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 2hfz_1_A DATA FIRST_RESID 274 DATA SEQUENCE SDTSKIKNRI ERLRREYSST WHHDENHPYR TWNYHGSYEV KPTGSASSLV DATA SEQUENCE NGVVRLLSKP WDTITNVTTM AMTDTTPFGQ QRVFKEKVDT KAPEPPEGVK DATA SEQUENCE YVLNETTNWL WAFLAREKRP RMCSREEFIR KVNSNAXXXX XXEEQNQWRS DATA SEQUENCE AREAVEDPKF WEMVDEEREA HLRGECHTCI YNMMGXXXXX XXXXXXXKGS DATA SEQUENCE RAIWFMWLGA RFLEFEALGF LNEDHWLGRK NSGGGVEGLG LQKLGYILRE DATA SEQUENCE VGTRPGGRIY ADDTAGWDTR ITRADLENEA KVLELLDGEH RRLARAIIEL DATA SEQUENCE TYRHKVVKVM RPAADGRTVM DVISREDQRG SGQVVTYALN TFTNLAVQLV DATA SEQUENCE RMMEGEGVIG PDDVEKLTKG KGPKVRTWLS ENGEERLSRM AVSGDDCVVK DATA SEQUENCE PLDDRFATSL HFLNAMSKVR KDIQEWKPST GWYDWQQVPF CSNHFTELIM DATA SEQUENCE KDGRTLVTPc RGQDELVGRA RISPGAGWNV RDTACLAKSY AQMWLLLYFH DATA SEQUENCE RRDLRLMANA ICSAVPVNWV PTGRTTWSIH AGGEWMTTED MLEVWNRVWI DATA SEQUENCE EENEWMEDKT PVEKWSDVPY SGKREDIWcG SLIGTRARAT WAENIQVAIN DATA SEQUENCE QVRSIIGDEK YVDYMSSLKR YEDTTL 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 274 S HA 0.000 nan 4.470 nan 0.000 0.327 274 S C 0.000 174.633 174.600 0.056 0.000 1.055 274 S CA 0.000 58.229 58.200 0.048 0.000 1.107 274 S CB 0.000 63.222 63.200 0.037 0.000 0.593 275 D N 0.999 121.442 120.400 0.073 0.000 2.732 275 D HA 0.742 5.363 4.640 -0.033 0.000 0.229 275 D C -0.916 175.436 176.300 0.087 0.000 1.152 275 D CA -0.016 54.033 54.000 0.083 0.000 0.854 275 D CB 2.394 43.277 40.800 0.139 0.000 1.590 275 D HN 0.209 nan 8.370 nan 0.000 0.468 276 T N 0.290 114.870 114.554 0.043 0.000 4.106 276 T HA 0.048 4.379 4.350 -0.033 0.000 0.150 276 T C 0.230 174.919 174.700 -0.019 0.000 0.506 276 T CA 0.148 62.273 62.100 0.041 0.000 0.897 276 T CB -0.646 68.290 68.868 0.113 0.000 1.295 276 T HN 0.383 nan 8.240 nan 0.000 0.506 277 S N 0.185 115.829 115.700 -0.093 0.000 3.448 277 S HA 0.192 4.642 4.470 -0.033 0.000 0.254 277 S C 1.499 176.010 174.600 -0.149 0.000 1.102 277 S CA -0.497 57.646 58.200 -0.095 0.000 0.797 277 S CB 0.090 63.247 63.200 -0.073 0.000 0.891 277 S HN 0.200 nan 8.310 nan 0.000 0.474 278 K N 1.301 121.544 120.400 -0.262 0.000 2.515 278 K HA 0.247 4.548 4.320 -0.033 0.000 0.196 278 K C 1.261 177.723 176.600 -0.229 0.000 1.038 278 K CA 0.669 56.789 56.287 -0.279 0.000 0.967 278 K CB -0.258 31.981 32.500 -0.435 0.000 0.780 278 K HN 0.513 nan 8.250 nan 0.000 0.483 279 I N 0.377 120.820 120.570 -0.211 0.000 3.526 279 I HA -0.057 4.093 4.170 -0.033 0.000 0.294 279 I C 2.306 178.351 176.117 -0.120 0.000 1.229 279 I CA 0.176 61.389 61.300 -0.145 0.000 1.408 279 I CB -0.002 37.910 38.000 -0.146 0.000 1.127 279 I HN -0.038 nan 8.210 nan 0.000 0.439 280 K N 1.454 121.795 120.400 -0.099 0.000 2.089 280 K HA -0.265 4.035 4.320 -0.033 0.000 0.210 280 K C 1.751 178.330 176.600 -0.036 0.000 1.048 280 K CA 1.751 58.001 56.287 -0.062 0.000 0.926 280 K CB -0.183 32.296 32.500 -0.036 0.000 0.714 280 K HN 0.333 nan 8.250 nan 0.000 0.448 281 N N 0.785 119.474 118.700 -0.017 0.000 2.061 281 N HA -0.172 4.548 4.740 -0.033 0.000 0.193 281 N C 1.890 177.464 175.510 0.105 0.000 1.030 281 N CA 1.224 54.318 53.050 0.073 0.000 0.856 281 N CB -0.210 38.270 38.487 -0.011 0.000 1.023 281 N HN 0.311 nan 8.380 nan 0.000 0.424 282 R N 0.654 121.176 120.500 0.037 0.000 2.061 282 R HA -0.013 4.307 4.340 -0.033 0.000 0.230 282 R C 2.390 178.687 176.300 -0.005 0.000 1.140 282 R CA 0.974 57.100 56.100 0.044 0.000 0.940 282 R CB -0.772 29.550 30.300 0.037 0.000 0.839 282 R HN 0.226 nan 8.270 nan 0.000 0.429 283 I N 1.288 121.825 120.570 -0.054 0.000 2.315 283 I HA -0.269 3.881 4.170 -0.033 0.000 0.251 283 I C 2.487 178.484 176.117 -0.200 0.000 1.125 283 I CA 1.296 62.544 61.300 -0.087 0.000 1.392 283 I CB -0.305 37.649 38.000 -0.078 0.000 1.065 283 I HN 0.090 nan 8.210 nan 0.000 0.424 284 E N 0.834 120.948 120.200 -0.143 0.000 2.015 284 E HA -0.214 4.116 4.350 -0.033 0.000 0.191 284 E C 2.261 178.740 176.600 -0.203 0.000 0.991 284 E CA 1.094 57.386 56.400 -0.180 0.000 0.802 284 E CB -0.334 29.306 29.700 -0.099 0.000 0.759 284 E HN 0.284 nan 8.360 nan 0.000 0.447 285 R N 0.525 120.950 120.500 -0.126 0.000 2.211 285 R HA -0.077 4.244 4.340 -0.033 0.000 0.240 285 R C 2.237 178.447 176.300 -0.150 0.000 1.144 285 R CA 1.043 57.066 56.100 -0.128 0.000 0.992 285 R CB -0.485 29.780 30.300 -0.059 0.000 0.869 285 R HN 0.213 nan 8.270 nan 0.000 0.462 286 L N -0.702 120.421 121.223 -0.167 0.000 2.168 286 L HA 0.076 4.396 4.340 -0.033 0.000 0.203 286 L C 2.658 179.293 176.870 -0.391 0.000 1.078 286 L CA 1.139 55.886 54.840 -0.156 0.000 0.780 286 L CB -0.365 41.683 42.059 -0.019 0.000 0.939 286 L HN 0.238 nan 8.230 nan 0.000 0.451 287 R N 0.836 120.882 120.500 -0.757 0.000 2.120 287 R HA -0.120 4.200 4.340 -0.033 0.000 0.234 287 R C 1.622 177.635 176.300 -0.477 0.000 1.123 287 R CA 1.087 56.543 56.100 -1.073 0.000 0.975 287 R CB 0.029 29.584 30.300 -1.241 0.000 0.866 287 R HN 0.293 nan 8.270 nan 0.000 0.446 288 R N -0.214 120.085 120.500 -0.336 0.000 2.363 288 R HA 0.076 4.396 4.340 -0.033 0.000 0.236 288 R C 0.598 176.770 176.300 -0.213 0.000 0.966 288 R CA 0.331 56.300 56.100 -0.220 0.000 1.100 288 R CB 0.333 30.523 30.300 -0.182 0.000 1.125 288 R HN 0.408 nan 8.270 nan 0.000 0.514 289 E N -0.262 119.770 120.200 -0.279 0.000 2.441 289 E HA 0.087 4.417 4.350 -0.033 0.000 0.207 289 E C -0.061 176.242 176.600 -0.494 0.000 0.803 289 E CA 0.057 56.212 56.400 -0.409 0.000 1.240 289 E CB 0.537 29.904 29.700 -0.554 0.000 1.233 289 E HN 0.225 nan 8.360 nan 0.000 0.590 290 Y N 0.239 120.448 120.300 -0.152 0.000 2.658 290 Y HA 0.259 4.789 4.550 -0.032 0.000 0.276 290 Y C 1.748 177.721 175.900 0.120 0.000 1.167 290 Y CA -0.024 58.032 58.100 -0.072 0.000 1.230 290 Y CB 0.598 38.839 38.460 -0.365 0.000 1.144 290 Y HN -0.011 nan 8.280 nan 0.000 0.529 291 S N 0.362 116.134 115.700 0.119 0.000 2.383 291 S HA -0.211 4.239 4.470 -0.033 0.000 0.229 291 S C 2.223 176.949 174.600 0.210 0.000 1.030 291 S CA 2.009 60.297 58.200 0.147 0.000 1.002 291 S CB -0.323 62.887 63.200 0.016 0.000 0.829 291 S HN 0.596 nan 8.310 nan 0.000 0.467 292 S N -0.249 115.547 115.700 0.159 0.000 2.500 292 S HA -0.040 4.410 4.470 -0.033 0.000 0.239 292 S C 1.334 176.065 174.600 0.218 0.000 0.989 292 S CA 1.324 59.618 58.200 0.156 0.000 0.951 292 S CB -0.578 62.689 63.200 0.113 0.000 0.759 292 S HN 0.687 nan 8.310 nan 0.000 0.523 293 T N -1.912 112.832 114.554 0.316 0.000 2.980 293 T HA 0.158 4.489 4.350 -0.033 0.000 0.252 293 T C 0.406 175.395 174.700 0.482 0.000 0.962 293 T CA -0.703 61.622 62.100 0.375 0.000 0.932 293 T CB -0.225 68.886 68.868 0.406 0.000 1.188 293 T HN 0.482 nan 8.240 nan 0.000 0.500 294 W N 5.474 126.933 121.300 0.264 0.000 2.470 294 W HA 0.051 4.691 4.660 -0.033 0.000 0.341 294 W C 0.113 176.800 176.519 0.281 0.000 1.199 294 W CA 1.450 58.923 57.345 0.215 0.000 1.339 294 W CB 0.151 29.699 29.460 0.147 0.000 1.178 294 W HN 0.499 nan 8.180 nan 0.000 0.578 295 H N 1.185 120.065 119.070 -0.316 0.000 2.919 295 H HA 0.072 4.609 4.556 -0.033 0.000 0.270 295 H C -2.081 173.164 175.328 -0.138 0.000 1.412 295 H CA -0.853 55.143 56.048 -0.088 0.000 1.261 295 H CB 0.662 30.436 29.762 0.021 0.000 1.850 295 H HN 0.554 nan 8.280 nan 0.000 0.478 296 H N 0.570 119.720 119.070 0.133 0.000 2.463 296 H HA 0.233 4.770 4.556 -0.032 0.000 0.332 296 H C -0.189 175.337 175.328 0.330 0.000 1.127 296 H CA 0.109 56.282 56.048 0.208 0.000 1.238 296 H CB 1.602 31.495 29.762 0.219 0.000 1.478 296 H HN 0.652 nan 8.280 nan 0.000 0.499 297 D N 1.819 122.214 120.400 -0.009 0.000 2.259 297 D HA -0.063 4.558 4.640 -0.033 0.000 0.216 297 D C 0.690 176.982 176.300 -0.013 0.000 0.961 297 D CA 1.087 55.091 54.000 0.007 0.000 0.878 297 D CB 0.295 41.016 40.800 -0.131 0.000 1.009 297 D HN 0.849 nan 8.370 nan 0.000 0.490 298 E N -0.825 119.346 120.200 -0.049 0.000 3.370 298 E HA -0.255 4.075 4.350 -0.033 0.000 0.291 298 E C -0.158 176.333 176.600 -0.181 0.000 0.916 298 E CA 1.099 57.524 56.400 0.043 0.000 0.981 298 E CB -1.302 28.493 29.700 0.158 0.000 1.498 298 E HN 0.349 nan 8.360 nan 0.000 0.452 299 N N -0.590 117.940 118.700 -0.285 0.000 2.143 299 N HA 0.016 4.736 4.740 -0.033 0.000 0.222 299 N C -0.481 174.772 175.510 -0.429 0.000 1.264 299 N CA 0.339 53.210 53.050 -0.297 0.000 0.897 299 N CB 0.389 38.767 38.487 -0.182 0.000 1.092 299 N HN 0.385 nan 8.380 nan 0.000 0.516 300 H N 1.418 120.173 119.070 -0.525 0.000 3.107 300 H HA 0.100 4.636 4.556 -0.033 0.000 0.301 300 H C -1.878 173.146 175.328 -0.505 0.000 0.981 300 H CA -0.928 54.701 56.048 -0.698 0.000 1.443 300 H CB 0.521 29.604 29.762 -1.132 0.000 1.479 300 H HN 0.009 nan 8.280 nan 0.000 0.564 301 P HA -0.050 nan 4.420 nan 0.000 0.245 301 P C -0.699 176.496 177.300 -0.175 0.000 1.206 301 P CA 0.126 62.991 63.100 -0.391 0.000 0.781 301 P CB 0.020 31.467 31.700 -0.422 0.000 0.994 302 Y N 1.494 121.949 120.300 0.258 0.000 2.605 302 Y HA 0.117 4.647 4.550 -0.033 0.000 0.336 302 Y C 1.899 178.002 175.900 0.339 0.000 1.111 302 Y CA 0.034 58.333 58.100 0.332 0.000 1.422 302 Y CB 0.046 38.668 38.460 0.270 0.000 1.193 302 Y HN -0.097 nan 8.280 nan 0.000 0.526 303 R N 0.520 121.258 120.500 0.395 0.000 2.521 303 R HA 0.135 4.456 4.340 -0.033 0.000 0.289 303 R C 0.487 176.929 176.300 0.237 0.000 0.936 303 R CA 0.360 56.625 56.100 0.275 0.000 1.089 303 R CB 0.394 30.799 30.300 0.176 0.000 1.348 303 R HN 0.566 nan 8.270 nan 0.000 0.536 304 T N -0.412 114.332 114.554 0.316 0.000 3.042 304 T HA 0.100 4.430 4.350 -0.033 0.000 0.245 304 T C 0.369 175.167 174.700 0.164 0.000 1.029 304 T CA 0.451 62.672 62.100 0.201 0.000 1.120 304 T CB 0.184 69.170 68.868 0.197 0.000 0.917 304 T HN 0.060 nan 8.240 nan 0.000 0.467 305 W N 1.874 123.304 121.300 0.217 0.000 2.380 305 W HA 0.496 5.136 4.660 -0.033 0.000 0.441 305 W C 0.421 177.005 176.519 0.109 0.000 1.762 305 W CA -0.962 56.490 57.345 0.179 0.000 1.905 305 W CB 0.310 29.926 29.460 0.259 0.000 1.624 305 W HN -0.134 nan 8.180 nan 0.000 0.717 306 N N 1.069 119.957 118.700 0.312 0.000 2.483 306 N HA 0.092 4.812 4.740 -0.033 0.000 0.267 306 N C -1.762 173.588 175.510 -0.266 0.000 0.998 306 N CA -0.606 52.456 53.050 0.019 0.000 0.918 306 N CB 1.150 39.656 38.487 0.031 0.000 1.215 306 N HN 0.300 nan 8.380 nan 0.000 0.500 307 Y N 2.847 122.879 120.300 -0.445 0.000 2.359 307 Y HA 0.090 4.620 4.550 -0.033 0.000 0.330 307 Y C 0.788 176.360 175.900 -0.547 0.000 1.143 307 Y CA 0.510 58.310 58.100 -0.500 0.000 1.318 307 Y CB 0.392 38.484 38.460 -0.613 0.000 1.234 307 Y HN 0.546 nan 8.280 nan 0.000 0.522 308 H N 3.942 122.625 119.070 -0.644 0.000 3.078 308 H HA 0.360 4.896 4.556 -0.033 0.000 0.263 308 H C 0.796 175.826 175.328 -0.496 0.000 1.177 308 H CA 0.421 56.273 56.048 -0.327 0.000 1.128 308 H CB 0.539 30.287 29.762 -0.024 0.000 1.623 308 H HN 0.892 nan 8.280 nan 0.000 0.592 309 G N 0.984 108.927 108.800 -1.428 0.000 2.373 309 G HA2 0.043 3.983 3.960 -0.033 0.000 0.634 309 G HA3 0.043 3.983 3.960 -0.033 0.000 0.634 309 G C -0.925 173.281 174.900 -1.156 0.000 1.267 309 G CA -0.351 43.985 45.100 -1.274 0.000 1.008 309 G HN 0.480 nan 8.290 nan 0.000 0.497 310 S N -1.645 113.307 115.700 -1.247 0.000 2.661 310 S HA 0.895 5.345 4.470 -0.033 0.000 0.268 310 S C -1.170 172.997 174.600 -0.723 0.000 1.162 310 S CA -0.216 57.480 58.200 -0.840 0.000 0.817 310 S CB 1.990 64.892 63.200 -0.496 0.000 1.141 310 S HN 2.357 nan 8.310 nan 0.000 0.477 311 Y N -1.577 118.490 120.300 -0.388 0.000 2.581 311 Y HA 0.704 5.235 4.550 -0.032 0.000 0.337 311 Y C -0.716 175.170 175.900 -0.024 0.000 1.108 311 Y CA -1.147 56.887 58.100 -0.110 0.000 1.033 311 Y CB 0.586 39.058 38.460 0.019 0.000 1.318 311 Y HN 0.628 nan 8.280 nan 0.000 0.459 312 E N 1.970 122.297 120.200 0.211 0.000 2.415 312 E HA 0.352 4.682 4.350 -0.033 0.000 0.263 312 E C -0.622 176.037 176.600 0.098 0.000 0.995 312 E CA 0.299 56.771 56.400 0.120 0.000 0.915 312 E CB 1.414 31.203 29.700 0.148 0.000 0.951 312 E HN 0.730 nan 8.360 nan 0.000 0.449 313 V N 0.853 120.771 119.914 0.005 0.000 3.087 313 V HA 0.461 4.561 4.120 -0.033 0.000 0.306 313 V C -0.557 175.542 176.094 0.009 0.000 1.187 313 V CA -1.249 61.058 62.300 0.012 0.000 0.999 313 V CB 2.171 33.943 31.823 -0.085 0.000 1.049 313 V HN 0.344 nan 8.190 nan 0.000 0.431 314 K N 2.110 122.527 120.400 0.029 0.000 2.230 314 K HA 0.451 4.752 4.320 -0.033 0.000 0.253 314 K C -2.610 173.993 176.600 0.005 0.000 1.008 314 K CA -1.653 54.648 56.287 0.023 0.000 0.910 314 K CB 0.223 32.743 32.500 0.034 0.000 0.994 314 K HN 0.597 nan 8.250 nan 0.000 0.495 315 P HA 0.154 nan 4.420 nan 0.000 0.284 315 P C 0.345 177.650 177.300 0.007 0.000 1.432 315 P CA -0.192 62.909 63.100 0.002 0.000 0.929 315 P CB 0.698 32.402 31.700 0.007 0.000 1.158 316 T N -0.495 114.059 114.554 -0.000 0.000 3.081 316 T HA 0.056 4.386 4.350 -0.033 0.000 0.255 316 T C 1.180 175.879 174.700 -0.002 0.000 1.113 316 T CA 0.097 62.197 62.100 0.000 0.000 1.082 316 T CB -0.650 68.212 68.868 -0.011 0.000 0.939 316 T HN 0.336 nan 8.240 nan 0.000 0.506 317 G N 2.726 111.526 108.800 0.000 0.000 2.178 317 G HA2 0.259 4.200 3.960 -0.033 0.000 0.276 317 G HA3 0.259 4.200 3.960 -0.033 0.000 0.276 317 G C 0.202 175.107 174.900 0.009 0.000 1.038 317 G CA 0.252 45.356 45.100 0.007 0.000 1.177 317 G HN 0.685 nan 8.290 nan 0.000 0.396 318 S N 2.374 118.072 115.700 -0.004 0.000 2.558 318 S HA 0.279 4.729 4.470 -0.033 0.000 0.288 318 S C 1.945 176.546 174.600 0.003 0.000 1.318 318 S CA 0.360 58.555 58.200 -0.009 0.000 1.056 318 S CB 0.928 64.108 63.200 -0.033 0.000 0.853 318 S HN 1.357 nan 8.310 nan 0.000 0.505 319 A N 3.983 126.806 122.820 0.004 0.000 1.927 319 A HA 0.005 4.305 4.320 -0.033 0.000 0.220 319 A C 1.998 179.586 177.584 0.007 0.000 1.185 319 A CA 2.196 54.236 52.037 0.005 0.000 0.639 319 A CB -0.828 18.174 19.000 0.003 0.000 0.820 319 A HN 1.053 nan 8.150 nan 0.000 0.451 320 S N -4.085 111.615 115.700 -0.000 0.000 6.644 320 S HA 0.234 4.684 4.470 -0.033 0.000 0.093 320 S C -0.209 174.383 174.600 -0.014 0.000 1.396 320 S CA 0.268 58.468 58.200 0.000 0.000 1.109 320 S CB -0.372 62.830 63.200 0.002 0.000 1.676 320 S HN 1.182 nan 8.310 nan 0.000 0.577 321 S N 2.921 118.609 115.700 -0.020 0.000 2.536 321 S HA 0.832 5.283 4.470 -0.033 0.000 0.298 321 S C -1.332 173.244 174.600 -0.040 0.000 1.083 321 S CA -0.760 57.421 58.200 -0.032 0.000 0.995 321 S CB 1.466 64.647 63.200 -0.032 0.000 1.058 321 S HN 0.383 nan 8.310 nan 0.000 0.488 322 L N 2.681 123.873 121.223 -0.051 0.000 2.305 322 L HA 0.586 4.907 4.340 -0.033 0.000 0.284 322 L C -0.311 176.530 176.870 -0.048 0.000 1.013 322 L CA -0.885 53.918 54.840 -0.062 0.000 0.819 322 L CB 0.581 42.584 42.059 -0.094 0.000 1.227 322 L HN 0.637 nan 8.230 nan 0.000 0.417 323 V N 1.354 121.246 119.914 -0.037 0.000 2.617 323 V HA 0.378 4.478 4.120 -0.033 0.000 0.298 323 V C 0.617 176.699 176.094 -0.020 0.000 1.048 323 V CA -0.866 61.416 62.300 -0.030 0.000 0.964 323 V CB 1.918 33.730 31.823 -0.019 0.000 1.004 323 V HN 0.779 nan 8.190 nan 0.000 0.466 324 N N 2.701 121.389 118.700 -0.021 0.000 2.415 324 N HA 0.119 4.839 4.740 -0.033 0.000 0.250 324 N C 1.298 176.816 175.510 0.013 0.000 1.127 324 N CA 0.577 53.626 53.050 -0.001 0.000 0.945 324 N CB 1.559 40.037 38.487 -0.015 0.000 1.196 324 N HN 0.925 nan 8.380 nan 0.000 0.499 325 G N 2.595 111.414 108.800 0.032 0.000 2.499 325 G HA2 -0.181 3.759 3.960 -0.033 0.000 0.221 325 G HA3 -0.181 3.759 3.960 -0.033 0.000 0.221 325 G C 1.333 176.265 174.900 0.053 0.000 1.109 325 G CA 0.719 45.845 45.100 0.044 0.000 0.749 325 G HN 0.474 nan 8.290 nan 0.000 0.568 326 V N 0.302 120.251 119.914 0.058 0.000 2.283 326 V HA -0.103 3.998 4.120 -0.033 0.000 0.239 326 V C 2.903 179.030 176.094 0.056 0.000 1.035 326 V CA 1.235 63.574 62.300 0.066 0.000 1.018 326 V CB -0.602 31.271 31.823 0.083 0.000 0.658 326 V HN 0.203 nan 8.190 nan 0.000 0.459 327 V N 0.966 120.896 119.914 0.028 0.000 2.380 327 V HA -0.320 3.780 4.120 -0.033 0.000 0.251 327 V C 2.594 178.701 176.094 0.023 0.000 1.063 327 V CA 2.618 64.922 62.300 0.008 0.000 1.055 327 V CB -0.996 30.782 31.823 -0.075 0.000 0.657 327 V HN 0.600 nan 8.190 nan 0.000 0.455 328 R N 0.232 120.743 120.500 0.019 0.000 2.062 328 R HA -0.101 4.219 4.340 -0.033 0.000 0.231 328 R C 2.245 178.585 176.300 0.067 0.000 1.136 328 R CA 1.727 57.845 56.100 0.030 0.000 0.948 328 R CB -0.412 29.901 30.300 0.021 0.000 0.845 328 R HN 0.438 nan 8.270 nan 0.000 0.430 329 L N 0.602 121.870 121.223 0.075 0.000 2.201 329 L HA -0.051 4.269 4.340 -0.033 0.000 0.212 329 L C 1.400 178.359 176.870 0.148 0.000 1.105 329 L CA 0.726 55.623 54.840 0.094 0.000 0.775 329 L CB -0.002 42.101 42.059 0.073 0.000 0.913 329 L HN 0.305 nan 8.230 nan 0.000 0.440 330 L N -0.525 120.799 121.223 0.168 0.000 2.851 330 L HA 0.091 4.411 4.340 -0.033 0.000 0.237 330 L C 0.504 177.640 176.870 0.444 0.000 1.257 330 L CA 0.031 55.042 54.840 0.286 0.000 1.061 330 L CB -0.115 42.071 42.059 0.211 0.000 1.372 330 L HN 0.212 nan 8.230 nan 0.000 0.493 331 S N -3.090 112.769 115.700 0.266 0.000 2.589 331 S HA 0.071 4.521 4.470 -0.033 0.000 0.210 331 S C 0.764 175.449 174.600 0.141 0.000 0.803 331 S CA -0.720 57.523 58.200 0.072 0.000 1.061 331 S CB 0.271 63.403 63.200 -0.115 0.000 1.637 331 S HN 0.240 nan 8.310 nan 0.000 0.462 332 K N 2.447 122.945 120.400 0.164 0.000 2.059 332 K HA -0.040 4.261 4.320 -0.033 0.000 0.212 332 K C -1.157 175.445 176.600 0.004 0.000 1.050 332 K CA 2.416 58.761 56.287 0.097 0.000 0.927 332 K CB -1.045 31.529 32.500 0.124 0.000 0.714 332 K HN 0.372 nan 8.250 nan 0.000 0.447 333 P HA -0.199 nan 4.420 nan 0.000 0.216 333 P C 0.400 177.481 177.300 -0.366 0.000 1.153 333 P CA 1.325 64.209 63.100 -0.361 0.000 0.858 333 P CB -0.187 31.037 31.700 -0.794 0.000 0.789 334 W N -0.343 120.788 121.300 -0.282 0.000 2.848 334 W HA -0.066 4.581 4.660 -0.020 0.000 0.241 334 W C 1.078 177.509 176.519 -0.145 0.000 1.289 334 W CA 0.510 57.725 57.345 -0.216 0.000 1.396 334 W CB -0.730 28.588 29.460 -0.236 0.000 1.138 334 W HN 0.100 nan 8.180 nan 0.000 0.677 335 D N -0.072 120.348 120.400 0.034 0.000 2.092 335 D HA -0.160 4.461 4.640 -0.033 0.000 0.193 335 D C 2.165 178.453 176.300 -0.020 0.000 0.994 335 D CA 2.173 56.179 54.000 0.011 0.000 0.828 335 D CB -0.523 40.274 40.800 -0.005 0.000 0.963 335 D HN -0.046 nan 8.370 nan 0.000 0.450 336 T N -1.125 113.392 114.554 -0.062 0.000 3.393 336 T HA 0.217 4.547 4.350 -0.033 0.000 0.248 336 T C 0.127 174.772 174.700 -0.092 0.000 0.992 336 T CA -0.406 61.650 62.100 -0.074 0.000 0.929 336 T CB -0.798 68.018 68.868 -0.086 0.000 1.065 336 T HN -0.159 nan 8.240 nan 0.000 0.597 337 I N 3.298 123.824 120.570 -0.074 0.000 2.347 337 I HA 0.216 4.367 4.170 -0.033 0.000 0.283 337 I C 1.417 177.511 176.117 -0.038 0.000 1.058 337 I CA -0.352 60.903 61.300 -0.075 0.000 1.202 337 I CB 1.165 39.119 38.000 -0.076 0.000 1.386 337 I HN 0.323 nan 8.210 nan 0.000 0.475 338 T N 0.742 115.269 114.554 -0.044 0.000 3.728 338 T HA -0.026 4.304 4.350 -0.033 0.000 0.260 338 T C 1.041 175.724 174.700 -0.029 0.000 1.177 338 T CA 0.701 62.782 62.100 -0.033 0.000 0.987 338 T CB -0.537 68.311 68.868 -0.034 0.000 1.012 338 T HN 0.488 nan 8.240 nan 0.000 0.581 339 N N -0.201 118.484 118.700 -0.024 0.000 2.266 339 N HA 0.105 4.826 4.740 -0.033 0.000 0.217 339 N C 1.728 177.225 175.510 -0.022 0.000 1.211 339 N CA 0.930 53.966 53.050 -0.024 0.000 0.881 339 N CB 1.291 39.764 38.487 -0.024 0.000 1.153 339 N HN 0.493 nan 8.380 nan 0.000 0.489 340 V N -1.032 118.879 119.914 -0.007 0.000 3.125 340 V HA 0.095 4.196 4.120 -0.033 0.000 0.249 340 V C 2.371 178.449 176.094 -0.027 0.000 1.113 340 V CA 1.507 63.799 62.300 -0.013 0.000 1.106 340 V CB -0.456 31.387 31.823 0.032 0.000 0.768 340 V HN 0.195 nan 8.190 nan 0.000 0.468 341 T N -0.610 113.933 114.554 -0.018 0.000 2.639 341 T HA -0.269 4.061 4.350 -0.033 0.000 0.261 341 T C 2.123 176.805 174.700 -0.029 0.000 1.053 341 T CA 2.789 64.876 62.100 -0.022 0.000 1.158 341 T CB -1.383 67.474 68.868 -0.017 0.000 0.863 341 T HN 0.663 nan 8.240 nan 0.000 0.413 342 T N 0.722 115.259 114.554 -0.027 0.000 2.802 342 T HA -0.187 4.143 4.350 -0.033 0.000 0.269 342 T C 1.894 176.572 174.700 -0.036 0.000 1.062 342 T CA 1.896 63.980 62.100 -0.027 0.000 1.133 342 T CB -0.821 68.034 68.868 -0.023 0.000 0.852 342 T HN 0.542 nan 8.240 nan 0.000 0.485 343 M N -0.489 119.083 119.600 -0.048 0.000 2.562 343 M HA 0.240 4.700 4.480 -0.033 0.000 0.257 343 M C 2.105 178.358 176.300 -0.079 0.000 1.099 343 M CA 1.130 56.389 55.300 -0.067 0.000 1.099 343 M CB -0.282 32.269 32.600 -0.082 0.000 1.427 343 M HN 0.445 nan 8.290 nan 0.000 0.489 344 A N 0.525 123.306 122.820 -0.064 0.000 1.901 344 A HA 0.153 4.453 4.320 -0.033 0.000 0.210 344 A C 1.150 178.704 177.584 -0.050 0.000 1.208 344 A CA 0.069 52.066 52.037 -0.065 0.000 0.644 344 A CB -0.199 18.767 19.000 -0.057 0.000 0.863 344 A HN 0.524 nan 8.150 nan 0.000 0.454 345 M N 2.499 122.078 119.600 -0.035 0.000 2.292 345 M HA 0.196 4.657 4.480 -0.033 0.000 0.342 345 M C 0.170 176.460 176.300 -0.016 0.000 1.538 345 M CA 0.240 55.527 55.300 -0.022 0.000 1.163 345 M CB 0.333 32.925 32.600 -0.013 0.000 1.823 345 M HN 0.519 nan 8.290 nan 0.000 0.462 346 T N -0.260 114.285 114.554 -0.015 0.000 2.940 346 T HA 0.497 4.827 4.350 -0.033 0.000 0.288 346 T C -0.833 173.873 174.700 0.011 0.000 1.045 346 T CA -1.060 61.037 62.100 -0.005 0.000 1.018 346 T CB 1.586 70.445 68.868 -0.015 0.000 1.151 346 T HN 0.450 nan 8.240 nan 0.000 0.529 347 D N 0.287 120.703 120.400 0.025 0.000 2.472 347 D HA 0.381 5.001 4.640 -0.033 0.000 0.234 347 D C 0.597 176.919 176.300 0.037 0.000 1.088 347 D CA -0.447 53.581 54.000 0.047 0.000 0.882 347 D CB 1.101 41.954 40.800 0.088 0.000 1.037 347 D HN 0.603 nan 8.370 nan 0.000 0.520 348 T N 0.866 115.435 114.554 0.024 0.000 3.100 348 T HA 0.033 4.363 4.350 -0.033 0.000 0.253 348 T C 1.026 175.738 174.700 0.020 0.000 1.118 348 T CA 0.216 62.322 62.100 0.011 0.000 1.058 348 T CB -0.042 68.821 68.868 -0.007 0.000 0.953 348 T HN 0.546 nan 8.240 nan 0.000 0.515 349 T N 0.810 115.392 114.554 0.047 0.000 2.900 349 T HA 0.114 4.444 4.350 -0.033 0.000 0.307 349 T C -1.864 172.878 174.700 0.071 0.000 1.065 349 T CA -1.351 60.787 62.100 0.064 0.000 1.105 349 T CB 0.809 69.735 68.868 0.097 0.000 0.979 349 T HN -0.121 nan 8.240 nan 0.000 0.544 350 P HA -0.042 nan 4.420 nan 0.000 0.220 350 P C 0.999 178.336 177.300 0.061 0.000 1.144 350 P CA 0.663 63.781 63.100 0.030 0.000 0.800 350 P CB -0.111 31.601 31.700 0.020 0.000 0.772 351 F N 0.360 120.293 119.950 -0.028 0.000 2.149 351 F HA 0.070 4.577 4.527 -0.034 0.000 0.294 351 F C 2.283 178.077 175.800 -0.010 0.000 1.095 351 F CA 1.797 59.783 58.000 -0.023 0.000 1.276 351 F CB -0.811 38.177 39.000 -0.019 0.000 1.023 351 F HN -0.139 nan 8.300 nan 0.000 0.480 352 G N -0.453 108.409 108.800 0.102 0.000 2.408 352 G HA2 -0.195 3.746 3.960 -0.033 0.000 0.217 352 G HA3 -0.195 3.746 3.960 -0.033 0.000 0.217 352 G C 1.422 176.296 174.900 -0.043 0.000 1.150 352 G CA 0.567 45.672 45.100 0.008 0.000 0.776 352 G HN 0.441 nan 8.290 nan 0.000 0.542 353 Q N -0.485 119.305 119.800 -0.017 0.000 2.226 353 Q HA -0.083 4.238 4.340 -0.033 0.000 0.204 353 Q C 2.659 178.652 176.000 -0.012 0.000 0.975 353 Q CA 0.885 56.684 55.803 -0.006 0.000 0.866 353 Q CB -0.043 28.683 28.738 -0.020 0.000 0.915 353 Q HN 0.386 nan 8.270 nan 0.000 0.440 354 Q N 0.382 120.126 119.800 -0.094 0.000 2.089 354 Q HA -0.089 4.232 4.340 -0.033 0.000 0.195 354 Q C 2.125 178.061 176.000 -0.107 0.000 0.963 354 Q CA 1.267 57.003 55.803 -0.113 0.000 0.834 354 Q CB -0.129 28.491 28.738 -0.196 0.000 0.906 354 Q HN 0.429 nan 8.270 nan 0.000 0.452 355 R N 0.015 120.362 120.500 -0.254 0.000 2.083 355 R HA -0.102 4.218 4.340 -0.033 0.000 0.237 355 R C 2.084 178.343 176.300 -0.068 0.000 1.137 355 R CA 1.873 57.838 56.100 -0.224 0.000 0.951 355 R CB -0.960 29.142 30.300 -0.330 0.000 0.851 355 R HN -0.028 nan 8.270 nan 0.000 0.434 356 V N 0.839 120.738 119.914 -0.025 0.000 2.255 356 V HA -0.230 3.871 4.120 -0.033 0.000 0.247 356 V C 2.203 178.340 176.094 0.071 0.000 1.051 356 V CA 2.093 64.409 62.300 0.028 0.000 1.018 356 V CB -0.724 31.127 31.823 0.045 0.000 0.641 356 V HN 0.350 nan 8.190 nan 0.000 0.445 357 F N 0.701 120.632 119.950 -0.031 0.000 2.449 357 F HA -0.119 4.388 4.527 -0.033 0.000 0.299 357 F C 1.765 177.578 175.800 0.022 0.000 1.092 357 F CA 1.354 59.353 58.000 -0.002 0.000 1.446 357 F CB -0.007 38.974 39.000 -0.031 0.000 1.084 357 F HN 0.055 nan 8.300 nan 0.000 0.567 358 K N 0.395 120.872 120.400 0.129 0.000 2.969 358 K HA 0.132 4.432 4.320 -0.033 0.000 0.222 358 K C 0.353 176.962 176.600 0.015 0.000 1.172 358 K CA 0.121 56.449 56.287 0.068 0.000 1.192 358 K CB 0.123 32.636 32.500 0.022 0.000 1.111 358 K HN 0.356 nan 8.250 nan 0.000 0.457 359 E N 0.147 120.345 120.200 -0.003 0.000 2.552 359 E HA -0.031 4.300 4.350 -0.033 0.000 0.189 359 E C -0.792 175.802 176.600 -0.010 0.000 0.970 359 E CA -0.079 56.319 56.400 -0.004 0.000 1.571 359 E CB 0.587 30.286 29.700 -0.002 0.000 2.223 359 E HN 0.210 nan 8.360 nan 0.000 1.018 360 K N 1.990 122.370 120.400 -0.034 0.000 2.591 360 K HA 0.054 4.354 4.320 -0.033 0.000 0.280 360 K C 0.389 176.986 176.600 -0.006 0.000 0.964 360 K CA 0.004 56.277 56.287 -0.023 0.000 1.014 360 K CB 0.198 32.666 32.500 -0.054 0.000 0.877 360 K HN -0.210 nan 8.250 nan 0.000 0.502 361 V N 0.578 120.494 119.914 0.003 0.000 2.655 361 V HA 0.038 4.138 4.120 -0.033 0.000 0.300 361 V C -0.081 176.002 176.094 -0.018 0.000 1.044 361 V CA -0.249 62.049 62.300 -0.003 0.000 1.095 361 V CB 0.415 32.239 31.823 0.001 0.000 0.952 361 V HN 0.894 nan 8.190 nan 0.000 0.485 362 D N 1.860 122.249 120.400 -0.019 0.000 2.863 362 D HA 0.596 5.217 4.640 -0.033 0.000 0.245 362 D C -0.201 176.083 176.300 -0.027 0.000 1.211 362 D CA -0.114 53.868 54.000 -0.029 0.000 0.888 362 D CB 1.921 42.710 40.800 -0.017 0.000 1.483 362 D HN 0.845 nan 8.370 nan 0.000 0.533 363 T N 2.977 117.508 114.554 -0.038 0.000 5.335 363 T HA -0.035 4.296 4.350 -0.033 0.000 0.286 363 T C -0.668 174.003 174.700 -0.048 0.000 0.923 363 T CA -0.606 61.473 62.100 -0.035 0.000 0.581 363 T CB -0.437 68.412 68.868 -0.032 0.000 0.565 363 T HN 0.351 nan 8.240 nan 0.000 0.261 364 K N 2.618 122.986 120.400 -0.055 0.000 2.237 364 K HA 0.016 4.316 4.320 -0.033 0.000 0.249 364 K C 0.830 177.392 176.600 -0.064 0.000 1.351 364 K CA 0.775 57.023 56.287 -0.066 0.000 1.325 364 K CB -0.775 31.688 32.500 -0.063 0.000 0.752 364 K HN 0.779 nan 8.250 nan 0.000 0.510 365 A N 6.881 129.654 122.820 -0.077 0.000 2.550 365 A HA -0.051 4.250 4.320 -0.033 0.000 0.273 365 A C -1.846 175.697 177.584 -0.069 0.000 1.017 365 A CA -0.535 51.452 52.037 -0.082 0.000 0.910 365 A CB -0.491 18.443 19.000 -0.111 0.000 0.891 365 A HN 0.468 nan 8.150 nan 0.000 0.507 366 P HA 0.092 nan 4.420 nan 0.000 0.268 366 P C -0.086 177.187 177.300 -0.044 0.000 1.204 366 P CA -0.056 63.018 63.100 -0.044 0.000 0.768 366 P CB 0.602 32.281 31.700 -0.035 0.000 0.842 367 E N 3.973 124.151 120.200 -0.035 0.000 2.413 367 E HA 0.091 4.422 4.350 -0.033 0.000 0.263 367 E C -1.660 174.925 176.600 -0.025 0.000 1.015 367 E CA -1.273 55.109 56.400 -0.028 0.000 0.916 367 E CB -0.548 29.141 29.700 -0.018 0.000 0.947 367 E HN 0.421 nan 8.360 nan 0.000 0.440 368 P HA 0.168 nan 4.420 nan 0.000 0.272 368 P C -2.404 174.887 177.300 -0.016 0.000 1.230 368 P CA -1.044 62.043 63.100 -0.022 0.000 0.788 368 P CB -0.315 31.382 31.700 -0.005 0.000 0.949 369 P HA 0.112 nan 4.420 nan 0.000 0.274 369 P C 0.948 178.247 177.300 -0.002 0.000 1.256 369 P CA -0.089 62.993 63.100 -0.029 0.000 0.795 369 P CB 0.781 32.442 31.700 -0.064 0.000 1.038 370 E N 0.803 121.011 120.200 0.013 0.000 2.118 370 E HA -0.138 4.193 4.350 -0.033 0.000 0.195 370 E C 2.071 178.724 176.600 0.090 0.000 0.992 370 E CA 1.910 58.342 56.400 0.053 0.000 0.804 370 E CB -1.058 28.669 29.700 0.045 0.000 0.741 370 E HN 0.718 nan 8.360 nan 0.000 0.458 371 G N 1.232 110.056 108.800 0.040 0.000 2.421 371 G HA2 -0.206 3.735 3.960 -0.033 0.000 0.216 371 G HA3 -0.206 3.735 3.960 -0.033 0.000 0.216 371 G C 1.863 176.882 174.900 0.198 0.000 1.171 371 G CA 0.922 46.070 45.100 0.080 0.000 0.775 371 G HN 0.185 nan 8.290 nan 0.000 0.543 372 V N 0.755 120.698 119.914 0.048 0.000 2.358 372 V HA -0.118 3.982 4.120 -0.033 0.000 0.246 372 V C 2.643 178.861 176.094 0.207 0.000 1.047 372 V CA 2.176 64.555 62.300 0.131 0.000 1.035 372 V CB -0.372 31.384 31.823 -0.113 0.000 0.658 372 V HN 0.421 nan 8.190 nan 0.000 0.452 373 K N -0.906 119.578 120.400 0.141 0.000 2.147 373 K HA -0.233 4.068 4.320 -0.033 0.000 0.205 373 K C 2.168 178.873 176.600 0.174 0.000 1.049 373 K CA 1.668 58.035 56.287 0.133 0.000 0.936 373 K CB -0.278 32.281 32.500 0.098 0.000 0.722 373 K HN 0.541 nan 8.250 nan 0.000 0.446 374 Y N 0.358 120.717 120.300 0.099 0.000 2.184 374 Y HA -0.174 4.357 4.550 -0.033 0.000 0.290 374 Y C 1.810 177.773 175.900 0.105 0.000 1.129 374 Y CA 1.287 59.445 58.100 0.097 0.000 1.144 374 Y CB -0.108 38.404 38.460 0.086 0.000 0.995 374 Y HN -0.180 nan 8.280 nan 0.000 0.513 375 V N 0.397 120.525 119.914 0.357 0.000 2.407 375 V HA -0.307 3.794 4.120 -0.033 0.000 0.248 375 V C 2.460 178.619 176.094 0.107 0.000 1.055 375 V CA 1.838 64.265 62.300 0.212 0.000 1.049 375 V CB -0.705 31.212 31.823 0.156 0.000 0.662 375 V HN 0.468 nan 8.190 nan 0.000 0.455 376 L N 0.203 121.507 121.223 0.134 0.000 2.093 376 L HA -0.192 4.128 4.340 -0.033 0.000 0.208 376 L C 2.482 179.408 176.870 0.094 0.000 1.085 376 L CA 1.814 56.717 54.840 0.106 0.000 0.755 376 L CB -0.543 41.587 42.059 0.117 0.000 0.904 376 L HN 0.525 nan 8.230 nan 0.000 0.435 377 N N -0.407 118.328 118.700 0.058 0.000 2.084 377 N HA -0.216 4.505 4.740 -0.033 0.000 0.190 377 N C 1.573 177.106 175.510 0.038 0.000 1.030 377 N CA 1.134 54.204 53.050 0.034 0.000 0.849 377 N CB 0.201 38.651 38.487 -0.062 0.000 1.012 377 N HN 0.299 nan 8.380 nan 0.000 0.423 378 E N 0.355 120.538 120.200 -0.028 0.000 2.031 378 E HA -0.114 4.216 4.350 -0.033 0.000 0.193 378 E C 2.025 178.716 176.600 0.151 0.000 0.994 378 E CA 1.218 57.637 56.400 0.032 0.000 0.800 378 E CB -0.893 28.811 29.700 0.007 0.000 0.752 378 E HN 0.421 nan 8.360 nan 0.000 0.447 379 T N 1.078 115.707 114.554 0.125 0.000 2.635 379 T HA -0.172 4.159 4.350 -0.033 0.000 0.267 379 T C 2.066 176.898 174.700 0.219 0.000 1.040 379 T CA 2.544 64.736 62.100 0.154 0.000 1.156 379 T CB -0.655 68.254 68.868 0.068 0.000 0.863 379 T HN 0.437 nan 8.240 nan 0.000 0.430 380 T N 0.356 115.021 114.554 0.185 0.000 2.962 380 T HA -0.033 4.297 4.350 -0.033 0.000 0.270 380 T C 1.843 176.797 174.700 0.424 0.000 1.088 380 T CA 0.893 63.150 62.100 0.262 0.000 1.127 380 T CB -0.291 68.782 68.868 0.343 0.000 0.883 380 T HN 0.143 nan 8.240 nan 0.000 0.493 381 N N 0.295 119.205 118.700 0.349 0.000 2.207 381 N HA 0.049 4.770 4.740 -0.033 0.000 0.182 381 N C 1.117 176.843 175.510 0.361 0.000 1.020 381 N CA 0.922 54.178 53.050 0.343 0.000 0.858 381 N CB -0.557 38.068 38.487 0.230 0.000 0.991 381 N HN 0.665 nan 8.380 nan 0.000 0.427 382 W N 0.871 122.280 121.300 0.181 0.000 2.388 382 W HA -0.013 4.628 4.660 -0.033 0.000 0.294 382 W C 1.882 178.528 176.519 0.210 0.000 1.212 382 W CA 0.568 58.012 57.345 0.165 0.000 1.271 382 W CB -0.342 29.179 29.460 0.101 0.000 1.126 382 W HN 0.029 nan 8.180 nan 0.000 0.535 383 L N -0.342 121.104 121.223 0.372 0.000 2.027 383 L HA -0.084 4.236 4.340 -0.033 0.000 0.206 383 L C 2.016 179.025 176.870 0.231 0.000 1.074 383 L CA 2.024 56.975 54.840 0.185 0.000 0.745 383 L CB -1.342 40.724 42.059 0.013 0.000 0.898 383 L HN 0.151 nan 8.230 nan 0.000 0.433 384 W N -0.811 120.723 121.300 0.389 0.000 2.358 384 W HA -0.219 4.422 4.660 -0.032 0.000 0.303 384 W C 2.490 179.103 176.519 0.157 0.000 1.208 384 W CA 1.096 58.641 57.345 0.334 0.000 1.274 384 W CB -0.251 29.360 29.460 0.251 0.000 1.138 384 W HN 0.267 nan 8.180 nan 0.000 0.515 385 A N -0.437 122.550 122.820 0.278 0.000 1.902 385 A HA -0.245 4.055 4.320 -0.033 0.000 0.217 385 A C 1.685 179.234 177.584 -0.058 0.000 1.181 385 A CA 1.534 53.617 52.037 0.076 0.000 0.623 385 A CB -1.229 17.765 19.000 -0.011 0.000 0.818 385 A HN 0.386 nan 8.150 nan 0.000 0.443 386 F N 0.580 120.282 119.950 -0.413 0.000 2.146 386 F HA -0.070 4.438 4.527 -0.033 0.000 0.298 386 F C 1.824 177.489 175.800 -0.225 0.000 1.096 386 F CA 1.456 59.157 58.000 -0.500 0.000 1.275 386 F CB -0.188 38.227 39.000 -0.975 0.000 1.008 386 F HN 0.123 nan 8.300 nan 0.000 0.480 387 L N -0.287 120.892 121.223 -0.072 0.000 2.201 387 L HA -0.075 4.246 4.340 -0.033 0.000 0.212 387 L C 2.314 178.994 176.870 -0.318 0.000 1.105 387 L CA 1.019 55.801 54.840 -0.097 0.000 0.775 387 L CB -0.934 41.340 42.059 0.358 0.000 0.913 387 L HN 0.236 nan 8.230 nan 0.000 0.440 388 A N 0.269 123.047 122.820 -0.070 0.000 2.345 388 A HA 0.021 4.321 4.320 -0.033 0.000 0.225 388 A C 2.144 179.623 177.584 -0.176 0.000 1.243 388 A CA -0.215 51.764 52.037 -0.095 0.000 0.875 388 A CB -0.355 18.801 19.000 0.260 0.000 0.929 388 A HN 0.432 nan 8.150 nan 0.000 0.502 389 R N 0.034 120.377 120.500 -0.262 0.000 2.105 389 R HA -0.118 4.202 4.340 -0.033 0.000 0.239 389 R C 1.193 177.368 176.300 -0.208 0.000 1.135 389 R CA 1.945 57.910 56.100 -0.225 0.000 0.967 389 R CB -0.250 29.881 30.300 -0.281 0.000 0.861 389 R HN 0.551 nan 8.270 nan 0.000 0.442 390 E N 0.343 120.375 120.200 -0.280 0.000 2.357 390 E HA 0.128 4.458 4.350 -0.033 0.000 0.202 390 E C -0.116 176.360 176.600 -0.206 0.000 0.855 390 E CA -0.207 56.061 56.400 -0.219 0.000 1.048 390 E CB 0.521 30.085 29.700 -0.227 0.000 1.037 390 E HN 0.187 nan 8.360 nan 0.000 0.499 391 K N 1.565 121.765 120.400 -0.333 0.000 2.258 391 K HA 0.249 4.549 4.320 -0.033 0.000 0.264 391 K C 0.097 176.680 176.600 -0.027 0.000 1.007 391 K CA -0.136 56.002 56.287 -0.248 0.000 0.941 391 K CB 1.010 33.183 32.500 -0.545 0.000 0.966 391 K HN -0.123 nan 8.250 nan 0.000 0.480 392 R N 2.532 123.107 120.500 0.124 0.000 2.387 392 R HA 0.310 4.630 4.340 -0.033 0.000 0.314 392 R C -2.560 173.837 176.300 0.162 0.000 0.958 392 R CA -2.024 54.161 56.100 0.142 0.000 0.846 392 R CB 1.357 31.677 30.300 0.033 0.000 1.147 392 R HN 0.434 nan 8.270 nan 0.000 0.447 393 P HA 0.104 nan 4.420 nan 0.000 0.269 393 P C -0.967 176.084 177.300 -0.416 0.000 1.209 393 P CA -0.008 62.672 63.100 -0.701 0.000 0.776 393 P CB 0.589 31.665 31.700 -1.040 0.000 0.876 394 R N 0.912 121.127 120.500 -0.475 0.000 2.781 394 R HA 0.686 5.007 4.340 -0.033 0.000 0.269 394 R C -0.984 175.037 176.300 -0.465 0.000 1.025 394 R CA -0.993 54.922 56.100 -0.309 0.000 0.914 394 R CB 1.098 31.310 30.300 -0.146 0.000 1.236 394 R HN 0.218 nan 8.270 nan 0.000 0.465 395 M N 1.171 120.425 119.600 -0.577 0.000 2.277 395 M HA 0.364 4.824 4.480 -0.033 0.000 0.350 395 M C -0.749 175.375 176.300 -0.294 0.000 1.180 395 M CA -0.695 54.272 55.300 -0.556 0.000 1.103 395 M CB 1.777 34.051 32.600 -0.542 0.000 1.577 395 M HN 0.584 nan 8.290 nan 0.000 0.459 396 C N 1.952 121.062 119.300 -0.317 0.000 2.388 396 C HA 0.459 4.900 4.460 -0.033 0.000 0.362 396 C C 0.891 175.866 174.990 -0.024 0.000 1.266 396 C CA -0.846 58.017 59.018 -0.258 0.000 2.028 396 C CB 0.504 27.777 27.740 -0.779 0.000 2.440 396 C HN 0.939 nan 8.230 nan 0.000 0.547 397 S N 3.316 119.096 115.700 0.134 0.000 2.645 397 S HA 0.275 4.725 4.470 -0.033 0.000 0.266 397 S C 0.959 175.826 174.600 0.444 0.000 1.258 397 S CA -0.508 57.818 58.200 0.211 0.000 0.990 397 S CB 0.560 63.824 63.200 0.106 0.000 0.967 397 S HN 0.757 nan 8.310 nan 0.000 0.556 398 R N 0.429 121.082 120.500 0.255 0.000 2.189 398 R HA -0.024 4.296 4.340 -0.033 0.000 0.218 398 R C 1.630 178.015 176.300 0.142 0.000 1.074 398 R CA 1.262 57.404 56.100 0.069 0.000 0.991 398 R CB -0.382 29.470 30.300 -0.747 0.000 0.883 398 R HN 0.686 nan 8.270 nan 0.000 0.457 399 E N 1.181 121.446 120.200 0.108 0.000 2.072 399 E HA -0.122 4.209 4.350 -0.033 0.000 0.190 399 E C 1.662 178.381 176.600 0.198 0.000 0.982 399 E CA 0.963 57.425 56.400 0.104 0.000 0.803 399 E CB 0.014 29.742 29.700 0.048 0.000 0.755 399 E HN 0.363 nan 8.360 nan 0.000 0.453 400 E N -0.231 120.145 120.200 0.293 0.000 2.106 400 E HA -0.162 4.168 4.350 -0.033 0.000 0.192 400 E C 1.687 178.485 176.600 0.330 0.000 0.984 400 E CA 0.637 57.245 56.400 0.346 0.000 0.806 400 E CB -0.158 29.836 29.700 0.489 0.000 0.750 400 E HN 0.185 nan 8.360 nan 0.000 0.458 401 F N 1.398 121.524 119.950 0.293 0.000 2.051 401 F HA -0.194 4.313 4.527 -0.032 0.000 0.296 401 F C 2.055 177.891 175.800 0.059 0.000 1.122 401 F CA 1.418 59.446 58.000 0.046 0.000 1.201 401 F CB -0.208 39.072 39.000 0.466 0.000 0.978 401 F HN -0.104 nan 8.300 nan 0.000 0.472 402 I N 0.062 120.812 120.570 0.301 0.000 2.248 402 I HA -0.341 3.809 4.170 -0.033 0.000 0.248 402 I C 2.697 178.833 176.117 0.032 0.000 1.107 402 I CA 1.578 62.978 61.300 0.165 0.000 1.373 402 I CB -0.530 37.597 38.000 0.213 0.000 1.055 402 I HN 0.134 nan 8.210 nan 0.000 0.418 403 R N 1.154 121.683 120.500 0.049 0.000 2.075 403 R HA -0.198 4.122 4.340 -0.033 0.000 0.232 403 R C 2.273 178.569 176.300 -0.008 0.000 1.126 403 R CA 1.522 57.642 56.100 0.034 0.000 0.963 403 R CB -0.062 30.276 30.300 0.063 0.000 0.858 403 R HN 0.179 nan 8.270 nan 0.000 0.435 404 K N -0.249 120.098 120.400 -0.087 0.000 2.288 404 K HA -0.020 4.281 4.320 -0.033 0.000 0.201 404 K C 1.647 178.154 176.600 -0.156 0.000 1.048 404 K CA 0.597 56.796 56.287 -0.148 0.000 0.956 404 K CB 0.283 32.606 32.500 -0.294 0.000 0.746 404 K HN 0.013 nan 8.250 nan 0.000 0.461 405 V N 1.259 121.056 119.914 -0.195 0.000 2.535 405 V HA -0.109 3.991 4.120 -0.033 0.000 0.246 405 V C 1.543 177.749 176.094 0.187 0.000 1.045 405 V CA 1.225 63.475 62.300 -0.085 0.000 1.058 405 V CB -0.280 31.387 31.823 -0.260 0.000 0.689 405 V HN 0.397 nan 8.190 nan 0.000 0.461 406 N N 0.221 118.975 118.700 0.090 0.000 2.571 406 N HA -0.037 4.683 4.740 -0.033 0.000 0.189 406 N C 1.094 176.772 175.510 0.280 0.000 1.154 406 N CA 1.142 54.257 53.050 0.108 0.000 0.907 406 N CB 0.352 38.859 38.487 0.034 0.000 0.977 406 N HN 0.692 nan 8.380 nan 0.000 0.449 407 S N -0.722 115.150 115.700 0.286 0.000 4.020 407 S HA 0.103 4.553 4.470 -0.033 0.000 0.201 407 S C 0.835 175.443 174.600 0.013 0.000 1.194 407 S CA 0.480 58.801 58.200 0.203 0.000 1.383 407 S CB 0.850 64.091 63.200 0.069 0.000 1.745 407 S HN 0.110 nan 8.310 nan 0.000 0.739 408 N N 2.629 121.280 118.700 -0.081 0.000 3.051 408 N HA -0.305 4.415 4.740 -0.033 0.000 0.175 408 N C 0.102 175.434 175.510 -0.295 0.000 0.172 408 N CA 3.072 56.026 53.050 -0.160 0.000 2.347 408 N CB -1.726 36.691 38.487 -0.117 0.000 1.133 408 N HN 1.345 nan 8.380 nan 0.000 0.422 417 E N 1.008 121.263 120.200 0.092 0.000 2.498 417 E HA 0.202 4.533 4.350 -0.033 0.000 0.203 417 E C 1.031 177.643 176.600 0.020 0.000 1.013 417 E CA 0.104 56.524 56.400 0.032 0.000 0.927 417 E CB 1.613 31.352 29.700 0.066 0.000 1.012 417 E HN 0.166 nan 8.360 nan 0.000 0.482 418 Q N -0.150 119.667 119.800 0.028 0.000 2.582 418 Q HA 0.256 4.577 4.340 -0.033 0.000 0.408 418 Q C -0.449 175.605 176.000 0.091 0.000 0.577 418 Q CA -0.537 55.288 55.803 0.036 0.000 0.966 418 Q CB 0.749 29.497 28.738 0.016 0.000 0.981 418 Q HN 0.049 nan 8.270 nan 0.000 0.423 419 N N 0.346 119.113 118.700 0.112 0.000 2.200 419 N HA 0.107 4.828 4.740 -0.033 0.000 0.224 419 N C 0.178 175.782 175.510 0.156 0.000 1.179 419 N CA 0.064 53.241 53.050 0.212 0.000 0.877 419 N CB 0.699 39.274 38.487 0.147 0.000 1.072 419 N HN 0.308 nan 8.380 nan 0.000 0.519 420 Q N -0.190 119.657 119.800 0.077 0.000 2.280 420 Q HA -0.023 4.298 4.340 -0.033 0.000 0.202 420 Q C 1.166 177.193 176.000 0.045 0.000 0.903 420 Q CA -0.075 55.704 55.803 -0.040 0.000 0.948 420 Q CB 0.041 28.663 28.738 -0.193 0.000 1.058 420 Q HN 0.495 nan 8.270 nan 0.000 0.493 421 W N 1.221 122.506 121.300 -0.025 0.000 2.611 421 W HA -0.136 4.505 4.660 -0.032 0.000 0.251 421 W C 1.148 177.692 176.519 0.042 0.000 1.265 421 W CA 0.862 58.231 57.345 0.040 0.000 1.295 421 W CB 0.210 29.678 29.460 0.014 0.000 1.129 421 W HN 0.073 nan 8.180 nan 0.000 0.630 422 R N -0.450 119.878 120.500 -0.286 0.000 2.246 422 R HA 0.155 4.475 4.340 -0.033 0.000 0.199 422 R C 2.051 178.233 176.300 -0.197 0.000 0.984 422 R CA 1.023 56.849 56.100 -0.457 0.000 1.015 422 R CB -0.816 29.276 30.300 -0.347 0.000 0.930 422 R HN 0.068 nan 8.270 nan 0.000 0.475 423 S N 0.989 116.644 115.700 -0.077 0.000 2.428 423 S HA 0.032 4.483 4.470 -0.033 0.000 0.230 423 S C 1.938 176.689 174.600 0.251 0.000 1.014 423 S CA 0.970 59.183 58.200 0.021 0.000 0.957 423 S CB 0.040 63.141 63.200 -0.165 0.000 0.784 423 S HN 0.549 nan 8.310 nan 0.000 0.499 424 A N 1.204 124.187 122.820 0.272 0.000 1.930 424 A HA 0.101 4.401 4.320 -0.033 0.000 0.215 424 A C 2.059 179.632 177.584 -0.017 0.000 1.176 424 A CA 0.628 52.816 52.037 0.253 0.000 0.632 424 A CB -0.349 18.851 19.000 0.334 0.000 0.819 424 A HN 0.369 nan 8.150 nan 0.000 0.445 425 R N -0.635 119.784 120.500 -0.136 0.000 2.193 425 R HA -0.117 4.203 4.340 -0.033 0.000 0.229 425 R C 1.974 178.224 176.300 -0.083 0.000 1.110 425 R CA 1.508 57.501 56.100 -0.178 0.000 0.988 425 R CB -0.070 30.007 30.300 -0.371 0.000 0.871 425 R HN 0.731 nan 8.270 nan 0.000 0.458 426 E N -0.323 119.851 120.200 -0.044 0.000 2.075 426 E HA -0.009 4.322 4.350 -0.033 0.000 0.190 426 E C 1.815 178.447 176.600 0.054 0.000 0.969 426 E CA 0.568 56.977 56.400 0.014 0.000 0.815 426 E CB 0.086 29.804 29.700 0.029 0.000 0.776 426 E HN 0.289 nan 8.360 nan 0.000 0.457 427 A N 0.888 123.743 122.820 0.057 0.000 2.024 427 A HA -0.166 4.134 4.320 -0.033 0.000 0.220 427 A C 2.334 179.690 177.584 -0.381 0.000 1.164 427 A CA 1.649 53.655 52.037 -0.053 0.000 0.643 427 A CB -0.804 18.126 19.000 -0.115 0.000 0.806 427 A HN 0.292 nan 8.150 nan 0.000 0.451 428 V N -3.005 116.774 119.914 -0.224 0.000 2.667 428 V HA -0.065 4.036 4.120 -0.033 0.000 0.252 428 V C 1.642 177.980 176.094 0.406 0.000 1.065 428 V CA 1.854 64.223 62.300 0.115 0.000 1.083 428 V CB -0.641 31.331 31.823 0.249 0.000 0.692 428 V HN 0.366 nan 8.190 nan 0.000 0.468 429 E N 0.777 121.090 120.200 0.190 0.000 2.481 429 E HA 0.100 4.430 4.350 -0.033 0.000 0.195 429 E C 0.242 176.947 176.600 0.175 0.000 1.047 429 E CA 0.367 56.870 56.400 0.172 0.000 0.867 429 E CB -0.224 29.530 29.700 0.091 0.000 0.858 429 E HN 0.760 nan 8.360 nan 0.000 0.513 430 D N 0.481 120.986 120.400 0.176 0.000 2.280 430 D HA 0.108 4.729 4.640 -0.033 0.000 0.243 430 D C -1.896 174.517 176.300 0.188 0.000 1.129 430 D CA -2.429 51.670 54.000 0.165 0.000 0.848 430 D CB 1.649 42.572 40.800 0.204 0.000 1.107 430 D HN -0.236 nan 8.370 nan 0.000 0.471 431 P HA -0.048 nan 4.420 nan 0.000 0.226 431 P C 0.751 178.102 177.300 0.086 0.000 1.153 431 P CA 0.906 64.098 63.100 0.154 0.000 0.777 431 P CB 0.297 