120.200 -0.004 0.000 2.072 820 E HA 0.023 4.381 4.350 0.013 0.000 0.191 820 E C 0.911 177.617 176.600 0.177 0.000 0.985 820 E CA 1.707 58.161 56.400 0.090 0.000 0.801 820 E CB -0.021 29.772 29.700 0.155 0.000 0.750 820 E HN 0.851 nan 8.360 nan 0.000 0.452 821 Y N -2.677 117.655 120.300 0.053 0.000 2.588 821 Y HA 0.671 5.229 4.550 0.013 0.000 0.343 821 Y C -0.270 175.684 175.900 0.090 0.000 1.065 821 Y CA -1.025 57.116 58.100 0.068 0.000 1.038 821 Y CB 1.003 39.505 38.460 0.070 0.000 1.297 821 Y HN -0.128 nan 8.280 nan 0.000 0.467 822 G N 1.469 110.396 108.800 0.213 0.000 2.389 822 G HA2 0.534 4.502 3.960 0.013 0.000 0.328 822 G HA3 0.534 4.502 3.960 0.013 0.000 0.328 822 G C -2.295 172.815 174.900 0.350 0.000 1.133 822 G CA -0.749 44.450 45.100 0.165 0.000 0.891 822 G HN 0.781 nan 8.290 nan 0.000 0.485 823 F N 2.196 122.208 119.950 0.105 0.000 2.536 823 F HA 0.625 5.160 4.527 0.013 0.000 0.322 823 F C -0.725 175.132 175.800 0.095 0.000 1.144 823 F CA -1.164 56.922 58.000 0.144 0.000 0.924 823 F CB 1.495 40.600 39.000 0.174 0.000 1.181 823 F HN 0.229 nan 8.300 nan 0.000 0.438 824 I N 6.315 126.600 120.570 -0.474 0.000 2.382 824 I HA 0.586 4.764 4.170 0.013 0.000 0.286 824 I C 0.149 175.830 176.117 -0.726 0.000 1.002 824 I CA -0.469 60.586 61.300 -0.409 0.000 1.135 824 I CB 1.161 39.102 38.000 -0.099 0.000 1.288 824 I HN 0.768 nan 8.210 nan 0.000 0.448 825 G N 4.823 113.220 108.800 -0.672 0.000 3.022 825 G HA2 0.646 4.614 3.960 0.013 0.000 0.284 825 G HA3 0.646 4.614 3.960 0.013 0.000 0.284 825 G C -1.581 173.219 174.900 -0.167 0.000 1.375 825 G CA -0.506 44.283 45.100 -0.519 0.000 0.902 825 G HN 0.387 nan 8.290 nan 0.000 0.538 826 K N 0.370 120.738 120.400 -0.053 0.000 2.545 826 K HA 0.544 4.872 4.320 0.013 0.000 0.252 826 K C 0.350 176.958 176.600 0.014 0.000 0.948 826 K CA -0.394 55.869 56.287 -0.039 0.000 0.827 826 K CB 1.320 33.782 32.500 -0.063 0.000 1.128 826 K HN 0.790 nan 8.250 nan 0.000 0.429 827 S N 4.070 119.776 115.700 0.009 0.000 2.576 827 S HA 0.230 4.707 4.470 0.013 0.000 0.272 827 S C 0.519 175.129 174.600 0.017 0.000 1.352 827 S CA -0.526 57.689 58.200 0.025 0.000 1.021 827 S CB 0.059 63.267 63.200 0.013 0.000 0.887 827 S HN 0.560 nan 8.310 nan 0.000 0.542 828 I N 2.941 123.525 120.570 0.024 0.000 2.517 828 I HA 0.203 4.380 4.170 0.013 0.000 0.285 828 I C -1.957 174.164 176.117 0.007 0.000 1.106 828 I CA -1.787 59.524 61.300 0.017 0.000 1.402 828 I CB 0.010 38.023 38.000 0.023 0.000 1.399 828 I HN 0.520 nan 8.210 nan 0.000 0.535 829 P HA 0.071 nan 4.420 nan 0.000 0.268 829 P C 0.543 177.843 177.300 -0.001 0.000 1.205 829 P CA -0.082 63.014 63.100 -0.006 0.000 0.771 829 P CB 0.653 32.346 31.700 -0.011 0.000 0.858 830 T N 0.004 114.557 114.554 -0.003 0.000 2.770 830 T HA -0.090 4.268 4.350 0.013 0.000 0.263 830 T C 0.995 175.695 174.700 -0.000 0.000 1.039 830 T CA 1.446 63.545 62.100 -0.000 0.000 1.142 830 T CB -0.369 68.498 68.868 -0.002 0.000 0.868 830 T HN 0.445 nan 8.240 nan 0.000 0.435 831 D N 0.646 121.044 120.400 -0.003 0.000 2.201 831 D HA 0.042 4.690 4.640 0.013 0.000 0.209 831 D C 1.059 177.359 176.300 -0.000 0.000 0.961 