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 3gvk_1_A DATA FIRST_RESID 267 DATA SEQUENCE VGQKINGNGK TYKVTSLPDI SRFINTRFVY ERIPGQPLYY ASEEFVQGEL DATA SEQUENCE FKITDTPYYN AWPQDKAFVY ENVIYAPYMG SDRAGVSRLH VSWVKSGDDG DATA SEQUENCE QTWSTPEWLT DLHPDYPTVN YHCMSMGVCR NRLFAMIETR TLAKNALTNC DATA SEQUENCE ALWDRPMSRS LHLTGGITKA ANQRYATIHV PDHGLFVGDF VNFSNSAVTG DATA SEQUENCE VSGDMTVATV IDKDNFTVLT PNQQTSDLNN AGKNWHMGTS FHKSPWRKTD DATA SEQUENCE LGLIPSVTEV HSFATIDNNG FAMGYHQGDV APREVGLFYF PDAFNSPSNY DATA SEQUENCE VRRQIPSEYE PDASEPCIKY YDGVLYLITR GTRGDRLGSS LHRSRDIGQT DATA SEQUENCE WESLRFPHNV HHTTLPFAKV GDDLIMFGSE RAENEWEAGA PDDRYKASYP DATA SEQUENCE RTFYARLNVN NWNADDIEWV NITDQIYQGG IVNSGVGVGS VVVKDNYIYY DATA SEQUENCE MFGGEDHFNP WTYGDNSAKD PFKSDGHPSD LYCYKMKIGP DNRVSRDFRY DATA SEQUENCE GAVPNRAVPV FFDTNGVRTV PAPMEFTGDL GLGHVTIRAS TSSNIRSEVL DATA SEQUENCE MEGEYGFIGK SIPTDNPAGQ RIIFCGGEGT SSTTGAQITL YGANNTDSRR DATA SEQUENCE IVYNGDEHLF QSADVKPYND NVTALGGPSN RFTTAYLGSN PIVT 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 267 V HA 0.000 nan 4.120 nan 0.000 0.244 267 V C 0.000 176.066 176.094 -0.047 0.000 1.182 267 V CA 0.000 62.277 62.300 -0.038 0.000 1.235 267 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 268 G N 2.894 111.658 108.800 -0.061 0.000 2.441 268 G HA2 0.410 4.372 3.960 0.002 0.000 0.243 268 G HA3 0.410 4.372 3.960 0.002 0.000 0.243 268 G C -0.130 174.715 174.900 -0.091 0.000 1.281 268 G CA -0.168 44.884 45.100 -0.081 0.000 0.854 268 G HN 0.599 nan 8.290 nan 0.000 0.560 269 Q N 0.892 120.640 119.800 -0.087 0.000 2.361 269 Q HA 0.029 4.370 4.340 0.002 0.000 0.276 269 Q C 0.478 176.402 176.000 -0.127 0.000 1.022 269 Q CA 0.545 56.298 55.803 -0.084 0.000 0.898 269 Q CB 1.029 29.728 28.738 -0.066 0.000 1.246 269 Q HN 0.480 nan 8.270 nan 0.000 0.410 270 K N 2.154 122.491 120.400 -0.105 0.000 2.355 270 K HA 0.280 4.601 4.320 0.002 0.000 0.270 270 K C -0.041 176.479 176.600 -0.134 0.000 1.003 270 K CA 0.151 56.362 56.287 -0.127 0.000 0.957 270 K CB 0.478 32.941 32.500 -0.061 0.000 0.939 270 K HN 0.442 nan 8.250 nan 0.000 0.482 271 I N 1.989 122.445 120.570 -0.191 0.000 2.498 271 I HA 0.114 4.285 4.170 0.002 0.000 0.290 271 I C -0.374 175.770 176.117 0.047 0.000 1.032 271 I CA -1.006 60.221 61.300 -0.121 0.000 1.073 271 I CB 1.839 39.668 38.000 -0.284 0.000 1.251 271 I HN 0.490 nan 8.210 nan 0.000 0.426 272 N N 3.886 122.639 118.700 0.090 0.000 2.408 272 N HA 0.251 4.992 4.740 0.002 0.000 0.257 272 N C 0.712 176.342 175.510 0.200 0.000 1.064 272 N CA -0.107 53.025 53.050 0.136 0.000 0.952 272 N CB 1.781 40.320 38.487 0.087 0.000 1.093 272 N HN 0.807 nan 8.380 nan 0.000 0.490 273 G N 2.205 111.151 108.800 0.244 0.000 3.042 273 G HA2 -0.035 3.926 3.960 0.002 0.000 0.212 273 G HA3 -0.035 3.926 3.960 0.002 0.000 0.212 273 G C 0.237 175.206 174.900 0.115 0.000 1.166 273 G CA -0.323 44.926 45.100 0.247 0.000 0.767 273 G HN 0.922 nan 8.290 nan 0.000 0.546 274 N N -1.054 117.706 118.700 0.101 0.000 2.725 274 N HA -0.222 4.519 4.740 0.002 0.000 0.249 274 N C 1.281 176.807 175.510 0.026 0.000 1.103 274 N CA 0.348 53.432 53.050 0.056 0.000 0.707 274 N CB -1.077 37.445 38.487 0.057 0.000 1.043 274 N HN 0.771 nan 8.380 nan 0.000 0.553 275 G N -0.786 108.047 108.800 0.056 0.000 2.155 275 G HA2 -0.379 3.582 3.960 0.002 0.000 0.257 275 G HA3 -0.379 3.582 3.960 0.002 0.000 0.257 275 G C 0.076 175.062 174.900 0.142 0.000 0.983 275 G CA 0.897 46.040 45.100 0.072 0.000 0.676 275 G HN 0.487 nan 8.290 nan 0.000 0.528 276 K N 0.131 120.505 120.400 -0.043 0.000 2.098 276 K HA 0.561 4.882 4.320 0.002 0.000 0.257 276 K C -0.034 176.280 176.600 -0.475 0.000 0.999 276 K CA -0.125 56.008 56.287 -0.256 0.000 0.924 276 K CB 0.848 33.089 32.500 -0.432 0.000 1.028 276 K HN 0.084 nan 8.250 nan 0.000 0.466 277 T N 1.956 116.249 114.554 -0.434 0.000 2.779 277 T HA 0.363 4.714 4.350 0.002 0.000 0.280 277 T C -1.150 173.313 174.700 -0.394 0.000 0.987 277 T CA -0.559 61.290 62.100 -0.418 0.000 0.966 277 T CB 0.180 68.978 68.868 -0.116 0.000 0.933 277 T HN 0.226 nan 8.240 nan 0.000 0.442 278 Y N 1.577 121.769 120.300 -0.180 0.000 2.377 278 Y HA 0.488 5.040 4.550 0.002 0.000 0.339 278 Y C 0.494 176.419 175.900 0.041 0.000 1.011 278 Y CA -1.498 56.571 58.100 -0.051 0.000 1.093 278 Y CB 1.328 39.770 38.460 -0.030 0.000 1.201 278 Y HN 0.445 nan 8.280 nan 0.000 0.455 279 K N 3.000 123.529 120.400 0.215 0.000 2.276 279 K HA 0.629 4.951 4.320 0.002 0.000 0.283 279 K C -1.049 175.627 176.600 0.127 0.000 1.044 279 K CA -0.450 55.916 56.287 0.133 0.000 0.944 279 K CB 0.536 33.085 32.500 0.082 0.000 1.012 279 K HN 0.599 nan 8.250 nan 0.000 0.472 280 V N 0.259 120.236 119.914 0.105 0.000 3.007 280 V HA 0.409 4.530 4.120 0.002 0.000 0.311 280 V C 0.480 176.621 176.094 0.078 0.000 1.120 280 V CA -0.435 61.883 62.300 0.029 0.000 0.980 280 V CB 1.394 33.151 31.823 -0.110 0.000 1.033 280 V HN 0.911 nan 8.190 nan 0.000 0.429 281 T N -1.701 112.870 114.554 0.028 0.000 3.037 281 T HA 0.295 4.647 4.350 0.002 0.000 0.252 281 T C 0.741 175.497 174.700 0.093 0.000 1.073 281 T CA 0.617 62.776 62.100 0.098 0.000 1.091 281 T CB 0.114 69.006 68.868 0.040 0.000 0.935 281 T HN 0.714 nan 8.240 nan 0.000 0.488 282 S N 0.432 116.034 115.700 -0.165 0.000 2.542 282 S HA 0.630 5.101 4.470 0.002 0.000 0.293 282 S C -0.625 173.527 174.600 -0.746 0.000 1.089 282 S CA -0.826 57.133 58.200 -0.401 0.000 0.961 282 S CB 1.576 64.632 63.200 -0.239 0.000 1.062 282 S HN 0.369 nan 8.310 nan 0.000 0.483 283 L N 4.352 124.935 121.223 -1.068 0.000 2.499 283 L HA 0.222 4.563 4.340 0.002 0.000 0.273 283 L C -1.464 175.025 176.870 -0.635 0.000 1.195 283 L CA -1.043 53.222 54.840 -0.959 0.000 0.882 283 L CB 0.200 41.714 42.059 -0.908 0.000 1.133 283 L HN 0.476 nan 8.230 nan 0.000 0.483 284 P HA 0.061 nan 4.420 nan 0.000 0.302 284 P C -0.903 176.210 177.300 -0.312 0.000 1.307 284 P CA -0.548 62.256 63.100 -0.494 0.000 0.754 284 P CB 0.501 31.767 31.700 -0.723 0.000 1.298 285 D N -0.235 120.112 120.400 -0.088 0.000 2.455 285 D HA 0.082 4.724 4.640 0.002 0.000 0.234 285 D C 1.264 177.652 176.300 0.146 0.000 1.224 285 D CA -0.031 53.970 54.000 0.001 0.000 0.999 285 D CB -0.792 40.022 40.800 0.022 0.000 1.072 285 D HN 0.158 nan 8.370 nan 0.000 0.514 286 I N 1.516 122.109 120.570 0.037 0.000 2.226 286 I HA -0.287 3.884 4.170 0.002 0.000 0.245 286 I C 2.275 178.556 176.117 0.274 0.000 1.100 286 I CA 1.115 62.512 61.300 0.162 0.000 1.374 286 I CB -0.224 37.806 38.000 0.050 0.000 1.057 286 I HN 0.348 nan 8.210 nan 0.000 0.413 287 S N 0.580 116.364 115.700 0.140 0.000 2.555 287 S HA -0.142 4.329 4.470 0.002 0.000 0.230 287 S C 1.996 176.649 174.600 0.089 0.000 0.978 287 S CA 0.446 58.710 58.200 0.107 0.000 0.934 287 S CB -0.465 62.761 63.200 0.043 0.000 0.766 287 S HN 0.423 nan 8.310 nan 0.000 0.533 288 R N -0.294 120.258 120.500 0.087 0.000 2.193 288 R HA 0.193 4.534 4.340 0.002 0.000 0.213 288 R C -0.641 175.549 176.300 -0.183 0.000 1.055 288 R CA 0.447 56.485 56.100 -0.103 0.000 0.995 288 R CB 0.021 