32.051 31.700 0.089 0.000 0.794 432 K N -1.829 118.614 120.400 0.073 0.000 2.296 432 K HA -0.044 4.256 4.320 -0.033 0.000 0.200 432 K C 1.759 178.272 176.600 -0.145 0.000 1.048 432 K CA 0.749 57.075 56.287 0.065 0.000 0.966 432 K CB -0.400 32.240 32.500 0.233 0.000 0.754 432 K HN 0.163 nan 8.250 nan 0.000 0.466 433 F N -0.215 119.280 119.950 -0.758 0.000 2.187 433 F HA -0.094 4.413 4.527 -0.033 0.000 0.295 433 F C 1.313 176.614 175.800 -0.831 0.000 1.091 433 F CA 1.098 58.209 58.000 -1.482 0.000 1.308 433 F CB -0.300 37.460 39.000 -2.066 0.000 1.030 433 F HN -0.020 nan 8.300 nan 0.000 0.487 434 W N 1.241 122.130 121.300 -0.685 0.000 2.519 434 W HA 0.019 4.659 4.660 -0.033 0.000 0.266 434 W C 2.245 178.492 176.519 -0.453 0.000 1.253 434 W CA 0.868 57.803 57.345 -0.683 0.000 1.274 434 W CB -0.344 28.870 29.460 -0.411 0.000 1.114 434 W HN 0.065 nan 8.180 nan 0.000 0.596 435 E N -0.050 120.069 120.200 -0.134 0.000 2.106 435 E HA -0.227 4.103 4.350 -0.033 0.000 0.192 435 E C 2.032 178.549 176.600 -0.139 0.000 0.984 435 E CA 1.270 57.615 56.400 -0.092 0.000 0.806 435 E CB -0.293 29.381 29.700 -0.043 0.000 0.750 435 E HN 0.294 nan 8.360 nan 0.000 0.458 436 M N 0.083 119.555 119.600 -0.214 0.000 2.123 436 M HA -0.138 4.322 4.480 -0.033 0.000 0.263 436 M C 2.228 178.377 176.300 -0.252 0.000 1.069 436 M CA 0.969 56.154 55.300 -0.191 0.000 1.133 436 M CB 0.158 32.661 32.600 -0.163 0.000 1.356 436 M HN -0.055 nan 8.290 nan 0.000 0.415 437 V N 0.517 120.172 119.914 -0.432 0.000 2.392 437 V HA -0.316 3.784 4.120 -0.033 0.000 0.249 437 V C 1.691 177.673 176.094 -0.187 0.000 1.059 437 V CA 1.915 63.991 62.300 -0.374 0.000 1.051 437 V CB -0.844 30.624 31.823 -0.592 0.000 0.658 437 V HN 0.452 nan 8.190 nan 0.000 0.455 438 D N -0.451 119.859 120.400 -0.150 0.000 2.144 438 D HA -0.175 4.446 4.640 -0.033 0.000 0.200 438 D C 2.170 178.413 176.300 -0.095 0.000 0.978 438 D CA 1.512 55.457 54.000 -0.092 0.000 0.833 438 D CB -0.044 40.711 40.800 -0.074 0.000 0.961 438 D HN 0.650 nan 8.370 nan 0.000 0.470 439 E N 0.591 120.730 120.200 -0.102 0.000 2.107 439 E HA -0.185 4.146 4.350 -0.033 0.000 0.191 439 E C 1.817 178.364 176.600 -0.089 0.000 0.982 439 E CA 1.017 57.370 56.400 -0.079 0.000 0.809 439 E CB 0.129 29.789 29.700 -0.068 0.000 0.756 439 E HN 0.010 nan 8.360 nan 0.000 0.459 440 E N 0.479 120.596 120.200 -0.139 0.000 2.158 440 E HA -0.077 4.253 4.350 -0.033 0.000 0.191 440 E C 2.045 178.382 176.600 -0.438 0.000 0.982 440 E CA 0.784 57.055 56.400 -0.215 0.000 0.823 440 E CB -0.067 29.510 29.700 -0.204 0.000 0.766 440 E HN 0.163 nan 8.360 nan 0.000 0.468 441 R N 0.095 120.400 120.500 -0.325 0.000 2.075 441 R HA -0.127 4.193 4.340 -0.033 0.000 0.232 441 R C 1.677 177.882 176.300 -0.159 0.000 1.126 441 R CA 1.500 57.431 56.100 -0.282 0.000 0.963 441 R CB -0.018 30.225 30.300 -0.095 0.000 0.858 441 R HN 0.043 nan 8.270 nan 0.000 0.435 442 E N 0.214 120.349 120.200 -0.108 0.000 2.150 442 E HA -0.071 4.259 4.350 -0.033 0.000 0.193 442 E C 1.632 178.210 176.600 -0.037 0.000 0.985 442 E CA 1.308 57.675 56.400 -0.054 0.000 0.814 442 E CB -0.161 29.514 29.700 -0.043 0.000 0.752 442 E HN 0.429 nan 8.360 nan 0.000 0.466 443 A N -0.333 122.453 122.820 -0.058 0.000 1.933 443 A HA -0.198 4.103 4.320 -0.033 0.000 0.218 443 A C 1.794 179.386 177.584 0.014 0.000 1.175 443 A CA 1.684 53.713 52.037 -0.014 0.000 0.628 443 A CB -0.733 18.282 19.000 0.025 0.000 0.814 443 A HN 0.417 nan 8.150 nan 0.000 0.444 444 H N -1.036 117.996 119.070 -0.063 0.000 2.436 444 H HA 0.138 4.674 4.556 -0.033 0.000 0.294 444 H C 1.624 176.911 175.328 -0.069 0.000 1.048 444 H CA 0.639 56.639 56.048 -0.081 0.000 1.353 444 H CB -0.023 29.692 29.762 -0.078 0.000 1.414 444 H HN 0.344 nan 8.280 nan 0.000 0.536 445 L N 1.242 122.520 121.223 0.090 0.000 2.549 445 L HA -0.137 4.184 4.340 -0.033 0.000 0.230 445 L C 2.022 178.895 176.870 0.005 0.000 1.162 445 L CA 0.946 55.804 54.840 0.030 0.000 0.834 445 L CB -0.038 42.026 42.059 0.009 0.000 0.947 445 L HN 0.360 nan 8.230 nan 0.000 0.452 446 R N -0.849 119.655 120.500 0.007 0.000 2.508 446 R HA 0.274 4.594 4.340 -0.033 0.000 0.300 446 R C 0.829 177.116 176.300 -0.023 0.000 0.970 446 R CA 0.510 56.605 56.100 -0.010 0.000 1.102 446 R CB 0.403 30.699 30.300 -0.007 0.000 1.246 446 R HN -0.002 nan 8.270 nan 0.000 0.539 447 G N 0.866 109.651 108.800 -0.026 0.000 2.248 447 G HA2 -0.255 3.685 3.960 -0.033 0.000 0.263 447 G HA3 -0.255 3.685 3.960 -0.033 0.000 0.263 447 G C -0.715 174.140 174.900 -0.074 0.000 1.082 447 G CA 0.183 45.249 45.100 -0.056 0.000 0.863 447 G HN 0.490 nan 8.290 nan 0.000 0.495 448 E N -1.264 118.892 120.200 -0.073 0.000 2.331 448 E HA 0.547 4.878 4.350 -0.033 0.000 0.275 448 E C -0.813 175.686 176.600 -0.168 0.000 0.895 448 E CA -0.730 55.572 56.400 -0.164 0.000 0.753 448 E CB 2.517 32.082 29.700 -0.226 0.000 1.216 448 E HN 0.295 nan 8.360 nan 0.000 0.434 449 C N 2.638 121.790 119.300 -0.245 0.000 2.455 449 C HA 0.473 4.913 4.460 -0.033 0.000 0.320 449 C C 0.394 175.226 174.990 -0.264 0.000 1.226 449 C CA -0.237 58.699 59.018 -0.136 0.000 1.569 449 C CB 0.116 27.838 27.740 -0.031 0.000 2.200 449 C HN 0.870 nan 8.230 nan 0.000 0.491 450 H N 1.442 120.540 119.070 0.047 0.000 2.545 450 H HA 0.140 4.676 4.556 -0.033 0.000 0.251 450 H C 1.746 177.092 175.328 0.029 0.000 0.934 450 H CA 1.588 57.644 56.048 0.014 0.000 1.116 450 H CB 0.252 30.005 29.762 -0.014 0.000 1.439 450 H HN 0.709 nan 8.280 nan 0.000 0.445 451 T N -1.511 113.143 114.554 0.168 0.000 3.182 451 T HA 0.249 4.579 4.350 -0.033 0.000 0.277 451 T C 0.205 174.997 174.700 0.153 0.000 1.013 451 T CA -0.335 61.848 62.100 0.138 0.000 0.900 451 T CB -1.116 67.814 68.868 0.105 0.000 1.098 451 T HN 0.064 nan 8.240 nan 0.000 0.543 452 C N 3.232 122.625 119.300 0.155 0.000 2.239 452 C HA 0.783 5.224 4.460 -0.033 0.000 0.325 452 C C 0.259 175.375 174.990 0.211 0.000 1.231 452 C CA -1.483 57.639 59.018 0.172 0.000 1.652 452 C CB -1.499 26.332 27.740 0.151 0.000 2.284 452 C HN 0.810 nan 8.230 nan 0.000 0.499 453 I N 1.998 122.739 120.570 0.286 0.000 2.534 453 I HA 0.320 4.471 4.170 -0.033 0.000 0.286 453 I C 0.189 176.621 176.117 0.525 0.000 1.094 453 I CA -0.696 60.817 61.300 0.355 0.000 1.055 453 I CB 1.009 39.199 38.000 0.317 0.000 1.225 453 I HN 0.644 nan 8.210 nan 0.000 0.435 454 Y N 4.746 125.251 120.300 0.341 0.000 2.665 454 Y HA 0.322 4.853 4.550 -0.033 0.000 0.320 454 Y C -0.411 175.840 175.900 0.584 0.000 1.204 454 Y CA -0.413 57.961 58.100 0.456 0.000 1.315 454 Y CB -0.902 37.762 38.460 0.339 0.000 1.033 454 Y HN 0.565 nan 8.280 nan 0.000 0.509 455 N N 1.573 120.585 118.700 0.518 0.000 2.405 455 N HA 0.393 5.113 4.740 -0.033 0.000 0.299 455 N C -1.561 174.033 175.510 0.141 0.000 1.075 455 N CA -0.507 52.660 53.050 0.196 0.000 0.884 455 N CB 1.623 40.224 38.487 0.190 0.000 1.194 455 N HN 0.341 nan 8.380 nan 0.000 0.491 456 M N 3.750 123.269 119.600 -0.136 0.000 2.151 456 M HA 0.352 4.812 4.480 -0.033 0.000 0.290 456 M C -0.970 175.261 176.300 -0.115 0.000 0.965 456 M CA -0.015 55.189 55.300 -0.159 0.000 0.930 456 M CB 1.655 33.926 32.600 -0.549 0.000 1.560 456 M HN 0.732 nan 8.290 nan 0.000 0.438 457 M N 2.211 121.802 119.600 -0.014 0.000 2.331 457 M HA 0.539 4.999 4.480 -0.033 0.000 0.187 457 M C 1.028 177.331 176.300 0.005 0.000 1.915 457 M CA 0.651 55.936 55.300 -0.025 0.000 1.082 457 M CB 0.189 32.778 32.600 -0.018 0.000 1.445 457 M HN 0.814 nan 8.290 nan 0.000 0.602 472 G N 1.813 110.608 108.800 -0.008 0.000 2.855 472 G HA2 0.014 3.954 3.960 -0.033 0.000 0.248 472 G HA3 0.014 3.954 3.960 -0.033 0.000 0.248 472 G C 0.016 174.900 174.900 -0.027 0.000 1.243 472 G CA 0.310 45.402 45.100 -0.013 0.000 0.881 472 G HN 0.183 nan 8.290 nan 0.000 0.598 473 S N -1.559 114.122 115.700 -0.033 0.000 2.509 473 S HA 0.572 5.022 4.470 -0.033 0.000 0.297 473 S C 0.555 175.108 174.600 -0.078 0.000 1.118 473 S CA -0.790 57.377 58.200 -0.055 0.000 1.074 473 S CB 1.854 65.030 63.200 -0.041 0.000 1.038 473 S HN 0.834 nan 8.310 nan 0.000 0.498 474 R N 1.535 121.931 120.500 -0.173 0.000 2.572 474 R HA 0.486 4.806 4.340 -0.033 0.000 0.370 474 R C 1.504 177.673 176.300 -0.219 0.000 1.005 474 R CA 0.035 56.014 56.100 -0.202 0.000 1.146 474 R CB -0.436 29.647 30.300 -0.362 0.000 1.390 474 R HN 0.576 nan 8.270 nan 0.000 0.553 475 A N 2.207 124.956 122.820 -0.117 0.000 1.869 475 A HA -0.225 4.076 4.320 -0.033 0.000 0.218 475 A C 1.961 179.641 177.584 0.160 0.000 1.203 475 A CA 1.770 53.833 52.037 0.042 0.000 0.638 475 A CB -0.475 18.553 19.000 0.047 0.000 0.831 475 A HN 0.246 nan 8.150 nan 0.000 0.450 476 I N -1.442 119.229 120.570 0.168 0.000 2.300 476 I HA -0.301 3.849 4.170 -0.033 0.000 0.252 476 I C 2.332 178.673 176.117 0.372 0.000 1.119 476 I CA 1.694 63.148 61.300 0.256 0.000 1.384 476 I CB -0.376 37.782 38.000 0.264 0.000 1.062 476 I HN 0.749 nan 8.210 nan 0.000 0.426 477 W N 0.367 121.751 121.300 0.141 0.000 2.443 477 W HA -0.148 4.493 4.660 -0.033 0.000 0.296 477 W C 2.126 178.875 176.519 0.385 0.000 1.202 477 W CA 0.658 58.122 57.345 0.199 0.000 1.312 477 W CB -0.391 29.098 29.460 0.049 0.000 1.120 477 W HN 0.042 nan 8.180 nan 0.000 0.536 478 F N 0.894 120.839 119.950 -0.007 0.000 2.333 478 F HA -0.255 4.253 4.527 -0.033 0.000 0.300 478 F C 2.365 178.197 175.800 0.054 0.000 1.083 478 F CA 0.811 58.794 58.000 -0.029 0.000 1.395 478 F CB -0.023 39.056 39.000 0.132 0.000 1.056 478 F HN -0.109 nan 8.300 nan 0.000 0.529 479 M N -1.756 118.007 119.600 0.273 0.000 2.299 479 M HA -0.150 4.311 4.480 -0.033 0.000 0.264 479 M C 2.033 178.458 176.300 0.207 0.000 1.095 479 M CA 1.343 56.764 55.300 0.202 0.000 1.165 479 M CB -0.765 31.960 32.600 0.209 0.000 1.349 479 M HN 0.259 nan 8.290 nan 0.000 0.446 480 W N 1.668 123.040 121.300 0.120 0.000 2.338 480 W HA -0.230 4.411 4.660 -0.033 0.000 0.304 480 W C 1.936 178.495 176.519 0.066 0.000 1.212 480 W CA 1.376 58.807 57.345 0.143 0.000 1.264 480 W CB -0.222 29.376 29.460 0.229 0.000 1.142 480 W HN 0.098 nan 8.180 nan 0.000 0.512 481 L N 1.132 122.338 121.223 -0.028 0.000 2.109 481 L HA 0.132 4.452 4.340 -0.033 0.000 0.207 481 L C 2.507 179.361 176.870 -0.026 0.000 1.086 481 L CA 2.484 57.179 54.840 -0.242 0.000 0.760 481 L CB -1.454 40.238 42.059 -0.611 0.000 0.910 481 L HN 0.108 nan 8.230 nan 0.000 0.437 482 G N -0.974 107.876 108.800 0.083 0.000 2.446 482 G HA2 -0.295 3.645 3.960 -0.033 0.000 0.217 482 G HA3 -0.295 3.645 3.960 -0.033 0.000 0.217 482 G C 1.615 176.508 174.900 -0.012 0.000 1.168 482 G CA 0.812 45.899 45.100 -0.021 0.000 0.771 482 G HN 0.587 nan 8.290 nan 0.000 0.551 483 A N 0.225 123.028 122.820 -0.029 0.000 1.972 483 A HA -0.006 4.295 4.320 -0.033 0.000 0.219 483 A C 2.439 179.996 177.584 -0.046 0.000 1.169 483 A CA 1.885 53.914 52.037 -0.013 0.000 0.635 483 A CB -0.332 18.667 19.000 -0.001 0.000 0.810 483 A HN 0.219 nan 8.150 nan 0.000 0.446 484 R N -1.276 119.137 120.500 -0.144 0.000 2.115 484 R HA -0.028 4.292 4.340 -0.033 0.000 0.230 484 R C 1.698 178.108 176.300 0.182 0.000 1.111 484 R CA 1.235 57.294 56.100 -0.068 0.000 0.976 484 R CB -1.121 29.025 30.300 -0.257 0.000 0.870 484 R HN 0.643 nan 8.270 nan 0.000 0.445 485 F N 0.377 120.282 119.950 -0.075 0.000 2.098 485 F HA -0.022 4.485 4.527 -0.033 0.000 0.294 485 F C 1.739 177.511 175.800 -0.047 0.000 1.107 485 F CA 1.148 58.930 58.000 -0.363 0.000 1.234 485 F CB -0.436 37.963 39.000 -1.002 0.000 1.002 485 F HN -0.093 nan 8.300 nan 0.000 0.472 486 L N 0.544 121.619 121.223 -0.247 0.000 2.081 486 L HA -0.258 4.062 4.340 -0.033 0.000 0.212 486 L C 2.600 179.338 176.870 -0.219 0.000 1.080 486 L CA 2.132 56.819 54.840 -0.255 0.000 0.754 486 L CB -0.894 41.203 42.059 0.063 0.000 0.893 486 L HN 0.382 nan 8.230 nan 0.000 0.433 487 E N 0.077 120.220 120.200 -0.094 0.000 2.107 487 E HA -0.248 4.082 4.350 -0.033 0.000 0.191 487 E C 2.206 178.802 176.600 -0.006 0.000 0.982 487 E CA 0.953 57.328 56.400 -0.041 0.000 0.809 487 E CB -0.113 29.626 29.700 0.064 0.000 0.756 487 E HN 0.409 nan 8.360 nan 0.000 0.459 488 F N 2.206 122.090 119.950 -0.111 0.000 2.146 488 F HA -0.109 4.399 4.527 -0.033 0.000 0.298 488 F C 2.220 177.936 175.800 -0.141 0.000 1.096 488 F CA 1.969 59.947 58.000 -0.036 0.000 1.275 488 F CB -0.258 38.856 39.000 0.190 0.000 1.008 488 F HN 0.060 nan 8.300 nan 0.000 0.480 489 E N 0.275 120.197 120.200 -0.463 0.000 2.077 489 E HA -0.210 4.120 4.350 -0.033 0.000 0.193 489 E C 2.183 178.582 176.600 -0.336 0.000 0.989 489 E CA 1.238 57.306 56.400 -0.553 0.000 0.800 489 E CB -0.349 28.879 29.700 -0.785 0.000 0.746 489 E HN 0.466 nan 8.360 nan 0.000 0.452 490 A N 0.421 123.116 122.820 -0.208 0.000 1.898 490 A HA 0.041 4.341 4.320 -0.033 0.000 0.214 490 A C 1.913 179.574 177.584 0.127 0.000 1.183 490 A CA 0.813 52.845 52.037 -0.009 0.000 0.622 490 A CB 0.003 18.970 19.000 -0.055 0.000 0.824 490 A HN 0.321 nan 8.150 nan 0.000 0.444 491 L N -1.430 119.773 121.223 -0.033 0.000 3.016 491 L HA 0.228 4.549 4.340 -0.033 0.000 0.267 491 L C 2.084 178.769 176.870 -0.308 0.000 1.182 491 L CA 0.292 55.058 54.840 -0.122 0.000 0.997 491 L CB 0.441 42.419 42.059 -0.136 0.000 1.354 491 L HN 0.403 nan 8.230 nan 0.000 0.569 492 G N 0.950 109.588 108.800 -0.270 0.000 2.470 492 G HA2 -0.295 3.645 3.960 -0.033 0.000 0.220 492 G HA3 -0.295 3.645 3.960 -0.033 0.000 0.220 492 G C 1.376 176.092 174.900 -0.305 0.000 1.121 492 G CA 0.709 45.598 45.100 -0.352 0.000 0.766 492 G HN 0.502 nan 8.290 nan 0.000 0.553 493 F N 0.617 120.400 119.950 -0.278 0.000 2.202 493 F HA 0.045 4.553 4.527 -0.032 0.000 0.301 493 F C 2.116 177.790 175.800 -0.211 0.000 1.082 493 F CA 0.585 58.459 58.000 -0.210 0.000 1.313 493 F CB -0.533 38.347 39.000 -0.200 0.000 1.024 493 F HN 0.060 nan 8.300 nan 0.000 0.495 494 L N 0.708 121.214 121.223 -1.195 0.000 2.013 494 L HA -0.247 4.073 4.340 -0.033 0.000 0.212 494 L C 2.358 179.146 176.870 -0.136 0.000 1.073 494 L CA 1.735 56.096 54.840 -0.799 0.000 0.753 494 L CB -0.741 40.893 42.059 -0.709 0.000 0.890 494 L HN 0.309 nan 8.230 nan 0.000 0.432 495 N N -1.158 117.469 118.700 -0.122 0.000 2.368 495 N HA -0.083 4.637 4.740 -0.033 0.000 0.178 495 N C 1.722 177.149 175.510 -0.138 0.000 1.021 495 N CA 0.605 53.643 53.050 -0.020 0.000 0.875 495 N CB 0.019 38.524 38.487 0.030 0.000 1.020 495 N HN 0.245 nan 8.380 nan 0.000 0.433 496 E N 1.274 121.420 120.200 -0.090 0.000 2.153 496 E HA -0.117 4.213 4.350 -0.033 0.000 0.194 496 E C 0.265 176.741 176.600 -0.208 0.000 0.988 496 E CA 1.020 57.356 56.400 -0.107 0.000 0.811 496 E CB -0.145 29.573 29.700 0.030 0.000 0.746 496 E HN 0.335 nan 8.360 nan 0.000 0.466 497 D N -0.403 119.990 120.400 -0.010 0.000 2.363 497 D HA 0.009 4.630 4.640 -0.033 0.000 0.214 497 D C -0.370 176.090 176.300 0.267 0.000 1.093 497 D CA -0.077 54.033 54.000 0.183 0.000 0.837 497 D CB -0.010 41.052 40.800 0.437 0.000 0.948 497 D HN 0.191 nan 8.370 nan 0.000 0.507 498 H N -1.231 118.017 119.070 0.297 0.000 2.748 498 H HA -0.174 4.362 4.556 -0.033 0.000 0.322 498 H C 0.381 175.877 175.328 0.280 0.000 1.208 498 H CA 0.333 56.529 56.048 0.247 0.000 1.151 498 H CB -1.855 27.997 29.762 0.151 0.000 1.505 498 H HN 0.365 nan 8.280 nan 0.000 0.429 499 W N 0.336 121.727 121.300 0.151 0.000 2.525 499 W HA 0.044 4.684 4.660 -0.033 0.000 0.259 499 W C 2.051 178.660 176.519 0.151 0.000 1.253 499 W CA 1.033 58.468 57.345 0.151 0.000 1.262 499 W CB 0.025 29.577 29.460 0.155 0.000 1.122 499 W HN 0.331 nan 8.180 nan 0.000 0.607 500 L N -0.743 120.701 121.223 0.368 0.000 2.857 500 L HA 0.370 4.690 4.340 -0.033 0.000 0.249 500 L C 1.498 178.525 176.870 0.262 0.000 1.172 500 L CA -0.332 54.677 54.840 0.283 0.000 0.980 500 L CB -0.564 41.644 42.059 0.249 0.000 1.299 500 L HN -0.223 nan 8.230 nan 0.000 0.535 501 G N -0.454 108.504 108.800 0.262 0.000 2.636 501 G HA2 0.048 3.988 3.960 -0.033 0.000 0.246 501 G HA3 0.048 3.988 3.960 -0.033 0.000 0.246 501 G C 0.802 175.789 174.900 0.146 0.000 1.216 501 G CA -0.280 44.941 45.100 0.201 0.000 0.854 501 G HN 0.227 nan 8.290 nan 0.000 0.572 502 R N 0.316 120.886 120.500 0.118 0.000 2.091 502 R HA -0.121 4.200 4.340 -0.033 0.000 0.238 502 R C 2.308 178.659 176.300 0.084 0.000 1.136 502 R CA 1.799 57.962 56.100 0.105 0.000 0.959 502 R CB -0.199 30.157 30.300 0.094 0.000 0.856 502 R HN 0.479 nan 8.270 nan 0.000 0.437 503 K N 0.169 120.596 120.400 0.046 0.000 2.032 503 K HA -0.146 4.154 4.320 -0.033 0.000 0.209 503 K C 1.860 178.452 176.600 -0.014 0.000 1.048 503 K CA 2.035 58.329 56.287 0.012 0.000 0.927 503 K CB -0.372 32.114 32.500 -0.023 0.000 0.712 503 K HN 0.215 nan 8.250 nan 0.000 0.441 504 N N -0.628 118.054 118.700 -0.030 0.000 2.290 504 N HA -0.081 4.640 4.740 -0.033 0.000 0.179 504 N C 1.265 176.732 175.510 -0.071 0.000 1.016 504 N CA 1.191 54.159 53.050 -0.137 0.000 0.871 504 N CB 0.150 38.537 38.487 -0.167 0.000 0.987 504 N HN 0.207 nan 8.380 nan 0.000 0.431 505 S N -1.941 113.825 115.700 0.111 0.000 2.517 505 S HA 0.317 4.767 4.470 -0.033 0.000 0.214 505 S C 1.651 176.455 174.600 0.339 0.000 0.991 505 S CA 0.622 58.969 58.200 0.245 0.000 0.906 505 S CB 0.158 63.477 63.200 0.199 0.000 0.789 505 S HN 0.458 nan 8.310 nan 0.000 0.513 506 G N 1.336 110.297 108.800 0.269 0.000 2.779 506 G HA2 -0.321 3.619 3.960 -0.033 0.000 0.230 506 G HA3 -0.321 3.619 3.960 -0.033 0.000 0.230 506 G C 1.080 176.054 174.900 0.123 0.000 1.243 506 G CA 0.261 45.491 45.100 0.216 0.000 0.769 506 G HN 1.263 nan 8.290 nan 0.000 0.516 507 G N 1.045 109.914 108.800 0.116 0.000 2.833 507 G HA2 0.533 4.473 3.960 -0.033 0.000 0.210 507 G HA3 0.533 4.473 3.960 -0.033 0.000 0.210 507 G C 1.012 175.963 174.900 0.085 0.000 1.139 507 G CA 1.056 46.197 45.100 0.069 0.000 0.771 507 G HN 1.359 nan 8.290 nan 0.000 0.535 508 G N -0.304 108.568 108.800 0.120 0.000 2.651 508 G HA2 0.406 4.346 3.960 -0.033 0.000 0.260 508 G HA3 0.406 4.346 3.960 -0.033 0.000 0.260 508 G C 0.502 175.508 174.900 0.178 0.000 1.216 508 G CA 0.583 45.774 45.100 0.150 0.000 0.913 508 G HN 0.857 nan 8.290 nan 0.000 0.535 509 V N -3.041 117.017 119.914 0.240 0.000 3.399 509 V HA 0.338 4.438 4.120 -0.033 0.000 0.357 509 V C 0.239 176.503 176.094 0.284 0.000 1.480 509 V CA -0.469 61.975 62.300 0.239 0.000 1.263 509 V CB 0.082 32.065 31.823 0.267 0.000 1.103 509 V HN 0.620 nan 8.190 nan 0.000 0.533 510 E N 1.903 122.318 120.200 0.358 0.000 2.465 510 E HA 0.336 4.666 4.350 -0.033 0.000 0.260 510 E C 1.400 178.178 176.600 0.296 0.000 0.980 510 E CA 1.676 58.339 56.400 0.439 0.000 0.927 510 E CB 0.975 30.968 29.700 0.489 0.000 0.934 510 E HN 1.101 nan 8.360 nan 0.000 0.459 511 G N 3.777 112.737 108.800 0.266 0.000 2.199 511 G HA2 -0.267 3.674 3.960 -0.033 0.000 0.254 511 G HA3 -0.267 3.674 3.960 -0.033 0.000 0.254 511 G C 0.277 175.205 174.900 0.047 0.000 0.982 511 G CA 0.310 45.501 45.100 0.152 0.000 0.632 511 G HN 0.464 nan 8.290 nan 0.000 0.529 512 L N 1.650 122.903 121.223 0.050 0.000 2.276 512 L HA 0.615 4.936 4.340 -0.033 0.000 0.286 512 L C 1.413 178.269 176.870 -0.023 0.000 1.061 512 L CA -0.231 54.621 54.840 0.021 0.000 0.807 512 L CB 1.192 43.288 42.059 0.062 0.000 1.177 512 L HN 0.220 nan 8.230 nan 0.000 0.429 513 G N 1.748 110.534 108.800 -0.024 0.000 2.588 513 G HA2 0.262 4.202 3.960 -0.033 0.000 0.281 513 G HA3 0.262 4.202 3.960 -0.033 0.000 0.281 513 G C 0.695 175.610 174.900 0.025 0.000 1.236 513 G CA -0.663 44.429 45.100 -0.013 0.000 0.969 513 G HN 0.463 nan 8.290 nan 0.000 0.504 514 L N -0.475 120.800 121.223 0.086 0.000 2.265 514 L HA -0.051 4.269 4.340 -0.033 0.000 0.215 514 L C 2.872 179.832 176.870 0.150 0.000 1.117 514 L CA 1.441 56.390 54.840 0.182 0.000 0.782 514 L CB -0.804 41.376 42.059 0.202 0.000 0.914 514 L HN 0.610 nan 8.230 nan 0.000 0.441 515 Q N -1.013 118.763 119.800 -0.040 0.000 2.437 515 Q HA -0.097 4.223 4.340 -0.033 0.000 0.210 515 Q C 1.608 177.593 176.000 -0.024 0.000 0.972 515 Q CA 0.952 56.584 55.803 -0.285 0.000 0.903 515 Q CB -0.099 28.216 28.738 -0.705 0.000 0.967 515 Q HN 0.379 nan 8.270 nan 0.000 0.486 516 K N -0.263 120.149 120.400 0.020 0.000 2.367 516 K HA 0.204 4.505 4.320 -0.033 0.000 0.198 516 K C 1.854 178.373 176.600 -0.135 0.000 1.132 516 K CA 0.033 56.345 56.287 0.042 0.000 0.941 516 K CB 0.021 32.601 32.500 0.133 0.000 1.052 516 K HN 0.126 nan 8.250 nan 0.000 0.507 517 L N 1.394 122.534 121.223 -0.139 0.000 2.089 517 L HA -0.201 4.120 4.340 -0.033 0.000 0.213 517 L C 2.416 178.807 176.870 -0.799 0.000 1.079 517 L CA 1.966 56.610 54.840 -0.326 0.000 0.758 517 L CB -1.193 40.735 42.059 -0.219 0.000 0.891 517 L HN 0.351 nan 8.230 nan 0.000 0.433 518 G N -0.947 107.349 108.800 -0.840 0.000 2.433 518 G HA2 -0.283 3.658 3.960 -0.033 0.000 0.216 518 G HA3 -0.283 3.658 3.960 -0.033 0.000 0.216 518 G C 1.284 175.698 174.900 -0.810 0.000 1.186 518 G CA 0.629 45.233 45.100 -0.826 0.000 0.779 518 G HN 0.306 nan 8.290 nan 0.000 0.543 519 Y N 0.161 119.987 120.300 -0.790 0.000 2.293 519 Y HA -0.027 4.504 4.550 -0.032 0.000 0.291 519 Y C 2.682 178.002 175.900 -0.967 0.000 1.137 519 Y CA 0.210 57.601 58.100 -1.183 0.000 1.202 519 Y CB -0.104 36.944 38.460 -2.353 0.000 0.990 519 Y HN 0.080 nan 8.280 nan 0.000 0.537 520 I N -0.360 119.864 120.570 -0.576 0.000 2.252 520 I HA -0.253 3.897 4.170 -0.033 0.000 0.245 520 I C 2.349 178.232 176.117 -0.389 0.000 1.102 520 I CA 0.938 62.042 61.300 -0.327 0.000 1.385 520 I CB -1.242 36.656 38.000 -0.171 0.000 