831 D CA 0.695 54.694 54.000 -0.002 0.000 0.861 831 D CB -0.019 40.778 40.800 -0.004 0.000 0.997 831 D HN 0.348 nan 8.370 nan 0.000 0.486 832 N N 0.695 119.394 118.700 -0.002 0.000 2.791 832 N HA 0.099 4.847 4.740 0.013 0.000 0.265 832 N C -2.104 173.408 175.510 0.003 0.000 1.580 832 N CA -1.367 51.684 53.050 0.001 0.000 0.809 832 N CB 1.578 40.065 38.487 -0.001 0.000 1.178 832 N HN -0.206 nan 8.380 nan 0.000 0.499 833 P HA -0.106 nan 4.420 nan 0.000 0.221 833 P C 1.054 178.365 177.300 0.019 0.000 1.145 833 P CA 0.752 63.859 63.100 0.011 0.000 0.795 833 P CB 0.239 31.948 31.700 0.014 0.000 0.775 834 A N 0.104 122.937 122.820 0.022 0.000 2.172 834 A HA 0.084 4.412 4.320 0.013 0.000 0.216 834 A C 2.297 179.908 177.584 0.046 0.000 1.154 834 A CA 1.429 53.487 52.037 0.034 0.000 0.701 834 A CB -1.398 17.620 19.000 0.029 0.000 0.789 834 A HN 0.328 nan 8.150 nan 0.000 0.465 835 G N -1.355 107.460 108.800 0.024 0.000 3.088 835 G HA2 0.134 4.102 3.960 0.013 0.000 0.217 835 G HA3 0.134 4.102 3.960 0.013 0.000 0.217 835 G C 0.622 175.508 174.900 -0.024 0.000 1.159 835 G CA 0.112 45.217 45.100 0.009 0.000 0.760 835 G HN 0.585 nan 8.290 nan 0.000 0.550 836 Q N 1.355 121.151 119.800 -0.007 0.000 2.320 836 Q HA 0.121 4.469 4.340 0.013 0.000 0.311 836 Q C 0.284 176.240 176.000 -0.073 0.000 1.083 836 Q CA 0.430 56.216 55.803 -0.028 0.000 1.001 836 Q CB 0.102 28.844 28.738 0.007 0.000 1.074 836 Q HN 0.614 nan 8.270 nan 0.000 0.379 837 R N 2.878 123.293 120.500 -0.141 0.000 2.765 837 R HA 0.461 4.808 4.340 0.013 0.000 0.277 837 R C -1.724 174.436 176.300 -0.232 0.000 1.028 837 R CA -0.869 55.089 56.100 -0.237 0.000 0.860 837 R CB 0.661 30.656 30.300 -0.508 0.000 1.270 837 R HN 0.475 nan 8.270 nan 0.000 0.484 838 I N 2.058 122.478 120.570 -0.250 0.000 2.509 838 I HA 0.441 4.619 4.170 0.013 0.000 0.293 838 I C -0.250 175.630 176.117 -0.395 0.000 1.020 838 I CA -1.156 59.923 61.300 -0.368 0.000 1.088 838 I CB 2.173 39.870 38.000 -0.505 0.000 1.267 838 I HN 0.418 nan 8.210 nan 0.000 0.430 839 I N 5.772 126.090 120.570 -0.419 0.000 2.321 839 I HA 0.322 4.500 4.170 0.013 0.000 0.291 839 I C -0.847 175.030 176.117 -0.400 0.000 0.998 839 I CA -0.355 60.776 61.300 -0.282 0.000 1.227 839 I CB 0.797 38.688 38.000 -0.182 0.000 1.368 839 I HN 0.310 nan 8.210 nan 0.000 0.466 840 F N 5.537 125.445 119.950 -0.070 0.000 2.408 840 F HA 0.494 5.029 4.527 0.013 0.000 0.344 840 F C 0.270 176.050 175.800 -0.033 0.000 1.112 840 F CA -0.535 57.435 58.000 -0.050 0.000 1.096 840 F CB 1.416 40.390 39.000 -0.042 0.000 1.129 840 F HN 0.377 nan 8.300 nan 0.000 0.486 841 C N 2.118 121.490 119.300 0.120 0.000 2.608 841 C HA 0.626 5.093 4.460 0.013 0.000 0.325 841 C C 1.152 176.174 174.990 0.053 0.000 1.147 841 C CA -0.404 58.654 59.018 0.067 0.000 1.359 841 C CB 0.769 28.521 27.740 0.020 0.000 1.912 841 C HN 1.035 nan 8.230 nan 0.000 0.466 842 G N 2.837 111.663 108.800 0.043 0.000 2.920 842 G HA2 0.436 4.404 3.960 0.013 0.000 0.208 842 G HA3 0.436 4.404 3.960 0.013 0.000 0.208 842 G C 0.624 175.534 174.900 0.017 0.000 1.159 842 G CA 0.824 45.941 45.100 0.028 0.000 0.784 842 G HN 1.199 nan 8.290 