30.168 30.300 -0.254 0.000 0.893 288 R HN 0.445 nan 8.270 nan 0.000 0.459 289 F N 1.032 121.058 119.950 0.126 0.000 2.422 289 F HA 0.369 4.897 4.527 0.002 0.000 0.333 289 F C 0.377 176.256 175.800 0.133 0.000 1.095 289 F CA -1.227 56.872 58.000 0.164 0.000 1.038 289 F CB 1.345 40.519 39.000 0.290 0.000 1.156 289 F HN -0.101 nan 8.300 nan 0.000 0.483 290 I N -0.323 120.417 120.570 0.284 0.000 2.646 290 I HA 0.522 4.693 4.170 0.002 0.000 0.299 290 I C -0.365 175.885 176.117 0.222 0.000 1.036 290 I CA -1.030 60.396 61.300 0.210 0.000 1.074 290 I CB 1.850 39.928 38.000 0.129 0.000 1.258 290 I HN 0.638 nan 8.210 nan 0.000 0.430 291 N N 2.167 120.995 118.700 0.214 0.000 2.727 291 N HA -0.156 4.585 4.740 0.002 0.000 0.249 291 N C -0.771 174.922 175.510 0.306 0.000 1.048 291 N CA 1.240 54.432 53.050 0.237 0.000 0.714 291 N CB -1.407 37.156 38.487 0.127 0.000 0.959 291 N HN 0.895 nan 8.380 nan 0.000 0.544 292 T N 0.050 114.735 114.554 0.219 0.000 2.893 292 T HA 0.519 4.871 4.350 0.002 0.000 0.293 292 T C 0.206 174.506 174.700 -0.665 0.000 1.027 292 T CA -0.744 61.243 62.100 -0.188 0.000 0.988 292 T CB 2.865 71.570 68.868 -0.271 0.000 1.043 292 T HN 0.236 nan 8.240 nan 0.000 0.461 293 R N 1.536 121.380 120.500 -1.093 0.000 2.670 293 R HA 0.687 5.028 4.340 0.002 0.000 0.289 293 R C -1.642 174.136 176.300 -0.871 0.000 0.965 293 R CA -0.693 54.749 56.100 -1.096 0.000 0.899 293 R CB 0.918 30.344 30.300 -1.457 0.000 1.173 293 R HN 0.501 nan 8.270 nan 0.000 0.456 294 F N 2.615 122.467 119.950 -0.163 0.000 2.495 294 F HA 0.424 4.952 4.527 0.002 0.000 0.327 294 F C -0.150 175.646 175.800 -0.007 0.000 1.103 294 F CA -0.881 57.078 58.000 -0.069 0.000 0.949 294 F CB 2.044 40.982 39.000 -0.103 0.000 1.142 294 F HN 0.103 nan 8.300 nan 0.000 0.457 295 V N 5.070 125.032 119.914 0.079 0.000 2.398 295 V HA 0.546 4.667 4.120 0.002 0.000 0.286 295 V C -1.831 174.304 176.094 0.069 0.000 1.026 295 V CA -0.501 61.690 62.300 -0.181 0.000 0.868 295 V CB 1.216 32.725 31.823 -0.524 0.000 0.982 295 V HN 0.664 nan 8.190 nan 0.000 0.443 296 Y N 4.502 124.780 120.300 -0.036 0.000 2.470 296 Y HA 0.533 5.084 4.550 0.002 0.000 0.341 296 Y C -0.432 175.476 175.900 0.013 0.000 1.021 296 Y CA -1.030 57.058 58.100 -0.020 0.000 1.025 296 Y CB 2.157 40.553 38.460 -0.107 0.000 1.266 296 Y HN 0.707 nan 8.280 nan 0.000 0.448 297 E N 6.169 126.060 120.200 -0.515 0.000 2.261 297 E HA 0.229 4.580 4.350 0.002 0.000 0.239 297 E C 0.795 176.891 176.600 -0.839 0.000 0.991 297 E CA -0.381 55.710 56.400 -0.516 0.000 0.847 297 E CB 0.845 30.395 29.700 -0.250 0.000 1.223 297 E HN 0.725 nan 8.360 nan 0.000 0.446 298 R N 2.342 122.206 120.500 -1.060 0.000 2.096 298 R HA -0.102 4.239 4.340 0.002 0.000 0.240 298 R C 0.504 176.637 176.300 -0.279 0.000 1.139 298 R CA 1.123 56.816 56.100 -0.678 0.000 0.952 298 R CB 0.277 30.432 30.300 -0.243 0.000 0.854 298 R HN 0.321 nan 8.270 nan 0.000 0.436 299 I N 2.486 122.925 120.570 -0.219 0.000 2.339 299 I HA 0.310 4.481 4.170 0.002 0.000 0.290 299 I C -2.272 173.747 176.117 -0.164 0.000 0.994 299 I CA -3.356 57.859 61.300 -0.142 0.000 1.191 299 I CB 1.017 38.957 38.000 -0.101 0.000 1.343 299 I HN -0.076 nan 8.210 nan 0.000 0.458 300 P HA 0.090 nan 4.420 nan 0.000 0.261 300 P C 0.941 178.176 177.300 -0.109 0.000 1.173 300 P CA 0.897 63.934 63.100 -0.105 0.000 0.760 300 P CB 0.492 32.153 31.700 -0.065 0.000 0.783 301 G N 2.496 111.234 108.800 -0.104 0.000 2.176 301 G HA2 -0.267 3.694 3.960 0.002 0.000 0.253 301 G HA3 -0.267 3.694 3.960 0.002 0.000 0.253 301 G C 0.081 174.863 174.900 -0.196 0.000 0.979 301 G CA -0.270 44.775 45.100 -0.092 0.000 0.641 301 G HN 0.597 nan 8.290 nan 0.000 0.530 302 Q N 1.083 120.728 119.800 -0.258 0.000 2.788 302 Q HA 0.296 4.637 4.340 0.002 0.000 0.261 302 Q C -2.633 173.265 176.000 -0.170 0.000 1.029 302 Q CA -1.768 53.826 55.803 -0.349 0.000 0.848 302 Q CB 2.261 30.743 28.738 -0.426 0.000 1.185 302 Q HN 0.356 nan 8.270 nan 0.000 0.482 303 P HA 0.112 nan 4.420 nan 0.000 0.271 303 P C -0.659 176.609 177.300 -0.053 0.000 1.216 303 P CA 0.224 63.262 63.100 -0.103 0.000 0.771 303 P CB 1.135 32.779 31.700 -0.094 0.000 0.864 304 L N 2.956 124.125 121.223 -0.089 0.000 2.350 304 L HA 0.504 4.845 4.340 0.002 0.000 0.260 304 L C -0.358 176.408 176.870 -0.173 0.000 1.015 304 L CA -1.148 53.670 54.840 -0.037 0.000 0.821 304 L CB 1.717 43.734 42.059 -0.070 0.000 1.370 304 L HN 0.314 nan 8.230 nan 0.000 0.416 305 Y N -0.113 120.091 120.300 -0.161 0.000 2.446 305 Y HA 0.539 5.090 4.550 0.002 0.000 0.338 305 Y C -1.058 174.634 175.900 -0.347 0.000 1.055 305 Y CA -0.524 57.506 58.100 -0.117 0.000 1.101 305 Y CB 1.725 40.112 38.460 -0.122 0.000 1.221 305 Y HN 0.246 nan 8.280 nan 0.000 0.460 306 Y N 1.040 121.414 120.300 0.124 0.000 2.329 306 Y HA 0.632 5.183 4.550 0.002 0.000 0.328 306 Y C -0.228 175.679 175.900 0.013 0.000 0.992 306 Y CA -1.195 56.951 58.100 0.077 0.000 1.151 306 Y CB 1.619 40.141 38.460 0.102 0.000 1.150 306 Y HN 0.672 nan 8.280 nan 0.000 0.450 307 A N 2.432 125.306 122.820 0.091 0.000 2.301 307 A HA 0.606 4.928 4.320 0.002 0.000 0.298 307 A C 0.299 177.960 177.584 0.129 0.000 1.185 307 A CA -0.481 51.566 52.037 0.017 0.000 0.830 307 A CB 0.261 19.336 19.000 0.125 0.000 1.112 307 A HN 0.750 nan 8.150 nan 0.000 0.508 308 S N 2.165 117.940 115.700 0.125 0.000 2.634 308 S HA 0.337 4.808 4.470 0.002 0.000 0.261 308 S C 0.265 174.994 174.600 0.216 0.000 1.271 308 S CA -0.191 58.136 58.200 0.212 0.000 0.985 308 S CB 0.223 63.586 63.200 0.273 0.000 0.968 308 S HN 0.879 nan 8.310 nan 0.000 0.568 309 E N -0.231 120.085 120.200 0.194 0.000 2.452 309 E HA 0.023 4.374 4.350 0.002 0.000 0.261 309 E C -0.207 176.497 176.600 0.173 0.000 0.987 309 E CA 0.307 56.805 56.400 0.163 0.000 0.926 309 E CB -0.227 29.547 29.700 0.123 0.000 0.934 309 E HN 0.777 nan 8.360 nan 0.000 0.452 310 E N 0.566 120.858 120.200 0.153 0.000 3.916 310 E HA -0.295 4.057 4.350 0.002 0.000 0.331 310 E C 0.335 177.013 176.600 0.130 0.000 0.729 310 E CA 0.914 57.385 56.400 0.119 0.000 1.222 310 E CB -1.446 28.306 29.700 0.087 0.000 1.633 310 E HN 0.749 nan 8.360 nan 0.000 0.437 311 F N 1.107 121.093 119.950 0.060 0.000 2.163 311 F HA -0.008 4.520 4.527 0.002 0.000 0.297 311 F C 1.007 176.837 175.800 0.050 0.000 1.094 311 F CA 1.083 59.105 58.000 0.038 0.000 1.290 311 F CB 0.546 39.561 39.000 0.024 0.000 1.017 311 F HN -0.160 nan 8.300 nan 0.000 0.483 312 V N 1.897 121.937 119.914 0.209 0.000 2.472 312 V HA 0.170 4.291 4.120 0.002 0.000 0.290 312 V C -0.157 175.989 176.094 0.087 0.000 1.037 312 V CA -0.812 61.566 62.300 0.131 0.000 0.908 312 V CB 1.443 33.416 31.823 0.250 0.000 0.985 312 V HN 0.026 nan 8.190 nan 0.000 0.454 313 Q N 3.181 122.997 119.800 0.025 0.000 2.513 313 Q HA 0.490 4.831 4.340 0.002 0.000 0.227 313 Q C 0.355 176.397 176.000 0.069 0.000 1.257 313 Q CA 0.007 55.830 55.803 0.033 0.000 0.915 313 Q CB 0.736 29.471 28.738 -0.005 0.000 1.507 313 Q HN 0.967 nan 8.270 nan 0.000 0.543 314 G N 1.463 110.306 108.800 0.072 0.000 2.576 314 