1.064 520 I HN 0.261 nan 8.210 nan 0.000 0.414 521 L N 0.174 121.095 121.223 -0.503 0.000 2.017 521 L HA -0.242 4.078 4.340 -0.033 0.000 0.208 521 L C 2.854 179.352 176.870 -0.621 0.000 1.073 521 L CA 1.453 56.011 54.840 -0.470 0.000 0.745 521 L CB -0.327 41.500 42.059 -0.386 0.000 0.894 521 L HN 0.235 nan 8.230 nan 0.000 0.432 522 R N 0.248 120.113 120.500 -1.057 0.000 2.083 522 R HA -0.263 4.057 4.340 -0.033 0.000 0.237 522 R C 2.137 178.000 176.300 -0.728 0.000 1.137 522 R CA 2.155 57.328 56.100 -1.546 0.000 0.951 522 R CB -0.419 28.901 30.300 -1.633 0.000 0.851 522 R HN 0.528 nan 8.270 nan 0.000 0.434 523 E N 0.051 119.979 120.200 -0.453 0.000 2.058 523 E HA -0.159 4.171 4.350 -0.033 0.000 0.194 523 E C 1.912 178.413 176.600 -0.166 0.000 0.997 523 E CA 1.693 57.970 56.400 -0.204 0.000 0.801 523 E CB -0.019 29.639 29.700 -0.071 0.000 0.746 523 E HN 0.240 nan 8.360 nan 0.000 0.450 524 V N 1.007 120.803 119.914 -0.197 0.000 2.307 524 V HA -0.132 3.968 4.120 -0.033 0.000 0.245 524 V C 2.326 178.357 176.094 -0.105 0.000 1.045 524 V CA 1.826 64.042 62.300 -0.139 0.000 1.024 524 V CB -0.749 30.975 31.823 -0.165 0.000 0.651 524 V HN 0.524 nan 8.190 nan 0.000 0.449 525 G N -1.045 107.675 108.800 -0.132 0.000 3.028 525 G HA2 -0.043 3.897 3.960 -0.033 0.000 0.205 525 G HA3 -0.043 3.897 3.960 -0.033 0.000 0.205 525 G C 1.030 175.964 174.900 0.057 0.000 1.182 525 G CA 1.134 46.238 45.100 0.006 0.000 0.860 525 G HN 0.520 nan 8.290 nan 0.000 0.507 526 T N -0.982 113.566 114.554 -0.010 0.000 2.986 526 T HA 0.210 4.540 4.350 -0.033 0.000 0.264 526 T C 1.030 175.744 174.700 0.023 0.000 0.964 526 T CA -0.606 61.511 62.100 0.029 0.000 0.895 526 T CB 0.732 69.604 68.868 0.008 0.000 1.163 526 T HN 0.158 nan 8.240 nan 0.000 0.517 527 R N 3.280 123.783 120.500 0.005 0.000 2.522 527 R HA 0.187 4.507 4.340 -0.033 0.000 0.284 527 R C -2.478 173.836 176.300 0.023 0.000 1.032 527 R CA -1.295 54.808 56.100 0.006 0.000 1.049 527 R CB 0.154 30.449 30.300 -0.009 0.000 0.956 527 R HN 0.162 nan 8.270 nan 0.000 0.422 528 P HA 0.164 nan 4.420 nan 0.000 0.268 528 P C -0.105 177.218 177.300 0.038 0.000 1.205 528 P CA 0.161 63.280 63.100 0.033 0.000 0.771 528 P CB 1.399 33.113 31.700 0.024 0.000 0.858 529 G N 1.062 109.895 108.800 0.054 0.000 2.491 529 G HA2 0.381 4.321 3.960 -0.033 0.000 0.183 529 G HA3 0.381 4.321 3.960 -0.033 0.000 0.183 529 G C -0.138 174.824 174.900 0.104 0.000 1.221 529 G CA -0.065 45.076 45.100 0.069 0.000 0.996 529 G HN 0.665 nan 8.290 nan 0.000 0.474 530 G N -0.507 108.377 108.800 0.140 0.000 2.546 530 G HA2 0.539 4.480 3.960 -0.033 0.000 0.239 530 G HA3 0.539 4.480 3.960 -0.033 0.000 0.239 530 G C 0.296 175.324 174.900 0.213 0.000 1.476 530 G CA -0.369 44.856 45.100 0.209 0.000 1.064 530 G HN 0.618 nan 8.290 nan 0.000 0.561 531 R N -1.379 119.236 120.500 0.192 0.000 2.652 531 R HA 0.316 4.637 4.340 -0.033 0.000 0.271 531 R C -0.366 175.883 176.300 -0.085 0.000 1.129 531 R CA -0.350 55.748 56.100 -0.003 0.000 1.200 531 R CB 0.528 30.614 30.300 -0.358 0.000 1.146 531 R HN 0.284 nan 8.270 nan 0.000 0.581 532 I N 1.656 122.199 120.570 -0.046 0.000 2.325 532 I HA 0.168 4.318 4.170 -0.033 0.000 0.291 532 I C -0.694 175.461 176.117 0.063 0.000 1.019 532 I CA -0.186 61.152 61.300 0.063 0.000 1.302 532 I CB 0.454 38.535 38.000 0.135 0.000 1.401 532 I HN 0.279 nan 8.210 nan 0.000 0.485 533 Y N 4.441 124.866 120.300 0.209 0.000 2.387 533 Y HA 0.659 5.190 4.550 -0.032 0.000 0.336 533 Y C 0.406 176.499 175.900 0.322 0.000 1.067 533 Y CA -0.893 57.405 58.100 0.329 0.000 1.114 533 Y CB 1.886 40.520 38.460 0.289 0.000 1.208 533 Y HN 0.565 nan 8.280 nan 0.000 0.458 534 A N 2.321 125.491 122.820 0.584 0.000 3.453 534 A HA 0.335 4.635 4.320 -0.033 0.000 0.262 534 A C -1.310 176.500 177.584 0.377 0.000 1.026 534 A CA -0.731 51.534 52.037 0.379 0.000 0.938 534 A CB -0.285 18.855 19.000 0.234 0.000 1.246 534 A HN 0.635 nan 8.150 nan 0.000 0.546 535 D N 1.137 121.746 120.400 0.347 0.000 2.304 535 D HA 0.398 5.018 4.640 -0.033 0.000 0.247 535 D C -0.569 175.855 176.300 0.207 0.000 1.089 535 D CA 0.498 54.656 54.000 0.264 0.000 0.910 535 D CB 1.184 42.117 40.800 0.222 0.000 1.199 535 D HN 0.351 nan 8.370 nan 0.000 0.426 536 D N 0.091 120.597 120.400 0.176 0.000 2.198 536 D HA 0.304 4.924 4.640 -0.033 0.000 0.247 536 D C -0.201 176.195 176.300 0.159 0.000 1.010 536 D CA -0.249 53.845 54.000 0.157 0.000 0.880 536 D CB 1.369 42.253 40.800 0.140 0.000 1.209 536 D HN 0.032 nan 8.370 nan 0.000 0.451 537 T N 0.682 115.363 114.554 0.212 0.000 2.845 537 T HA 0.502 4.833 4.350 -0.033 0.000 0.288 537 T C 0.067 174.877 174.700 0.184 0.000 0.980 537 T CA -0.572 61.668 62.100 0.234 0.000 1.071 537 T CB 1.113 70.251 68.868 0.449 0.000 0.941 537 T HN 0.350 nan 8.240 nan 0.000 0.487 538 A N 2.514 125.400 122.820 0.110 0.000 2.475 538 A HA 0.537 4.838 4.320 -0.033 0.000 0.293 538 A C 1.292 178.929 177.584 0.087 0.000 1.252 538 A CA 0.047 52.133 52.037 0.081 0.000 0.920 538 A CB -1.110 17.911 19.000 0.035 0.000 1.125 538 A HN 1.477 nan 8.150 nan 0.000 0.528 539 G N 2.611 111.483 108.800 0.119 0.000 2.370 539 G HA2 -0.254 3.687 3.960 -0.033 0.000 0.295 539 G HA3 -0.254 3.687 3.960 -0.033 0.000 0.295 539 G C 0.723 175.712 174.900 0.148 0.000 1.045 539 G CA 0.346 45.518 45.100 0.121 0.000 1.199 539 G HN 1.288 nan 8.290 nan 0.000 0.513 540 W N 0.835 122.157 121.300 0.036 0.000 2.290 540 W HA -0.227 4.413 4.660 -0.033 0.000 0.323 540 W C 1.497 178.035 176.519 0.031 0.000 1.260 540 W CA 2.286 59.653 57.345 0.037 0.000 1.266 540 W CB -0.246 29.245 29.460 0.052 0.000 1.149 540 W HN 0.524 nan 8.180 nan 0.000 0.482 541 D N -0.332 120.184 120.400 0.194 0.000 2.190 541 D HA -0.181 4.439 4.640 -0.033 0.000 0.200 541 D C 2.064 178.325 176.300 -0.066 0.000 0.992 541 D CA 2.684 56.728 54.000 0.074 0.000 0.854 541 D CB -0.514 40.387 40.800 0.168 0.000 0.936 541 D HN 0.343 nan 8.370 nan 0.000 0.462 542 T N -2.365 112.154 114.554 -0.058 0.000 3.107 542 T HA 0.095 4.425 4.350 -0.033 0.000 0.249 542 T C 1.499 176.115 174.700 -0.140 0.000 1.096 542 T CA -0.074 61.976 62.100 -0.083 0.000 1.012 542 T CB 0.332 69.175 68.868 -0.041 0.000 0.977 542 T HN -0.128 nan 8.240 nan 0.000 0.527 543 R N 0.643 121.009 120.500 -0.224 0.000 2.362 543 R HA 0.386 4.707 4.340 -0.033 0.000 0.227 543 R C 0.169 176.248 176.300 -0.369 0.000 0.905 543 R CA -0.321 55.614 56.100 -0.274 0.000 1.067 543 R CB 0.006 30.137 30.300 -0.282 0.000 1.078 543 R HN 0.407 nan 8.270 nan 0.000 0.516 544 I N 3.004 123.343 120.570 -0.384 0.000 2.452 544 I HA -0.003 4.147 4.170 -0.033 0.000 0.287 544 I C 1.157 177.161 176.117 -0.188 0.000 1.079 544 I CA 0.367 61.469 61.300 -0.329 0.000 1.387 544 I CB 0.737 38.576 38.000 -0.267 0.000 1.404 544 I HN 0.035 nan 8.210 nan 0.000 0.522 545 T N 3.715 118.181 114.554 -0.146 0.000 2.897 545 T HA 0.401 4.732 4.350 -0.033 0.000 0.278 545 T C 1.240 175.906 174.700 -0.057 0.000 0.981 545 T CA -0.689 61.355 62.100 -0.093 0.000 0.973 545 T CB 1.388 70.211 68.868 -0.075 0.000 1.092 545 T HN 0.514 nan 8.240 nan 0.000 0.543 546 R N 0.001 120.475 120.500 -0.044 0.000 2.148 546 R HA 0.069 4.389 4.340 -0.033 0.000 0.227 546 R C 2.647 178.948 176.300 0.002 0.000 1.103 546 R CA 1.174 57.259 56.100 -0.026 0.000 0.983 546 R CB -0.745 29.538 30.300 -0.028 0.000 0.874 546 R HN 0.788 nan 8.270 nan 0.000 0.451 547 A N 1.135 123.960 122.820 0.007 0.000 1.930 547 A HA -0.160 4.140 4.320 -0.033 0.000 0.217 547 A C 1.408 179.029 177.584 0.062 0.000 1.175 547 A CA 1.575 53.634 52.037 0.036 0.000 0.627 547 A CB -0.230 18.790 19.000 0.034 0.000 0.815 547 A HN 0.122 nan 8.150 nan 0.000 0.443 548 D N 0.149 120.574 120.400 0.042 0.000 2.117 548 D HA -0.095 4.526 4.640 -0.033 0.000 0.198 548 D C 1.940 178.306 176.300 0.110 0.000 0.982 548 D CA 0.934 54.980 54.000 0.076 0.000 0.828 548 D CB -0.297 40.506 40.800 0.005 0.000 0.967 548 D HN 0.442 nan 8.370 nan 0.000 0.464 549 L N 0.684 121.943 121.223 0.061 0.000 2.093 549 L HA -0.129 4.191 4.340 -0.033 0.000 0.208 549 L C 2.296 179.214 176.870 0.080 0.000 1.085 549 L CA 1.061 55.940 54.840 0.064 0.000 0.755 549 L CB -0.327 41.743 42.059 0.019 0.000 0.904 549 L HN 0.018 nan 8.230 nan 0.000 0.435 550 E N 0.322 120.566 120.200 0.073 0.000 2.077 550 E HA -0.206 4.124 4.350 -0.033 0.000 0.193 550 E C 1.845 178.520 176.600 0.124 0.000 0.989 550 E CA 1.478 57.922 56.400 0.073 0.000 0.800 550 E CB -0.157 29.579 29.700 0.061 0.000 0.746 550 E HN 0.584 nan 8.360 nan 0.000 0.452 551 N N 0.459 119.273 118.700 0.190 0.000 2.244 551 N HA -0.133 4.588 4.740 -0.033 0.000 0.183 551 N C 1.622 177.393 175.510 0.435 0.000 1.016 551 N CA 0.699 53.942 53.050 0.321 0.000 0.866 551 N CB 0.076 38.777 38.487 0.357 0.000 0.980 551 N HN 0.147 nan 8.380 nan 0.000 0.430 552 E N 0.702 121.086 120.200 0.307 0.000 2.107 552 E HA -0.042 4.288 4.350 -0.033 0.000 0.191 552 E C 1.763 178.453 176.600 0.151 0.000 0.982 552 E CA 0.719 57.266 56.400 0.244 0.000 0.809 552 E CB -0.004 29.805 29.700 0.182 0.000 0.756 552 E HN 0.360 nan 8.360 nan 0.000 0.459 553 A N 1.100 123.964 122.820 0.073 0.000 2.248 553 A HA -0.137 4.164 4.320 -0.033 0.000 0.210 553 A C 1.589 179.079 177.584 -0.156 0.000 1.174 553 A CA 0.756 52.767 52.037 -0.044 0.000 0.750 553 A CB -0.250 18.737 19.000 -0.021 0.000 0.780 553 A HN 0.044 nan 8.150 nan 0.000 0.478 554 K N -0.096 120.206 120.400 -0.163 0.000 2.515 554 K HA -0.033 4.267 4.320 -0.033 0.000 0.196 554 K C 1.586 177.734 176.600 -0.752 0.000 1.038 554 K CA 0.963 57.052 56.287 -0.331 0.000 0.967 554 K CB -0.234 32.191 32.500 -0.125 0.000 0.780 554 K HN 0.510 nan 8.250 nan 0.000 0.483 555 V N 0.075 119.404 119.914 -0.975 0.000 2.392 555 V HA -0.268 3.832 4.120 -0.033 0.000 0.249 555 V C 2.032 177.774 176.094 -0.588 0.000 1.059 555 V CA 1.468 63.126 62.300 -1.069 0.000 1.051 555 V CB -0.896 30.438 31.823 -0.815 0.000 0.658 555 V HN 0.249 nan 8.190 nan 0.000 0.455 556 L N -0.016 120.954 121.223 -0.422 0.000 2.081 556 L HA -0.179 4.142 4.340 -0.033 0.000 0.212 556 L C 2.825 179.526 176.870 -0.282 0.000 1.080 556 L CA 1.614 56.264 54.840 -0.316 0.000 0.754 556 L CB -0.819 41.099 42.059 -0.234 0.000 0.893 556 L HN 0.334 nan 8.230 nan 0.000 0.433 557 E N -0.149 119.888 120.200 -0.272 0.000 2.338 557 E HA -0.139 4.192 4.350 -0.033 0.000 0.197 557 E C 2.061 178.544 176.600 -0.195 0.000 1.007 557 E CA 0.765 57.046 56.400 -0.198 0.000 0.849 557 E CB -0.091 29.513 29.700 -0.160 0.000 0.774 557 E HN 0.317 nan 8.360 nan 0.000 0.506 558 L N -0.185 120.881 121.223 -0.263 0.000 2.341 558 L HA 0.089 4.410 4.340 -0.033 0.000 0.214 558 L C 0.968 177.694 176.870 -0.240 0.000 1.115 558 L CA 0.713 55.424 54.840 -0.214 0.000 0.820 558 L CB -0.486 41.432 42.059 -0.236 0.000 0.944 558 L HN -0.007 nan 8.230 nan 0.000 0.452 559 L N -0.608 120.430 121.223 -0.307 0.000 2.358 559 L HA 0.479 4.799 4.340 -0.033 0.000 0.268 559 L C -0.530 176.211 176.870 -0.214 0.000 1.032 559 L CA -0.935 53.699 54.840 -0.343 0.000 0.805 559 L CB 1.234 42.953 42.059 -0.566 0.000 1.253 559 L HN 0.049 nan 8.230 nan 0.000 0.452 560 D N -0.595 119.710 120.400 -0.158 0.000 2.552 560 D HA 0.609 5.229 4.640 -0.033 0.000 0.239 560 D C 0.340 176.602 176.300 -0.063 0.000 1.139 560 D CA 0.075 54.016 54.000 -0.098 0.000 0.914 560 D CB 1.318 42.074 40.800 -0.074 0.000 1.461 560 D HN 0.742 nan 8.370 nan 0.000 0.462 561 G N 1.081 109.849 108.800 -0.054 0.000 2.672 561 G HA2 -0.438 3.502 3.960 -0.033 0.000 0.324 561 G HA3 -0.438 3.502 3.960 -0.033 0.000 0.324 561 G C 0.923 175.806 174.900 -0.030 0.000 1.286 561 G CA 1.059 46.136 45.100 -0.038 0.000 1.004 561 G HN 0.684 nan 8.290 nan 0.000 0.548 562 E N -0.935 119.256 120.200 -0.015 0.000 2.077 562 E HA -0.067 4.263 4.350 -0.033 0.000 0.193 562 E C 2.116 178.731 176.600 0.026 0.000 0.989 562 E CA 1.691 58.087 56.400 -0.007 0.000 0.800 562 E CB -0.324 29.366 29.700 -0.016 0.000 0.746 562 E HN 0.669 nan 8.360 nan 0.000 0.452 563 H N -0.291 118.718 119.070 -0.101 0.000 2.319 563 H HA -0.111 4.426 4.556 -0.033 0.000 0.299 563 H C 2.314 177.563 175.328 -0.132 0.000 1.092 563 H CA 1.192 57.164 56.048 -0.127 0.000 1.302 563 H CB 0.215 29.881 29.762 -0.161 0.000 1.373 563 H HN -0.041 nan 8.280 nan 0.000 0.497 564 R N 0.726 121.161 120.500 -0.108 0.000 2.081 564 R HA -0.115 4.205 4.340 -0.033 0.000 0.235 564 R C 2.488 178.706 176.300 -0.136 0.000 1.131 564 R CA 1.276 57.260 56.100 -0.194 0.000 0.960 564 R CB -0.134 30.063 30.300 -0.172 0.000 0.856 564 R HN 0.383 nan 8.270 nan 0.000 0.436 565 R N -0.001 120.448 120.500 -0.084 0.000 2.092 565 R HA -0.031 4.290 4.340 -0.033 0.000 0.231 565 R C 2.407 178.659 176.300 -0.079 0.000 1.119 565 R CA 1.044 57.099 56.100 -0.075 0.000 0.970 565 R CB -0.154 30.118 30.300 -0.046 0.000 0.864 565 R HN 0.217 nan 8.270 nan 0.000 0.440 566 L N -0.370 120.826 121.223 -0.045 0.000 2.056 566 L HA -0.106 4.215 4.340 -0.033 0.000 0.207 566 L C 2.557 179.355 176.870 -0.121 0.000 1.078 566 L CA 1.155 55.974 54.840 -0.036 0.000 0.749 566 L CB -0.443 41.626 42.059 0.016 0.000 0.901 566 L HN 0.238 nan 8.230 nan 0.000 0.433 567 A N -0.101 122.648 122.820 -0.119 0.000 1.968 567 A HA -0.203 4.097 4.320 -0.033 0.000 0.217 567 A C 2.423 179.866 177.584 -0.235 0.000 1.169 567 A CA 1.356 53.283 52.037 -0.183 0.000 0.638 567 A CB -0.494 18.379 19.000 -0.211 0.000 0.812 567 A HN 0.325 nan 8.150 nan 0.000 0.446 568 R N -0.318 120.059 120.500 -0.205 0.000 2.115 568 R HA -0.053 4.268 4.340 -0.033 0.000 0.230 568 R C 2.199 178.362 176.300 -0.229 0.000 1.111 568 R CA 1.266 57.249 56.100 -0.195 0.000 0.976 568 R CB -0.336 29.874 30.300 -0.150 0.000 0.870 568 R HN 0.427 nan 8.270 nan 0.000 0.445 569 A N 1.245 123.896 122.820 -0.281 0.000 1.930 569 A HA -0.115 4.185 4.320 -0.033 0.000 0.217 569 A C 1.978 179.294 177.584 -0.447 0.000 1.175 569 A CA 1.004 52.805 52.037 -0.393 0.000 0.627 569 A CB -0.307 18.315 19.000 -0.631 0.000 0.815 569 A HN 0.236 nan 8.150 nan 0.000 0.443 570 I N 0.123 120.412 120.570 -0.468 0.000 2.133 570 I HA -0.208 3.942 4.170 -0.033 0.000 0.238 570 I C 2.503 178.209 176.117 -0.684 0.000 1.074 570 I CA 1.162 62.126 61.300 -0.560 0.000 1.342 570 I CB -1.336 36.330 38.000 -0.557 0.000 1.053 570 I HN 0.289 nan 8.210 nan 0.000 0.404 571 I N 0.776 121.012 120.570 -0.556 0.000 2.151 571 I HA -0.294 3.857 4.170 -0.033 0.000 0.243 571 I C 2.235 178.268 176.117 -0.140 0.000 1.080 571 I CA 1.599 62.687 61.300 -0.353 0.000 1.339 571 I CB -0.282 37.604 38.000 -0.190 0.000 1.039 571 I HN 0.357 nan 8.210 nan 0.000 0.409 572 E N -0.169 119.952 120.200 -0.131 0.000 2.415 572 E HA 0.058 4.389 4.350 -0.033 0.000 0.197 572 E C 2.036 178.660 176.600 0.039 0.000 1.007 572 E CA 0.473 56.857 56.400 -0.027 0.000 0.890 572 E CB 0.472 30.156 29.700 -0.027 0.000 0.891 572 E HN 0.513 nan 8.360 nan 0.000 0.496 573 L N 0.137 121.326 121.223 -0.056 0.000 2.433 573 L HA 0.068 4.388 4.340 -0.033 0.000 0.200 573 L C 2.027 178.912 176.870 0.024 0.000 1.059 573 L CA 0.885 55.712 54.840 -0.022 0.000 0.835 573 L CB 0.127 42.112 42.059 -0.123 0.000 1.076 573 L HN -0.018 nan 8.230 nan 0.000 0.481 574 T N -1.332 113.198 114.554 -0.040 0.000 3.067 574 T HA 0.020 4.350 4.350 -0.033 0.000 0.257 574 T C 1.366 176.228 174.700 0.269 0.000 1.105 574 T CA 0.585 62.726 62.100 0.069 0.000 1.104 574 T CB 0.104 68.982 68.868 0.018 0.000 0.925 574 T HN 0.078 nan 8.240 nan 0.000 0.498 575 Y N 1.564 121.843 120.300 -0.035 0.000 2.259 575 Y HA 0.309 4.839 4.550 -0.032 0.000 0.285 575 Y C 2.463 178.312 175.900 -0.084 0.000 1.130 575 Y CA -0.249 57.818 58.100 -0.053 0.000 1.144 575 Y CB -0.536 37.898 38.460 -0.044 0.000 1.093 575 Y HN -0.060 nan 8.280 nan 0.000 0.507 576 R N 0.033 120.582 120.500 0.082 0.000 2.152 576 R HA -0.093 4.227 4.340 -0.033 0.000 0.232 576 R C -0.302 175.814 176.300 -0.307 0.000 1.117 576 R CA 0.977 56.998 56.100 -0.132 0.000 0.981 576 R CB -0.647 29.545 30.300 -0.180 0.000 0.870 576 R HN 0.356 nan 8.270 nan 0.000 0.451 577 H N 1.235 120.319 119.070 0.022 0.000 2.718 577 H HA 0.320 4.857 4.556 -0.033 0.000 0.295 577 H C -0.193 175.157 175.328 0.036 0.000 1.051 577 H CA -0.378 55.683 56.048 0.021 0.000 1.260 577 H CB 1.077 30.846 29.762 0.013 0.000 1.403 577 H HN -0.133 nan 8.280 nan 0.000 0.488 578 K N 2.123 122.594 120.400 0.119 0.000 2.143 578 K HA 0.387 4.688 4.320 -0.033 0.000 0.272 578 K C -0.316 176.413 176.600 0.215 0.000 1.001 578 K CA -0.786 55.565 56.287 0.106 0.000 0.915 578 K CB 2.152 34.681 32.500 0.050 0.000 1.047 578 K HN 0.175 nan 8.250 nan 0.000 0.458 579 V N 3.810 123.852 119.914 0.214 0.000 2.340 579 V HA 0.170 4.270 4.120 -0.033 0.000 0.277 579 V C -0.464 175.813 176.094 0.304 0.000 1.017 579 V CA -0.806 61.639 62.300 0.242 0.000 0.820 579 V CB 1.448 33.382 31.823 0.184 0.000 1.028 579 V HN 0.447 nan 8.190 nan 0.000 0.436 580 V N 5.141 125.231 119.914 0.293 0.000 2.547 580 V HA 0.492 4.592 4.120 -0.033 0.000 0.299 580 V C 0.090 176.236 176.094 0.087 0.000 1.040 580 V CA -0.853 61.602 62.300 0.258 0.000 0.913 580 V CB 2.231 34.193 31.823 0.231 0.000 0.992 580 V HN 0.739 nan 8.190 nan 0.000 0.449 581 K N 2.759 123.206 120.400 0.079 0.000 2.138 581 K HA 0.823 5.123 4.320 -0.033 0.000 0.263 581 K C -1.414 175.124 176.600 -0.102 0.000 0.965 581 K CA -0.531 55.749 56.287 -0.012 0.000 0.868 581 K CB 2.004 34.535 32.500 0.051 0.000 1.083 581 K HN 0.504 nan 8.250 nan 0.000 0.443 582 V N 1.502 121.305 119.914 -0.186 0.000 2.777 582 V HA 0.363 4.463 4.120 -0.033 0.000 0.306 582 V C -0.424 175.559 176.094 -0.186 0.000 1.112 582 V CA -1.054 61.122 62.300 -0.207 0.000 0.917 582 V CB 1.613 33.217 31.823 -0.365 0.000 1.018 582 V HN 0.764 nan 8.190 nan 0.000 0.426 583 M N 3.828 123.342 119.600 -0.143 0.000 2.241 583 M HA 0.586 5.046 4.480 -0.033 0.000 0.335 583 M C -0.003 176.232 176.300 -0.108 0.000 1.122 583 M CA 0.062 55.285 55.300 -0.128 0.000 1.164 583 M CB 1.061 33.608 32.600 -0.089 0.000 1.459 583 M HN 0.742 nan 8.290 nan 0.000 0.461 584 R N 2.838 123.281 120.500 -0.095 0.000 2.536 584 R HA 0.393 4.713 4.340 -0.033 0.000 0.269 584 R C -2.891 173.378 176.300 -0.051 0.000 1.113 584 R CA -1.399 54.653 56.100 -0.080 0.000 0.948 584 R CB 2.357 32.597 30.300 -0.100 0.000 1.237 584 R HN 0.291 nan 8.270 nan 0.000 0.441 585 P HA 0.166 nan 4.420 nan 0.000 0.275 585 P C -0.787 176.501 177.300 -0.019 0.000 1.276 585 P CA 0.032 63.132 63.100 -0.001 0.000 0.782 585 P CB 1.321 33.049 31.700 0.046 0.000 0.851 586 A N 4.314 127.122 122.820 -0.020 0.000 2.301 586 A HA 0.699 4.999 4.320 -0.033 0.000 0.287 586 A C 0.503 178.075 177.584 -0.021 0.000 1.274 586 A CA -0.372 51.652 52.037 -0.022 0.000 0.865 586 A CB -0.138 18.861 19.000 -0.002 0.000 1.324 586 A HN 0.544 nan 8.150 nan 0.000 0.508 587 A N -1.054 121.750 122.820 -0.026 0.000 2.386 587 A HA 0.438 4.738 4.320 -0.033 0.000 0.246 587 A C 0.156 177.727 177.584 -0.022 0.000 1.089 587 A CA 0.524 52.545 52.037 -0.026 0.000 0.790 587 A CB -0.319 18.662 19.000 -0.031 0.000 1.042 587 A HN 1.146 nan 8.150 nan 0.000 0.497 588 D N -0.625 119.764 120.400 -0.019 0.000 2.837 588 D HA -0.214 4.406 4.640 -0.033 0.000 0.230 588 D C 0.937 177.230 176.300 -0.012 0.000 1.152 588 D CA 2.140 56.130 54.000 -0.016 0.000 0.736 588 D CB -1.859 38.929 40.800 -0.019 0.000 1.084 588 D HN 1.993 nan 8.370 nan 0.000 0.429 589 G N 0.253 109.046 108.800 -0.010 0.000 2.186 589 G HA2 -0.413 3.527 3.960 -0.033 0.000 0.266 589 G HA3 -0.413 3.527 3.960 -0.033 0.000 0.266 589 G C 0.411 175.308 174.900 -0.004 0.000 0.982 589 G CA 0.934 46.030 45.100 -0.007 0.000 0.670 589 G HN 0.820 nan 8.290 nan 0.000 0.533 590 R N -0.140 120.356 120.500 -0.006 0.000 2.410 590 R HA 0.601 4.921 4.340 -0.033 0.000 0.288 590 R C -0.609 175.689 176.300 -0.003 0.000 1.051 590 R CA -0.285 55.814 56.100 -0.002 0.000 1.021 590 R CB 0.712 31.011 30.300 -0.002 0.000 1.032 590 R HN 0.046 nan 8.270 nan 0.000 0.481 591 T N 2.226 116.777 114.554 -0.005 0.000 2.875 591 T HA 0.415 4.745 4.350 -0.033 0.000 0.284 591 T C -0.174 174.502 174.700 -0.040 0.000 0.995 591 T CA -0.663 61.425 62.100 -0.021 0.000 1.060 591 T CB 1.471 70.326 68.868 -0.022 0.000 0.967 591 T HN 0.579 nan 8.240 nan 0.000 0.476 592 V N 1.263 121.130 119.914 -0.078 0.000 3.007 592 V HA 0.830 4.930 4.120 -0.033 0.000 0.311 592 V C -0.979 174.952 176.094 -0.271 0.000 1.120 592 V CA -1.404 60.808 62.300 -0.147 0.000 0.980 592 V CB 2.103 33.892 31.823 -0.057 0.000 1.033 592 V HN 0.822 nan 8.190 nan 0.000 0.429 593 M N 3.695 122.974 119.600 -0.535 0.000 2.061 593 M HA 0.542 5.002 4.480 -0.033 0.000 0.346 593 M C -0.869 175.101 176.300 -0.549 0.000 1.112 593 M CA 0.123 55.041 55.300 -0.638 0.000 1.021 593 M CB 0.383 32.317 32.600 -1.110 0.000 1.530 593 M HN 0.805 nan 8.290 nan 0.000 0.437 594 D N 4.063 124.289 120.400 -0.290 0.000 2.264 594 D HA 0.263 4.883 4.640 -0.033 0.000 0.250 594 D C -0.758 175.414 176.300 -0.214 0.000 1.113 594 D CA -0.007 53.887 54.000 -0.177 0.000 0.871 594 D CB 1.511 42.340 40.800 0.048 0.000 1.167 594 D HN 0.321 nan 8.370 nan 0.000 0.447 595 V N 4.880 124.676 119.914 -0.196 0.000 2.294 595 V HA 0.293 4.393 4.120 -0.033 0.000 0.272 595 V C 0.609 176.696 176.094 -0.012 0.000 1.027 595 V CA -0.573 61.714 62.300 -0.022 0.000 0.823 595 V CB 0.266 32.215 31.823 0.211 0.000 1.030 595 V HN 0.380 nan 8.190 nan 0.000 0.457 596 I N 2.532 123.084 120.570 -0.029 0.000 3.133 596 I HA 1.013 5.164 4.170 -0.033 0.000 0.311 596 I C -0.097 176.232 