nan 0.000 0.535 843 G N -0.343 108.466 108.800 0.016 0.000 3.211 843 G HA2 0.475 4.442 3.960 0.013 0.000 0.262 843 G HA3 0.475 4.442 3.960 0.013 0.000 0.262 843 G C 0.534 175.438 174.900 0.008 0.000 1.352 843 G CA 0.152 45.258 45.100 0.010 0.000 1.004 843 G HN 0.203 nan 8.290 nan 0.000 0.559 844 E N -1.522 118.682 120.200 0.007 0.000 2.385 844 E HA 0.302 4.660 4.350 0.013 0.000 0.194 844 E C 0.981 177.584 176.600 0.005 0.000 1.013 844 E CA 0.348 56.753 56.400 0.008 0.000 0.866 844 E CB 0.367 30.072 29.700 0.009 0.000 0.832 844 E HN 0.521 nan 8.360 nan 0.000 0.500 845 G N 0.256 109.057 108.800 0.001 0.000 2.730 845 G HA2 0.288 4.256 3.960 0.013 0.000 0.289 845 G HA3 0.288 4.256 3.960 0.013 0.000 0.289 845 G C 0.537 175.431 174.900 -0.010 0.000 1.341 845 G CA -0.040 45.059 45.100 -0.003 0.000 0.932 845 G HN 0.043 nan 8.290 nan 0.000 0.481 846 T N -2.389 112.155 114.554 -0.016 0.000 3.035 846 T HA 0.041 4.399 4.350 0.013 0.000 0.268 846 T C 1.489 176.181 174.700 -0.013 0.000 1.109 846 T CA 1.050 63.135 62.100 -0.025 0.000 1.119 846 T CB -0.075 68.773 68.868 -0.034 0.000 0.900 846 T HN 0.555 nan 8.240 nan 0.000 0.503 847 S N 1.898 117.596 115.700 -0.004 0.000 2.510 847 S HA 0.243 4.721 4.470 0.013 0.000 0.279 847 S C 1.570 176.176 174.600 0.009 0.000 1.284 847 S CA -0.126 58.076 58.200 0.004 0.000 1.059 847 S CB 0.509 63.712 63.200 0.004 0.000 0.901 847 S HN 0.572 nan 8.310 nan 0.000 0.491 848 S N 3.694 119.404 115.700 0.017 0.000 2.500 848 S HA -0.105 4.373 4.470 0.013 0.000 0.239 848 S C 1.724 176.336 174.600 0.019 0.000 0.989 848 S CA 1.383 59.598 58.200 0.025 0.000 0.951 848 S CB -0.790 62.433 63.200 0.038 0.000 0.759 848 S HN 0.758 nan 8.310 nan 0.000 0.523 849 T N 2.589 117.152 114.554 0.015 0.000 2.849 849 T HA -0.105 4.253 4.350 0.013 0.000 0.270 849 T C 1.999 176.704 174.700 0.008 0.000 1.066 849 T CA 1.959 64.066 62.100 0.011 0.000 1.130 849 T CB -0.767 68.107 68.868 0.010 0.000 0.864 849 T HN 0.909 nan 8.240 nan 0.000 0.481 850 T N -2.044 112.515 114.554 0.008 0.000 3.065 850 T HA 0.488 4.846 4.350 0.013 0.000 0.252 850 T C 0.795 175.498 174.700 0.007 0.000 1.099 850 T CA 0.437 62.541 62.100 0.006 0.000 1.063 850 T CB 0.417 69.288 68.868 0.005 0.000 0.948 850 T HN 0.455 nan 8.240 nan 0.000 0.506 851 G N 0.091 108.897 108.800 0.009 0.000 2.355 851 G HA2 0.526 4.494 3.960 0.013 0.000 0.296 851 G HA3 0.526 4.494 3.960 0.013 0.000 0.296 851 G C -0.944 173.966 174.900 0.016 0.000 1.507 851 G CA -0.582 44.523 45.100 0.009 0.000 0.823 851 G HN 0.496 nan 8.290 nan 0.000 0.569 852 A N -0.114 122.713 122.820 0.012 0.000 2.531 852 A HA 0.567 4.895 4.320 0.013 0.000 0.236 852 A C 0.385 178.001 177.584 0.054 0.000 1.062 852 A CA 0.593 52.643 52.037 0.022 0.000 0.760 852 A CB 0.170 19.169 19.000 -0.001 0.000 0.995 852 A HN 0.674 nan 8.150 nan 0.000 0.501 853 Q N 0.492 120.342 119.800 0.083 0.000 2.372 853 Q HA 0.625 4.973 4.340 0.013 0.000 0.273 853 Q C -1.439 174.640 176.000 0.132 0.000 1.078 853 Q CA -0.392 55.472 55.803 0.101 0.000 0.806 853 Q CB 2.476 31.260 28.738 0.077 0.000 1.332 853 Q HN 0.713 nan 8.270 nan 0.000 0.435 854 I N 1.298 121.952 120.570 