G HA2 0.477 4.438 3.960 0.002 0.000 0.290 314 G HA3 0.477 4.438 3.960 0.002 0.000 0.290 314 G C -1.836 172.933 174.900 -0.218 0.000 1.442 314 G CA -0.485 44.585 45.100 -0.051 0.000 0.792 314 G HN 0.347 nan 8.290 nan 0.000 0.491 315 E N -0.711 119.100 120.200 -0.647 0.000 2.363 315 E HA 0.478 4.829 4.350 0.002 0.000 0.281 315 E C -1.874 174.396 176.600 -0.551 0.000 0.953 315 E CA -0.785 55.342 56.400 -0.456 0.000 0.778 315 E CB 2.568 32.086 29.700 -0.303 0.000 1.220 315 E HN 0.482 nan 8.360 nan 0.000 0.431 316 L N 4.016 125.100 121.223 -0.230 0.000 2.334 316 L HA 0.601 4.942 4.340 0.002 0.000 0.277 316 L C -1.620 175.165 176.870 -0.142 0.000 1.075 316 L CA 0.113 54.985 54.840 0.054 0.000 0.804 316 L CB 0.632 42.844 42.059 0.254 0.000 1.174 316 L HN 0.505 nan 8.230 nan 0.000 0.438 317 F N 3.350 123.339 119.950 0.066 0.000 2.551 317 F HA 0.474 5.003 4.527 0.003 0.000 0.316 317 F C -0.047 175.720 175.800 -0.055 0.000 1.089 317 F CA -0.784 57.220 58.000 0.007 0.000 0.915 317 F CB 1.701 40.706 39.000 0.008 0.000 1.186 317 F HN 0.337 nan 8.300 nan 0.000 0.456 318 K N 3.734 124.140 120.400 0.011 0.000 2.258 318 K HA 0.433 4.755 4.320 0.002 0.000 0.284 318 K C 0.473 176.817 176.600 -0.427 0.000 1.051 318 K CA -0.214 55.817 56.287 -0.428 0.000 0.923 318 K CB 0.694 32.954 32.500 -0.400 0.000 1.046 318 K HN 0.832 nan 8.250 nan 0.000 0.474 319 I N 0.021 120.178 120.570 -0.688 0.000 4.323 319 I HA 0.164 4.336 4.170 0.002 0.000 0.328 319 I C 0.104 175.892 176.117 -0.548 0.000 1.310 319 I CA -0.376 60.461 61.300 -0.772 0.000 1.186 319 I CB 0.957 38.044 38.000 -1.522 0.000 1.130 319 I HN 0.461 nan 8.210 nan 0.000 0.411 320 T N -1.807 112.421 114.554 -0.544 0.000 2.907 320 T HA 0.565 4.917 4.350 0.002 0.000 0.292 320 T C -0.951 173.565 174.700 -0.306 0.000 1.043 320 T CA -0.434 61.447 62.100 -0.364 0.000 1.003 320 T CB 2.514 71.138 68.868 -0.407 0.000 1.084 320 T HN 0.127 nan 8.240 nan 0.000 0.483 321 D N 1.423 121.726 120.400 -0.161 0.000 2.823 321 D HA 0.295 4.937 4.640 0.002 0.000 0.255 321 D C -0.536 175.753 176.300 -0.019 0.000 1.257 321 D CA -0.144 53.792 54.000 -0.106 0.000 0.803 321 D CB 0.700 41.445 40.800 -0.092 0.000 1.384 321 D HN 0.928 nan 8.370 nan 0.000 0.541 322 T N -1.210 113.354 114.554 0.018 0.000 2.916 322 T HA 0.639 4.990 4.350 0.002 0.000 0.292 322 T C -2.171 172.577 174.700 0.080 0.000 1.055 322 T CA -1.902 60.261 62.100 0.106 0.000 1.009 322 T CB 2.282 71.295 68.868 0.243 0.000 1.118 322 T HN -0.210 nan 8.240 nan 0.000 0.497 323 P HA 0.113 nan 4.420 nan 0.000 0.233 323 P C -0.164 177.063 177.300 -0.122 0.000 1.167 323 P CA 0.340 63.360 63.100 -0.133 0.000 0.770 323 P CB -0.281 31.233 31.700 -0.310 0.000 0.837 324 Y N -1.124 119.226 120.300 0.083 0.000 2.426 324 Y HA 0.027 4.578 4.550 0.003 0.000 0.344 324 Y C 0.954 176.982 175.900 0.212 0.000 1.256 324 Y CA -0.311 57.895 58.100 0.178 0.000 1.451 324 Y CB -0.315 38.295 38.460 0.250 0.000 1.342 324 Y HN -0.079 nan 8.280 nan 0.000 0.600 325 Y N 3.109 123.552 120.300 0.239 0.000 2.680 325 Y HA 0.083 4.634 4.550 0.002 0.000 0.356 325 Y C -0.484 175.505 175.900 0.148 0.000 1.122 325 Y CA -0.344 57.814 58.100 0.097 0.000 1.509 325 Y CB -0.660 37.772 38.460 -0.046 0.000 1.245 325 Y HN 0.550 nan 8.280 nan 0.000 0.513 326 N N 5.121 123.959 118.700 0.229 0.000 2.462 326 N HA 0.615 5.356 4.740 0.002 0.000 0.242 326 N C -0.858 174.621 175.510 -0.052 0.000 1.010 326 N CA -0.311 52.843 53.050 0.173 0.000 0.939 326 N CB 1.158 39.626 38.487 -0.032 0.000 1.127 326 N HN 0.593 nan 8.380 nan 0.000 0.509 327 A N 1.444 124.257 122.820 -0.011 0.000 2.534 327 A HA 0.576 4.897 4.320 0.002 0.000 0.300 327 A C -1.301 176.295 177.584 0.020 0.000 1.223 327 A CA -0.719 51.085 52.037 -0.387 0.000 0.666 327 A CB 0.739 19.029 19.000 -1.183 0.000 1.316 327 A HN 0.684 nan 8.150 nan 0.000 0.468 328 W N -2.486 118.933 121.300 0.200 0.000 5.820 328 W HA -0.105 4.556 4.660 0.002 0.000 0.415 328 W C -2.288 174.351 176.519 0.200 0.000 1.627 328 W CA 0.217 57.677 57.345 0.193 0.000 0.991 328 W CB -2.304 27.248 29.460 0.153 0.000 2.842 328 W HN 0.538 nan 8.180 nan 0.000 1.416 329 P HA -0.175 nan 4.420 nan 0.000 0.222 329 P C 1.105 178.578 177.300 0.288 0.000 1.147 329 P CA 1.743 65.010 63.100 0.278 0.000 0.790 329 P CB 0.156 31.959 31.700 0.171 0.000 0.780 330 Q N 0.877 120.884 119.800 0.345 0.000 2.269 330 Q HA 0.003 4.344 4.340 0.002 0.000 0.300 330 Q C -0.425 175.719 176.000 0.240 0.000 1.070 330 Q CA 0.272 56.295 55.803 0.367 0.000 0.957 330 Q CB -0.192 28.882 28.738 0.560 0.000 1.131 330 Q HN -0.063 nan 8.270 nan 0.000 0.377 331 D N 2.651 123.049 120.400 -0.004 0.000 2.404 331 D HA 0.215 4.856 4.640 0.002 0.000 0.267 331 D C -0.530 175.821 176.300 0.084 0.000 1.194 331 D CA -0.534 53.477 54.000 0.020 0.000 0.910 331 D CB 0.575 41.263 40.800 -0.187 0.000 1.090 331 D HN 0.652 nan 8.370 nan 0.000 0.511 332 K N 0.761 121.260 120.400 0.164 0.000 2.440 332 K HA 0.369 4.690 4.320 0.002 0.000 0.207 332 K C 0.644 177.414 176.600 0.284 0.000 1.112 332 K CA -0.427 55.979 56.287 0.198 0.000 1.036 332 K CB 1.268 33.890 32.500 0.203 0.000 0.935 332 K HN 0.276 nan 8.250 nan 0.000 0.564 333 A N 1.926 124.887 122.820 0.235 0.000 2.445 333 A HA 0.452 4.773 4.320 0.002 0.000 0.242 333 A C -0.146 177.594 177.584 0.261 0.000 1.075 333 A CA 0.146 52.290 52.037 0.178 0.000 0.777 333 A CB -0.310 18.774 19.000 0.140 0.000 1.013 333 A HN 0.303 nan 8.150 nan 0.000 0.493 334 F N -1.008 118.993 119.950 0.086 0.000 2.713 334 F HA 0.648 5.176 4.527 0.002 0.000 0.311 334 F C -1.226 174.636 175.800 0.104 0.000 1.141 334 F CA -1.318 56.718 58.000 0.061 0.000 0.939 334 F CB 1.106 40.085 39.000 -0.035 0.000 1.325 334 F HN 0.321 nan 8.300 nan 0.000 0.453 335 V N 2.151 122.236 119.914 0.286 0.000 2.417 335 V HA 0.441 4.562 4.120 0.002 0.000 0.291 335 V C -1.634 174.692 176.094 0.387 0.000 1.024 335 V CA -0.660 61.760 62.300 0.199 0.000 0.861 335 V CB 1.409 33.288 31.823 0.093 0.000 0.985 335 V HN 0.788 nan 8.190 nan 0.000 0.436 336 Y N 2.842 123.295 120.300 0.256 0.000 2.329 336 Y HA 0.394 4.946 4.550 0.003 0.000 0.328 336 Y C 0.525 176.506 175.900 0.135 0.000 0.992 336 Y CA -0.787 57.438 58.100 0.208 0.000 1.151 336 Y CB 1.342 39.926 38.460 0.206 0.000 1.150 336 Y HN 0.869 nan 8.280 nan 0.000 0.450 337 E N 6.230 126.189 120.200 -0.402 0.000 2.197 337 E HA -0.414 3.938 4.350 0.002 0.000 0.184 337 E C -0.097 176.432 176.600 -0.118 0.000 1.439 337 E CA 0.949 57.164 56.400 -0.308 0.000 0.688 337 E CB -0.908 28.538 29.700 -0.423 0.000 1.090 337 E HN 0.930 nan 8.360 nan 0.000 0.341 338 N N -3.174 115.470 118.700 -0.094 0.000 2.980 338 N HA -0.173 4.568 4.740 0.002 0.000 0.219 338 N C -0.267 175.147 175.510 -0.159 0.000 0.883 338 N CA 1.283 54.271 53.050 -0.103 0.000 1.018 338 N CB -0.755 37.673 38.487 -0.098 0.000 1.041 338 N HN 0.196 nan 8.380 nan 0.000 0.592 339 V N 2.354 122.179 119.914 -0.148 0.000 2.435 339 V HA 0.477 4.598 4.120 0.002 0.000 0.290 339 V C 0.705 176.575 176.094 -0.373 0.000 1.030 339 V CA -0.592 61.510 62.300 -0.331 0.000 0.881 339 V CB 1.933 33.504 31.823 -0.420 0.000 0.983 339 V HN 0.063 nan 8.190 nan 0.000 0.445 340 I N 5.157 125.387 120.570 -0.565 0.000 2.325 340 I HA 0.326 4.497 4.170 0.002 0.000 0.291 340 I C -0.849 174.893 176.117 -0.625 0.000 1.019 340 I CA -0.195 60.793 61.300 -0.520 0.000 1.302 340 I CB 0.459 38.079 38.000 -0.632 0.000 1.401 340 I HN 0.506 nan 8.210 nan 0.000 0.485 341 Y N 4.700 124.630 120.300 -0.618 0.000 2.328 341 Y HA 0.559 5.110 4.550 0.002 0.000 0.337 341 Y C 0.422 176.101 175.900 -0.368 0.000 1.008 341 Y CA -0.757 56.892 58.100 -0.752 0.000 1.129 341 Y CB 1.769 39.267 38.460 -1.603 0.000 1.185 341 Y HN 0.601 nan 8.280 nan 0.000 0.476 342 A N 6.309 129.154 122.820 0.042 0.000 2.786 342 A HA 0.540 4.861 4.320 0.002 0.000 0.346 342 A C -2.912 174.874 177.584 0.336 0.000 1.265 342 A CA -1.775 50.348 52.037 0.143 0.000 0.858 342 A CB -0.240 18.775 19.000 0.025 0.000 1.118 342 A HN 0.373 nan 8.150 nan 0.000 0.482 343 P HA 0.517 nan 4.420 nan 0.000 0.274 343 P C -0.716 176.847 177.300 0.438 0.000 1.231 343 P CA 0.124 63.504 63.100 0.467 0.000 0.790 343 P CB 0.426 32.392 31.700 0.443 0.000 0.951 344 Y N -1.615 118.808 120.300 0.204 0.000 2.905 344 Y HA 0.705 5.257 4.550 0.004 0.000 0.322 344 Y C -1.487 174.520 175.900 0.179 0.000 1.455 344 Y CA -1.421 56.792 58.100 0.189 0.000 1.083 344 Y CB 0.881 39.434 38.460 0.156 0.000 1.473 344 Y HN 0.057 nan 8.280 nan 0.000 0.449 345 M N 1.728 121.545 119.600 0.362 0.000 2.190 345 M HA 0.545 5.026 4.480 0.002 0.000 0.312 345 M C -0.480 176.083 176.300 0.437 0.000 0.990 345 M CA -0.757 54.668 55.300 0.208 0.000 0.927 345 M CB 2.258 34.950 32.600 0.154 0.000 1.571 345 M HN 0.928 nan 8.290 nan 0.000 0.427 346 G N 1.824 110.728 108.800 0.173 0.000 2.415 346 G HA2 0.595 4.557 3.960 0.002 0.000 0.317 346 G HA3 0.595 4.557 3.960 0.002 0.000 0.317 346 G C -0.282 174.664 174.900 0.077 0.000 1.152 346 G CA -0.275 44.984 45.100 0.266 0.000 0.956 346 G HN 0.767 nan 8.290 nan 0.000 0.458 347 S N 0.719 116.580 115.700 0.267 0.000 3.081 347 S HA 0.633 5.105 4.470 0.002 0.000 0.316 347 S C 0.227 174.969 174.600 0.236 0.000 1.089 347 S CA 0.024 58.323 58.200 0.166 0.000 0.897 347 S CB 1.917 65.161 63.200 0.073 0.000 1.358 347 S HN 0.422 nan 8.310 nan 0.000 0.678 348 D N -0.686 119.745 120.400 0.052 0.000 2.469 348 D HA 0.248 4.890 4.640 0.002 0.000 0.213 348 D C 0.493 176.616 176.300 -0.294 0.000 1.135 348 D CA -0.289 53.596 54.000 -0.191 0.000 0.834 348 D CB 0.058 40.874 40.800 0.027 0.000 1.009 348 D HN 0.778 nan 8.370 nan 0.000 0.507 349 R N -1.722 118.648 120.500 -0.216 0.000 2.789 349 R HA 0.626 4.967 4.340 0.002 0.000 0.279 349 R C -1.502 174.554 176.300 -0.408 0.000 1.010 349 R CA -0.880 55.059 56.100 -0.269 0.000 0.855 349 R CB 0.198 30.443 30.300 -0.092 0.000 1.312 349 R HN -0.147 nan 8.270 nan 0.000 0.479 350 A N 0.727 123.384 122.820 -0.273 0.000 2.899 350 A HA 0.559 4.880 4.320 0.002 0.000 0.287 350 A C 0.392 177.868 177.584 -0.180 0.000 1.715 350 A CA 0.881 52.857 52.037 -0.102 0.000 1.393 350 A CB -1.148 17.904 19.000 0.086 0.000 1.070 350 A HN 1.124 nan 8.150 nan 0.000 0.587 351 G N -0.934 107.692 108.800 -0.290 0.000 2.315 351 G HA2 0.403 4.364 3.960 0.002 0.000 0.294 351 G HA3 0.403 4.364 3.960 0.002 0.000 0.294 351 G C 0.123 174.893 174.900 -0.218 0.000 1.300 351 G CA 0.125 45.084 45.100 -0.234 0.000 0.843 351 G HN 1.319 nan 8.290 nan 0.000 0.527 352 V N -1.984 117.835 119.914 -0.160 0.000 3.542 352 V HA 0.488 4.610 4.120 0.002 0.000 0.296 352 V C 1.199 177.270 176.094 -0.037 0.000 1.364 352 V CA 0.902 63.136 62.300 -0.111 0.000 1.118 352 V CB 0.053 31.810 31.823 -0.110 0.000 0.972 352 V HN 1.131 nan 8.190 nan 0.000 0.430 353 S N 1.510 117.194 115.700 -0.027 0.000 2.537 353 S HA 0.284 4.755 4.470 0.002 0.000 0.286 353 S C 1.107 175.763 174.600 0.093 0.000 1.299 353 S CA 0.295 58.537 58.200 0.070 0.000 1.067 353 S CB -0.304 62.910 63.200 0.024 0.000 0.864 353 S HN 0.719 nan 8.310 nan 0.000 0.494 354 R N 0.502 121.105 120.500 0.172 0.000 3.946 354 R HA -0.199 4.142 4.340 0.002 0.000 0.329 354 R C -0.126 176.051 176.300 -0.206 0.000 1.209 354 R CA 0.770 56.874 56.100 0.008 0.000 0.909 354 R CB -2.079 28.337 30.300 0.194 0.000 1.355 354 R HN 0.684 nan 8.270 nan 0.000 0.539 355 L N 1.868 122.936 121.223 -0.259 0.000 2.331 355 L HA 0.211 4.552 4.340 0.002 0.000 0.278 355 L C 0.194 176.689 176.870 -0.626 0.000 1.106 355 L CA -0.209 54.442 54.840 -0.315 0.000 0.824 355 L CB 0.503 42.457 42.059 -0.175 0.000 1.142 355 L HN 0.055 nan 8.230 nan 0.000 0.443 356 H N 4.253 123.045 119.070 -0.464 0.000 2.529 356 H HA 0.266 4.822 4.556 0.001 0.000 0.348 356 H C -0.704 174.415 175.328 -0.349 0.000 1.079 356 H CA -0.749 54.988 56.048 -0.518 0.000 1.198 356 H CB 2.009 31.148 29.762 -1.039 0.000 1.521 356 H HN 0.334 nan 8.280 nan 0.000 0.514 357 V N 3.499 123.308 119.914 -0.176 0.000 2.529 357 V HA 0.059 4.180 4.120 0.002 0.000 0.292 357 V C 0.469 176.437 176.094 -0.210 0.000 1.028 357 V CA 0.451 62.630 62.300 -0.203 0.000 1.074 357 V CB 0.424 32.111 31.823 -0.227 0.000 0.958 357 V HN 0.730 nan 8.190 nan 0.000 0.481 358 S N 3.652 119.141 115.700 -0.352 0.000 2.667 358 S HA 0.856 5.327 4.470 0.002 0.000 0.292 358 S C -1.183 173.242 174.600 -0.292 0.000 1.126 358 S CA -0.702 57.261 58.200 -0.396 0.000 0.881 358 S CB 2.174 65.011 63.200 -0.605 0.000 1.132 358 S HN 0.872 nan 8.310 nan 0.000 0.492 359 W N 0.425 121.697 121.300 -0.046 0.000 3.083 359 W HA 0.784 5.446 4.660 0.003 0.000 0.333 359 W C -1.546 175.131 176.519 0.263 0.000 1.217 359 W CA -1.502 55.944 57.345 0.168 0.000 1.170 359 W CB -0.317 29.245 29.460 0.170 0.000 1.437 359 W HN 0.605 nan 8.180 nan 0.000 0.557 360 V N -0.084 120.179 119.914 0.583 0.000 2.864 360 V HA 0.820 4.941 4.120 0.002 0.000 0.314 360 V C -0.526 175.675 176.094 0.179 0.000 1.073 360 V CA -1.605 60.901 62.300 0.343 0.000 0.956 360 V CB 1.643 33.621 31.823 0.259 0.000 1.023 360 V HN 0.646 nan 8.190 nan 0.000 0.435 361 K N 1.520 121.926 120.400 0.009 0.000 2.385 361 K HA 0.743 5.064 4.320 0.002 0.000 0.248 361 K C -0.938 175.340 176.600 -0.537 0.000 0.955 361 K CA -0.585 55.460 56.287 -0.402 0.000 0.816 361 K CB 2.208 34.245 32.500 -0.772 0.000 1.250 361 K HN 0.751 nan 8.250 nan 0.000 0.434 362 S N -0.069 114.997 115.700 -1.057 0.000 2.502 362 S HA 0.495 4.966 4.470 0.002 0.000 0.304 362 S C 0.192 174.310 174.600 -0.803 0.000 1.097 362 S CA -0.581 56.864 58.200 -1.259 0.000 1.045 362 S CB 1.066 62.953 63.200 -2.188 0.000 1.019 362 S HN 0.793 nan 8.310 nan 0.000 0.481 363 G N 2.146 110.604 108.800 -0.569 0.000 3.502 363 G HA2 0.224 4.185 3.960 0.002 0.000 0.267 363 G HA3 0.224 4.185 3.960 0.002 0.000 0.267 363 G C -0.101 174.620 174.900 -0.299 0.000 1.090 363 G CA -0.267 44.601 45.100 -0.387 0.000 0.795 363 G HN 0.776 nan 8.290 nan 0.000 0.535 364 D N -0.974 119.212 120.400 -0.357 0.000 2.837 364 D HA 0.136 4.778 4.640 0.002 0.000 0.340 364 D C -0.136 175.992 176.300 -0.286 0.000 1.451 364 D CA -0.729 53.137 54.000 -0.223 0.000 0.798 364 