176.117 0.354 0.000 1.072 596 I CA -0.520 60.826 61.300 0.076 0.000 1.015 596 I CB 2.614 40.439 38.000 -0.292 0.000 1.233 596 I HN 0.575 nan 8.210 nan 0.000 0.473 597 S N 1.941 117.947 115.700 0.510 0.000 2.638 597 S HA 0.783 5.234 4.470 -0.033 0.000 0.274 597 S C -0.904 173.975 174.600 0.465 0.000 1.157 597 S CA -0.877 57.638 58.200 0.524 0.000 0.826 597 S CB 2.552 66.019 63.200 0.445 0.000 1.139 597 S HN 0.984 nan 8.310 nan 0.000 0.474 598 R N -0.101 120.530 120.500 0.217 0.000 2.774 598 R HA 0.650 4.970 4.340 -0.033 0.000 0.272 598 R C -1.712 174.544 176.300 -0.075 0.000 1.000 598 R CA -0.467 55.564 56.100 -0.115 0.000 0.906 598 R CB 1.905 31.821 30.300 -0.641 0.000 1.227 598 R HN 0.817 nan 8.270 nan 0.000 0.468 599 E N 1.191 121.311 120.200 -0.133 0.000 2.231 599 E HA 0.187 4.518 4.350 -0.033 0.000 0.277 599 E C -0.931 175.541 176.600 -0.214 0.000 0.999 599 E CA -0.085 56.222 56.400 -0.155 0.000 0.827 599 E CB 0.839 30.494 29.700 -0.075 0.000 1.101 599 E HN 0.549 nan 8.360 nan 0.000 0.393 600 D N 2.592 122.824 120.400 -0.279 0.000 2.697 600 D HA -0.193 4.427 4.640 -0.033 0.000 0.235 600 D C -0.447 175.752 176.300 -0.169 0.000 1.167 600 D CA 0.613 54.489 54.000 -0.206 0.000 0.656 600 D CB -0.274 40.439 40.800 -0.145 0.000 1.025 600 D HN 0.402 nan 8.370 nan 0.000 0.419 601 Q N -0.149 119.546 119.800 -0.174 0.000 2.382 601 Q HA 0.184 4.505 4.340 -0.033 0.000 0.229 601 Q C 1.750 177.684 176.000 -0.110 0.000 1.006 601 Q CA -0.117 55.596 55.803 -0.150 0.000 0.916 601 Q CB 0.822 29.473 28.738 -0.147 0.000 1.235 601 Q HN 0.358 nan 8.270 nan 0.000 0.512 602 R N 0.205 120.650 120.500 -0.093 0.000 2.132 602 R HA -0.051 4.269 4.340 -0.033 0.000 0.233 602 R C 1.237 177.446 176.300 -0.152 0.000 1.125 602 R CA 1.645 57.700 56.100 -0.076 0.000 0.914 602 R CB -0.838 29.453 30.300 -0.015 0.000 0.845 602 R HN 0.734 nan 8.270 nan 0.000 0.431 603 G N -2.186 106.477 108.800 -0.229 0.000 2.492 603 G HA2 0.357 4.298 3.960 -0.033 0.000 0.065 603 G HA3 0.357 4.298 3.960 -0.033 0.000 0.065 603 G C -1.069 173.586 174.900 -0.409 0.000 0.956 603 G CA -0.127 44.640 45.100 -0.555 0.000 1.223 603 G HN 0.767 nan 8.290 nan 0.000 0.511 604 S N -2.138 113.326 115.700 -0.393 0.000 2.625 604 S HA 0.513 4.964 4.470 -0.033 0.000 0.268 604 S C 0.534 175.194 174.600 0.100 0.000 1.075 604 S CA 0.676 58.929 58.200 0.089 0.000 0.936 604 S CB 0.324 63.688 63.200 0.274 0.000 1.190 604 S HN 2.626 nan 8.310 nan 0.000 0.474 605 G N 0.974 109.917 108.800 0.240 0.000 2.325 605 G HA2 -0.218 3.722 3.960 -0.033 0.000 0.274 605 G HA3 -0.218 3.722 3.960 -0.033 0.000 0.274 605 G C 0.308 175.299 174.900 0.152 0.000 0.921 605 G CA 0.706 45.919 45.100 0.188 0.000 1.340 605 G HN 0.928 nan 8.290 nan 0.000 0.447 606 Q N -0.724 119.175 119.800 0.166 0.000 2.595 606 Q HA -0.042 4.279 4.340 -0.033 0.000 0.219 606 Q C 2.454 178.520 176.000 0.110 0.000 0.984 606 Q CA 1.429 57.317 55.803 0.142 0.000 0.910 606 Q CB -0.041 28.789 28.738 0.153 0.000 0.956 606 Q HN 0.671 nan 8.270 nan 0.000 0.533 607 V N -2.264 117.712 119.914 0.102 0.000 2.672 607 V HA -0.091 4.009 4.120 -0.033 0.000 0.242 607 V C 1.689 177.857 176.094 0.124 0.000 1.059 607 V CA 0.838 63.187 62.300 0.081 0.000 1.081 607 V CB 0.219 32.085 31.823 0.071 0.000 0.752 607 V HN 0.133 nan 8.190 nan 0.000 0.472 608 V N -0.176 119.811 119.914 0.122 0.000 2.453 608 V HA -0.211 3.889 4.120 -0.033 0.000 0.247 608 V C 2.562 178.709 176.094 0.089 0.000 1.048 608 V CA 2.446 64.811 62.300 0.108 0.000 1.049 608 V CB -0.909 31.023 31.823 0.183 0.000 0.672 608 V HN 0.570 nan 8.190 nan 0.000 0.457 609 T N -0.506 114.090 114.554 0.069 0.000 2.684 609 T HA -0.274 4.056 4.350 -0.033 0.000 0.267 609 T C 1.761 176.534 174.700 0.122 0.000 1.036 609 T CA 2.327 64.462 62.100 0.059 0.000 1.148 609 T CB -0.410 68.501 68.868 0.071 0.000 0.863 609 T HN 0.611 nan 8.240 nan 0.000 0.436 610 Y N 1.958 122.271 120.300 0.021 0.000 2.181 610 Y HA -0.072 4.458 4.550 -0.033 0.000 0.288 610 Y C 2.471 178.391 175.900 0.035 0.000 1.146 610 Y CA 1.037 59.138 58.100 0.001 0.000 1.164 610 Y CB -0.642 37.760 38.460 -0.096 0.000 0.982 610 Y HN 0.181 nan 8.280 nan 0.000 0.515 611 A N 0.412 123.284 122.820 0.087 0.000 1.877 611 A HA -0.138 4.162 4.320 -0.033 0.000 0.216 611 A C 2.280 179.887 177.584 0.038 0.000 1.186 611 A CA 1.820 53.880 52.037 0.038 0.000 0.620 611 A CB -1.111 17.939 19.000 0.083 0.000 0.822 611 A HN 0.551 nan 8.150 nan 0.000 0.443 612 L N -0.447 120.822 121.223 0.078 0.000 2.093 612 L HA -0.177 4.144 4.340 -0.033 0.000 0.208 612 L C 2.313 179.305 176.870 0.203 0.000 1.085 612 L CA 1.147 56.072 54.840 0.142 0.000 0.755 612 L CB -0.670 41.465 42.059 0.127 0.000 0.904 612 L HN 0.347 nan 8.230 nan 0.000 0.435 613 N N -0.392 118.388 118.700 0.133 0.000 2.120 613 N HA -0.134 4.586 4.740 -0.033 0.000 0.188 613 N C 1.854 177.370 175.510 0.009 0.000 1.024 613 N CA 1.756 54.911 53.050 0.174 0.000 0.852 613 N CB -0.405 38.111 38.487 0.049 0.000 1.003 613 N HN 0.233 nan 8.380 nan 0.000 0.424 614 T N 0.679 115.144 114.554 -0.148 0.000 2.708 614 T HA -0.107 4.224 4.350 -0.033 0.000 0.266 614 T C 1.678 176.372 174.700 -0.011 0.000 1.037 614 T CA 0.802 62.799 62.100 -0.173 0.000 1.146 614 T CB -0.474 68.211 68.868 -0.304 0.000 0.865 614 T HN 0.246 nan 8.240 nan 0.000 0.435 615 F N 2.109 122.007 119.950 -0.086 0.000 2.069 615 F HA -0.192 4.315 4.527 -0.033 0.000 0.298 615 F C 2.456 178.239 175.800 -0.029 0.000 1.113 615 F CA 1.625 59.557 58.000 -0.113 0.000 1.214 615 F CB -0.833 38.028 39.000 -0.231 0.000 0.978 615 F HN 0.046 nan 8.300 nan 0.000 0.474 616 T N 0.136 114.832 114.554 0.237 0.000 2.746 616 T HA -0.240 4.090 4.350 -0.033 0.000 0.267 616 T C 1.867 176.693 174.700 0.211 0.000 1.039 616 T CA 1.723 63.963 62.100 0.233 0.000 1.142 616 T CB -0.673 68.451 68.868 0.426 0.000 0.866 616 T HN 0.457 nan 8.240 nan 0.000 0.444 617 N N 0.365 119.201 118.700 0.226 0.000 2.166 617 N HA -0.019 4.701 4.740 -0.033 0.000 0.186 617 N C 1.885 177.419 175.510 0.040 0.000 1.019 617 N CA 0.608 53.737 53.050 0.132 0.000 0.856 617 N CB -0.117 38.239 38.487 -0.218 0.000 0.993 617 N HN 0.304 nan 8.380 nan 0.000 0.426 618 L N 0.665 121.860 121.223 -0.048 0.000 2.017 618 L HA -0.167 4.153 4.340 -0.033 0.000 0.208 618 L C 2.610 179.434 176.870 -0.076 0.000 1.073 618 L CA 1.269 56.070 54.840 -0.066 0.000 0.745 618 L CB -0.488 41.502 42.059 -0.115 0.000 0.894 618 L HN 0.234 nan 8.230 nan 0.000 0.432 619 A N -0.455 122.258 122.820 -0.179 0.000 1.877 619 A HA -0.157 4.143 4.320 -0.033 0.000 0.216 619 A C 2.321 179.898 177.584 -0.012 0.000 1.186 619 A CA 1.774 53.727 52.037 -0.140 0.000 0.620 619 A CB -0.872 17.979 19.000 -0.248 0.000 0.822 619 A HN 0.189 nan 8.150 nan 0.000 0.443 620 V N 0.226 120.169 119.914 0.050 0.000 2.287 620 V HA -0.296 3.804 4.120 -0.033 0.000 0.248 620 V C 2.756 178.902 176.094 0.087 0.000 1.053 620 V CA 2.180 64.540 62.300 0.099 0.000 1.027 620 V CB -0.777 31.168 31.823 0.202 0.000 0.646 620 V HN 0.559 nan 8.190 nan 0.000 0.447 621 Q N -0.993 118.869 119.800 0.104 0.000 2.119 621 Q HA -0.109 4.211 4.340 -0.033 0.000 0.201 621 Q C 2.175 178.256 176.000 0.135 0.000 0.972 621 Q CA 1.171 57.063 55.803 0.148 0.000 0.847 621 Q CB -0.615 28.211 28.738 0.146 0.000 0.903 621 Q HN 0.420 nan 8.270 nan 0.000 0.433 622 L N -0.073 121.201 121.223 0.084 0.000 2.046 622 L HA -0.122 4.198 4.340 -0.033 0.000 0.208 622 L C 2.339 179.185 176.870 -0.038 0.000 1.077 622 L CA 1.166 56.066 54.840 0.101 0.000 0.747 622 L CB -1.043 41.071 42.059 0.091 0.000 0.896 622 L HN -0.006 nan 8.230 nan 0.000 0.432 623 V N -0.503 119.366 119.914 -0.075 0.000 2.295 623 V HA -0.289 3.811 4.120 -0.033 0.000 0.246 623 V C 2.706 178.665 176.094 -0.225 0.000 1.049 623 V CA 1.890 64.074 62.300 -0.194 0.000 1.024 623 V CB -0.643 31.125 31.823 -0.093 0.000 0.648 623 V HN 0.461 nan 8.190 nan 0.000 0.447 624 R N -0.414 120.027 120.500 -0.098 0.000 2.105 624 R HA -0.158 4.163 4.340 -0.033 0.000 0.239 624 R C 2.255 178.500 176.300 -0.091 0.000 1.135 624 R CA 1.799 57.813 56.100 -0.143 0.000 0.967 624 R CB -0.241 29.942 30.300 -0.195 0.000 0.861 624 R HN 0.429 nan 8.270 nan 0.000 0.442 625 M N -0.350 119.292 119.600 0.070 0.000 2.132 625 M HA -0.148 4.312 4.480 -0.033 0.000 0.263 625 M C 2.409 178.614 176.300 -0.157 0.000 1.065 625 M CA 1.582 56.974 55.300 0.152 0.000 1.122 625 M CB -0.126 32.626 32.600 0.253 0.000 1.365 625 M HN 0.273 nan 8.290 nan 0.000 0.411 626 M N -0.132 119.132 119.600 -0.559 0.000 2.108 626 M HA -0.271 4.189 4.480 -0.033 0.000 0.261 626 M C 2.099 178.056 176.300 -0.573 0.000 1.066 626 M CA 1.840 56.541 55.300 -0.998 0.000 1.107 626 M CB -0.271 31.657 32.600 -1.121 0.000 1.356 626 M HN 0.269 nan 8.290 nan 0.000 0.406 627 E N -0.640 119.305 120.200 -0.426 0.000 2.047 627 E HA -0.158 4.172 4.350 -0.033 0.000 0.191 627 E C 1.885 178.392 176.600 -0.155 0.000 0.987 627 E CA 1.318 57.546 56.400 -0.286 0.000 0.799 627 E CB -0.286 29.293 29.700 -0.202 0.000 0.752 627 E HN 0.589 nan 8.360 nan 0.000 0.449 628 G N 0.699 109.436 108.800 -0.105 0.000 2.475 628 G HA2 -0.283 3.657 3.960 -0.033 0.000 0.220 628 G HA3 -0.283 3.657 3.960 -0.033 0.000 0.220 628 G C 1.161 176.063 174.900 0.004 0.000 1.125 628 G CA 0.913 46.008 45.100 -0.008 0.000 0.755 628 G HN 0.346 nan 8.290 nan 0.000 0.565 629 E N -0.249 119.930 120.200 -0.036 0.000 2.489 629 E HA 0.283 4.614 4.350 -0.033 0.000 0.193 629 E C 1.673 178.245 176.600 -0.047 0.000 1.057 629 E CA 0.137 56.534 56.400 -0.005 0.000 0.866 629 E CB 0.032 29.770 29.700 0.063 0.000 0.916 629 E HN 0.398 nan 8.360 nan 0.000 0.500 630 G N 0.858 109.604 108.800 -0.090 0.000 2.143 630 G HA2 -0.295 3.646 3.960 -0.033 0.000 0.248 630 G HA3 -0.295 3.646 3.960 -0.033 0.000 0.248 630 G C 0.956 175.783 174.900 -0.121 0.000 0.991 630 G CA 0.416 45.465 45.100 -0.085 0.000 0.689 630 G HN 0.251 nan 8.290 nan 0.000 0.522 631 V N 0.272 120.057 119.914 -0.216 0.000 2.591 631 V HA 0.210 4.311 4.120 -0.033 0.000 0.249 631 V C 1.561 177.522 176.094 -0.222 0.000 1.053 631 V CA 2.041 64.198 62.300 -0.238 0.000 1.068 631 V CB -0.504 31.062 31.823 -0.429 0.000 0.689 631 V HN 0.815 nan 8.190 nan 0.000 0.462 632 I N -3.007 117.402 120.570 -0.268 0.000 3.074 632 I HA 0.928 5.079 4.170 -0.033 0.000 0.310 632 I C -0.198 175.850 176.117 -0.116 0.000 1.153 632 I CA -0.641 60.525 61.300 -0.224 0.000 0.993 632 I CB 2.149 39.862 38.000 -0.478 0.000 1.237 632 I HN 0.011 nan 8.210 nan 0.000 0.443 633 G N 1.470 110.292 108.800 0.036 0.000 2.749 633 G HA2 0.555 4.495 3.960 -0.033 0.000 0.300 633 G HA3 0.555 4.495 3.960 -0.033 0.000 0.300 633 G C -2.693 172.240 174.900 0.056 0.000 1.352 633 G CA -0.883 44.238 45.100 0.035 0.000 0.789 633 G HN 0.384 nan 8.290 nan 0.000 0.509 634 P HA -0.076 nan 4.420 nan 0.000 0.218 634 P C 0.627 177.830 177.300 -0.162 0.000 1.146 634 P CA 1.192 64.059 63.100 -0.389 0.000 0.813 634 P CB 0.249 31.548 31.700 -0.668 0.000 0.778 635 D N -0.595 119.745 120.400 -0.100 0.000 2.277 635 D HA -0.073 4.547 4.640 -0.033 0.000 0.208 635 D C 1.286 177.570 176.300 -0.028 0.000 0.962 635 D CA 0.865 54.827 54.000 -0.063 0.000 0.865 635 D CB -0.348 40.420 40.800 -0.054 0.000 0.939 635 D HN 0.271 nan 8.370 nan 0.000 0.510 636 D N -0.059 120.361 120.400 0.033 0.000 2.350 636 D HA 0.007 4.627 4.640 -0.033 0.000 0.213 636 D C 2.074 178.393 176.300 0.031 0.000 1.031 636 D CA 0.023 54.082 54.000 0.098 0.000 0.861 636 D CB 1.016 41.957 40.800 0.235 0.000 0.926 636 D HN 0.039 nan 8.370 nan 0.000 0.520 637 V N 1.519 121.339 119.914 -0.158 0.000 2.220 637 V HA -0.271 3.830 4.120 -0.033 0.000 0.246 637 V C 2.542 178.504 176.094 -0.220 0.000 1.049 637 V CA 1.943 63.993 62.300 -0.417 0.000 1.003 637 V CB -0.360 31.263 31.823 -0.332 0.000 0.634 637 V HN 0.150 nan 8.190 nan 0.000 0.444 638 E N -0.356 119.771 120.200 -0.122 0.000 2.047 638 E HA -0.116 4.214 4.350 -0.033 0.000 0.191 638 E C 0.912 177.482 176.600 -0.051 0.000 0.987 638 E CA 1.020 57.374 56.400 -0.075 0.000 0.799 638 E CB 0.269 29.936 29.700 -0.055 0.000 0.752 638 E HN 0.396 nan 8.360 nan 0.000 0.449 639 K N 0.092 120.464 120.400 -0.046 0.000 2.581 639 K HA 0.245 4.545 4.320 -0.033 0.000 0.249 639 K C -1.681 174.894 176.600 -0.042 0.000 0.966 639 K CA -0.671 55.592 56.287 -0.040 0.000 0.811 639 K CB 1.630 34.107 32.500 -0.039 0.000 1.223 639 K HN -0.033 nan 8.250 nan 0.000 0.438 640 L N 3.344 124.530 121.223 -0.061 0.000 2.525 640 L HA 0.093 4.414 4.340 -0.033 0.000 0.278 640 L C 0.614 177.434 176.870 -0.083 0.000 1.218 640 L CA 0.941 55.737 54.840 -0.073 0.000 0.878 640 L CB 0.514 42.451 42.059 -0.203 0.000 1.127 640 L HN 0.883 nan 8.230 nan 0.000 0.492 641 T N 1.695 116.217 114.554 -0.053 0.000 2.900 641 T HA 0.194 4.524 4.350 -0.033 0.000 0.326 641 T C 0.442 175.110 174.700 -0.054 0.000 1.145 641 T CA -0.392 61.678 62.100 -0.049 0.000 0.963 641 T CB 0.078 68.925 68.868 -0.035 0.000 1.512 641 T HN 0.626 nan 8.240 nan 0.000 0.552 642 K N 0.805 121.181 120.400 -0.040 0.000 4.391 642 K HA -0.137 4.163 4.320 -0.033 0.000 0.257 642 K C 0.906 177.487 176.600 -0.031 0.000 0.667 642 K CA 0.730 56.998 56.287 -0.032 0.000 0.542 642 K CB -2.530 29.955 32.500 -0.026 0.000 2.054 642 K HN 1.432 nan 8.250 nan 0.000 0.397 643 G N 2.081 110.856 108.800 -0.041 0.000 2.325 643 G HA2 -0.305 3.636 3.960 -0.033 0.000 0.274 643 G HA3 -0.305 3.636 3.960 -0.033 0.000 0.274 643 G C 0.255 175.139 174.900 -0.026 0.000 0.921 643 G CA 0.695 45.774 45.100 -0.036 0.000 1.340 643 G HN 0.790 nan 8.290 nan 0.000 0.447 644 K N 0.517 120.893 120.400 -0.039 0.000 2.734 644 K HA 0.374 4.674 4.320 -0.033 0.000 0.200 644 K C 1.564 178.163 176.600 -0.003 0.000 1.120 644 K CA 0.269 56.545 56.287 -0.019 0.000 1.067 644 K CB 0.557 33.041 32.500 -0.026 0.000 0.771 644 K HN 0.453 nan 8.250 nan 0.000 0.481 645 G N 2.311 111.110 108.800 -0.001 0.000 2.408 645 G HA2 -0.102 3.838 3.960 -0.033 0.000 0.217 645 G HA3 -0.102 3.838 3.960 -0.033 0.000 0.217 645 G C -0.963 174.027 174.900 0.150 0.000 1.150 645 G CA 0.462 45.627 45.100 0.108 0.000 0.776 645 G HN 0.288 nan 8.290 nan 0.000 0.542 646 P HA 0.025 nan 4.420 nan 0.000 0.221 646 P C 1.780 179.128 177.300 0.080 0.000 1.150 646 P CA 0.959 64.114 63.100 0.091 0.000 0.800 646 P CB 0.091 31.831 31.700 0.066 0.000 0.787 647 K N -0.637 119.800 120.400 0.061 0.000 2.097 647 K HA -0.045 4.255 4.320 -0.033 0.000 0.205 647 K C 1.903 178.550 176.600 0.078 0.000 1.050 647 K CA 1.157 57.478 56.287 0.056 0.000 0.938 647 K CB -0.868 31.646 32.500 0.023 0.000 0.718 647 K HN 0.048 nan 8.250 nan 0.000 0.442 648 V N 1.588 121.539 119.914 0.062 0.000 2.358 648 V HA -0.212 3.889 4.120 -0.033 0.000 0.246 648 V C 2.284 178.445 176.094 0.111 0.000 1.047 648 V CA 1.597 63.929 62.300 0.055 0.000 1.035 648 V CB -0.483 31.369 31.823 0.048 0.000 0.658 648 V HN 0.276 nan 8.190 nan 0.000 0.452 649 R N -0.470 120.098 120.500 0.114 0.000 2.115 649 R HA -0.111 4.210 4.340 -0.033 0.000 0.230 649 R C 2.415 178.764 176.300 0.081 0.000 1.111 649 R CA 1.767 57.931 56.100 0.107 0.000 0.976 649 R CB -0.511 29.862 30.300 0.122 0.000 0.870 649 R HN 0.490 nan 8.270 nan 0.000 0.445 650 T N -0.170 114.436 114.554 0.088 0.000 2.737 650 T HA -0.181 4.149 4.350 -0.033 0.000 0.265 650 T C 1.173 175.896 174.700 0.038 0.000 1.038 650 T CA 1.167 63.303 62.100 0.061 0.000 1.144 650 T CB -0.262 68.644 68.868 0.064 0.000 0.866 650 T HN 0.467 nan 8.240 nan 0.000 0.434 651 W N 1.580 122.812 121.300 -0.114 0.000 2.355 651 W HA -0.057 4.583 4.660 -0.033 0.000 0.309 651 W C 1.747 178.093 176.519 -0.288 0.000 1.206 651 W CA 0.939 58.186 57.345 -0.164 0.000 1.284 651 W CB -0.434 28.936 29.460 -0.150 0.000 1.145 651 W HN 0.151 nan 8.180 nan 0.000 0.502 652 L N -0.270 120.938 121.223 -0.025 0.000 2.046 652 L HA -0.248 4.072 4.340 -0.033 0.000 0.208 652 L C 2.783 179.098 176.870 -0.924 0.000 1.077 652 L CA 1.631 56.115 54.840 -0.593 0.000 0.747 652 L CB -1.190 40.585 42.059 -0.474 0.000 0.896 652 L HN -0.050 nan 8.230 nan 0.000 0.432 653 S N -0.163 115.320 115.700 -0.361 0.000 2.348 653 S HA -0.205 4.246 4.470 -0.033 0.000 0.221 653 S C 1.814 176.350 174.600 -0.106 0.000 1.033 653 S CA 1.798 59.961 58.200 -0.063 0.000 1.010 653 S CB -0.076 63.160 63.200 0.061 0.000 0.891 653 S HN 0.641 nan 8.310 nan 0.000 0.442 654 E N -0.204 119.873 120.200 -0.204 0.000 2.318 654 E HA 0.097 4.428 4.350 -0.033 0.000 0.193 654 E C 1.196 177.586 176.600 -0.351 0.000 0.998 654 E CA 0.572 56.850 56.400 -0.204 0.000 0.859 654 E CB -0.083 29.530 29.700 -0.145 0.000 0.812 654 E HN 0.388 nan 8.360 nan 0.000 0.492 655 N N 0.672 118.982 118.700 -0.650 0.000 2.332 655 N HA 0.044 4.765 4.740 -0.033 0.000 0.190 655 N C 1.822 176.799 175.510 -0.889 0.000 1.117 655 N CA 0.759 53.306 53.050 -0.838 0.000 0.883 655 N CB 0.339 38.049 38.487 -1.295 0.000 1.089 655 N HN 0.258 nan 8.380 nan 0.000 0.480 656 G N 1.953 110.121 108.800 -1.053 0.000 2.574 656 G HA2 -0.349 3.592 3.960 -0.033 0.000 0.220 656 G HA3 -0.349 3.592 3.960 -0.033 0.000 0.220 656 G C 1.370 175.948 174.900 -0.537 0.000 1.173 656 G CA 1.334 45.764 45.100 -1.117 0.000 0.772 656 G HN 0.426 nan 8.290 nan 0.000 0.585 657 E N -0.262 119.756 120.200 -0.302 0.000 2.072 657 E HA -0.130 4.201 4.350 -0.033 0.000 0.191 657 E C 2.362 178.875 176.600 -0.146 0.000 0.985 657 E CA 1.062 57.336 56.400 -0.210 0.000 0.801 657 E CB -0.169 29.489 29.700 -0.070 0.000 0.750 657 E HN 0.469 nan 8.360 nan 0.000 0.452 658 E N 0.762 120.859 120.200 -0.173 0.000 2.047 658 E HA -0.206 4.124 4.350 -0.033 0.000 0.191 658 E C 2.170 178.690 176.600 -0.134 0.000 0.987 658 E CA 0.941 57.263 56.400 -0.131 0.000 0.799 658 E CB -0.048 29.562 29.700 -0.150 0.000 0.752 658 E HN 0.067 nan 8.360 nan 0.000 0.449 659 R N -0.070 120.305 120.500 -0.208 0.000 2.105 659 R HA -0.105 4.216 4.340 -0.033 0.000 0.239 659 R C 2.373 178.623 176.300 -0.083 0.000 1.135 659 R CA 0.716 56.728 56.100 -0.146 0.000 0.967 659 R CB -0.375 29.805 30.300 -0.199 0.000 0.861 659 R HN 0.155 nan 8.270 nan 0.000 0.442 660 L N 0.304 121.468 121.223 -0.098 0.000 2.131 660 L HA -0.103 4.217 4.340 -0.033 0.000 0.210 660 L C 1.938 178.799 176.870 -0.014 0.000 1.092 660 L CA 2.077 56.894 54.840 -0.037 0.000 0.759 660 L CB -0.934 41.105 42.059 -0.034 0.000 0.903 660 L HN 0.288 nan 8.230 nan 0.000 0.435 661 S N -1.339 114.347 115.700 -0.022 0.000 2.603 661 S HA -0.051 4.400 4.470 -0.033 0.000 0.229 661 S C 1.546 176.127 174.600 -0.031 0.000 0.972 661 S CA 0.152 58.347 58.200 -0.010 0.000 0.935 661 S CB -0.338 62.860 63.200 -0.003 0.000 0.769 661 S HN 0.466 nan 8.310 nan 0.000 0.536 662 R N -0.007 120.467 120.500 -0.043 0.000 2.507 662 R HA 0.461 4.781 4.340 -0.033 0.000 0.298 662 R C -0.259 175.998 176.300 -0.072 0.000 0.999 662 R CA 0.051 56.117 56.100 -0.056 0.000 1.082 662 R CB 0.138 30.406 30.300 -0.054 0.000 1.246 662 R HN 0.440 nan 8.270 nan 0.000 0.553 663 M N -0.234 119.329 119.600 -0.063 0.000 2.644 663 M HA 0.559 5.019 4.480 -0.033 0.000 0.304 663 M C -1.155 175.083 176.300 -0.102 0.000 1.215 663 M CA -0.910 54.344 55.300 -0.077 0.000 0.871 663 M CB 2.644 35.227 32.600 -0.030 0.000 1.740 663 M HN -0.081 nan 8.290 nan 0.000 0.464 664 A N 1.902 124.614 122.820 -0.181 0.000 2.522 664 A HA 0.698 4.998 4.320 -0.033 0.000 0.285 664 A C -1.343 176.171 177.584 -0.117 0.000 1.198 664 A CA -0.578 51.324 52.037 -0.224 0.000 0.742 664 A CB 0.778 19.425 19.000 -0.588 0.000 1.176 664 A HN 0.548 nan 8.150 nan 0.000 0.444 665 V N 1.634 121.613 119.914 0.109 0.000 2.409 665 V HA 0.679 4.780 4.120 -0.033 0.000 0.291 665 V C 0.270 176.510 176.094 0.242 0.000 1.020 665 V CA -0.377 62.024 62.300 0.169 0.000 0.848 665 V CB 1.751 33.602 31.823 0.046 0.000 0.990 665 V HN 0.816 nan 8.190 nan 0.000 0.430 666 S N 3.825 119.691 115.700 0.277 0.000 2.542 666 S HA 0.641 5.092 4.470 -0.033 0.000 0.245 666 S C 0.562 175.170 174.600 0.013 0.000 1.325 666 S CA 0.519 58.840 58.200 0.201 0.000 1.176 666 S CB 0.214 63.540 63.200 0.210 0.000 1.045 666 S HN 1.719 nan 8.310 nan 0.000 0.481 667 G N 4.988 113.609 108.800 -0.298 0.000 2.591 667 G HA2 -0.353 3.587 3.960 -0.033 0.000 0.298 667 G HA3 -0.353 3.587 3.960 -0.033 0.000 0.298 667 G C 0.355 174.974 174.900 -0.469 0.000 1.195 667 G CA 0.725 45.611 45.100 -0.357 0.000 0.989 667 G HN 0.829 nan 8.290 nan 0.000 0.551 668 D N 1.151 121.207 120.400 -0.574 0.000 2.349 668 D HA 0.227 4.847 4.640 -0.033 0.000 0.224 668 D C 0.465 176.541 176.300 -0.373 0.000 1.029 668 D CA 0.879 54.328 54.000 -0.919 0.000 0.879 668 D CB 0.069 40.312 40.800 -0.928 0.000 0.906 668 D HN 0.347 nan 8.370 nan 0.000 0.528 669 D N 0.063 120.381 120.400 -0.137 0.000 2.177 669 D HA 0.373 4.993 4.640 -0.033 0.000 0.247 669 D C -0.503 175.937 176.300 0.233 0.000 1.063 669 D CA -0.545 53.504 54.000 0.081 0.000 0.867 669 D CB 1.435 42.291 40.800 0.094 0.000 1.168 669 D HN 0.337 nan 8.370 nan 0.000 0.445 670 C N 1.003 120.459 119.300 0.261 0.000 3.239 670 C HA 0.857 5.298 4.460 -0.033 0.000 0.317 670 C C -1.438 173.580 174.990 0.047 0.000 1.310 670 C CA -0.691 58.424 59.018 0.162 0.000 1.371 670 C CB 0.900 28.690 27.740 0.083 0.000 1.714 670 C HN 0.322 nan 8.230 nan 0.000 0.473 671 V N 2.048 121.869 119.914 -0.155 0.000 2.623 671 V HA 0.745 4.845 4.120 -0.033 0.000 0.304 671 V C -0.644 175.386 176.094 -0.106 0.000 1.054 671 V CA -0.268 61.932 62.300 -0.167 0.000 0.882 671 V CB 1.604 33.169 31.823 -0.430 0.000 1.002 671 V HN 0.944 nan 8.190 