0.141 0.000 2.465 854 I HA 0.405 4.582 4.170 0.013 0.000 0.291 854 I C -0.595 175.611 176.117 0.150 0.000 1.014 854 I CA -0.549 60.803 61.300 0.087 0.000 1.093 854 I CB 2.282 40.297 38.000 0.025 0.000 1.267 854 I HN 0.456 nan 8.210 nan 0.000 0.431 855 T N 7.050 121.631 114.554 0.046 0.000 2.809 855 T HA 0.552 4.910 4.350 0.013 0.000 0.284 855 T C -0.341 174.382 174.700 0.037 0.000 0.992 855 T CA -0.489 61.622 62.100 0.018 0.000 0.957 855 T CB 0.951 69.785 68.868 -0.058 0.000 0.942 855 T HN 0.262 nan 8.240 nan 0.000 0.439 856 L N 3.846 125.102 121.223 0.055 0.000 2.265 856 L HA 0.502 4.850 4.340 0.013 0.000 0.289 856 L C -0.670 176.219 176.870 0.031 0.000 1.033 856 L CA -1.031 53.865 54.840 0.093 0.000 0.814 856 L CB 0.435 42.573 42.059 0.132 0.000 1.203 856 L HN 0.626 nan 8.230 nan 0.000 0.423 857 Y N 1.213 121.508 120.300 -0.007 0.000 2.308 857 Y HA 0.445 5.003 4.550 0.013 0.000 0.329 857 Y C 1.225 177.128 175.900 0.005 0.000 1.111 857 Y CA -0.447 57.649 58.100 -0.006 0.000 1.179 857 Y CB 1.532 39.986 38.460 -0.010 0.000 1.201 857 Y HN 0.663 nan 8.280 nan 0.000 0.483 858 G N 0.658 109.533 108.800 0.126 0.000 2.606 858 G HA2 0.309 4.277 3.960 0.013 0.000 0.252 858 G HA3 0.309 4.277 3.960 0.013 0.000 0.252 858 G C 0.814 175.770 174.900 0.094 0.000 1.206 858 G CA -0.090 45.063 45.100 0.089 0.000 0.861 858 G HN 0.882 nan 8.290 nan 0.000 0.561 859 A N 0.633 123.496 122.820 0.071 0.000 1.972 859 A HA -0.117 4.211 4.320 0.013 0.000 0.219 859 A C 2.093 179.707 177.584 0.050 0.000 1.169 859 A CA 1.822 53.893 52.037 0.056 0.000 0.635 859 A CB -0.437 18.590 19.000 0.045 0.000 0.810 859 A HN 0.668 nan 8.150 nan 0.000 0.446 860 N N 0.274 119.004 118.700 0.050 0.000 2.512 860 N HA -0.044 4.704 4.740 0.013 0.000 0.183 860 N C 0.614 176.155 175.510 0.052 0.000 1.073 860 N CA 0.112 53.188 53.050 0.043 0.000 0.911 860 N CB -0.141 38.367 38.487 0.035 0.000 0.964 860 N HN 0.470 nan 8.380 nan 0.000 0.447 861 N N 0.579 119.326 118.700 0.078 0.000 2.518 861 N HA -0.010 4.738 4.740 0.013 0.000 0.266 861 N C 0.675 176.233 175.510 0.081 0.000 1.196 861 N CA 0.383 53.499 53.050 0.110 0.000 0.947 861 N CB 0.795 39.418 38.487 0.227 0.000 1.098 861 N HN -0.007 nan 8.380 nan 0.000 0.450 862 T N 1.277 115.874 114.554 0.072 0.000 2.649 862 T HA -0.194 4.164 4.350 0.013 0.000 0.268 862 T C -0.010 174.694 174.700 0.006 0.000 1.036 862 T CA 1.365 63.487 62.100 0.037 0.000 1.157 862 T CB -0.195 68.695 68.868 0.037 0.000 0.861 862 T HN 0.551 nan 8.240 nan 0.000 0.445 863 D N 2.286 122.679 120.400 -0.012 0.000 2.563 863 D HA 0.207 4.855 4.640 0.013 0.000 0.222 863 D C -0.204 176.042 176.300 -0.091 0.000 1.145 863 D CA 0.066 53.983 54.000 -0.139 0.000 1.001 863 D CB 0.274 40.834 40.800 -0.399 0.000 1.049 863 D HN 0.166 nan 8.370 nan 0.000 0.515 864 S N 1.821 117.505 115.700 -0.027 0.000 2.555 864 S HA -0.067 4.410 4.470 0.013 0.000 0.293 864 S C 0.994 175.599 174.600 0.009 0.000 1.248 864 S CA 0.013 58.221 58.200 0.014 0.000 1.096 864 S CB -0.036 63.170 63.200 0.011 0.000 0.881 864 S HN 0.485 nan 8.310 nan 0.000 0.498 865 R N 0.716 121.250 120.500 0.056 0.000 3.770 865 R HA -0.178 