D CB -0.307 40.460 40.800 -0.055 0.000 1.169 364 D HN -0.046 nan 8.370 nan 0.000 0.449 365 D N 0.335 120.523 120.400 -0.354 0.000 2.772 365 D HA -0.112 4.529 4.640 0.002 0.000 0.233 365 D C 1.329 177.430 176.300 -0.332 0.000 1.143 365 D CA 1.676 55.494 54.000 -0.303 0.000 0.700 365 D CB -1.483 39.222 40.800 -0.159 0.000 1.076 365 D HN 0.784 nan 8.370 nan 0.000 0.430 366 G N -0.804 107.634 108.800 -0.603 0.000 2.175 366 G HA2 -0.388 3.573 3.960 0.002 0.000 0.244 366 G HA3 -0.388 3.573 3.960 0.002 0.000 0.244 366 G C 0.945 175.396 174.900 -0.748 0.000 0.982 366 G CA 0.621 45.365 45.100 -0.593 0.000 0.641 366 G HN 0.466 nan 8.290 nan 0.000 0.527 367 Q N -0.089 119.338 119.800 -0.621 0.000 2.049 367 Q HA 0.083 4.424 4.340 0.002 0.000 0.198 367 Q C 1.471 177.362 176.000 -0.182 0.000 0.971 367 Q CA 1.677 57.209 55.803 -0.453 0.000 0.833 367 Q CB 0.047 28.494 28.738 -0.484 0.000 0.896 367 Q HN 0.820 nan 8.270 nan 0.000 0.434 368 T N -2.905 111.507 114.554 -0.237 0.000 2.906 368 T HA 0.532 4.884 4.350 0.002 0.000 0.295 368 T C -1.429 173.050 174.700 -0.369 0.000 1.061 368 T CA -0.892 61.151 62.100 -0.095 0.000 1.000 368 T CB 1.384 70.264 68.868 0.020 0.000 1.103 368 T HN 0.145 nan 8.240 nan 0.000 0.486 369 W N 0.786 121.980 121.300 -0.178 0.000 2.882 369 W HA 0.670 5.331 4.660 0.001 0.000 0.345 369 W C 0.436 176.869 176.519 -0.143 0.000 1.125 369 W CA -0.733 56.502 57.345 -0.183 0.000 1.167 369 W CB 1.829 31.172 29.460 -0.195 0.000 1.431 369 W HN 0.997 nan 8.180 nan 0.000 0.543 370 S N -0.515 115.235 115.700 0.083 0.000 2.669 370 S HA 0.535 5.007 4.470 0.002 0.000 0.270 370 S C -0.019 174.619 174.600 0.063 0.000 1.225 370 S CA -0.662 57.551 58.200 0.023 0.000 0.991 370 S CB 0.659 63.841 63.200 -0.030 0.000 0.987 370 S HN 0.338 nan 8.310 nan 0.000 0.552 371 T N 3.492 118.065 114.554 0.033 0.000 2.916 371 T HA 0.296 4.647 4.350 0.002 0.000 0.303 371 T C -2.361 172.379 174.700 0.066 0.000 1.025 371 T CA -0.405 61.711 62.100 0.027 0.000 1.142 371 T CB -0.116 68.740 68.868 -0.019 0.000 0.947 371 T HN 0.496 nan 8.240 nan 0.000 0.544 372 P HA 0.111 nan 4.420 nan 0.000 0.265 372 P C -0.303 177.004 177.300 0.012 0.000 1.193 372 P CA 0.026 63.218 63.100 0.152 0.000 0.765 372 P CB 0.438 32.261 31.700 0.205 0.000 0.823 373 E N 2.879 123.131 120.200 0.086 0.000 2.171 373 E HA 0.208 4.559 4.350 0.002 0.000 0.271 373 E C -0.984 175.589 176.600 -0.045 0.000 0.916 373 E CA -0.782 55.596 56.400 -0.037 0.000 0.774 373 E CB 0.626 30.370 29.700 0.074 0.000 1.128 373 E HN 0.267 nan 8.360 nan 0.000 0.403 374 W N 5.847 127.047 121.300 -0.166 0.000 2.345 374 W HA 0.194 4.853 4.660 -0.001 0.000 0.308 374 W C 0.642 177.069 176.519 -0.153 0.000 1.273 374 W CA -0.605 56.618 57.345 -0.204 0.000 1.243 374 W CB 0.365 29.656 29.460 -0.281 0.000 1.260 374 W HN 0.710 nan 8.180 nan 0.000 0.509 375 L N 2.326 123.560 121.223 0.019 0.000 2.354 375 L HA 0.035 4.376 4.340 0.002 0.000 0.212 375 L C 1.299 178.254 176.870 0.142 0.000 1.091 375 L CA 0.861 55.713 54.840 0.020 0.000 0.828 375 L CB -0.395 41.558 42.059 -0.177 0.000 0.973 375 L HN 0.309 nan 8.230 nan 0.000 0.461 376 T N -4.028 110.559 114.554 0.055 0.000 2.908 376 T HA 0.420 4.771 4.350 0.002 0.000 0.290 376 T C -0.532 174.272 174.700 0.173 0.000 1.034 376 T CA -0.954 61.163 62.100 0.028 0.000 1.010 376 T CB 2.593 71.329 68.868 -0.220 0.000 1.068 376 T HN -0.193 nan 8.240 nan 0.000 0.481 377 D N 0.786 121.302 120.400 0.193 0.000 2.466 377 D HA 0.376 5.017 4.640 0.002 0.000 0.262 377 D C 0.470 176.790 176.300 0.034 0.000 1.177 377 D CA -0.555 53.547 54.000 0.170 0.000 1.035 377 D CB 0.968 41.867 40.800 0.166 0.000 1.105 377 D HN 0.516 nan 8.370 nan 0.000 0.551 378 L N 1.257 122.373 121.223 -0.178 0.000 2.490 378 L HA 0.001 4.342 4.340 0.002 0.000 0.274 378 L C 1.235 178.046 176.870 -0.098 0.000 1.201 378 L CA 0.002 54.645 54.840 -0.329 0.000 0.869 378 L CB 0.138 41.831 42.059 -0.610 0.000 1.123 378 L HN 0.331 nan 8.230 nan 0.000 0.484 379 H N 5.220 124.100 119.070 -0.317 0.000 3.038 379 H HA -0.024 4.536 4.556 0.005 0.000 0.338 379 H C -1.674 173.598 175.328 -0.094 0.000 1.041 379 H CA -0.960 54.846 56.048 -0.403 0.000 1.394 379 H CB 1.316 30.697 29.762 -0.636 0.000 1.357 379 H HN 0.368 nan 8.280 nan 0.000 0.600 380 P HA -0.134 nan 4.420 nan 0.000 0.217 380 P C 0.320 177.723 177.300 0.172 0.000 1.148 380 P CA 1.460 64.585 63.100 0.041 0.000 0.834 380 P CB 0.307 31.982 31.700 -0.042 0.000 0.783 381 D N -2.973 117.656 120.400 0.381 0.000 2.388 381 D HA 0.035 4.676 4.640 0.002 0.000 0.221 381 D C 0.189 176.525 176.300 0.060 0.000 1.133 381 D CA -0.374 53.728 54.000 0.170 0.000 0.831 381 D CB -0.530 40.325 40.800 0.092 0.000 0.962 381 D HN 0.199 nan 8.370 nan 0.000 0.502 382 Y N 2.945 123.234 120.300 -0.018 0.000 2.702 382 Y HA 0.065 4.616 4.550 0.002 0.000 0.336 382 Y C -1.231 174.640 175.900 -0.048 0.000 1.235 382 Y CA -0.844 57.211 58.100 -0.075 0.000 1.492 382 Y CB 0.915 39.330 38.460 -0.075 0.000 1.308 382 Y HN -0.060 nan 8.280 nan 0.000 0.589 383 P HA 0.142 nan 4.420 nan 0.000 0.259 383 P C 0.388 177.362 177.300 -0.543 0.000 1.530 383 P CA 0.213 62.727 63.100 -0.976 0.000 1.022 383 P CB 0.416 31.655 31.700 -0.767 0.000 1.514 384 T N -0.636 113.720 114.554 -0.330 0.000 2.851 384 T HA 0.052 4.403 4.350 0.002 0.000 0.262 384 T C 1.085 175.612 174.700 -0.289 0.000 1.043 384 T CA 1.087 63.035 62.100 -0.253 0.000 1.140 384 T CB -0.114 68.649 68.868 -0.175 0.000 0.872 384 T HN 0.121 nan 8.240 nan 0.000 0.446 385 V N -0.732 118.976 119.914 -0.342 0.000 3.130 385 V HA 0.896 5.017 4.120 0.002 0.000 0.310 385 V C -1.186 174.688 176.094 -0.367 0.000 1.158 385 V CA -1.277 60.785 62.300 -0.398 0.000 1.029 385 V CB 2.236 33.733 31.823 -0.544 0.000 1.057 385 V HN 0.107 nan 8.190 nan 0.000 0.436 386 N N -0.900 117.608 118.700 -0.321 0.000 2.825 386 N HA 0.561 5.302 4.740 0.002 0.000 0.253 386 N C -1.508 173.847 175.510 -0.258 0.000 1.426 386 N CA -0.591 52.312 53.050 -0.245 0.000 0.851 386 N CB 1.538 40.022 38.487 -0.005 0.000 1.470 386 N HN 0.722 nan 8.380 nan 0.000 0.517 387 Y N 0.331 120.603 120.300 -0.048 0.000 2.296 387 Y HA 0.379 4.929 4.550 0.001 0.000 0.343 387 Y C 0.428 176.271 175.900 -0.095 0.000 1.292 387 Y CA 0.415 58.442 58.100 -0.121 0.000 1.490 387 Y CB 0.332 38.644 38.460 -0.246 0.000 1.359 387 Y HN 0.563 nan 8.280 nan 0.000 0.599 388 H N -0.751 118.288 119.070 -0.051 0.000 3.140 388 H HA 0.461 5.018 4.556 0.002 0.000 0.336 388 H C -1.904 173.343 175.328 -0.135 0.000 1.142 388 H CA -1.099 54.873 56.048 -0.126 0.000 1.308 388 H CB 1.225 30.904 29.762 -0.137 0.000 1.970 388 H HN 0.891 nan 8.280 nan 0.000 0.521 389 C N 6.851 125.863 119.300 -0.481 0.000 2.752 389 C HA 0.481 4.942 4.460 0.002 0.000 0.360 389 C C -0.259 174.588 174.990 -0.237 0.000 1.081 389 C CA -0.450 58.401 59.018 -0.277 0.000 1.272 389 C CB 0.271 27.869 27.740 -0.238 0.000 1.754 389 C HN 1.022 nan 8.230 nan 0.000 0.483 390 M N 3.456 123.022 119.600 -0.058 0.000 2.414 390 M HA 0.234 4.715 4.480 0.002 0.000 0.357 390 M C 0.234 