nan 0.000 0.424 672 V N 4.049 123.950 119.914 -0.020 0.000 2.638 672 V HA 0.542 4.642 4.120 -0.033 0.000 0.306 672 V C -0.327 175.705 176.094 -0.104 0.000 1.052 672 V CA -0.924 61.319 62.300 -0.095 0.000 0.885 672 V CB 2.205 33.932 31.823 -0.160 0.000 0.999 672 V HN 0.824 nan 8.190 nan 0.000 0.424 673 K N 6.030 126.362 120.400 -0.115 0.000 2.478 673 K HA 0.444 4.744 4.320 -0.033 0.000 0.236 673 K C -2.597 173.938 176.600 -0.108 0.000 1.021 673 K CA -1.802 54.451 56.287 -0.058 0.000 1.010 673 K CB 1.745 34.238 32.500 -0.012 0.000 1.331 673 K HN 0.441 nan 8.250 nan 0.000 0.470 674 P HA -0.021 nan 4.420 nan 0.000 0.274 674 P C 0.712 178.008 177.300 -0.007 0.000 1.260 674 P CA -0.506 62.492 63.100 -0.171 0.000 0.793 674 P CB 0.845 32.350 31.700 -0.325 0.000 1.048 675 L N -0.062 121.183 121.223 0.036 0.000 2.131 675 L HA -0.056 4.264 4.340 -0.033 0.000 0.210 675 L C 0.917 177.833 176.870 0.077 0.000 1.092 675 L CA 2.261 57.136 54.840 0.058 0.000 0.759 675 L CB -1.181 40.922 42.059 0.074 0.000 0.903 675 L HN 0.633 nan 8.230 nan 0.000 0.435 676 D N -5.433 115.027 120.400 0.100 0.000 2.713 676 D HA 0.090 4.711 4.640 -0.033 0.000 0.306 676 D C -0.339 176.065 176.300 0.174 0.000 1.299 676 D CA -0.584 53.492 54.000 0.126 0.000 0.823 676 D CB 0.007 40.868 40.800 0.102 0.000 1.353 676 D HN -0.237 nan 8.370 nan 0.000 0.447 677 D N -0.657 119.860 120.400 0.196 0.000 2.338 677 D HA 0.035 4.655 4.640 -0.033 0.000 0.239 677 D C 1.038 177.438 176.300 0.166 0.000 1.095 677 D CA 0.192 54.340 54.000 0.247 0.000 0.888 677 D CB 0.138 41.103 40.800 0.275 0.000 0.899 677 D HN 0.281 nan 8.370 nan 0.000 0.525 678 R N -0.386 120.192 120.500 0.129 0.000 2.235 678 R HA -0.045 4.275 4.340 -0.033 0.000 0.213 678 R C 1.808 178.143 176.300 0.059 0.000 1.059 678 R CA 0.146 56.297 56.100 0.084 0.000 0.997 678 R CB -0.171 30.170 30.300 0.068 0.000 0.884 678 R HN 0.141 nan 8.270 nan 0.000 0.462 679 F N 1.384 121.264 119.950 -0.116 0.000 2.202 679 F HA -0.193 4.314 4.527 -0.033 0.000 0.301 679 F C 2.179 177.786 175.800 -0.322 0.000 1.082 679 F CA 1.317 59.174 58.000 -0.239 0.000 1.313 679 F CB -0.108 38.674 39.000 -0.364 0.000 1.024 679 F HN -0.015 nan 8.300 nan 0.000 0.495 680 A N -0.644 122.072 122.820 -0.173 0.000 1.972 680 A HA -0.187 4.113 4.320 -0.033 0.000 0.219 680 A C 2.059 179.585 177.584 -0.096 0.000 1.169 680 A CA 2.137 54.091 52.037 -0.138 0.000 0.635 680 A CB -1.342 17.719 19.000 0.102 0.000 0.810 680 A HN 0.493 nan 8.150 nan 0.000 0.446 681 T N -3.621 110.899 114.554 -0.056 0.000 3.069 681 T HA 0.199 4.529 4.350 -0.033 0.000 0.252 681 T C 0.898 175.598 174.700 0.001 0.000 1.053 681 T CA 0.640 62.740 62.100 0.001 0.000 0.964 681 T CB -0.221 68.681 68.868 0.055 0.000 1.005 681 T HN 0.304 nan 8.240 nan 0.000 0.532 682 S N 1.721 117.357 115.700 -0.107 0.000 3.900 682 S HA 0.314 4.764 4.470 -0.033 0.000 0.248 682 S C 0.590 175.109 174.600 -0.135 0.000 1.310 682 S CA -0.678 57.463 58.200 -0.098 0.000 0.915 682 S CB -1.128 61.935 63.200 -0.229 0.000 1.588 682 S HN 0.551 nan 8.310 nan 0.000 0.472 683 L N 3.185 124.397 121.223 -0.018 0.000 2.966 683 L HA 0.333 4.654 4.340 -0.033 0.000 0.262 683 L C 1.932 178.756 176.870 -0.076 0.000 1.165 683 L CA -0.410 54.353 54.840 -0.129 0.000 0.978 683 L CB -0.187 41.731 42.059 -0.235 0.000 1.337 683 L HN 0.541 nan 8.230 nan 0.000 0.563 684 H N -0.042 119.164 119.070 0.226 0.000 2.326 684 H HA -0.024 4.512 4.556 -0.032 0.000 0.301 684 H C 1.880 177.272 175.328 0.108 0.000 1.081 684 H CA 1.943 58.161 56.048 0.283 0.000 1.334 684 H CB 0.090 30.003 29.762 0.251 0.000 1.385 684 H HN 0.260 nan 8.280 nan 0.000 0.504 685 F N 0.340 120.353 119.950 0.106 0.000 2.234 685 F HA -0.081 4.426 4.527 -0.033 0.000 0.296 685 F C 2.471 178.255 175.800 -0.027 0.000 1.089 685 F CA 0.241 58.258 58.000 0.029 0.000 1.343 685 F CB -0.449 38.548 39.000 -0.005 0.000 1.040 685 F HN -0.004 nan 8.300 nan 0.000 0.498 686 L N 0.524 121.805 121.223 0.097 0.000 1.989 686 L HA -0.251 4.069 4.340 -0.033 0.000 0.211 686 L C 1.821 178.638 176.870 -0.089 0.000 1.071 686 L CA 2.094 56.923 54.840 -0.019 0.000 0.749 686 L CB -0.928 41.072 42.059 -0.098 0.000 0.890 686 L HN 0.102 nan 8.230 nan 0.000 0.431 687 N N -1.034 117.558 118.700 -0.179 0.000 2.244 687 N HA -0.102 4.619 4.740 -0.033 0.000 0.183 687 N C 1.686 177.112 175.510 -0.140 0.000 1.016 687 N CA 0.827 53.719 53.050 -0.262 0.000 0.866 687 N CB -0.201 37.937 38.487 -0.581 0.000 0.980 687 N HN 0.486 nan 8.380 nan 0.000 0.430 688 A N 0.525 123.294 122.820 -0.084 0.000 2.119 688 A HA 0.034 4.335 4.320 -0.033 0.000 0.217 688 A C 1.858 179.401 177.584 -0.067 0.000 1.153 688 A CA 0.771 52.763 52.037 -0.075 0.000 0.692 688 A CB -0.172 18.746 19.000 -0.136 0.000 0.799 688 A HN 0.221 nan 8.150 nan 0.000 0.458 689 M N -1.113 118.457 119.600 -0.050 0.000 2.561 689 M HA 0.061 4.521 4.480 -0.033 0.000 0.238 689 M C 0.691 176.943 176.300 -0.079 0.000 1.131 689 M CA 0.474 55.751 55.300 -0.039 0.000 1.046 689 M CB 0.136 32.737 32.600 0.002 0.000 1.532 689 M HN 0.333 nan 8.290 nan 0.000 0.497 690 S N -0.188 115.457 115.700 -0.090 0.000 3.018 690 S HA -0.084 4.367 4.470 -0.033 0.000 0.274 690 S C 0.274 174.803 174.600 -0.118 0.000 1.300 690 S CA 0.752 58.887 58.200 -0.108 0.000 1.179 690 S CB -0.821 62.311 63.200 -0.114 0.000 1.427 690 S HN 0.418 nan 8.310 nan 0.000 0.668 691 K N 1.984 122.324 120.400 -0.100 0.000 3.192 691 K HA 0.323 4.623 4.320 -0.033 0.000 0.269 691 K C -0.028 176.543 176.600 -0.048 0.000 1.270 691 K CA -0.042 56.211 56.287 -0.057 0.000 1.249 691 K CB -0.374 32.131 32.500 0.008 0.000 1.528 691 K HN 0.347 nan 8.250 nan 0.000 0.360 692 V N 2.092 121.957 119.914 -0.082 0.000 2.540 692 V HA -0.041 4.059 4.120 -0.033 0.000 0.297 692 V C 1.028 177.093 176.094 -0.049 0.000 1.024 692 V CA 0.056 62.290 62.300 -0.110 0.000 1.105 692 V CB -0.027 31.719 31.823 -0.128 0.000 0.938 692 V HN 0.418 nan 8.190 nan 0.000 0.482 693 R N 3.287 123.749 120.500 -0.062 0.000 2.679 693 R HA 0.216 4.536 4.340 -0.033 0.000 0.268 693 R C 0.118 176.421 176.300 0.005 0.000 1.044 693 R CA -0.419 55.678 56.100 -0.004 0.000 1.105 693 R CB 0.412 30.703 30.300 -0.016 0.000 0.989 693 R HN 0.634 nan 8.270 nan 0.000 0.447 694 K N 1.618 122.046 120.400 0.046 0.000 2.185 694 K HA -0.004 4.297 4.320 -0.033 0.000 0.271 694 K C -0.638 175.986 176.600 0.040 0.000 1.013 694 K CA -0.213 56.102 56.287 0.046 0.000 0.943 694 K CB 0.733 33.276 32.500 0.072 0.000 0.998 694 K HN 0.537 nan 8.250 nan 0.000 0.468 695 D N 1.244 121.661 120.400 0.029 0.000 2.723 695 D HA -0.235 4.386 4.640 -0.033 0.000 0.236 695 D C -0.751 175.559 176.300 0.017 0.000 1.138 695 D CA 1.342 55.358 54.000 0.027 0.000 0.676 695 D CB -1.117 39.709 40.800 0.042 0.000 1.069 695 D HN 0.574 nan 8.370 nan 0.000 0.430 696 I N -0.649 119.920 120.570 -0.001 0.000 2.771 696 I HA 0.063 4.213 4.170 -0.033 0.000 0.291 696 I C -0.847 175.249 176.117 -0.036 0.000 1.527 696 I CA -0.687 60.606 61.300 -0.012 0.000 1.024 696 I CB 1.579 39.574 38.000 -0.010 0.000 1.388 696 I HN -0.313 nan 8.210 nan 0.000 0.447 697 Q N 4.408 124.193 119.800 -0.026 0.000 2.315 697 Q HA 0.013 4.333 4.340 -0.033 0.000 0.289 697 Q C 0.940 176.882 176.000 -0.097 0.000 1.044 697 Q CA 0.798 56.582 55.803 -0.033 0.000 0.920 697 Q CB 0.921 29.666 28.738 0.011 0.000 1.214 697 Q HN 0.713 nan 8.270 nan 0.000 0.392 698 E N 2.196 122.291 120.200 -0.174 0.000 2.136 698 E HA -0.244 4.087 4.350 -0.033 0.000 0.208 698 E C 0.059 176.243 176.600 -0.694 0.000 1.035 698 E CA 1.962 58.082 56.400 -0.467 0.000 0.838 698 E CB 0.015 29.382 29.700 -0.556 0.000 0.748 698 E HN 0.716 nan 8.360 nan 0.000 0.459 699 W N 0.447 121.704 121.300 -0.071 0.000 3.123 699 W HA 0.266 4.907 4.660 -0.032 0.000 0.383 699 W C 0.145 176.625 176.519 -0.065 0.000 1.102 699 W CA -0.747 56.543 57.345 -0.092 0.000 1.865 699 W CB 0.472 29.873 29.460 -0.098 0.000 1.111 699 W HN -0.213 nan 8.180 nan 0.000 0.621 700 K N 2.415 122.857 120.400 0.070 0.000 2.316 700 K HA 0.188 4.488 4.320 -0.033 0.000 0.289 700 K C -2.215 174.398 176.600 0.020 0.000 1.070 700 K CA -1.858 54.458 56.287 0.049 0.000 0.928 700 K CB 0.716 33.230 32.500 0.023 0.000 1.039 700 K HN -0.288 nan 8.250 nan 0.000 0.480 701 P HA -0.052 nan 4.420 nan 0.000 0.266 701 P C -0.829 176.486 177.300 0.025 0.000 1.193 701 P CA 0.116 63.231 63.100 0.024 0.000 0.770 701 P CB 0.764 32.490 31.700 0.043 0.000 0.836 702 S N 0.662 116.384 115.700 0.036 0.000 2.600 702 S HA 0.366 4.816 4.470 -0.033 0.000 0.265 702 S C 0.099 174.792 174.600 0.156 0.000 1.325 702 S CA -0.048 58.211 58.200 0.100 0.000 1.002 702 S CB 0.091 63.384 63.200 0.156 0.000 0.921 702 S HN 0.423 nan 8.310 nan 0.000 0.554 703 T N 1.092 115.678 114.554 0.053 0.000 2.861 703 T HA 0.684 5.015 4.350 -0.033 0.000 0.287 703 T C 0.394 174.778 174.700 -0.528 0.000 1.003 703 T CA -0.717 61.278 62.100 -0.176 0.000 0.977 703 T CB 1.840 70.542 68.868 -0.277 0.000 0.996 703 T HN 0.691 nan 8.240 nan 0.000 0.448 704 G N 0.787 109.081 108.800 -0.842 0.000 3.217 704 G HA2 0.792 4.733 3.960 -0.033 0.000 0.213 704 G HA3 0.792 4.733 3.960 -0.033 0.000 0.213 704 G C -1.386 172.834 174.900 -1.133 0.000 1.294 704 G CA -0.909 43.486 45.100 -1.174 0.000 0.987 704 G HN 0.635 nan 8.290 nan 0.000 0.584 705 W N -2.271 118.775 121.300 -0.424 0.000 3.040 705 W HA 0.443 5.082 4.660 -0.035 0.000 0.344 705 W C -0.263 176.072 176.519 -0.307 0.000 1.201 705 W CA -0.455 56.665 57.345 -0.375 0.000 1.119 705 W CB 1.236 30.586 29.460 -0.184 0.000 1.478 705 W HN 0.458 nan 8.180 nan 0.000 0.586 706 Y N -0.078 120.328 120.300 0.177 0.000 2.539 706 Y HA 0.034 4.565 4.550 -0.032 0.000 0.284 706 Y C 1.003 176.959 175.900 0.093 0.000 1.134 706 Y CA 0.364 58.522 58.100 0.097 0.000 1.251 706 Y CB -0.373 38.117 38.460 0.051 0.000 1.260 706 Y HN 0.083 nan 8.280 nan 0.000 0.528 707 D N 1.447 121.970 120.400 0.205 0.000 2.352 707 D HA -0.033 4.588 4.640 -0.033 0.000 0.245 707 D C 1.168 177.413 176.300 -0.092 0.000 1.224 707 D CA -0.461 53.527 54.000 -0.020 0.000 0.879 707 D CB 0.206 40.946 40.800 -0.101 0.000 1.057 707 D HN 0.425 nan 8.370 nan 0.000 0.491 708 W N 3.420 124.722 121.300 0.004 0.000 2.392 708 W HA -0.132 4.509 4.660 -0.031 0.000 0.279 708 W C 0.810 177.286 176.519 -0.071 0.000 1.225 708 W CA -0.056 57.255 57.345 -0.057 0.000 1.233 708 W CB -0.541 28.887 29.460 -0.053 0.000 1.122 708 W HN 0.401 nan 8.180 nan 0.000 0.561 709 Q N 1.425 120.582 119.800 -1.073 0.000 2.585 709 Q HA -0.223 4.097 4.340 -0.033 0.000 0.219 709 Q C 1.922 177.693 176.000 -0.382 0.000 0.984 709 Q CA 1.943 57.119 55.803 -1.045 0.000 0.915 709 Q CB -0.086 27.995 28.738 -1.095 0.000 0.967 709 Q HN 0.734 nan 8.270 nan 0.000 0.530 710 Q N -1.845 117.774 119.800 -0.303 0.000 2.103 710 Q HA 0.180 4.501 4.340 -0.033 0.000 0.219 710 Q C -0.514 175.228 176.000 -0.429 0.000 0.784 710 Q CA -0.136 55.441 55.803 -0.376 0.000 1.014 710 Q CB 0.697 29.212 28.738 -0.372 0.000 1.183 710 Q HN -0.070 nan 8.270 nan 0.000 0.469 711 V N 4.203 123.946 119.914 -0.286 0.000 2.508 711 V HA 0.321 4.422 4.120 -0.033 0.000 0.281 711 V C -2.178 173.955 176.094 0.065 0.000 1.041 711 V CA -1.434 60.620 62.300 -0.410 0.000 1.016 711 V CB 0.793 32.438 31.823 -0.296 0.000 0.984 711 V HN 0.273 nan 8.190 nan 0.000 0.478 712 P HA 0.461 nan 4.420 nan 0.000 0.290 712 P C -1.117 176.305 177.300 0.205 0.000 1.276 712 P CA -0.395 62.685 63.100 -0.032 0.000 0.808 712 P CB 0.764 32.302 31.700 -0.270 0.000 0.966 713 F N 3.812 123.832 119.950 0.115 0.000 2.630 713 F HA 0.266 4.773 4.527 -0.033 0.000 0.325 713 F C -0.729 175.213 175.800 0.237 0.000 1.184 713 F CA -1.007 57.107 58.000 0.189 0.000 1.011 713 F CB 0.674 39.805 39.000 0.218 0.000 1.268 713 F HN 0.537 nan 8.300 nan 0.000 0.480 714 C N 4.182 123.321 119.300 -0.269 0.000 4.424 714 C HA -0.122 4.319 4.460 -0.033 0.000 0.304 714 C C 1.102 176.049 174.990 -0.071 0.000 1.344 714 C CA 0.822 59.689 59.018 -0.253 0.000 2.033 714 C CB -3.215 24.298 27.740 -0.379 0.000 1.264 714 C HN 1.283 nan 8.230 nan 0.000 0.750 715 S N -1.287 114.380 115.700 -0.055 0.000 3.521 715 S HA -0.216 4.234 4.470 -0.033 0.000 0.328 715 S C -0.213 174.306 174.600 -0.136 0.000 1.165 715 S CA 1.481 59.638 58.200 -0.072 0.000 0.941 715 S CB -0.988 62.199 63.200 -0.022 0.000 0.951 715 S HN 0.911 nan 8.310 nan 0.000 0.539 716 N N 0.112 118.692 118.700 -0.199 0.000 2.329 716 N HA 0.303 5.023 4.740 -0.033 0.000 0.282 716 N C -1.664 173.567 175.510 -0.464 0.000 1.198 716 N CA -0.619 52.212 53.050 -0.366 0.000 0.790 716 N CB 1.245 39.417 38.487 -0.524 0.000 1.579 716 N HN 0.114 nan 8.380 nan 0.000 0.475 717 H N 1.335 120.208 119.070 -0.329 0.000 2.551 717 H HA 0.341 4.877 4.556 -0.034 0.000 0.321 717 H C -0.684 174.486 175.328 -0.263 0.000 1.028 717 H CA -0.206 55.733 56.048 -0.182 0.000 1.215 717 H CB 0.329 30.029 29.762 -0.103 0.000 1.414 717 H HN 0.367 nan 8.280 nan 0.000 0.480 718 F N 1.862 121.943 119.950 0.219 0.000 2.410 718 F HA 0.274 4.782 4.527 -0.031 0.000 0.348 718 F C 1.046 176.936 175.800 0.151 0.000 1.106 718 F CA -0.234 57.877 58.000 0.185 0.000 1.163 718 F CB 1.015 40.123 39.000 0.181 0.000 1.129 718 F HN 0.232 nan 8.300 nan 0.000 0.516 719 T N 1.143 115.820 114.554 0.204 0.000 2.908 719 T HA 0.368 4.699 4.350 -0.033 0.000 0.290 719 T C -0.707 174.031 174.700 0.063 0.000 1.034 719 T CA -1.078 61.058 62.100 0.061 0.000 1.010 719 T CB 1.734 70.603 68.868 0.002 0.000 1.068 719 T HN 0.448 nan 8.240 nan 0.000 0.481 720 E N 1.281 121.494 120.200 0.023 0.000 2.200 720 E HA 0.428 4.758 4.350 -0.033 0.000 0.283 720 E C -1.043 175.565 176.600 0.013 0.000 1.015 720 E CA -0.416 56.018 56.400 0.056 0.000 0.819 720 E CB 0.931 30.682 29.700 0.084 0.000 1.081 720 E HN 0.367 nan 8.360 nan 0.000 0.397 721 L N 5.270 126.502 121.223 0.015 0.000 2.333 721 L HA 0.476 4.797 4.340 -0.033 0.000 0.280 721 L C -0.736 176.168 176.870 0.058 0.000 1.004 721 L CA -0.795 54.053 54.840 0.013 0.000 0.820 721 L CB 1.355 43.387 42.059 -0.045 0.000 1.247 721 L HN 0.495 nan 8.230 nan 0.000 0.416 722 I N 4.353 124.960 120.570 0.060 0.000 2.312 722 I HA 0.270 4.420 4.170 -0.033 0.000 0.290 722 I C 0.308 176.467 176.117 0.069 0.000 1.008 722 I CA -0.207 61.134 61.300 0.069 0.000 1.226 722 I CB 1.395 39.430 38.000 0.058 0.000 1.371 722 I HN 0.540 nan 8.210 nan 0.000 0.468 723 M N 5.104 124.748 119.600 0.073 0.000 2.163 723 M HA 0.179 4.639 4.480 -0.033 0.000 0.305 723 M C 1.670 177.992 176.300 0.036 0.000 1.166 723 M CA -0.250 55.083 55.300 0.055 0.000 1.132 723 M CB 0.526 33.165 32.600 0.064 0.000 1.413 723 M HN 0.504 nan 8.290 nan 0.000 0.478 724 K N 1.286 121.693 120.400 0.012 0.000 2.074 724 K HA -0.219 4.082 4.320 -0.033 0.000 0.209 724 K C 0.767 177.375 176.600 0.013 0.000 1.048 724 K CA 2.388 58.679 56.287 0.006 0.000 0.926 724 K CB -0.293 32.195 32.500 -0.021 0.000 0.713 724 K HN 0.870 nan 8.250 nan 0.000 0.444 725 D N -1.489 118.920 120.400 0.015 0.000 2.324 725 D HA 0.076 4.696 4.640 -0.033 0.000 0.235 725 D C 1.059 177.380 176.300 0.035 0.000 1.095 725 D CA 0.751 54.764 54.000 0.022 0.000 0.871 725 D CB 0.091 40.903 40.800 0.020 0.000 0.906 725 D HN 0.460 nan 8.370 nan 0.000 0.522 726 G N 0.076 108.901 108.800 0.041 0.000 2.284 726 G HA2 -0.360 3.580 3.960 -0.033 0.000 0.247 726 G HA3 -0.360 3.580 3.960 -0.033 0.000 0.247 726 G C 0.507 175.446 174.900 0.064 0.000 1.012 726 G CA -0.017 45.112 45.100 0.048 0.000 0.618 726 G HN 0.477 nan 8.290 nan 0.000 0.521 727 R N 0.855 121.399 120.500 0.073 0.000 2.694 727 R HA 0.462 4.783 4.340 -0.033 0.000 0.268 727 R C -0.231 176.138 176.300 0.114 0.000 1.061 727 R CA 0.810 56.969 56.100 0.097 0.000 1.133 727 R CB 0.309 30.673 30.300 0.107 0.000 1.020 727 R HN 0.198 nan 8.270 nan 0.000 0.475 728 T N 3.187 117.825 114.554 0.140 0.000 2.797 728 T HA 0.436 4.767 4.350 -0.033 0.000 0.279 728 T C -0.030 174.796 174.700 0.211 0.000 0.991 728 T CA -0.638 61.553 62.100 0.152 0.000 0.979 728 T CB 0.917 69.871 68.868 0.145 0.000 0.943 728 T HN 0.242 nan 8.240 nan 0.000 0.444 729 L N 2.155 123.485 121.223 0.178 0.000 2.332 729 L HA 0.775 5.095 4.340 -0.033 0.000 0.269 729 L C -0.599 176.329 176.870 0.098 0.000 1.016 729 L CA -1.256 53.721 54.840 0.229 0.000 0.809 729 L CB 1.701 43.824 42.059 0.107 0.000 1.280 729 L HN 0.296 nan 8.230 nan 0.000 0.447 730 V N 0.283 120.192 119.914 -0.007 0.000 2.349 730 V HA 0.375 4.476 4.120 -0.033 0.000 0.284 730 V C -0.073 176.030 176.094 0.015 0.000 1.014 730 V CA -0.464 61.694 62.300 -0.237 0.000 0.826 730 V CB 1.487 32.755 31.823 -0.925 0.000 1.009 730 V HN 0.907 nan 8.190 nan 0.000 0.431 731 T N 3.630 118.198 114.554 0.024 0.000 2.940 731 T HA 0.722 5.052 4.350 -0.033 0.000 0.288 731 T C -2.987 171.788 174.700 0.125 0.000 1.033 731 T CA -2.516 59.610 62.100 0.043 0.000 1.033 731 T CB 2.540 71.079 68.868 -0.548 0.000 1.079 731 T HN 0.389 nan 8.240 nan 0.000 0.496 732 P HA 0.433 nan 4.420 nan 0.000 0.288 732 P C -0.679 176.690 177.300 0.115 0.000 1.267 732 P CA -0.480 62.552 63.100 -0.115 0.000 0.815 732 P CB 0.808 32.450 31.700 -0.096 0.000 0.989 733 c N 4.628 123.241 118.600 0.022 0.000 2.802 733 c HA 0.950 5.500 4.570 -0.033 0.000 0.307 733 c C -0.779 173.313 174.090 0.004 0.000 1.222 733 c CA -0.447 55.966 56.329 0.140 0.000 1.580 733 c CB 1.663 44.245 42.510 0.120 0.000 2.119 733 c HN 0.933 nan 8.230 nan 0.000 0.479 734 R N 2.635 123.096 120.500 -0.065 0.000 2.690 734 R HA 0.575 4.896 4.340 -0.033 0.000 0.269 734 R C -0.160 176.039 176.300 -0.170 0.000 1.037 734 R CA -0.146 55.880 56.100 -0.124 0.000 0.877 734 R CB 0.471 30.686 30.300 -0.142 0.000 1.255 734 R HN 1.452 nan 8.270 nan 0.000 0.467 735 G N 1.290 110.015 108.800 -0.125 0.000 2.150 735 G HA2 -0.109 3.831 3.960 -0.033 0.000 0.250 735 G HA3 -0.109 3.831 3.960 -0.033 0.000 0.250 735 G C 0.300 175.089 174.900 -0.185 0.000 1.179 735 G CA -0.023 45.005 45.100 -0.119 0.000 0.934 735 G HN 0.741 nan 8.290 nan 0.000 0.453 736 Q N 1.434 121.123 119.800 -0.184 0.000 2.224 736 Q HA -0.123 4.197 4.340 -0.033 0.000 0.203 736 Q C 1.449 177.335 176.000 -0.190 0.000 0.970 736 Q CA 1.304 56.958 55.803 -0.248 0.000 0.865 736 Q CB 0.113 28.734 28.738 -0.194 0.000 0.922 736 Q HN 0.701 nan 8.270 nan 0.000 0.445 737 D N 0.253 120.604 120.400 -0.082 0.000 2.144 737 D HA -0.180 4.440 4.640 -0.033 0.000 0.200 737 D C 1.515 177.762 176.300 -0.089 0.000 0.978 737 D CA 1.125 55.110 54.000 -0.025 0.000 0.833 737 D CB -0.008 40.792 40.800 0.001 0.000 0.961 737 D HN 0.410 nan 8.370 nan 0.000 0.470 738 E N 0.008 120.140 120.200 -0.114 0.000 2.152 738 E HA -0.064 4.266 4.350 -0.033 0.000 0.192 738 E C 2.166 178.685 176.600 -0.136 0.000 0.983 738 E CA 0.256 56.587 56.400 -0.116 0.000 0.818 738 E CB 0.003 29.641 29.700 -0.103 0.000 0.758 738 E HN 0.193 nan 8.360 nan 0.000 0.467 739 L N 0.368 121.471 121.223 -0.201 0.000 2.027 739 L HA -0.133 4.187 4.340 -0.033 0.000 0.206 739 L C 2.689 179.514 176.870 -0.075 0.000 1.074 739 L CA 1.291 56.017 54.840 -0.190 0.000 0.745 739 L CB -0.456 41.310 42.059 -0.489 0.000 0.898 739 L HN 0.229 nan 8.230 nan 0.000 0.433 740 V N -0.732 119.029 119.914 -0.255 0.000 2.591 740 V HA -0.029 4.071 4.120 -0.033 0.000 0.249 740 V C 2.191 178.177 176.094 -0.179 0.000 1.053 740 V CA 1.751 63.912 62.300 -0.232 0.000 1.068 740 V CB -0.486 30.933 31.823 -0.674 0.000 0.689 740 V HN 0.420 nan 8.190 nan 0.000 0.462 741 G N 0.321 109.027 108.800 -0.158 0.000 2.418 741 G HA2 -0.327 3.613 3.960 -0.033 0.000 0.217 741 G HA3 -0.327 3.613 3.960 -0.033 0.000 0.217 741 G C 1.665 176.462 174.900 -0.171 0.000 1.158 741 G CA 0.971 45.993 45.100 -0.131 0.000 0.771 741 G HN 0.544 nan 8.290 nan 0.000 0.545 742 R N 0.977 121.365 120.500 -0.188 0.000 2.090 742 R HA 0.197 4.517 4.340 -0.033 0.000 0.228 742 R C 2.678 178.710 176.300 -0.447 0.000 1.110 742 R CA 1.623 57.577 56.100 -0.242 0.000 0.973 742 R CB -0.705 29.511 30.300 -0.140 0.000 0.869 742 R HN 0.218 nan 8.270 nan 0.000 0.440 743 A N 0.269 122.700 122.820 -0.648 0.000 2.015 743 A HA -0.052 4.248 4.320 -0.033 0.000 0.219 743 A C 1.985 179.250 177.584 -0.532 0.000 1.163 743 A CA 1.100 52.441 52.037 -1.160 0.000 0.646 743 A CB -0.349 18.160 19.000 -0.818 0.000 0.806 743 A HN 0.312 nan 8.150 nan 0.000 0.448 744 R N -0.757 119.567 120.500 -0.295 0.000 2.280 744 R HA 0.170 4.490 4.340 -0.033 0.000 0.207 744 R C -0.280 175.944 176.300 -0.126 0.000 1.043 744 R CA 0.195 56.198 56.100 -0.162 0.000 1.006 744 R CB -0.179 30.054 30.300 -0.112 0.000 0.885 744 R HN 0.470 nan 8.270 nan 0.000 0.467 745 I N 0.817 121.296 120.570 -0.152 0.000 2.396 745 I HA 0.080 4.230 4.170 -0.033 0.000 0.292 745 I C 0.255 176.361 176.117 -0.019 0.000 0.999 745 I CA -0.278 60.970 61.300 -0.087 0.000 1.310 745 I CB 1.664 39.599 38.000 -0.109 0.000 1.404 745 I HN -0.049 nan 8.210 nan 0.000 0.496 746 S N 6.522 122.220 115.700 -0.002 0.000 2.546 746 S HA 0.667 5.117 4.470 -0.033 0.000 0.274 746 S C -2.970 171.634 174.600 0.007 0.000 1.121 746 S CA -1.359 56.861 58.200 0.033 0.000 0.887 746 S CB 2.375 65.586 63.200 0.019 0.000 1.094 746 S HN 0.169 nan 8.310 nan 0.000 0.474 747 P HA 0.525 nan 4.420 nan 0.000 0.277 747 P C 0.294 177.543 177.300 -0.084 0.000 1.240 747 P CA 0.959 64.052 63.100 -0.011 0.000 0.798 747 P CB 0.459 32.176 31.700 0.028 0.000 0.979 748 G N 1.898 110.618 108.800 -0.134 0.000 3.344 748 G HA2 -0.025 3.915 3.960 -0.033 0.000 0.677 748 G HA3 -0.025 3.915 3.960 -0.033 0.000 0.677 748 G C 