4.170 4.340 0.013 0.000 0.305 865 R C 0.249 176.568 176.300 0.030 0.000 1.184 865 R CA 0.975 57.109 56.100 0.058 0.000 0.823 865 R CB -1.618 28.702 30.300 0.033 0.000 1.285 865 R HN 0.819 nan 8.270 nan 0.000 0.499 866 R N 1.536 122.020 120.500 -0.027 0.000 2.594 866 R HA 0.362 4.710 4.340 0.013 0.000 0.272 866 R C -0.170 176.151 176.300 0.035 0.000 1.074 866 R CA -0.017 56.002 56.100 -0.135 0.000 1.105 866 R CB 0.568 30.556 30.300 -0.520 0.000 1.008 866 R HN 0.175 nan 8.270 nan 0.000 0.472 867 I N 4.058 124.623 120.570 -0.008 0.000 2.433 867 I HA 0.273 4.451 4.170 0.013 0.000 0.292 867 I C -0.751 175.286 176.117 -0.133 0.000 1.001 867 I CA -1.186 60.065 61.300 -0.083 0.000 1.119 867 I CB 2.165 40.001 38.000 -0.274 0.000 1.289 867 I HN 0.331 nan 8.210 nan 0.000 0.438 868 V N 6.856 126.722 119.914 -0.080 0.000 2.384 868 V HA 0.343 4.471 4.120 0.013 0.000 0.287 868 V C -0.932 175.115 176.094 -0.078 0.000 1.020 868 V CA -0.552 61.750 62.300 0.005 0.000 0.850 868 V CB 1.214 33.126 31.823 0.148 0.000 0.987 868 V HN 0.425 nan 8.190 nan 0.000 0.436 869 Y N 3.547 123.920 120.300 0.122 0.000 2.353 869 Y HA 0.432 4.990 4.550 0.013 0.000 0.340 869 Y C 0.545 176.613 175.900 0.280 0.000 0.972 869 Y CA -0.347 57.851 58.100 0.163 0.000 1.157 869 Y CB 0.958 39.460 38.460 0.070 0.000 1.157 869 Y HN 0.614 nan 8.280 nan 0.000 0.495 870 N N 2.679 121.622 118.700 0.404 0.000 2.573 870 N HA 0.597 5.345 4.740 0.013 0.000 0.262 870 N C -0.830 174.775 175.510 0.160 0.000 1.029 870 N CA -0.239 52.988 53.050 0.295 0.000 0.882 870 N CB 0.786 39.376 38.487 0.173 0.000 1.204 870 N HN 0.916 nan 8.380 nan 0.000 0.519 871 G N 1.096 109.889 108.800 -0.012 0.000 2.708 871 G HA2 0.175 4.143 3.960 0.013 0.000 0.289 871 G HA3 0.175 4.143 3.960 0.013 0.000 0.289 871 G C -0.371 174.388 174.900 -0.235 0.000 1.416 871 G CA -0.369 44.614 45.100 -0.195 0.000 0.829 871 G HN 0.432 nan 8.290 nan 0.000 0.480 872 D N -0.197 120.106 120.400 -0.161 0.000 2.349 872 D HA 0.137 4.785 4.640 0.013 0.000 0.215 872 D C 0.281 176.499 176.300 -0.136 0.000 1.016 872 D CA 0.893 54.830 54.000 -0.106 0.000 0.870 872 D CB 0.665 41.434 40.800 -0.052 0.000 0.917 872 D HN 0.553 nan 8.370 nan 0.000 0.524 873 E N -0.276 119.784 120.200 -0.235 0.000 2.321 873 E HA 0.274 4.632 4.350 0.013 0.000 0.278 873 E C -0.819 175.580 176.600 -0.336 0.000 0.902 873 E CA -0.659 55.623 56.400 -0.196 0.000 0.758 873 E CB 1.957 31.599 29.700 -0.098 0.000 1.213 873 E HN 0.033 nan 8.360 nan 0.000 0.426 874 H N 2.637 121.703 119.070 -0.008 0.000 2.718 874 H HA 0.351 4.914 4.556 0.013 0.000 0.295 874 H C -0.818 174.444 175.328 -0.111 0.000 1.051 874 H CA -0.422 55.579 56.048 -0.078 0.000 1.260 874 H CB 0.635 30.432 29.762 0.057 0.000 1.403 874 H HN 0.301 nan 8.280 nan 0.000 0.488 875 L N 3.997 125.124 121.223 -0.159 0.000 2.305 875 L HA 0.361 4.709 4.340 0.013 0.000 0.284 875 L C -0.509 176.192 176.870 -0.280 0.000 1.013 875 L CA -0.692 54.085 54.840 -0.106 0.000 0.819 875 L CB 1.139 43.158 42.059 -0.067 0.000 1.227 875 L HN 0.331 nan 8.230 nan 0.000 0.417 876 F N 2.342 122.294 119.950 0.004 0.000 2.334 876 F HA 0.364 4.899 4.527 0.013 