176.582 176.300 0.081 0.000 1.059 390 M CA 0.278 55.618 55.300 0.068 0.000 0.959 390 M CB 0.743 33.484 32.600 0.236 0.000 1.522 390 M HN 0.612 nan 8.290 nan 0.000 0.551 391 S N 1.756 117.507 115.700 0.085 0.000 2.733 391 S HA 0.771 5.242 4.470 0.002 0.000 0.294 391 S C -1.077 173.589 174.600 0.110 0.000 1.149 391 S CA -0.489 57.797 58.200 0.144 0.000 1.034 391 S CB 1.163 64.498 63.200 0.225 0.000 1.015 391 S HN 0.410 nan 8.310 nan 0.000 0.486 392 M N 4.730 124.362 119.600 0.053 0.000 2.414 392 M HA 0.688 5.169 4.480 0.002 0.000 0.287 392 M C -0.822 175.091 176.300 -0.646 0.000 1.181 392 M CA -0.100 55.087 55.300 -0.189 0.000 0.933 392 M CB 1.746 34.347 32.600 0.001 0.000 1.732 392 M HN 0.838 nan 8.290 nan 0.000 0.486 393 G N 1.592 109.560 108.800 -1.386 0.000 2.428 393 G HA2 0.575 4.536 3.960 0.002 0.000 0.304 393 G HA3 0.575 4.536 3.960 0.002 0.000 0.304 393 G C -2.360 171.694 174.900 -1.411 0.000 1.303 393 G CA -0.570 43.466 45.100 -1.774 0.000 0.825 393 G HN 0.639 nan 8.290 nan 0.000 0.484 394 V N -0.370 119.028 119.914 -0.861 0.000 2.487 394 V HA 0.618 4.739 4.120 0.002 0.000 0.298 394 V C -0.636 175.511 176.094 0.088 0.000 1.028 394 V CA -0.648 61.422 62.300 -0.384 0.000 0.860 394 V CB 1.296 32.877 31.823 -0.403 0.000 0.991 394 V HN 1.037 nan 8.190 nan 0.000 0.427 395 C N 6.579 126.070 119.300 0.317 0.000 2.397 395 C HA 0.619 5.080 4.460 0.002 0.000 0.325 395 C C 0.644 175.977 174.990 0.572 0.000 1.201 395 C CA -0.714 58.584 59.018 0.467 0.000 1.377 395 C CB 0.239 28.285 27.740 0.509 0.000 2.038 395 C HN 1.022 nan 8.230 nan 0.000 0.457 396 R N 4.454 125.195 120.500 0.402 0.000 3.158 396 R HA -0.212 4.129 4.340 0.002 0.000 0.244 396 R C 0.600 177.085 176.300 0.308 0.000 0.900 396 R CA 1.397 57.676 56.100 0.299 0.000 0.618 396 R CB -1.697 28.672 30.300 0.115 0.000 1.061 396 R HN 1.120 nan 8.270 nan 0.000 0.471 397 N N -1.405 117.448 118.700 0.255 0.000 2.753 397 N HA -0.238 4.503 4.740 0.002 0.000 0.251 397 N C -0.726 174.778 175.510 -0.011 0.000 1.097 397 N CA 1.618 54.768 53.050 0.167 0.000 0.786 397 N CB -0.434 38.172 38.487 0.198 0.000 1.137 397 N HN 0.575 nan 8.380 nan 0.000 0.566 398 R N 0.263 120.775 120.500 0.020 0.000 2.599 398 R HA 0.469 4.810 4.340 0.002 0.000 0.295 398 R C -0.813 175.329 176.300 -0.263 0.000 0.963 398 R CA -1.045 54.945 56.100 -0.183 0.000 0.883 398 R CB 1.688 31.800 30.300 -0.314 0.000 1.171 398 R HN 0.017 nan 8.270 nan 0.000 0.450 399 L N 3.202 124.216 121.223 -0.347 0.000 2.410 399 L HA 0.317 4.658 4.340 0.002 0.000 0.273 399 L C -1.261 175.391 176.870 -0.363 0.000 1.144 399 L CA 0.679 55.322 54.840 -0.329 0.000 0.863 399 L CB 0.116 42.120 42.059 -0.092 0.000 1.140 399 L HN 0.410 nan 8.230 nan 0.000 0.463 400 F N 4.272 124.039 119.950 -0.305 0.000 2.495 400 F HA 0.776 5.306 4.527 0.005 0.000 0.327 400 F C 0.245 175.913 175.800 -0.219 0.000 1.103 400 F CA -0.331 57.545 58.000 -0.206 0.000 0.949 400 F CB 1.923 40.715 39.000 -0.347 0.000 1.142 400 F HN 0.608 nan 8.300 nan 0.000 0.457 401 A N 3.251 126.128 122.820 0.095 0.000 2.486 401 A HA 0.710 5.031 4.320 0.002 0.000 0.300 401 A C -1.409 176.160 177.584 -0.024 0.000 1.048 401 A CA -0.746 51.291 52.037 -0.000 0.000 0.696 401 A CB 1.475 20.434 19.000 -0.069 0.000 1.278 401 A HN 0.705 nan 8.150 nan 0.000 0.405 402 M N 3.787 123.376 119.600 -0.019 0.000 2.201 402 M HA 0.383 4.864 4.480 0.002 0.000 0.345 402 M C -1.154 175.037 176.300 -0.181 0.000 1.352 402 M CA -0.591 54.683 55.300 -0.043 0.000 1.218 402 M CB -0.422 32.218 32.600 0.067 0.000 1.512 402 M HN 0.456 nan 8.290 nan 0.000 0.447 403 I N 5.042 125.378 120.570 -0.391 0.000 2.291 403 I HA 0.215 4.386 4.170 0.002 0.000 0.292 403 I C 0.177 176.112 176.117 -0.305 0.000 1.064 403 I CA -0.029 60.895 61.300 -0.626 0.000 1.269 403 I CB -0.003 37.024 38.000 -1.622 0.000 1.418 403 I HN 0.663 nan 8.210 nan 0.000 0.485 404 E N 4.217 124.345 120.200 -0.121 0.000 2.277 404 E HA 0.399 4.750 4.350 0.002 0.000 0.274 404 E C -0.400 176.240 176.600 0.066 0.000 1.022 404 E CA -0.496 55.907 56.400 0.004 0.000 0.853 404 E CB 1.363 31.101 29.700 0.064 0.000 1.086 404 E HN 0.404 nan 8.360 nan 0.000 0.397 405 T N 3.184 117.765 114.554 0.045 0.000 2.771 405 T HA 0.443 4.794 4.350 0.002 0.000 0.281 405 T C -0.263 174.376 174.700 -0.103 0.000 0.982 405 T CA -0.710 61.381 62.100 -0.015 0.000 0.978 405 T CB 0.641 69.508 68.868 -0.002 0.000 0.930 405 T HN 0.283 nan 8.240 nan 0.000 0.447 406 R N 1.122 121.525 120.500 -0.161 0.000 2.795 406 R HA 0.586 4.928 4.340 0.002 0.000 0.275 406 R C -0.068 176.106 176.300 -0.210 0.000 0.981 406 R CA -1.040 54.948 56.100 -0.186 0.000 0.917 406 R CB 1.488 31.648 30.300 -0.234 0.000 1.202 406 R HN 0.720 nan 8.270 nan 0.000 0.469 407 T N -0.533 113.909 114.554 -0.187 0.000 2.919 407 T HA 0.127 4.479 4.350 0.002 0.000 0.302 407 T C 1.239 175.830 174.700 -0.183 0.000 1.031 407 T CA -0.573 61.415 62.100 -0.186 0.000 1.127 407 T CB 0.675 69.454 68.868 -0.148 0.000 0.952 407 T HN 0.347 nan 8.240 nan 0.000 0.540 408 L N 2.602 123.706 121.223 -0.198 0.000 2.093 408 L HA 0.110 4.451 4.340 0.002 0.000 0.208 408 L C 2.911 179.697 176.870 -0.140 0.000 1.085 408 L CA 2.029 56.759 54.840 -0.183 0.000 0.755 408 L CB -1.157 40.759 42.059 -0.238 0.000 0.904 408 L HN 0.981 nan 8.230 nan 0.000 0.435 409 A N -1.139 121.604 122.820 -0.128 0.000 1.898 409 A HA -0.162 4.159 4.320 0.002 0.000 0.216 409 A C 2.128 179.665 177.584 -0.078 0.000 1.181 409 A CA 1.771 53.752 52.037 -0.093 0.000 0.620 409 A CB -0.153 18.797 19.000 -0.085 0.000 0.819 409 A HN 0.280 nan 8.150 nan 0.000 0.442 410 K N -2.512 117.835 120.400 -0.089 0.000 2.477 410 K HA 0.179 4.500 4.320 0.002 0.000 0.208 410 K C 0.232 176.774 176.600 -0.096 0.000 1.117 410 K CA 0.404 56.645 56.287 -0.076 0.000 1.039 410 K CB 0.593 33.055 32.500 -0.063 0.000 0.937 410 K HN 0.329 nan 8.250 nan 0.000 0.570 411 N N 0.430 119.052 118.700 -0.130 0.000 2.714 411 N HA -0.212 4.529 4.740 0.002 0.000 0.250 411 N C -1.040 174.369 175.510 -0.169 0.000 1.117 411 N CA 0.826 53.772 53.050 -0.174 0.000 0.719 411 N CB -1.034 37.341 38.487 -0.187 0.000 1.081 411 N HN 0.283 nan 8.380 nan 0.000 0.557 412 A N 0.153 122.893 122.820 -0.134 0.000 2.366 412 A HA 0.496 4.817 4.320 0.002 0.000 0.272 412 A C 0.364 177.875 177.584 -0.122 0.000 1.135 412 A CA -0.467 51.504 52.037 -0.111 0.000 0.804 412 A CB 0.497 19.447 19.000 -0.084 0.000 1.064 412 A HN 0.444 nan 8.150 nan 0.000 0.499 413 L N 3.409 124.568 121.223 -0.106 0.000 2.410 413 L HA 0.350 4.692 4.340 0.002 0.000 0.273 413 L C 1.395 178.225 176.870 -0.067 0.000 1.144 413 L CA 1.577 56.363 54.840 -0.091 0.000 0.863 413 L CB 0.816 42.834 42.059 -0.068 0.000 1.140 413 L HN 0.854 nan 8.230 nan 0.000 0.463 414 T N 0.517 115.031 114.554 -0.067 0.000 2.955 414 T HA 0.323 4.675 4.350 0.002 0.000 0.251 414 T C 0.452 175.140 174.700 -0.021 0.000 1.002 414 T CA 0.087 62.157 62.100 -0.051 0.000 0.970 414 T CB -0.183 68.639 68.868 -0.077 0.000 1.091 414 T HN 0.545 nan 8.240 nan 0.000 0.495 415 N N -0.911 117.784 