0.308 174.980 174.900 -0.380 0.000 1.155 748 G CA -0.344 44.606 45.100 -0.250 0.000 1.137 748 G HN 0.673 nan 8.290 nan 0.000 0.571 749 A N 2.699 125.172 122.820 -0.578 0.000 3.132 749 A HA 0.528 4.828 4.320 -0.033 0.000 0.288 749 A C 1.891 178.908 177.584 -0.946 0.000 1.959 749 A CA 1.314 52.924 52.037 -0.711 0.000 1.374 749 A CB -0.700 17.821 19.000 -0.798 0.000 0.918 749 A HN 2.539 nan 8.150 nan 0.000 0.594 750 G N 1.604 110.140 108.800 -0.440 0.000 2.829 750 G HA2 -0.129 3.811 3.960 -0.033 0.000 0.315 750 G HA3 -0.129 3.811 3.960 -0.033 0.000 0.315 750 G C 0.506 175.345 174.900 -0.102 0.000 0.382 750 G CA 0.130 45.093 45.100 -0.227 0.000 1.311 750 G HN 0.814 nan 8.290 nan 0.000 0.251 751 W N 0.619 121.933 121.300 0.023 0.000 2.907 751 W HA 0.144 4.785 4.660 -0.032 0.000 0.271 751 W C 1.162 177.695 176.519 0.023 0.000 1.253 751 W CA -0.856 56.502 57.345 0.021 0.000 1.501 751 W CB -0.063 29.403 29.460 0.011 0.000 1.047 751 W HN 0.526 nan 8.180 nan 0.000 0.610 752 N N 1.464 120.281 118.700 0.195 0.000 2.645 752 N HA 0.191 4.912 4.740 -0.033 0.000 0.233 752 N C 1.011 176.576 175.510 0.092 0.000 1.058 752 N CA -0.194 52.926 53.050 0.118 0.000 0.942 752 N CB 1.074 39.604 38.487 0.072 0.000 1.210 752 N HN -0.347 nan 8.380 nan 0.000 0.512 753 V N 3.598 123.584 119.914 0.119 0.000 2.250 753 V HA -0.323 3.777 4.120 -0.033 0.000 0.250 753 V C 2.530 178.711 176.094 0.145 0.000 1.060 753 V CA 1.880 64.272 62.300 0.154 0.000 1.030 753 V CB -0.622 31.325 31.823 0.206 0.000 0.643 753 V HN 0.709 nan 8.190 nan 0.000 0.445 754 R N 0.005 120.517 120.500 0.020 0.000 2.140 754 R HA -0.273 4.047 4.340 -0.033 0.000 0.250 754 R C 1.901 178.158 176.300 -0.072 0.000 1.150 754 R CA 2.643 58.601 56.100 -0.238 0.000 0.966 754 R CB -0.447 29.572 30.300 -0.468 0.000 0.869 754 R HN 0.616 nan 8.270 nan 0.000 0.445 755 D N -1.261 119.133 120.400 -0.009 0.000 2.103 755 D HA -0.131 4.489 4.640 -0.033 0.000 0.199 755 D C 1.962 178.313 176.300 0.085 0.000 0.978 755 D CA 2.018 56.039 54.000 0.035 0.000 0.829 755 D CB -0.365 40.455 40.800 0.034 0.000 0.981 755 D HN 0.456 nan 8.370 nan 0.000 0.464 756 T N -0.887 113.724 114.554 0.095 0.000 2.684 756 T HA -0.164 4.166 4.350 -0.033 0.000 0.267 756 T C 2.046 176.837 174.700 0.153 0.000 1.036 756 T CA 1.799 63.965 62.100 0.110 0.000 1.148 756 T CB -0.487 68.437 68.868 0.094 0.000 0.863 756 T HN 0.065 nan 8.240 nan 0.000 0.436 757 A N 0.195 123.148 122.820 0.221 0.000 1.930 757 A HA 0.058 4.358 4.320 -0.033 0.000 0.217 757 A C 2.810 180.561 177.584 0.277 0.000 1.175 757 A CA 1.329 53.537 52.037 0.284 0.000 0.627 757 A CB -1.287 17.995 19.000 0.471 0.000 0.815 757 A HN 0.724 nan 8.150 nan 0.000 0.443 758 C N -1.297 118.161 119.300 0.263 0.000 2.450 758 C HA 0.012 4.453 4.460 -0.033 0.000 0.279 758 C C 2.476 177.553 174.990 0.145 0.000 1.335 758 C CA 1.017 60.161 59.018 0.211 0.000 1.749 758 C CB -1.164 26.660 27.740 0.139 0.000 1.963 758 C HN 0.654 nan 8.230 nan 0.000 0.501 759 L N 1.848 123.152 121.223 0.135 0.000 2.072 759 L HA 0.104 4.424 4.340 -0.033 0.000 0.205 759 L C 2.563 179.544 176.870 0.185 0.000 1.079 759 L CA 2.227 57.147 54.840 0.135 0.000 0.752 759 L CB -1.113 41.043 42.059 0.161 0.000 0.906 759 L HN 0.229 nan 8.230 nan 0.000 0.436 760 A N -0.530 122.388 122.820 0.164 0.000 1.940 760 A HA -0.281 4.019 4.320 -0.033 0.000 0.219 760 A C 2.455 180.072 177.584 0.056 0.000 1.176 760 A CA 2.025 54.129 52.037 0.112 0.000 0.631 760 A CB -0.612 18.437 19.000 0.081 0.000 0.814 760 A HN 0.503 nan 8.150 nan 0.000 0.446 761 K N 0.145 120.599 120.400 0.089 0.000 2.148 761 K HA -0.111 4.189 4.320 -0.033 0.000 0.204 761 K C 2.114 178.738 176.600 0.039 0.000 1.050 761 K CA 1.524 57.854 56.287 0.073 0.000 0.942 761 K CB -0.112 32.470 32.500 0.136 0.000 0.724 761 K HN 0.573 nan 8.250 nan 0.000 0.446 762 S N -0.202 115.523 115.700 0.042 0.000 2.368 762 S HA -0.133 4.318 4.470 -0.033 0.000 0.224 762 S C 1.803 176.275 174.600 -0.214 0.000 1.029 762 S CA 0.881 59.110 58.200 0.048 0.000 0.988 762 S CB -0.611 62.619 63.200 0.050 0.000 0.838 762 S HN 0.320 nan 8.310 nan 0.000 0.462 763 Y N 2.261 122.373 120.300 -0.312 0.000 2.145 763 Y HA -0.111 4.420 4.550 -0.031 0.000 0.286 763 Y C 2.942 178.224 175.900 -1.030 0.000 1.145 763 Y CA 0.949 58.620 58.100 -0.715 0.000 1.148 763 Y CB -0.735 37.276 38.460 -0.748 0.000 0.981 763 Y HN 0.304 nan 8.280 nan 0.000 0.507 764 A N 0.112 122.617 122.820 -0.525 0.000 1.859 764 A HA -0.310 3.990 4.320 -0.033 0.000 0.217 764 A C 2.039 179.562 177.584 -0.101 0.000 1.198 764 A CA 2.185 54.034 52.037 -0.313 0.000 0.629 764 A CB -0.895 18.042 19.000 -0.104 0.000 0.830 764 A HN 0.555 nan 8.150 nan 0.000 0.446 765 Q N -1.510 118.261 119.800 -0.048 0.000 2.224 765 Q HA -0.104 4.217 4.340 -0.033 0.000 0.203 765 Q C 2.119 178.182 176.000 0.105 0.000 0.970 765 Q CA 1.140 57.003 55.803 0.100 0.000 0.865 765 Q CB -0.212 28.640 28.738 0.189 0.000 0.922 765 Q HN 0.730 nan 8.270 nan 0.000 0.445 766 M N -0.398 119.024 119.600 -0.296 0.000 2.132 766 M HA -0.153 4.308 4.480 -0.033 0.000 0.263 766 M C 1.152 177.404 176.300 -0.081 0.000 1.065 766 M CA 1.478 56.307 55.300 -0.785 0.000 1.122 766 M CB -0.266 31.426 32.600 -1.513 0.000 1.365 766 M HN 0.334 nan 8.290 nan 0.000 0.411 767 W N 0.989 122.287 121.300 -0.004 0.000 2.358 767 W HA -0.119 4.523 4.660 -0.030 0.000 0.303 767 W C 2.313 178.990 176.519 0.263 0.000 1.208 767 W CA 0.746 58.200 57.345 0.183 0.000 1.274 767 W CB -1.472 28.060 29.460 0.121 0.000 1.138 767 W HN 0.248 nan 8.180 nan 0.000 0.515 768 L N -0.451 121.049 121.223 0.463 0.000 2.131 768 L HA -0.215 4.105 4.340 -0.033 0.000 0.210 768 L C 2.464 179.813 176.870 0.798 0.000 1.092 768 L CA 0.826 55.938 54.840 0.454 0.000 0.759 768 L CB -0.738 41.451 42.059 0.216 0.000 0.903 768 L HN -0.010 nan 8.230 nan 0.000 0.435 769 L N -0.677 120.965 121.223 0.699 0.000 2.127 769 L HA -0.096 4.224 4.340 -0.033 0.000 0.203 769 L C 2.142 179.584 176.870 0.954 0.000 1.080 769 L CA 1.450 56.780 54.840 0.818 0.000 0.768 769 L CB 0.111 42.540 42.059 0.618 0.000 0.924 769 L HN 0.284 nan 8.230 nan 0.000 0.444 770 L N -2.378 119.176 121.223 0.552 0.000 2.388 770 L HA -0.044 4.277 4.340 -0.033 0.000 0.209 770 L C 0.798 177.583 176.870 -0.142 0.000 1.061 770 L CA 0.290 55.255 54.840 0.208 0.000 0.834 770 L CB 0.031 41.900 42.059 -0.317 0.000 1.029 770 L HN 0.124 nan 8.230 nan 0.000 0.473 771 Y N -0.671 119.797 120.300 0.281 0.000 2.734 771 Y HA 0.120 4.652 4.550 -0.030 0.000 0.278 771 Y C 1.547 177.363 175.900 -0.139 0.000 1.108 771 Y CA -0.852 57.192 58.100 -0.094 0.000 1.211 771 Y CB -0.276 38.070 38.460 -0.190 0.000 1.182 771 Y HN 0.074 nan 8.280 nan 0.000 0.547 772 F N -1.106 119.069 119.950 0.374 0.000 2.250 772 F HA -0.181 4.328 4.527 -0.031 0.000 0.301 772 F C 2.001 177.914 175.800 0.189 0.000 1.077 772 F CA 1.594 59.760 58.000 0.276 0.000 1.348 772 F CB -1.230 37.998 39.000 0.381 0.000 1.040 772 F HN 0.298 nan 8.300 nan 0.000 0.509 773 H N -0.756 118.083 119.070 -0.384 0.000 2.491 773 H HA 0.190 4.727 4.556 -0.032 0.000 0.290 773 H C 0.406 175.871 175.328 0.228 0.000 1.050 773 H CA 0.094 56.096 56.048 -0.077 0.000 1.309 773 H CB -0.422 29.196 29.762 -0.240 0.000 1.392 773 H HN -0.018 nan 8.280 nan 0.000 0.554 774 R N 2.128 122.510 120.500 -0.196 0.000 2.296 774 R HA 0.116 4.436 4.340 -0.033 0.000 0.323 774 R C 0.701 177.060 176.300 0.097 0.000 1.067 774 R CA 0.043 56.079 56.100 -0.107 0.000 0.946 774 R CB 0.356 30.479 30.300 -0.296 0.000 0.991 774 R HN 0.445 nan 8.270 nan 0.000 0.448 775 R N 1.355 121.916 120.500 0.102 0.000 2.112 775 R HA -0.201 4.119 4.340 -0.033 0.000 0.242 775 R C 0.949 177.311 176.300 0.105 0.000 1.137 775 R CA 2.181 58.309 56.100 0.046 0.000 0.944 775 R CB 0.058 30.261 30.300 -0.163 0.000 0.857 775 R HN 0.562 nan 8.270 nan 0.000 0.435 776 D N 0.111 120.558 120.400 0.080 0.000 2.144 776 D HA -0.126 4.495 4.640 -0.033 0.000 0.199 776 D C 1.902 178.211 176.300 0.016 0.000 0.984 776 D CA 1.040 55.133 54.000 0.155 0.000 0.834 776 D CB -0.135 40.785 40.800 0.201 0.000 0.955 776 D HN 0.233 nan 8.370 nan 0.000 0.465 777 L N 0.014 121.134 121.223 -0.172 0.000 2.109 777 L HA -0.049 4.271 4.340 -0.033 0.000 0.207 777 L C 2.545 179.436 176.870 0.035 0.000 1.086 777 L CA 0.662 55.306 54.840 -0.327 0.000 0.760 777 L CB -0.238 41.431 42.059 -0.649 0.000 0.910 777 L HN -0.052 nan 8.230 nan 0.000 0.437 778 R N 0.660 121.223 120.500 0.106 0.000 2.066 778 R HA -0.155 4.166 4.340 -0.033 0.000 0.232 778 R C 2.334 178.688 176.300 0.090 0.000 1.131 778 R CA 1.259 57.440 56.100 0.135 0.000 0.955 778 R CB -0.285 30.160 30.300 0.242 0.000 0.851 778 R HN 0.242 nan 8.270 nan 0.000 0.432 779 L N -0.049 121.241 121.223 0.111 0.000 2.027 779 L HA -0.151 4.169 4.340 -0.033 0.000 0.206 779 L C 2.436 179.344 176.870 0.063 0.000 1.074 779 L CA 1.666 56.532 54.840 0.044 0.000 0.745 779 L CB -0.186 41.898 42.059 0.042 0.000 0.898 779 L HN 0.388 nan 8.230 nan 0.000 0.433 780 M N -0.942 118.784 119.600 0.210 0.000 2.213 780 M HA -0.187 4.273 4.480 -0.033 0.000 0.263 780 M C 2.150 178.620 176.300 0.284 0.000 1.062 780 M CA 1.768 57.261 55.300 0.322 0.000 1.105 780 M CB -0.098 32.719 32.600 0.361 0.000 1.385 780 M HN 0.409 nan 8.290 nan 0.000 0.417 781 A N 0.753 123.755 122.820 0.303 0.000 1.873 781 A HA -0.172 4.128 4.320 -0.033 0.000 0.215 781 A C 1.768 179.397 177.584 0.075 0.000 1.186 781 A CA 1.855 54.039 52.037 0.245 0.000 0.616 781 A CB -0.897 18.267 19.000 0.273 0.000 0.823 781 A HN 0.602 nan 8.150 nan 0.000 0.442 782 N N 0.353 119.065 118.700 0.020 0.000 2.244 782 N HA -0.092 4.628 4.740 -0.033 0.000 0.183 782 N C 1.870 177.417 175.510 0.062 0.000 1.016 782 N CA 1.324 54.372 53.050 -0.003 0.000 0.866 782 N CB -0.395 38.070 38.487 -0.038 0.000 0.980 782 N HN 0.490 nan 8.380 nan 0.000 0.430 783 A N 1.270 124.111 122.820 0.035 0.000 1.898 783 A HA -0.040 4.260 4.320 -0.033 0.000 0.216 783 A C 2.306 179.926 177.584 0.060 0.000 1.181 783 A CA 0.781 52.829 52.037 0.018 0.000 0.620 783 A CB -0.535 18.451 19.000 -0.023 0.000 0.819 783 A HN 0.166 nan 8.150 nan 0.000 0.442 784 I N -0.523 120.097 120.570 0.084 0.000 2.179 784 I HA -0.304 3.846 4.170 -0.033 0.000 0.242 784 I C 2.292 178.466 176.117 0.095 0.000 1.088 784 I CA 1.108 62.456 61.300 0.079 0.000 1.357 784 I CB -0.417 37.618 38.000 0.059 0.000 1.051 784 I HN 0.350 nan 8.210 nan 0.000 0.409 785 C N -0.066 119.293 119.300 0.098 0.000 2.432 785 C HA -0.065 4.375 4.460 -0.033 0.000 0.282 785 C C 2.958 178.159 174.990 0.351 0.000 1.388 785 C CA 0.831 59.935 59.018 0.144 0.000 1.777 785 C CB -1.048 26.644 27.740 -0.081 0.000 1.882 785 C HN 0.458 nan 8.230 nan 0.000 0.520 786 S N 0.439 116.307 115.700 0.280 0.000 2.478 786 S HA 0.127 4.577 4.470 -0.033 0.000 0.222 786 S C 1.946 176.581 174.600 0.060 0.000 1.008 786 S CA 0.867 59.176 58.200 0.182 0.000 0.928 786 S CB -0.049 63.200 63.200 0.080 0.000 0.781 786 S HN 0.711 nan 8.310 nan 0.000 0.518 787 A N 0.739 123.584 122.820 0.042 0.000 2.169 787 A HA 0.400 4.700 4.320 -0.033 0.000 0.210 787 A C 0.679 178.302 177.584 0.064 0.000 1.168 787 A CA 0.111 52.110 52.037 -0.063 0.000 0.813 787 A CB 0.245 19.220 19.000 -0.042 0.000 0.861 787 A HN 0.250 nan 8.150 nan 0.000 0.481 788 V N 1.639 121.646 119.914 0.155 0.000 2.472 788 V HA 0.299 4.399 4.120 -0.033 0.000 0.290 788 V C -2.539 173.572 176.094 0.029 0.000 1.037 788 V CA -2.077 60.287 62.300 0.107 0.000 0.908 788 V CB 1.355 33.251 31.823 0.122 0.000 0.985 788 V HN 0.115 nan 8.190 nan 0.000 0.454 789 P HA -0.012 nan 4.420 nan 0.000 0.264 789 P C 1.068 178.202 177.300 -0.278 0.000 1.183 789 P CA 0.166 62.842 63.100 -0.707 0.000 0.763 789 P CB 0.453 31.258 31.700 -1.490 0.000 0.807 790 V N 1.750 121.581 119.914 -0.137 0.000 2.392 790 V HA -0.270 3.831 4.120 -0.033 0.000 0.249 790 V C 1.807 177.948 176.094 0.078 0.000 1.059 790 V CA 2.190 64.517 62.300 0.046 0.000 1.051 790 V CB -1.504 30.362 31.823 0.072 0.000 0.658 790 V HN 0.574 nan 8.190 nan 0.000 0.455 791 N N -1.519 117.210 118.700 0.047 0.000 2.459 791 N HA -0.134 4.586 4.740 -0.033 0.000 0.181 791 N C 0.319 176.035 175.510 0.344 0.000 1.046 791 N CA 0.457 53.608 53.050 0.167 0.000 0.904 791 N CB -0.412 38.166 38.487 0.151 0.000 0.964 791 N HN 0.620 nan 8.380 nan 0.000 0.444 792 W N 2.042 123.364 121.300 0.037 0.000 2.368 792 W HA 0.308 4.948 4.660 -0.033 0.000 0.316 792 W C 0.383 176.937 176.519 0.060 0.000 1.375 792 W CA -1.478 55.895 57.345 0.048 0.000 1.261 792 W CB -0.239 29.253 29.460 0.053 0.000 1.298 792 W HN -0.315 nan 8.180 nan 0.000 0.539 793 V N 7.715 127.765 119.914 0.226 0.000 2.637 793 V HA 0.184 4.284 4.120 -0.033 0.000 0.296 793 V C -1.816 174.363 176.094 0.143 0.000 1.046 793 V CA -1.808 60.582 62.300 0.150 0.000 1.066 793 V CB 0.714 32.596 31.823 0.098 0.000 0.968 793 V HN 0.253 nan 8.190 nan 0.000 0.483 794 P HA 0.311 nan 4.420 nan 0.000 0.276 794 P C -0.738 176.600 177.300 0.064 0.000 1.230 794 P CA 0.109 63.276 63.100 0.112 0.000 0.776 794 P CB 0.717 32.490 31.700 0.121 0.000 0.888 795 T N -0.439 114.147 114.554 0.054 0.000 2.887 795 T HA 0.835 5.166 4.350 -0.033 0.000 0.292 795 T C 0.017 174.697 174.700 -0.034 0.000 1.087 795 T CA -0.299 61.806 62.100 0.007 0.000 1.009 795 T CB 1.605 70.523 68.868 0.083 0.000 1.203 795 T HN 0.700 nan 8.240 nan 0.000 0.518 796 G N 0.470 109.194 108.800 -0.127 0.000 2.655 796 G HA2 0.072 4.012 3.960 -0.033 0.000 0.680 796 G HA3 0.072 4.012 3.960 -0.033 0.000 0.680 796 G C -0.765 174.012 174.900 -0.206 0.000 1.302 796 G CA -0.467 44.558 45.100 -0.126 0.000 0.872 796 G HN 0.996 nan 8.290 nan 0.000 0.540 797 R N -0.457 119.931 120.500 -0.187 0.000 2.312 797 R HA 0.730 5.050 4.340 -0.033 0.000 0.311 797 R C 0.515 176.641 176.300 -0.290 0.000 1.004 797 R CA 0.290 56.197 56.100 -0.321 0.000 0.902 797 R CB 1.114 31.116 30.300 -0.497 0.000 1.073 797 R HN 0.546 nan 8.270 nan 0.000 0.457 798 T N 1.196 115.531 114.554 -0.364 0.000 3.057 798 T HA 0.039 4.369 4.350 -0.033 0.000 0.254 798 T C 0.100 174.739 174.700 -0.102 0.000 0.965 798 T CA 0.218 62.080 62.100 -0.397 0.000 0.978 798 T CB 0.469 69.034 68.868 -0.506 0.000 1.169 798 T HN 0.588 nan 8.240 nan 0.000 0.489 799 T N 2.543 117.037 114.554 -0.100 0.000 2.761 799 T HA 0.242 4.572 4.350 -0.033 0.000 0.287 799 T C -1.310 173.236 174.700 -0.257 0.000 0.931 799 T CA 0.352 62.450 62.100 -0.004 0.000 1.164 799 T CB -0.239 68.656 68.868 0.045 0.000 0.876 799 T HN 0.223 nan 8.240 nan 0.000 0.534 800 W N 2.406 123.771 121.300 0.108 0.000 2.962 800 W HA 0.447 5.089 4.660 -0.030 0.000 0.341 800 W C 1.402 177.978 176.519 0.095 0.000 1.155 800 W CA -0.045 57.359 57.345 0.097 0.000 1.165 800 W CB 1.193 30.715 29.460 0.104 0.000 1.435 800 W HN 0.749 nan 8.180 nan 0.000 0.546 801 S N 0.206 116.139 115.700 0.388 0.000 2.859 801 S HA -0.382 4.068 4.470 -0.033 0.000 0.245 801 S C 0.696 175.423 174.600 0.211 0.000 1.352 801 S CA 1.312 59.662 58.200 0.250 0.000 2.857 801 S CB -1.496 61.820 63.200 0.193 0.000 1.421 801 S HN 0.610 nan 8.310 nan 0.000 0.495 802 I N 3.706 124.367 120.570 0.152 0.000 3.337 802 I HA 0.306 4.456 4.170 -0.033 0.000 0.246 802 I C 2.045 178.193 176.117 0.051 0.000 1.235 802 I CA 0.639 61.944 61.300 0.009 0.000 0.805 802 I CB 0.701 38.682 38.000 -0.032 0.000 1.684 802 I HN 0.875 nan 8.210 nan 0.000 0.868 803 H N 1.017 120.062 119.070 -0.041 0.000 1.785 803 H HA 0.238 4.775 4.556 -0.033 0.000 0.135 803 H C 0.572 175.857 175.328 -0.072 0.000 1.141 803 H CA 0.124 56.111 56.048 -0.100 0.000 1.104 803 H CB -0.422 29.209 29.762 -0.218 0.000 0.672 803 H HN 0.492 nan 8.280 nan 0.000 0.274 804 A N 1.854 124.568 122.820 -0.177 0.000 2.561 804 A HA 0.477 4.777 4.320 -0.033 0.000 0.234 804 A C 1.198 178.739 177.584 -0.073 0.000 1.055 804 A CA 1.525 53.519 52.037 -0.073 0.000 0.756 804 A CB -0.516 18.445 19.000 -0.066 0.000 0.986 804 A HN 1.220 nan 8.150 nan 0.000 0.505 805 G N -0.083 108.644 108.800 -0.121 0.000 2.288 805 G HA2 0.509 4.449 3.960 -0.033 0.000 0.227 805 G HA3 0.509 4.449 3.960 -0.033 0.000 0.227 805 G C 0.794 175.352 174.900 -0.569 0.000 1.339 805 G CA 0.739 45.706 45.100 -0.222 0.000 1.057 805 G HN 2.531 nan 8.290 nan 0.000 0.470 806 G N -0.929 107.033 108.800 -1.397 0.000 2.176 806 G HA2 -0.153 3.788 3.960 -0.033 0.000 0.232 806 G HA3 -0.153 3.788 3.960 -0.033 0.000 0.232 806 G C 0.781 174.975 174.900 -1.176 0.000 0.986 806 G CA 1.284 45.490 45.100 -1.490 0.000 0.643 806 G HN 1.155 nan 8.290 nan 0.000 0.522 807 E N -0.510 119.168 120.200 -0.870 0.000 2.265 807 E HA -0.089 4.241 4.350 -0.033 0.000 0.196 807 E C 1.970 178.473 176.600 -0.162 0.000 0.996 807 E CA 1.804 58.000 56.400 -0.340 0.000 0.832 807 E CB -0.307 29.323 29.700 -0.116 0.000 0.756 807 E HN 0.975 nan 8.360 nan 0.000 0.491 808 W N -0.757 120.555 121.300 0.021 0.000 2.937 808 W HA 0.137 4.779 4.660 -0.030 0.000 0.245 808 W C 0.394 176.919 176.519 0.010 0.000 1.306 808 W CA -0.042 57.328 57.345 0.041 0.000 1.470 808 W CB -0.147 29.341 29.460 0.047 0.000 1.132 808 W HN -0.156 nan 8.180 nan 0.000 0.675 809 M N 3.443 122.905 119.600 -0.231 0.000 3.742 809 M HA 0.230 4.690 4.480 -0.033 0.000 0.197 809 M C -0.315 175.961 176.300 -0.039 0.000 1.417 809 M CA 0.511 55.738 55.300 -0.120 0.000 1.653 809 M CB -1.859 30.587 32.600 -0.258 0.000 1.079 809 M HN 0.027 nan 8.290 nan 0.000 0.558 810 T N -3.563 111.015 114.554 0.040 0.000 2.865 810 T HA 0.389 4.719 4.350 -0.033 0.000 0.294 810 T C 0.623 175.377 174.700 0.091 0.000 1.119 810 T CA -0.614 61.518 62.100 0.054 0.000 1.007 810 T CB 2.315 71.217 68.868 0.056 0.000 1.225 810 T HN 0.153 nan 8.240 nan 0.000 0.515 811 T N -0.253 114.355 114.554 0.089 0.000 3.054 811 T HA 0.230 4.561 4.350 -0.033 0.000 0.255 811 T C 0.387 175.151 174.700 0.106 0.000 1.035 811 T CA -0.126 62.038 62.100 0.107 0.000 0.941 811 T CB -0.202 68.730 68.868 0.107 0.000 1.026 811 T HN 0.641 nan 8.240 nan 0.000 0.533 812 E N 1.769 122.027 120.200 0.097 0.000 2.390 812 E HA 0.072 4.402 4.350 -0.033 0.000 0.261 812 E C -0.538 176.136 176.600 0.123 0.000 1.076 812 E CA -0.410 56.049 56.400 0.099 0.000 0.905 812 E CB 0.578 30.328 29.700 0.082 0.000 0.984 812 E HN 0.171 nan 8.360 nan 0.000 0.427 813 D N 3.288 123.766 120.400 0.131 0.000 2.487 813 D HA -0.110 4.511 4.640 -0.033 0.000 0.243 813 D C 1.109 177.526 176.300 0.194 0.000 1.154 813 D CA 0.102 54.198 54.000 0.161 0.000 0.876 813 D CB 0.590 41.485 40.800 0.158 0.000 1.161 813 D HN 0.416 nan 8.370 nan 0.000 0.478 814 M N 3.537 123.291 119.600 0.256 0.000 2.358 814 M HA -0.104 4.356 4.480 -0.033 0.000 0.264 814 M C 1.719 178.275 176.300 0.426 0.000 1.064 814 M CA 0.909 56.439 55.300 0.383 0.000 1.093 814 M CB -0.618 32.245 32.600 0.438 0.000 1.401 814 M HN 0.654 nan 8.290 nan 0.000 0.440 815 L N -0.545 120.839 121.223 0.268 0.000 2.217 815 L HA -0.183 4.138 4.340 -0.033 0.000 0.211 815 L C 2.038 178.898 176.870 -0.017 0.000 1.107 815 L CA 1.256 55.972 54.840 -0.207 0.000 0.783 815 L CB -0.118 41.693 42.059 -0.413 0.000 0.919 815 L HN 0.193 nan 8.230 nan 0.000 0.442 816 E N -0.508 119.740 120.200 0.080 0.000 2.047 816 E HA -0.196 4.134 4.350 -0.033 0.000 0.191 816 E C 2.060 178.729 176.600 0.114 0.000 0.987 816 E CA 1.529 57.978 56.400 0.082 0.000 0.799 816 E CB -0.183 29.566 29.700 0.080 0.000 0.752 816 E HN 0.381 nan 8.360 nan 0.000 0.449 817 V N -0.787 119.221 119.914 0.156 0.000 2.453 817 V HA -0.140 3.960 4.120 -0.033 0.000 0.247 817 V C 1.928 178.138 176.094 0.192 0.000 1.048 817 V CA 1.756 64.145 62.300 0.149 0.000 1.049 817 V CB -0.602 31.314 31.823 0.155 0.000 0.672 817 V HN 0.548 nan 8.190 nan 0.000 0.457 818 W N 1.461 122.816 121.300 0.090 0.000 2.338 818 W HA -0.182 4.458 4.660 -0.034 0.000 0.304 818 W C 2.418 178.999 176.519 0.104 0.000 1.212 818 W CA 2.129 59.559 57.345 0.141 0.000 1.264 818 W CB -0.186 29.209 29.460 -0.108 0.000 1.142 818 W HN 0.276 nan 8.180 nan 0.000 0.512 819 N N 0.333 119.266 118.700 0.389 0.000 2.120 819 N HA -0.212 4.508 4.740 -0.033 0.000 0.188 819 N C 1.841 177.383 175.510 0.053 0.000 1.024 819 N CA 1.787 54.992 53.050 0.258 0.000 0.852 819 N CB -0.620 37.966 38.487 0.166 0.000 1.003 819 N HN 0.281 nan 8.380 nan 0.000 0.424 820 R N 0.889 121.403 120.500 0.024 0.000 2.096 820 R HA -0.081 4.240 4.340 -0.033 0.000 0.235 820 R C 2.125 178.354 176.300 -0.118 0.000 1.127 820 R CA 1.344 57.423 56.100 -0.035 0.000 0.968 820 R CB -0.080 30.208 30.300 -0.020 0.000 0.861 820 R HN 0.187 nan 8.270 nan 0.000 0.440 821 V N -2.169 117.626 119.914 -0.198 0.000 2.725 821 V HA 0.033 4.134 4.120 -0.033 0.000 0.247 821 V C 1.067 176.828 176.094 -0.555 0.000 1.058 821 V CA 0.726 62.799 62.300 -0.380 0.000 1.080 821 V CB -0.446 31.113 31.823 -0.441 0.000 0.713 821 V HN 0.395 nan 8.190 nan 0.000 0.465 822 W N -0.457 120.555 121.300 -0.481 0.000 2.942 822 W HA 0.465 5.106 4.660 -0.032 0.000 0.263 822 W C 1.828 178.144 176.519 -0.340 0.000 1.296 822 W CA 0.357 57.353 57.345 -0.582 0.000 1.504 822 W CB 0.322 28.926 29.460 -1.426 0.000 1.096 822 W HN 0.209 nan 8.180 nan 0.000 0.639 823 I N -1.942 118.591 120.570 -0.062 0.000 3.674 823 I HA -0.026 4.125 4.170 -0.033 0.000 0.248 823 I C 2.189 178.288 176.117 -0.029 0.000 1.134 823 I CA 0.060 61.362 61.300 0.005 0.000 1.519 823 I CB -0.366 37.675 38.000 0.069 0.000 1.598 823 I HN -0.276 nan 8.210 nan 0.000 0.442 824 E N 1.808 121.987 120.200 -0.034 0.000 2.021 824 E HA -0.285 4.045 4.350 -0.033 0.000 0.200 824 E C 