0.000 0.367 876 F C 0.487 176.282 175.800 -0.008 0.000 1.115 876 F CA -0.216 57.780 58.000 -0.007 0.000 1.116 876 F CB 1.298 40.283 39.000 -0.024 0.000 1.230 876 F HN 0.485 nan 8.300 nan 0.000 0.484 877 Q N 1.655 121.512 119.800 0.095 0.000 2.266 877 Q HA 0.408 4.756 4.340 0.013 0.000 0.261 877 Q C 0.575 176.613 176.000 0.063 0.000 0.985 877 Q CA -0.138 55.700 55.803 0.058 0.000 0.873 877 Q CB 1.577 30.323 28.738 0.013 0.000 1.306 877 Q HN 0.815 nan 8.270 nan 0.000 0.447 878 S N -0.691 115.036 115.700 0.046 0.000 2.524 878 S HA -0.249 4.229 4.470 0.013 0.000 0.254 878 S C -0.454 174.168 174.600 0.036 0.000 1.258 878 S CA 1.171 59.392 58.200 0.035 0.000 1.448 878 S CB -1.360 61.858 63.200 0.029 0.000 1.806 878 S HN 0.987 nan 8.310 nan 0.000 0.630 879 A N 0.487 123.338 122.820 0.050 0.000 2.594 879 A HA 0.616 4.944 4.320 0.013 0.000 0.295 879 A C -1.318 176.283 177.584 0.028 0.000 1.071 879 A CA -0.705 51.354 52.037 0.036 0.000 0.685 879 A CB 0.926 19.951 19.000 0.042 0.000 1.285 879 A HN 0.100 nan 8.150 nan 0.000 0.405 880 D N 0.583 120.983 120.400 -0.001 0.000 2.400 880 D HA 0.279 4.927 4.640 0.013 0.000 0.238 880 D C -0.008 176.253 176.300 -0.065 0.000 1.157 880 D CA 0.289 54.270 54.000 -0.032 0.000 0.889 880 D CB 0.914 41.691 40.800 -0.038 0.000 1.199 880 D HN 0.159 nan 8.370 nan 0.000 0.436 881 V N 3.200 123.032 119.914 -0.137 0.000 2.372 881 V HA 0.138 4.266 4.120 0.013 0.000 0.261 881 V C 0.596 176.588 176.094 -0.171 0.000 1.055 881 V CA 0.003 62.153 62.300 -0.250 0.000 0.930 881 V CB -0.012 31.520 31.823 -0.485 0.000 1.031 881 V HN 0.285 nan 8.190 nan 0.000 0.479 882 K N 5.294 125.625 120.400 -0.116 0.000 2.385 882 K HA 0.639 4.967 4.320 0.013 0.000 0.248 882 K C -2.528 174.051 176.600 -0.035 0.000 0.955 882 K CA -1.653 54.592 56.287 -0.070 0.000 0.816 882 K CB 2.288 34.758 32.500 -0.051 0.000 1.250 882 K HN 0.430 nan 8.250 nan 0.000 0.434 883 P HA 0.078 nan 4.420 nan 0.000 0.278 883 P C 0.147 177.488 177.300 0.069 0.000 1.238 883 P CA -0.301 62.821 63.100 0.036 0.000 0.794 883 P CB 0.571 32.286 31.700 0.025 0.000 0.955 884 Y N 2.946 123.239 120.300 -0.011 0.000 2.128 884 Y HA -0.196 4.362 4.550 0.013 0.000 0.284 884 Y C 0.701 176.598 175.900 -0.005 0.000 1.154 884 Y CA 1.690 59.787 58.100 -0.004 0.000 1.149 884 Y CB -0.084 38.379 38.460 0.004 0.000 0.976 884 Y HN 0.468 nan 8.280 nan 0.000 0.505 885 N N -0.322 118.447 118.700 0.116 0.000 2.459 885 N HA 0.158 4.906 4.740 0.013 0.000 0.288 885 N C -1.671 173.844 175.510 0.008 0.000 1.186 885 N CA -0.722 52.353 53.050 0.041 0.000 0.917 885 N CB 0.846 39.393 38.487 0.100 0.000 1.219 885 N HN -0.029 nan 8.380 nan 0.000 0.525 886 D N 0.392 120.788 120.400 -0.007 0.000 2.249 886 D HA 0.168 4.816 4.640 0.013 0.000 0.246 886 D C -0.395 175.906 176.300 0.000 0.000 1.114 886 D CA 0.050 54.043 54.000 -0.011 0.000 0.854 886 D CB 0.223 41.011 40.800 -0.020 0.000 1.132 886 D HN 0.480 nan 8.370 nan 0.000 0.461 887 N N 2.919 121.619 118.700 -0.000 0.000 2.727 887 N HA -0.176 4.572 4.740 0.013 0.000 0.249 887 N C -0.262 175.254 175.510 0.009 0.000 1.048 887 N CA 0.917 53.968 53.050 0.002 0.000 0.714 887 N CB -0.939 37.547 38.487 -0.001 0.000 0.959 887 N HN 0.250 nan 8.380 nan 0.000 0.544 888 V N -1.954 117.970 119.914 0.016 0.000 3.137 888 V HA 0.189 4.317 4.120 0.013 0.000 0.236 888 V C 1.118 177.225 176.094 0.022 0.000 1.260 888 V CA 1.345 63.658 62.300 0.022 0.000 1.244 888 V CB 0.701 32.543 31.823 0.032 0.000 1.016 888 V HN 0.610 nan 8.190 nan 0.000 0.477 889 T N -0.961 113.609 114.554 0.025 0.000 2.950 889 T HA 0.855 5.213 4.350 0.013 0.000 0.288 889 T C -0.369 174.342 174.700 0.019 0.000 1.035 889 T CA -0.072 62.042 62.100 0.024 0.000 1.028 889 T CB 2.382 71.268 68.868 0.030 0.000 1.109 889 T HN 0.377 nan 8.240 nan 0.000 0.514 890 A N 1.059 123.892 122.820 0.021 0.000 2.313 890 A HA 0.790 5.118 4.320 0.013 0.000 0.323 890 A C -0.580 177.030 177.584 0.043 0.000 1.133 890 A CA -1.117 50.935 52.037 0.025 0.000 0.847 890 A CB 0.880 19.894 19.000 0.023 0.000 1.308 890 A HN 0.897 nan 8.150 nan 0.000 0.475 891 L N 1.743 123.003 121.223 0.062 0.000 2.264 891 L HA 0.550 4.898 4.340 0.013 0.000 0.289 891 L C 1.004 177.976 176.870 0.170 0.000 1.044 891 L CA 0.769 55.691 54.840 0.137 0.000 0.807 891 L CB 0.594 42.725 42.059 0.119 0.000 1.192 891 L HN 1.341 nan 8.230 nan 0.000 0.425 892 G N 2.807 111.703 108.800 0.160 0.000 2.741 892 G HA2 0.110 4.078 3.960 0.013 0.000 0.222 892 G HA3 0.110 4.078 3.960 0.013 0.000 0.222 892 G C -0.269 174.618 174.900 -0.021 0.000 1.364 892 G CA -0.453 44.643 45.100 -0.008 0.000 0.866 892 G HN 1.078 nan 8.290 nan 0.000 0.555 893 G N -2.370 106.397 108.800 -0.056 0.000 2.608 893 G HA2 0.779 4.746 3.960 0.013 0.000 0.291 893 G HA3 0.779 4.746 3.960 0.013 0.000 0.291 893 G C -1.871 173.005 174.900 -0.040 0.000 1.425 893 G CA 0.368 45.446 45.100 -0.037 0.000 0.787 893 G HN 0.647 nan 8.290 nan 0.000 0.484 894 P HA 0.025 nan 4.420 nan 0.000 0.221 894 P C 1.313 178.594 177.300 -0.032 0.000 1.145 894 P CA 1.186 64.271 63.100 -0.024 0.000 0.795 894 P CB 0.419 32.109 31.700 -0.017 0.000 0.775 895 S N -1.751 113.924 115.700 -0.041 0.000 2.559 895 S HA 0.160 4.638 4.470 0.013 0.000 0.226 895 S C 0.331 174.890 174.600 -0.068 0.000 1.000 895 S CA -0.163 58.010 58.200 -0.045 0.000 0.948 895 S CB -0.356 62.822 63.200 -0.037 0.000 0.870 895 S HN 0.145 nan 8.310 nan 0.000 0.497 896 N N 1.904 120.547 118.700 -0.095 0.000 2.791 896 N HA 0.254 5.002 4.740 0.013 0.000 0.265 896 N C -0.968 174.407 175.510 -0.225 0.000 1.580 896 N CA -0.286 52.668 53.050 -0.160 0.000 0.809 896 N CB 0.783 39.170 38.487 -0.166 0.000 1.178 896 N HN 0.069 nan 8.380 nan 0.000 0.499 897 R N 0.627 121.028 120.500 -0.165 0.000 2.340 897 R HA 0.330 4.678 4.340 0.013 0.000 0.300 897 R C -0.341 175.854 176.300 -0.176 0.000 1.069 897 R CA -0.403 55.625 56.100 -0.120 0.000 0.984 897 R CB 0.782 31.059 30.300 -0.038 0.000 1.003 897 R HN 0.222 nan 8.270 nan 0.000 0.459 898 F N 0.589 120.541 119.950 0.004 0.000 2.459 898 F HA -0.038 4.497 4.527 0.013 0.000 0.346 898 F C 2.214 178.019 175.800 0.008 0.000 1.128 898 F CA 0.201 58.208 58.000 0.013 0.000 1.268 898 F CB 0.921 39.928 39.000 0.012 0.000 1.161 898 F HN 0.636 nan 8.300 nan 0.000 0.583 899 T N -2.176 112.516 114.554 0.230 