118.700 -0.009 0.000 2.446 415 N HA 0.501 5.242 4.740 0.002 0.000 0.272 415 N C -2.138 173.387 175.510 0.025 0.000 1.127 415 N CA -0.533 52.532 53.050 0.024 0.000 0.896 415 N CB 1.888 40.414 38.487 0.064 0.000 1.658 415 N HN 0.261 nan 8.380 nan 0.000 0.483 416 C N 2.175 121.489 119.300 0.024 0.000 2.379 416 C HA 0.972 5.433 4.460 0.002 0.000 0.323 416 C C -0.266 174.750 174.990 0.044 0.000 1.262 416 C CA -0.445 58.580 59.018 0.012 0.000 1.581 416 C CB 0.080 27.803 27.740 -0.028 0.000 2.221 416 C HN 0.762 nan 8.230 nan 0.000 0.497 417 A N 2.853 125.697 122.820 0.039 0.000 2.422 417 A HA 0.746 5.067 4.320 0.002 0.000 0.302 417 A C -1.214 176.442 177.584 0.120 0.000 1.041 417 A CA -0.445 51.669 52.037 0.129 0.000 0.708 417 A CB 0.859 20.026 19.000 0.278 0.000 1.257 417 A HN 0.818 nan 8.150 nan 0.000 0.414 418 L N 2.737 124.076 121.223 0.193 0.000 2.283 418 L HA 0.587 4.929 4.340 0.002 0.000 0.287 418 L C -1.374 175.712 176.870 0.359 0.000 1.073 418 L CA -0.057 54.902 54.840 0.199 0.000 0.822 418 L CB -0.164 41.979 42.059 0.140 0.000 1.186 418 L HN 0.634 nan 8.230 nan 0.000 0.436 419 W N 4.037 125.292 121.300 -0.075 0.000 2.478 419 W HA 0.494 5.162 4.660 0.014 0.000 0.318 419 W C -0.409 176.135 176.519 0.041 0.000 1.062 419 W CA -1.160 56.126 57.345 -0.098 0.000 1.210 419 W CB 1.274 30.433 29.460 -0.501 0.000 1.325 419 W HN 0.659 nan 8.180 nan 0.000 0.496 420 D N 0.861 121.413 120.400 0.254 0.000 2.581 420 D HA 0.782 5.423 4.640 0.002 0.000 0.232 420 D C -1.145 175.087 176.300 -0.113 0.000 1.143 420 D CA -1.077 52.849 54.000 -0.123 0.000 0.881 420 D CB 2.178 42.454 40.800 -0.872 0.000 1.500 420 D HN 0.315 nan 8.370 nan 0.000 0.458 421 R N 0.518 120.802 120.500 -0.360 0.000 2.561 421 R HA 0.388 4.729 4.340 0.002 0.000 0.266 421 R C -2.945 173.127 176.300 -0.380 0.000 1.091 421 R CA -1.885 53.906 56.100 -0.514 0.000 0.927 421 R CB 2.107 31.747 30.300 -1.101 0.000 1.240 421 R HN 0.406 nan 8.270 nan 0.000 0.449 422 P HA 0.094 nan 4.420 nan 0.000 0.271 422 P C -0.565 176.696 177.300 -0.066 0.000 1.216 422 P CA -0.170 62.805 63.100 -0.209 0.000 0.776 422 P CB 0.710 32.297 31.700 -0.189 0.000 0.881 423 M N 1.125 120.663 119.600 -0.103 0.000 2.250 423 M HA 0.161 4.642 4.480 0.002 0.000 0.344 423 M C 0.677 176.999 176.300 0.037 0.000 1.150 423 M CA 0.000 55.231 55.300 -0.116 0.000 1.147 423 M CB 0.167 32.384 32.600 -0.638 0.000 1.498 423 M HN 0.264 nan 8.290 nan 0.000 0.461 424 S N 3.236 118.998 115.700 0.103 0.000 2.510 424 S HA 0.403 4.874 4.470 0.002 0.000 0.279 424 S C -0.000 174.707 174.600 0.178 0.000 1.284 424 S CA -0.361 57.919 58.200 0.134 0.000 1.059 424 S CB 0.371 63.646 63.200 0.125 0.000 0.901 424 S HN 0.467 nan 8.310 nan 0.000 0.491 425 R N 1.451 122.039 120.500 0.147 0.000 2.740 425 R HA 0.540 4.881 4.340 0.002 0.000 0.273 425 R C -1.262 175.087 176.300 0.083 0.000 0.998 425 R CA -0.692 55.490 56.100 0.136 0.000 0.900 425 R CB 1.894 32.283 30.300 0.149 0.000 1.223 425 R HN 0.448 nan 8.270 nan 0.000 0.466 426 S N 2.057 117.790 115.700 0.055 0.000 2.498 426 S HA 0.482 4.953 4.470 0.002 0.000 0.317 426 S C -0.717 173.901 174.600 0.029 0.000 1.090 426 S CA -0.708 57.515 58.200 0.038 0.000 1.089 426 S CB 0.687 63.899 63.200 0.020 0.000 0.997 426 S HN 0.281 nan 8.310 nan 0.000 0.470 427 L N 3.603 124.834 121.223 0.012 0.000 2.313 427 L HA 0.452 4.793 4.340 0.002 0.000 0.283 427 L C -0.529 176.309 176.870 -0.053 0.000 1.013 427 L CA -0.755 54.062 54.840 -0.038 0.000 0.816 427 L CB 1.130 43.131 42.059 -0.097 0.000 1.236 427 L HN 0.640 nan 8.230 nan 0.000 0.419 428 H N 4.508 123.487 119.070 -0.153 0.000 2.661 428 H HA 0.626 5.183 4.556 0.001 0.000 0.290 428 H C -1.097 174.041 175.328 -0.317 0.000 1.082 428 H CA -0.225 55.706 56.048 -0.194 0.000 1.234 428 H CB 0.419 30.161 29.762 -0.034 0.000 1.387 428 H HN 0.410 nan 8.280 nan 0.000 0.476 429 L N 2.775 123.542 121.223 -0.761 0.000 2.235 429 L HA 0.654 4.996 4.340 0.002 0.000 0.260 429 L C -0.235 176.289 176.870 -0.575 0.000 1.025 429 L CA -1.038 53.385 54.840 -0.695 0.000 0.836 429 L CB 2.140 43.719 42.059 -0.800 0.000 1.395 429 L HN 0.434 nan 8.230 nan 0.000 0.443 430 T N 0.438 114.883 114.554 -0.182 0.000 2.965 430 T HA 0.597 4.948 4.350 0.002 0.000 0.306 430 T C -0.069 174.784 174.700 0.254 0.000 0.991 430 T CA -0.044 62.088 62.100 0.054 0.000 1.001 430 T CB 1.337 70.190 68.868 -0.025 0.000 0.984 430 T HN 1.112 nan 8.240 nan 0.000 0.446 431 G N 1.741 110.790 108.800 0.415 0.000 2.750 431 G HA2 0.265 4.227 3.960 0.002 0.000 0.228 431 G HA3 0.265 4.227 3.960 0.002 0.000 0.228 431 G C 0.707 175.828 174.900 0.368 0.000 1.367 431 G CA 0.398 45.660 45.100 0.269 0.000 0.871 431 G HN 1.969 nan 8.290 nan 0.000 0.560 432 G N -2.138 106.758 108.800 0.159 0.000 2.218 432 G HA2 -0.085 3.877 3.960 0.002 0.000 0.216 432 G HA3 -0.085 3.877 3.960 0.002 0.000 0.216 432 G C 0.383 175.282 174.900 -0.001 0.000 0.994 432 G CA 0.549 45.760 45.100 0.186 0.000 0.637 432 G HN 1.578 nan 8.290 nan 0.000 0.505 433 I N 2.948 123.400 120.570 -0.197 0.000 2.312 433 I HA 0.512 4.684 4.170 0.002 0.000 0.290 433 I C 0.354 176.329 176.117 -0.236 0.000 1.008 433 I CA -0.106 60.993 61.300 -0.335 0.000 1.226 433 I CB 1.614 39.236 38.000 -0.629 0.000 1.371 433 I HN 0.231 nan 8.210 nan 0.000 0.468 434 T N 2.641 117.082 114.554 -0.189 0.000 2.861 434 T HA 0.502 4.853 4.350 0.002 0.000 0.287 434 T C -0.678 173.942 174.700 -0.134 0.000 1.003 434 T CA -0.997 61.019 62.100 -0.141 0.000 0.977 434 T CB 2.268 71.076 68.868 -0.099 0.000 0.996 434 T HN 0.542 nan 8.240 nan 0.000 0.448 435 K N 1.975 122.305 120.400 -0.116 0.000 2.579 435 K HA 0.646 4.967 4.320 0.002 0.000 0.250 435 K C -0.249 176.311 176.600 -0.066 0.000 0.952 435 K CA -0.724 55.505 56.287 -0.096 0.000 0.857 435 K CB 1.524 33.952 32.500 -0.120 0.000 1.123 435 K HN 0.933 nan 8.250 nan 0.000 0.433 436 A N 2.794 125.588 122.820 -0.044 0.000 2.445 436 A HA 0.523 4.844 4.320 0.002 0.000 0.242 436 A C 0.097 177.665 177.584 -0.028 0.000 1.075 436 A CA -0.076 51.942 52.037 -0.032 0.000 0.777 436 A CB 0.432 19.421 19.000 -0.020 0.000 1.013 436 A HN 0.849 nan 8.150 nan 0.000 0.493 437 A N 1.784 124.588 122.820 -0.026 0.000 2.386 437 A HA 0.459 4.780 4.320 0.002 0.000 0.248 437 A C 0.909 178.483 177.584 -0.015 0.000 1.082 437 A CA 0.209 52.232 52.037 -0.024 0.000 0.789 437 A CB -0.223 18.763 19.000 -0.023 0.000 1.025 437 A HN 1.373 nan 8.150 nan 0.000 0.490 438 N N -1.653 117.037 118.700 -0.016 0.000 2.863 438 N HA -0.195 4.546 4.740 0.002 0.000 0.245 438 N C -0.164 175.345 175.510 -0.001 0.000 1.001 438 N CA 1.937 54.981 53.050 -0.010 0.000 0.901 438 N CB -1.659 36.824 38.487 -0.007 0.000 1.124 438 N HN 1.012 nan 8.380 nan 0.000 0.582 439 Q N -1.442 118.359 119.800 0.002 0.000 2.495 439 Q HA 0.676 5.017 4.340 0.002 0.000 0.287 439 Q C 0.433 176.434 176.000 0.001 0.000 1.078 439 Q CA -0.901 54.917 55.803 0.025 0.000 0.793 439 Q CB 1.128 29.904 28.738 0.063 0.000 1.459 439 Q HN -0.013 nan 8.270 nan 0.000 0.422 440 R N -0.660 119.836 120.500 -0.007 0.000 2.225 