1.396 177.948 176.600 -0.081 0.000 1.015 824 E CA 1.956 58.328 56.400 -0.047 0.000 0.824 824 E CB 0.064 29.742 29.700 -0.038 0.000 0.762 824 E HN 0.358 nan 8.360 nan 0.000 0.454 825 E N 0.315 120.451 120.200 -0.107 0.000 2.445 825 E HA 0.005 4.335 4.350 -0.033 0.000 0.189 825 E C -0.353 176.150 176.600 -0.162 0.000 1.069 825 E CA -0.321 55.999 56.400 -0.133 0.000 0.871 825 E CB 0.181 29.802 29.700 -0.133 0.000 0.991 825 E HN 0.055 nan 8.360 nan 0.000 0.481 826 N N 2.089 120.700 118.700 -0.148 0.000 2.439 826 N HA -0.055 4.665 4.740 -0.033 0.000 0.243 826 N C 0.707 176.098 175.510 -0.198 0.000 1.088 826 N CA 0.016 52.979 53.050 -0.145 0.000 0.940 826 N CB 0.623 39.066 38.487 -0.075 0.000 1.180 826 N HN 0.093 nan 8.380 nan 0.000 0.505 827 E N 2.461 122.450 120.200 -0.352 0.000 2.515 827 E HA -0.148 4.182 4.350 -0.033 0.000 0.201 827 E C 0.171 176.391 176.600 -0.634 0.000 1.071 827 E CA 0.714 56.788 56.400 -0.544 0.000 0.880 827 E CB -0.116 29.136 29.700 -0.745 0.000 0.828 827 E HN 0.641 nan 8.360 nan 0.000 0.540 828 W N 0.426 121.501 121.300 -0.376 0.000 3.123 828 W HA 0.358 4.999 4.660 -0.031 0.000 0.383 828 W C 0.154 176.551 176.519 -0.203 0.000 1.102 828 W CA -0.889 56.233 57.345 -0.373 0.000 1.865 828 W CB 0.194 29.153 29.460 -0.834 0.000 1.111 828 W HN 0.022 nan 8.180 nan 0.000 0.621 829 M N 2.497 122.093 119.600 -0.007 0.000 2.036 829 M HA 0.100 4.560 4.480 -0.033 0.000 0.337 829 M C 1.388 177.693 176.300 0.008 0.000 1.012 829 M CA 0.028 55.354 55.300 0.044 0.000 0.962 829 M CB 0.516 33.145 32.600 0.048 0.000 1.423 829 M HN -0.108 nan 8.290 nan 0.000 0.405 830 E N 1.661 121.879 120.200 0.030 0.000 2.028 830 E HA -0.118 4.213 4.350 -0.033 0.000 0.191 830 E C -0.127 176.480 176.600 0.011 0.000 0.988 830 E CA 1.225 57.631 56.400 0.010 0.000 0.799 830 E CB -0.698 29.017 29.700 0.025 0.000 0.755 830 E HN 0.620 nan 8.360 nan 0.000 0.447 831 D N 1.032 121.450 120.400 0.031 0.000 2.325 831 D HA 0.057 4.677 4.640 -0.033 0.000 0.251 831 D C 0.078 176.395 176.300 0.029 0.000 1.196 831 D CA -0.191 53.826 54.000 0.029 0.000 0.866 831 D CB 0.788 41.611 40.800 0.040 0.000 1.101 831 D HN -0.173 nan 8.370 nan 0.000 0.476 832 K N 2.116 122.525 120.400 0.015 0.000 2.437 832 K HA 0.059 4.359 4.320 -0.033 0.000 0.198 832 K C 0.341 176.953 176.600 0.021 0.000 1.024 832 K CA -0.025 56.270 56.287 0.013 0.000 1.148 832 K CB -0.535 31.962 32.500 -0.006 0.000 0.860 832 K HN 0.518 nan 8.250 nan 0.000 0.515 833 T N 1.179 115.749 114.554 0.026 0.000 2.817 833 T HA 0.219 4.549 4.350 -0.033 0.000 0.295 833 T C -2.457 172.266 174.700 0.037 0.000 0.958 833 T CA -1.541 60.574 62.100 0.025 0.000 1.157 833 T CB 0.517 69.397 68.868 0.020 0.000 0.898 833 T HN -0.108 nan 8.240 nan 0.000 0.536 834 P HA 0.293 nan 4.420 nan 0.000 0.272 834 P C -0.539 176.772 177.300 0.018 0.000 1.230 834 P CA -0.688 62.436 63.100 0.041 0.000 0.788 834 P CB 0.441 32.154 31.700 0.022 0.000 0.949 835 V N 2.026 121.945 119.914 0.008 0.000 2.439 835 V HA 0.139 4.240 4.120 -0.033 0.000 0.282 835 V C 1.115 177.121 176.094 -0.146 0.000 1.039 835 V CA 0.183 62.426 62.300 -0.096 0.000 0.913 835 V CB 0.910 32.605 31.823 -0.213 0.000 0.983 835 V HN 0.566 nan 8.190 nan 0.000 0.460 836 E N 2.678 122.795 120.200 -0.137 0.000 2.501 836 E HA 0.287 4.617 4.350 -0.033 0.000 0.200 836 E C -0.271 176.245 176.600 -0.140 0.000 1.016 836 E CA 0.096 56.426 56.400 -0.117 0.000 0.921 836 E CB 0.497 30.161 29.700 -0.060 0.000 1.034 836 E HN 0.572 nan 8.360 nan 0.000 0.468 837 K N -1.631 118.636 120.400 -0.222 0.000 2.578 837 K HA 0.146 4.446 4.320 -0.033 0.000 0.269 837 K C -0.971 175.447 176.600 -0.304 0.000 0.941 837 K CA -0.674 55.502 56.287 -0.185 0.000 0.847 837 K CB 0.699 33.146 32.500 -0.087 0.000 1.397 837 K HN -0.018 nan 8.250 nan 0.000 0.422 838 W N 0.936 122.116 121.300 -0.199 0.000 2.465 838 W HA -0.161 4.480 4.660 -0.032 0.000 0.268 838 W C 2.120 178.362 176.519 -0.461 0.000 1.242 838 W CA 1.455 58.630 57.345 -0.285 0.000 1.248 838 W CB 0.282 29.702 29.460 -0.067 0.000 1.118 838 W HN 0.677 nan 8.180 nan 0.000 0.587 839 S N -1.121 114.370 115.700 -0.349 0.000 2.447 839 S HA -0.158 4.292 4.470 -0.033 0.000 0.233 839 S C 1.214 175.556 174.600 -0.430 0.000 1.006 839 S CA 1.357 59.091 58.200 -0.777 0.000 0.957 839 S CB -0.318 62.530 63.200 -0.587 0.000 0.773 839 S HN 0.158 nan 8.310 nan 0.000 0.507 840 D N 1.163 121.367 120.400 -0.327 0.000 2.347 840 D HA 0.147 4.768 4.640 -0.033 0.000 0.213 840 D C -0.067 176.036 176.300 -0.329 0.000 0.985 840 D CA 0.244 54.083 54.000 -0.270 0.000 0.879 840 D CB 0.221 40.881 40.800 -0.234 0.000 0.919 840 D HN 0.272 nan 8.370 nan 0.000 0.526 841 V N 4.789 124.428 119.914 -0.457 0.000 2.372 841 V HA 0.136 4.236 4.120 -0.033 0.000 0.261 841 V C -1.842 174.087 176.094 -0.274 0.000 1.055 841 V CA -1.417 60.550 62.300 -0.556 0.000 0.930 841 V CB 0.819 32.079 31.823 -0.938 0.000 1.031 841 V HN -0.000 nan 8.190 nan 0.000 0.479 842 P HA 0.034 nan 4.420 nan 0.000 0.269 842 P C -0.955 176.380 177.300 0.059 0.000 1.211 842 P CA 0.268 63.381 63.100 0.022 0.000 0.781 842 P CB 0.701 32.458 31.700 0.095 0.000 0.877 843 Y N -0.815 119.589 120.300 0.174 0.000 2.602 843 Y HA 0.293 4.824 4.550 -0.031 0.000 0.330 843 Y C 1.605 177.589 175.900 0.140 0.000 1.114 843 Y CA -0.730 57.479 58.100 0.182 0.000 1.182 843 Y CB 1.682 40.225 38.460 0.138 0.000 1.305 843 Y HN 0.288 nan 8.280 nan 0.000 0.502 844 S N -0.157 115.754 115.700 0.352 0.000 2.617 844 S HA 0.297 4.748 4.470 -0.033 0.000 0.259 844 S C 0.151 174.840 174.600 0.148 0.000 1.301 844 S CA -0.258 58.069 58.200 0.212 0.000 0.984 844 S CB 0.266 63.572 63.200 0.177 0.000 0.954 844 S HN 0.831 nan 8.310 nan 0.000 0.572 845 G N 0.258 109.111 108.800 0.087 0.000 2.483 845 G HA2 0.180 4.120 3.960 -0.033 0.000 0.248 845 G HA3 0.180 4.120 3.960 -0.033 0.000 0.248 845 G C 0.542 175.462 174.900 0.034 0.000 1.248 845 G CA -0.377 44.756 45.100 0.055 0.000 0.838 845 G HN 0.758 nan 8.290 nan 0.000 0.566 846 K N 1.081 121.490 120.400 0.014 0.000 2.286 846 K HA -0.174 4.126 4.320 -0.033 0.000 0.203 846 K C 2.900 179.493 176.600 -0.011 0.000 1.045 846 K CA 1.695 57.975 56.287 -0.010 0.000 0.935 846 K CB -0.032 32.457 32.500 -0.018 0.000 0.737 846 K HN 0.534 nan 8.250 nan 0.000 0.460 847 R N 0.874 121.371 120.500 -0.005 0.000 2.127 847 R HA -0.039 4.281 4.340 -0.033 0.000 0.217 847 R C 1.749 178.043 176.300 -0.011 0.000 1.074 847 R CA 1.513 57.606 56.100 -0.011 0.000 0.991 847 R CB -0.743 29.551 30.300 -0.011 0.000 0.895 847 R HN 0.474 nan 8.270 nan 0.000 0.450 848 E N 0.119 120.319 120.200 0.001 0.000 2.158 848 E HA -0.131 4.200 4.350 -0.033 0.000 0.191 848 E C 1.212 177.812 176.600 0.000 0.000 0.982 848 E CA 0.662 57.064 56.400 0.003 0.000 0.823 848 E CB -0.007 29.709 29.700 0.025 0.000 0.766 848 E HN 0.526 nan 8.360 nan 0.000 0.468 849 D N 0.186 120.587 120.400 0.000 0.000 2.144 849 D HA -0.127 4.494 4.640 -0.033 0.000 0.199 849 D C 1.801 178.080 176.300 -0.035 0.000 0.984 849 D CA 0.840 54.827 54.000 -0.021 0.000 0.834 849 D CB 0.165 40.952 40.800 -0.021 0.000 0.955 849 D HN 0.238 nan 8.370 nan 0.000 0.465 850 I N -0.335 120.217 120.570 -0.030 0.000 2.480 850 I HA -0.129 4.022 4.170 -0.033 0.000 0.251 850 I C 2.996 179.092 176.117 -0.035 0.000 1.124 850 I CA 1.026 62.304 61.300 -0.036 0.000 1.444 850 I CB -0.725 37.253 38.000 -0.036 0.000 1.098 850 I HN 0.202 nan 8.210 nan 0.000 0.428 851 W N 0.572 121.855 121.300 -0.029 0.000 2.325 851 W HA -0.268 4.373 4.660 -0.033 0.000 0.299 851 W C 2.361 178.865 176.519 -0.025 0.000 1.215 851 W CA 1.390 58.719 57.345 -0.026 0.000 1.244 851 W CB -1.863 27.580 29.460 -0.028 0.000 1.140 851 W HN 0.503 nan 8.180 nan 0.000 0.523 852 c N -0.749 117.832 118.600 -0.032 0.000 2.525 852 c HA 0.595 5.146 4.570 -0.033 0.000 0.313 852 c C 1.732 175.783 174.090 -0.065 0.000 1.311 852 c CA -0.160 56.142 56.329 -0.045 0.000 1.725 852 c CB -1.260 41.224 42.510 -0.045 0.000 1.926 852 c HN 1.824 nan 8.230 nan 0.000 0.595 853 G N 1.066 109.836 108.800 -0.051 0.000 2.130 853 G HA2 -0.178 3.763 3.960 -0.033 0.000 0.216 853 G HA3 -0.178 3.763 3.960 -0.033 0.000 0.216 853 G C 0.053 174.936 174.900 -0.028 0.000 0.999 853 G CA 0.276 45.349 45.100 -0.045 0.000 0.686 853 G HN 0.801 nan 8.290 nan 0.000 0.515 854 S N -0.763 114.916 115.700 -0.036 0.000 2.549 854 S HA 0.485 4.935 4.470 -0.033 0.000 0.279 854 S C 1.338 175.911 174.600 -0.045 0.000 1.321 854 S CA -0.406 57.785 58.200 -0.015 0.000 1.054 854 S CB 0.653 63.837 63.200 -0.025 0.000 0.899 854 S HN 0.420 nan 8.310 nan 0.000 0.497 855 L N 5.236 126.428 121.223 -0.051 0.000 2.592 855 L HA 0.422 4.742 4.340 -0.033 0.000 0.227 855 L C 0.802 177.609 176.870 -0.104 0.000 1.127 855 L CA 0.328 55.061 54.840 -0.178 0.000 0.884 855 L CB -0.614 41.169 42.059 -0.460 0.000 1.065 855 L HN 0.681 nan 8.230 nan 0.000 0.457 856 I N 0.017 120.566 120.570 -0.034 0.000 2.683 856 I HA 0.132 4.283 4.170 -0.033 0.000 0.286 856 I C 1.384 177.478 176.117 -0.039 0.000 1.175 856 I CA 1.298 62.589 61.300 -0.016 0.000 1.429 856 I CB 0.369 38.358 38.000 -0.017 0.000 1.371 856 I HN 0.525 nan 8.210 nan 0.000 0.569 857 G N 4.051 112.832 108.800 -0.031 0.000 2.195 857 G HA2 -0.213 3.727 3.960 -0.033 0.000 0.224 857 G HA3 -0.213 3.727 3.960 -0.033 0.000 0.224 857 G C 0.313 175.185 174.900 -0.047 0.000 0.990 857 G CA 0.128 45.206 45.100 -0.037 0.000 0.639 857 G HN 0.616 nan 8.290 nan 0.000 0.514 858 T N 1.067 115.584 114.554 -0.063 0.000 2.934 858 T HA 0.527 4.857 4.350 -0.033 0.000 0.283 858 T C 1.702 176.365 174.700 -0.061 0.000 1.005 858 T CA -0.105 61.944 62.100 -0.084 0.000 1.041 858 T CB 1.348 70.129 68.868 -0.144 0.000 1.042 858 T HN 0.301 nan 8.240 nan 0.000 0.505 859 R N 1.506 121.968 120.500 -0.063 0.000 2.075 859 R HA 0.053 4.373 4.340 -0.033 0.000 0.226 859 R C 2.413 178.690 176.300 -0.037 0.000 1.114 859 R CA 1.203 57.279 56.100 -0.040 0.000 0.972 859 R CB -1.351 28.924 30.300 -0.041 0.000 0.869 859 R HN 0.632 nan 8.270 nan 0.000 0.437 860 A N 2.719 125.487 122.820 -0.086 0.000 1.917 860 A HA -0.252 4.049 4.320 -0.033 0.000 0.219 860 A C 2.373 179.915 177.584 -0.069 0.000 1.182 860 A CA 2.095 54.067 52.037 -0.108 0.000 0.633 860 A CB -0.498 18.376 19.000 -0.210 0.000 0.819 860 A HN 0.453 nan 8.150 nan 0.000 0.448 861 R N -0.446 119.993 120.500 -0.102 0.000 2.193 861 R HA 0.262 4.582 4.340 -0.033 0.000 0.213 861 R C 1.946 178.439 176.300 0.323 0.000 1.055 861 R CA 1.479 57.621 56.100 0.070 0.000 0.995 861 R CB -0.498 29.753 30.300 -0.082 0.000 0.893 861 R HN 0.296 nan 8.270 nan 0.000 0.459 862 A N 0.367 123.263 122.820 0.127 0.000 1.898 862 A HA -0.058 4.242 4.320 -0.033 0.000 0.216 862 A C 2.102 179.746 177.584 0.100 0.000 1.181 862 A CA 1.743 53.836 52.037 0.093 0.000 0.620 862 A CB -0.946 18.073 19.000 0.031 0.000 0.819 862 A HN 0.440 nan 8.150 nan 0.000 0.442 863 T N -0.450 114.166 114.554 0.105 0.000 2.915 863 T HA -0.139 4.191 4.350 -0.033 0.000 0.269 863 T C 1.590 176.383 174.700 0.155 0.000 1.071 863 T CA 1.212 63.367 62.100 0.093 0.000 1.132 863 T CB -0.304 68.604 68.868 0.066 0.000 0.878 863 T HN 0.872 nan 8.240 nan 0.000 0.479 864 W N 1.976 123.271 121.300 -0.007 0.000 2.494 864 W HA 0.312 4.956 4.660 -0.027 0.000 0.286 864 W C 2.007 178.541 176.519 0.025 0.000 1.218 864 W CA 0.551 57.909 57.345 0.022 0.000 1.313 864 W CB -0.983 28.512 29.460 0.059 0.000 1.105 864 W HN 0.237 nan 8.180 nan 0.000 0.561 865 A N 1.185 123.762 122.820 -0.404 0.000 1.930 865 A HA -0.177 4.123 4.320 -0.033 0.000 0.217 865 A C 1.987 179.401 177.584 -0.285 0.000 1.175 865 A CA 1.791 53.516 52.037 -0.520 0.000 0.627 865 A CB -0.657 18.225 19.000 -0.196 0.000 0.815 865 A HN 0.212 nan 8.150 nan 0.000 0.443 866 E N 0.468 120.584 120.200 -0.140 0.000 2.112 866 E HA -0.069 4.261 4.350 -0.033 0.000 0.190 866 E C 0.188 176.732 176.600 -0.094 0.000 0.979 866 E CA 1.119 57.460 56.400 -0.098 0.000 0.814 866 E CB -0.292 29.378 29.700 -0.050 0.000 0.762 866 E HN 0.957 nan 8.360 nan 0.000 0.460 867 N N 0.363 119.016 118.700 -0.077 0.000 2.735 867 N HA 0.163 4.883 4.740 -0.033 0.000 0.312 867 N C 0.672 176.143 175.510 -0.065 0.000 1.843 867 N CA -0.151 52.864 53.050 -0.057 0.000 0.945 867 N CB 1.004 39.479 38.487 -0.020 0.000 1.299 867 N HN -0.092 nan 8.380 nan 0.000 0.489 868 I N 0.564 121.052 120.570 -0.137 0.000 2.867 868 I HA -0.005 4.145 4.170 -0.033 0.000 0.265 868 I C 1.884 177.939 176.117 -0.104 0.000 1.162 868 I CA 0.912 62.122 61.300 -0.151 0.000 1.471 868 I CB -0.067 37.724 38.000 -0.348 0.000 1.123 868 I HN 0.387 nan 8.210 nan 0.000 0.440 869 Q N 0.633 120.368 119.800 -0.108 0.000 2.325 869 Q HA -0.169 4.151 4.340 -0.033 0.000 0.211 869 Q C 2.195 178.152 176.000 -0.072 0.000 0.988 869 Q CA 1.255 57.003 55.803 -0.091 0.000 0.887 869 Q CB -0.398 28.289 28.738 -0.084 0.000 0.915 869 Q HN 0.367 nan 8.270 nan 0.000 0.440 870 V N 0.145 120.028 119.914 -0.052 0.000 2.323 870 V HA -0.219 3.882 4.120 -0.033 0.000 0.244 870 V C 2.313 178.391 176.094 -0.028 0.000 1.041 870 V CA 1.656 63.935 62.300 -0.035 0.000 1.025 870 V CB -0.992 30.820 31.823 -0.017 0.000 0.656 870 V HN 0.348 nan 8.190 nan 0.000 0.451 871 A N -0.257 122.556 122.820 -0.010 0.000 1.902 871 A HA -0.191 4.109 4.320 -0.033 0.000 0.217 871 A C 2.198 179.769 177.584 -0.020 0.000 1.181 871 A CA 1.918 53.962 52.037 0.011 0.000 0.623 871 A CB -0.596 18.440 19.000 0.061 0.000 0.818 871 A HN 0.474 nan 8.150 nan 0.000 0.443 872 I N 0.159 120.699 120.570 -0.049 0.000 2.163 872 I HA -0.313 3.838 4.170 -0.033 0.000 0.243 872 I C 2.152 178.184 176.117 -0.140 0.000 1.085 872 I CA 1.433 62.680 61.300 -0.088 0.000 1.347 872 I CB -0.313 37.625 38.000 -0.103 0.000 1.044 872 I HN 0.322 nan 8.210 nan 0.000 0.408 873 N N 0.247 118.874 118.700 -0.122 0.000 2.120 873 N HA -0.209 4.512 4.740 -0.033 0.000 0.188 873 N C 1.782 177.227 175.510 -0.109 0.000 1.024 873 N CA 1.093 54.061 53.050 -0.136 0.000 0.852 873 N CB -0.343 38.089 38.487 -0.092 0.000 1.003 873 N HN 0.422 nan 8.380 nan 0.000 0.424 874 Q N 0.373 120.135 119.800 -0.063 0.000 2.061 874 Q HA -0.096 4.224 4.340 -0.033 0.000 0.204 874 Q C 1.975 177.956 176.000 -0.032 0.000 0.984 874 Q CA 1.165 56.948 55.803 -0.032 0.000 0.846 874 Q CB -0.065 28.670 28.738 -0.006 0.000 0.902 874 Q HN 0.144 nan 8.270 nan 0.000 0.421 875 V N 0.981 120.870 119.914 -0.042 0.000 2.255 875 V HA -0.337 3.763 4.120 -0.033 0.000 0.247 875 V C 2.324 178.381 176.094 -0.062 0.000 1.051 875 V CA 2.037 64.320 62.300 -0.028 0.000 1.018 875 V CB -0.547 31.262 31.823 -0.023 0.000 0.641 875 V HN 0.383 nan 8.190 nan 0.000 0.445 876 R N 0.781 121.162 120.500 -0.199 0.000 2.115 876 R HA -0.217 4.104 4.340 -0.033 0.000 0.239 876 R C 2.535 178.791 176.300 -0.074 0.000 1.133 876 R CA 2.159 58.061 56.100 -0.331 0.000 0.935 876 R CB -1.015 28.868 30.300 -0.695 0.000 0.853 876 R HN 0.708 nan 8.270 nan 0.000 0.433 877 S N 1.220 116.882 115.700 -0.063 0.000 2.365 877 S HA -0.176 4.275 4.470 -0.033 0.000 0.225 877 S C 2.132 176.754 174.600 0.037 0.000 1.039 877 S CA 1.436 59.635 58.200 -0.000 0.000 1.033 877 S CB -0.646 62.548 63.200 -0.009 0.000 0.887 877 S HN 0.244 nan 8.310 nan 0.000 0.447 878 I N 1.742 122.334 120.570 0.036 0.000 2.133 878 I HA -0.106 4.045 4.170 -0.033 0.000 0.238 878 I C 2.636 178.812 176.117 0.099 0.000 1.074 878 I CA 1.229 62.566 61.300 0.063 0.000 1.342 878 I CB -0.594 37.442 38.000 0.060 0.000 1.053 878 I HN 0.305 nan 8.210 nan 0.000 0.404 879 I N 0.899 121.538 120.570 0.115 0.000 2.423 879 I HA -0.091 4.060 4.170 -0.033 0.000 0.254 879 I C 1.005 177.227 176.117 0.175 0.000 1.151 879 I CA 1.932 63.335 61.300 0.172 0.000 1.421 879 I CB -1.368 36.736 38.000 0.174 0.000 1.079 879 I HN 0.476 nan 8.210 nan 0.000 0.431 880 G N 0.769 109.660 108.800 0.152 0.000 2.396 880 G HA2 -0.208 3.732 3.960 -0.033 0.000 0.254 880 G HA3 -0.208 3.732 3.960 -0.033 0.000 0.254 880 G C -0.946 174.051 174.900 0.161 0.000 1.248 880 G CA -0.007 45.176 45.100 0.138 0.000 1.033 880 G HN 0.421 nan 8.290 nan 0.000 0.502 881 D N 1.731 122.195 120.400 0.107 0.000 2.402 881 D HA 0.499 5.120 4.640 -0.033 0.000 0.235 881 D C 0.371 176.671 176.300 0.000 0.000 1.226 881 D CA 0.362 54.409 54.000 0.079 0.000 0.918 881 D CB 0.067 40.901 40.800 0.056 0.000 1.043 881 D HN 0.420 nan 8.370 nan 0.000 0.506 882 E N 1.860 121.991 120.200 -0.115 0.000 2.446 882 E HA 0.259 4.590 4.350 -0.033 0.000 0.269 882 E C -0.641 175.627 176.600 -0.552 0.000 0.977 882 E CA -0.986 55.182 56.400 -0.385 0.000 0.854 882 E CB 1.100 30.406 29.700 -0.657 0.000 1.545 882 E HN 0.176 nan 8.360 nan 0.000 0.448 883 K N 1.262 121.338 120.400 -0.540 0.000 2.276 883 K HA 0.320 4.620 4.320 -0.033 0.000 0.285 883 K C -1.317 174.949 176.600 -0.557 0.000 1.062 883 K CA -0.015 56.040 56.287 -0.387 0.000 0.918 883 K CB 0.217 32.601 32.500 -0.194 0.000 1.055 883 K HN 0.352 nan 8.250 nan 0.000 0.477 884 Y N 1.536 121.774 120.300 -0.103 0.000 2.485 884 Y HA 0.428 4.959 4.550 -0.032 0.000 0.345 884 Y C -0.139 175.681 175.900 -0.132 0.000 0.998 884 Y CA -1.086 56.946 58.100 -0.113 0.000 1.059 884 Y CB 2.060 40.453 38.460 -0.111 0.000 1.234 884 Y HN 0.112 nan 8.280 nan 0.000 0.461 885 V N 1.168 121.064 119.914 -0.030 0.000 2.769 885 V HA 0.268 4.368 4.120 -0.033 0.000 0.312 885 V C -1.149 174.674 176.094 -0.450 0.000 1.061 885 V CA -0.905 61.227 62.300 -0.279 0.000 0.931 885 V CB 2.109 33.679 31.823 -0.422 0.000 1.010 885 V HN 0.741 nan 8.190 nan 0.000 0.433 886 D N 1.130 121.280 120.400 -0.416 0.000 2.373 886 D HA 0.354 4.975 4.640 -0.033 0.000 0.227 886 D C -0.164 175.911 176.300 -0.375 0.000 1.091 886 D CA -0.019 53.793 54.000 -0.312 0.000 0.840 886 D CB 0.781 41.487 40.800 -0.157 0.000 1.060 886 D HN 0.499 nan 8.370 nan 0.000 0.502 887 Y N 2.859 123.153 120.300 -0.010 0.000 2.458 887 Y HA 0.086 4.617 4.550 -0.033 0.000 0.256 887 Y C 1.554 177.421 175.900 -0.055 0.000 1.159 887 Y CA -0.493 57.597 58.100 -0.017 0.000 1.261 887 Y CB 0.137 38.580 38.460 -0.028 0.000 1.119 887 Y HN 0.389 nan 8.280 nan 0.000 0.524 888 M N -0.235 119.380 119.600 0.025 0.000 2.085 888 M HA -0.155 4.305 4.480 -0.033 0.000 0.258 888 M C 2.314 178.573 176.300 -0.069 0.000 1.089 888 M CA 1.287 56.560 55.300 -0.044 0.000 1.123 888 M CB -1.353 31.201 32.600 -0.075 0.000 1.284 888 M HN 0.037 nan 8.290 nan 0.000 0.421 889 S N 1.172 116.836 115.700 -0.061 0.000 2.381 889 S HA -0.210 4.241 4.470 -0.033 0.000 0.230 889 S C 2.049 176.626 174.600 -0.038 0.000 1.052 889 S CA 2.178 60.346 58.200 -0.054 0.000 1.068 889 S CB -0.885 62.291 63.200 -0.040 0.000 0.918 889 S HN 0.680 nan 8.310 nan 0.000 0.448 890 S N 1.129 116.830 115.700 0.003 0.000 2.440 890 S HA -0.081 4.369 4.470 -0.033 0.000 0.238 890 S C 1.743 176.356 174.600 0.022 0.000 1.010 890 S CA 1.110 59.348 58.200 0.063 0.000 0.972 890 S CB -0.327 62.952 63.200 0.132 0.000 0.774 890 S HN 0.391 nan 8.310 nan 0.000 0.501 891 L N 1.144 122.288 121.223 -0.132 0.000 2.168 891 L HA 0.353 4.673 4.340 -0.033 0.000 0.203 891 L C 2.270 178.793 176.870 -0.579 0.000 1.078 891 L CA 1.584 56.130 54.840 -0.489 0.000 0.780 891 L CB -0.887 40.980 42.059 -0.320 0.000 0.939 891 L HN 0.071 nan 8.230 nan 0.000 0.451 892 K N -0.087 120.144 120.400 -0.282 0.000 2.286 892 K HA -0.216 4.084 4.320 -0.033 0.000 0.203 892 K C 2.114 178.625 176.600 -0.149 0.000 1.045 892 K CA 0.840 57.006 56.287 -0.202 0.000 0.935 892 K CB -0.009 32.415 32.500 -0.127 0.000 0.737 892 K HN 0.190 nan 8.250 nan 0.000 0.460 893 R N 0.046 120.476 120.500 -0.116 0.000 2.148 893 R HA -0.130 4.191 4.340 -0.033 0.000 0.227 893 R C 0.515 176.884 176.300 0.114 0.000 1.103 893 R CA 1.099 57.214 56.100 0.024 0.000 0.983 893 R CB -0.171 30.191 30.300 0.104 0.000 0.874 893 R HN 0.293 nan 8.270 nan 0.000 0.451 894 Y N -1.598 118.736 120.300 0.057 0.000 2.553 894 Y HA 0.551 5.081 4.550 -0.033 0.000 0.369 894 Y C -1.011 174.930 175.900 0.067 0.000 0.964 894 Y CA -1.194 56.952 58.100 0.075 0.000 1.156 894 Y CB -0.265 38.264 38.460 0.116 0.000 1.218 894 Y HN -0.206 nan 8.280 nan 0.000 0.630 895 E N 2.390 122.598 120.200 0.013 0.000 2.081 895 E HA 0.196 4.526 4.350 -0.033 0.000 0.276 895 E C -1.198 175.402 176.600 -0.000 0.000 0.950 895 E CA -0.742 55.636 56.400 -0.036 0.000 0.776 895 E CB 0.713 30.364 29.700 -0.081 0.000 1.094 895 E HN 0.448 nan 8.360 nan 0.000 0.402 896 D N 3.844 124.236 120.400 -0.012 0.000 2.373 896 D HA 0.120 4.740 4.640 -0.033 0.000 0.227 896 D C 0.152 176.432 176.300 -0.033 0.000 1.091 896 D CA -0.276 53.714 54.000 -0.016 0.000 0.840 896 D CB 1.606 42.390 40.800 -0.027 0.000 1.060 896 D HN 0.370 nan 8.370 nan 0.000 0.502 897 T N -1.133 113.408 114.554 -0.021 0.000 2.841 897 T HA 0.455 4.785 4.350 -0.033 0.000 0.276 897 T C -0.174 174.516 174.700 -0.016 0.000 1.003 897 T CA -0.501 61.588 62.100 -0.020 0.000 0.995 897 T CB 0.665 69.522 68.868 -0.017 0.000 1.260 897 T HN 0.452 nan 8.240 nan 0.000 0.581 898 T N 1.731 116.276 114.554 -0.015 0.000 2.076 898 T HA -0.080 4.250 4.350 -0.033 0.000 0.264 898 T C 0.524 175.215 174.700 -0.015 0.000 1.051 898 T CA 0.922 63.012 62.100 -0.015 0.000 2.020 898 T CB -1.820 67.039 68.868 -0.015 0.000 1.024 898 T HN 0.867 nan 8.240 nan 0.000 0.392 899 L N 0.000 121.213 121.223 -0.017 0.000 2.949 899 L HA 0.000 4.320 4.340 -0.033 0.000 0.249 899 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 899 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 899 L HN 0.000 nan 8.230 nan 0.000 0.502