0.000 2.759 899 T HA -0.069 4.288 4.350 0.013 0.000 0.269 899 T C 0.710 175.454 174.700 0.074 0.000 1.042 899 T CA 1.563 63.737 62.100 0.122 0.000 1.140 899 T CB -0.200 68.736 68.868 0.114 0.000 0.864 899 T HN 0.679 nan 8.240 nan 0.000 0.455 900 T N -0.700 113.899 114.554 0.075 0.000 2.676 900 T HA 0.527 4.885 4.350 0.013 0.000 0.308 900 T C -2.369 172.285 174.700 -0.076 0.000 1.740 900 T CA -0.282 61.786 62.100 -0.052 0.000 0.982 900 T CB 0.915 69.669 68.868 -0.190 0.000 1.724 900 T HN 0.674 nan 8.240 nan 0.000 0.497 901 A N 1.755 124.483 122.820 -0.155 0.000 2.335 901 A HA 0.733 5.061 4.320 0.013 0.000 0.304 901 A C -1.692 175.790 177.584 -0.169 0.000 1.118 901 A CA -0.432 51.532 52.037 -0.122 0.000 0.757 901 A CB 0.536 19.477 19.000 -0.097 0.000 1.188 901 A HN 0.680 nan 8.150 nan 0.000 0.460 902 Y N 2.760 123.030 120.300 -0.051 0.000 2.452 902 Y HA 0.504 5.062 4.550 0.013 0.000 0.348 902 Y C 0.127 176.003 175.900 -0.039 0.000 0.985 902 Y CA 0.166 58.246 58.100 -0.033 0.000 1.214 902 Y CB 0.603 39.049 38.460 -0.024 0.000 1.136 902 Y HN 0.496 nan 8.280 nan 0.000 0.523 903 L N 1.251 122.518 121.223 0.074 0.000 2.354 903 L HA 0.588 4.935 4.340 0.013 0.000 0.264 903 L C 1.101 177.991 176.870 0.034 0.000 1.008 903 L CA -0.844 54.015 54.840 0.031 0.000 0.819 903 L CB 2.186 44.241 42.059 -0.007 0.000 1.339 903 L HN 0.712 nan 8.230 nan 0.000 0.420 904 G N -0.031 108.782 108.800 0.021 0.000 3.042 904 G HA2 0.240 4.207 3.960 0.013 0.000 0.212 904 G HA3 0.240 4.207 3.960 0.013 0.000 0.212 904 G C 0.221 175.126 174.900 0.008 0.000 1.166 904 G CA 0.648 45.758 45.100 0.017 0.000 0.767 904 G HN 0.605 nan 8.290 nan 0.000 0.546 905 S N -0.926 114.775 115.700 0.001 0.000 2.578 905 S HA 0.319 4.796 4.470 0.013 0.000 0.272 905 S C -1.194 173.399 174.600 -0.010 0.000 1.145 905 S CA -1.054 57.144 58.200 -0.004 0.000 0.835 905 S CB 0.989 64.186 63.200 -0.005 0.000 1.104 905 S HN -0.024 nan 8.310 nan 0.000 0.458 906 N N 1.845 120.538 118.700 -0.012 0.000 2.395 906 N HA 0.289 5.037 4.740 0.013 0.000 0.246 906 N C -2.513 172.987 175.510 -0.017 0.000 1.246 906 N CA -0.460 52.580 53.050 -0.016 0.000 0.879 906 N CB -0.529 37.950 38.487 -0.014 0.000 1.098 906 N HN 0.508 nan 8.380 nan 0.000 0.444 907 P HA 0.040 nan 4.420 nan 0.000 0.264 907 P C -0.205 177.085 177.300 -0.017 0.000 1.179 907 P CA 0.436 63.524 63.100 -0.021 0.000 0.763 907 P CB 0.383 32.070 31.700 -0.021 0.000 0.806 908 I N 3.174 123.733 120.570 -0.017 0.000 2.291 908 I HA 0.186 4.364 4.170 0.013 0.000 0.290 908 I C 0.551 176.659 176.117 -0.015 0.000 1.050 908 I CA -0.708 60.583 61.300 -0.015 0.000 1.245 908 I CB 0.852 38.843 38.000 -0.015 0.000 1.405 908 I HN 0.109 nan 8.210 nan 0.000 0.478 909 V N 5.012 124.918 119.914 -0.013 0.000 2.713 909 V HA 0.777 4.905 4.120 0.013 0.000 0.307 909 V C -0.195 175.893 176.094 -0.010 0.000 1.052 909 V CA 0.396 62.689 62.300 -0.011 0.000 0.967 909 V CB 2.014 33.831 31.823 -0.010 0.000 1.019 909 V HN 0.802 nan 8.190 nan 0.000 0.459 910 T N 0.000 114.549 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.358 4.350 0.013 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658