440 R HA 0.223 4.564 4.340 0.002 0.000 0.194 440 R C -0.233 175.971 176.300 -0.160 0.000 0.957 440 R CA 0.049 56.077 56.100 -0.119 0.000 1.042 440 R CB 0.280 30.459 30.300 -0.203 0.000 1.004 440 R HN 0.528 nan 8.270 nan 0.000 0.509 441 Y N 1.299 121.565 120.300 -0.057 0.000 2.526 441 Y HA 0.140 4.689 4.550 -0.002 0.000 0.330 441 Y C 0.525 176.369 175.900 -0.094 0.000 1.156 441 Y CA -0.392 57.669 58.100 -0.064 0.000 1.419 441 Y CB 0.613 39.049 38.460 -0.040 0.000 1.250 441 Y HN 0.069 nan 8.280 nan 0.000 0.540 442 A N 2.711 125.529 122.820 -0.004 0.000 2.342 442 A HA 0.641 4.962 4.320 0.002 0.000 0.323 442 A C -0.402 177.108 177.584 -0.122 0.000 1.125 442 A CA -0.783 51.191 52.037 -0.106 0.000 0.785 442 A CB 0.671 19.537 19.000 -0.223 0.000 1.221 442 A HN 0.638 nan 8.150 nan 0.000 0.463 443 T N 3.752 118.223 114.554 -0.139 0.000 2.771 443 T HA 0.468 4.820 4.350 0.002 0.000 0.291 443 T C -0.027 174.513 174.700 -0.267 0.000 0.954 443 T CA 0.004 62.006 62.100 -0.164 0.000 1.045 443 T CB 0.123 68.936 68.868 -0.093 0.000 0.917 443 T HN 0.393 nan 8.240 nan 0.000 0.484 444 I N 3.358 123.658 120.570 -0.451 0.000 2.378 444 I HA 0.254 4.425 4.170 0.002 0.000 0.291 444 I C 0.002 175.895 176.117 -0.373 0.000 0.992 444 I CA -0.782 60.200 61.300 -0.530 0.000 1.154 444 I CB 1.151 38.603 38.000 -0.913 0.000 1.315 444 I HN 0.723 nan 8.210 nan 0.000 0.448 445 H N 6.043 125.040 119.070 -0.122 0.000 2.685 445 H HA 0.613 5.170 4.556 0.002 0.000 0.286 445 H C -1.493 173.947 175.328 0.187 0.000 1.102 445 H CA -0.314 55.757 56.048 0.038 0.000 1.254 445 H CB 0.802 30.598 29.762 0.057 0.000 1.397 445 H HN 0.305 nan 8.280 nan 0.000 0.473 446 V N 8.239 128.111 119.914 -0.070 0.000 2.409 446 V HA 0.295 4.416 4.120 0.002 0.000 0.290 446 V C -2.316 173.793 176.094 0.025 0.000 1.017 446 V CA -1.937 60.389 62.300 0.043 0.000 0.841 446 V CB 1.547 33.576 31.823 0.343 0.000 1.003 446 V HN 0.778 nan 8.190 nan 0.000 0.426 447 P HA 0.165 nan 4.420 nan 0.000 0.267 447 P C -0.081 177.218 177.300 -0.002 0.000 1.205 447 P CA 0.298 63.357 63.100 -0.069 0.000 0.765 447 P CB 0.237 31.909 31.700 -0.047 0.000 0.828 448 D N 1.236 121.601 120.400 -0.059 0.000 2.686 448 D HA -0.206 4.435 4.640 0.002 0.000 0.235 448 D C 0.947 177.178 176.300 -0.114 0.000 1.160 448 D CA 1.042 54.958 54.000 -0.141 0.000 0.645 448 D CB -1.288 39.470 40.800 -0.070 0.000 1.039 448 D HN 0.709 nan 8.370 nan 0.000 0.423 449 H N -1.522 117.563 119.070 0.025 0.000 2.423 449 H HA 0.135 4.693 4.556 0.002 0.000 0.297 449 H C 1.925 177.244 175.328 -0.015 0.000 1.075 449 H CA 1.526 57.595 56.048 0.034 0.000 1.342 449 H CB -0.233 29.585 29.762 0.095 0.000 1.395 449 H HN 0.314 nan 8.280 nan 0.000 0.530 450 G N 0.279 108.941 108.800 -0.230 0.000 2.168 450 G HA2 -0.305 3.657 3.960 0.002 0.000 0.257 450 G HA3 -0.305 3.657 3.960 0.002 0.000 0.257 450 G C -0.074 174.768 174.900 -0.096 0.000 0.997 450 G CA 0.524 45.615 45.100 -0.015 0.000 0.708 450 G HN 0.459 nan 8.290 nan 0.000 0.520 451 L N -0.667 120.621 121.223 0.108 0.000 2.379 451 L HA 0.803 5.144 4.340 0.002 0.000 0.269 451 L C 0.458 177.278 176.870 -0.082 0.000 1.084 451 L CA -1.139 53.614 54.840 -0.145 0.000 0.802 451 L CB 0.730 42.631 42.059 -0.263 0.000 1.175 451 L HN -0.035 nan 8.230 nan 0.000 0.448 452 F N -0.224 119.752 119.950 0.044 0.000 2.594 452 F HA 0.449 4.974 4.527 -0.003 0.000 0.335 452 F C 0.209 176.007 175.800 -0.003 0.000 1.058 452 F CA -1.357 56.674 58.000 0.051 0.000 0.981 452 F CB 0.983 40.005 39.000 0.035 0.000 1.289 452 F HN -0.067 nan 8.300 nan 0.000 0.490 453 V N 1.602 121.662 119.914 0.244 0.000 2.557 453 V HA 0.305 4.427 4.120 0.002 0.000 0.301 453 V C 0.948 177.099 176.094 0.094 0.000 1.026 453 V CA 1.590 63.969 62.300 0.131 0.000 1.137 453 V CB -0.078 31.808 31.823 0.104 0.000 0.917 453 V HN 1.070 nan 8.190 nan 0.000 0.484 454 G N 3.731 112.566 108.800 0.059 0.000 2.213 454 G HA2 -0.186 3.775 3.960 0.002 0.000 0.236 454 G HA3 -0.186 3.775 3.960 0.002 0.000 0.236 454 G C -0.037 174.873 174.900 0.015 0.000 0.991 454 G CA 0.025 45.146 45.100 0.035 0.000 0.629 454 G HN 0.668 nan 8.290 nan 0.000 0.517 455 D N -0.035 120.365 120.400 0.000 0.000 2.372 455 D HA 0.451 5.092 4.640 0.002 0.000 0.243 455 D C 0.415 176.714 176.300 -0.002 0.000 1.121 455 D CA -0.356 53.627 54.000 -0.028 0.000 0.898 455 D CB 0.510 41.257 40.800 -0.089 0.000 1.202 455 D HN 0.146 nan 8.370 nan 0.000 0.428 456 F N 2.007 121.891 119.950 -0.111 0.000 2.529 456 F HA 0.264 4.787 4.527 -0.008 0.000 0.365 456 F C -0.063 175.685 175.800 -0.087 0.000 1.102 456 F CA -0.164 57.789 58.000 -0.078 0.000 1.271 456 F CB 0.461 39.414 39.000 -0.079 0.000 1.120 456 F HN 0.048 nan 8.300 nan 0.000 0.579 457 V N 3.151 122.648 119.914 -0.695 0.000 2.733 457 V HA 0.471 4.592 4.120 0.002 0.000 0.306 457 V C -1.270 174.322 176.094 -0.836 0.000 1.084 457 V CA -1.042 60.916 62.300 -0.569 0.000 0.905 457 V CB 1.404 33.079 31.823 -0.246 0.000 1.010 457 V HN 0.831 nan 8.190 nan 0.000 0.424 458 N N 2.735 121.054 118.700 -0.636 0.000 2.362 458 N HA 0.780 5.521 4.740 0.002 0.000 0.298 458 N C -1.595 173.678 175.510 -0.394 0.000 1.048 458 N CA -0.466 52.374 53.050 -0.349 0.000 0.858 458 N CB 1.566 40.074 38.487 0.036 0.000 1.218 458 N HN 0.635 nan 8.380 nan 0.000 0.488 459 F N 1.098 121.114 119.950 0.111 0.000 2.520 459 F HA 0.560 5.086 4.527 -0.002 0.000 0.322 459 F C 0.313 176.232 175.800 0.199 0.000 1.103 459 F CA -0.732 57.390 58.000 0.203 0.000 0.926 459 F CB 2.246 41.321 39.000 0.125 0.000 1.154 459 F HN 0.304 nan 8.300 nan 0.000 0.453 460 S N 2.427 118.410 115.700 0.472 0.000 2.547 460 S HA 0.373 4.844 4.470 0.002 0.000 0.281 460 S C -0.434 174.433 174.600 0.446 0.000 1.118 460 S CA -0.708 57.722 58.200 0.383 0.000 0.947 460 S CB 0.572 63.964 63.200 0.320 0.000 1.053 460 S HN 0.774 nan 8.310 nan 0.000 0.482 461 N N 1.902 120.787 118.700 0.308 0.000 2.735 461 N HA -0.172 4.569 4.740 0.002 0.000 0.248 461 N C 0.978 176.628 175.510 0.232 0.000 1.083 461 N CA 1.022 54.225 53.050 0.255 0.000 0.703 461 N CB -1.560 37.107 38.487 0.300 0.000 1.005 461 N HN 0.769 nan 8.380 nan 0.000 0.550 462 S N -0.695 115.101 115.700 0.161 0.000 2.447 462 S HA 0.183 4.654 4.470 0.002 0.000 0.233 462 S C 1.549 176.074 174.600 -0.125 0.000 1.006 462 S CA 1.284 59.465 58.200 -0.032 0.000 0.957 462 S CB 0.072 63.160 63.200 -0.186 0.000 0.773 462 S HN 1.184 nan 8.310 nan 0.000 0.507 463 A N -0.681 122.113 122.820 -0.044 0.000 3.132 463 A HA -0.134 4.187 4.320 0.002 0.000 0.266 463 A C 0.389 177.911 177.584 -0.103 0.000 1.216 463 A CA 1.042 53.048 52.037 -0.053 0.000 0.985 463 A CB -2.393 16.589 19.000 -0.031 0.000 1.102 463 A HN 1.020 nan 8.150 nan 0.000 0.833 464 V N 1.764 121.583 119.914 -0.158 0.000 2.326 464 V HA 0.400 4.521 4.120 0.002 0.000 0.281 464 V C 0.699 176.697 176.094 -0.162 0.000 1.015 464 V CA 0.033 62.224 62.300 -0.181 0.000 0.823 464 V CB 1.225 32.887 31.823 -0.268 0.000 1.009 464 V HN 0.447 nan 8.190 nan 0.000 0.436 465 T N 4.187 118.671 114.554 -0.117 0.000 2.905 465 T HA 0.341 4.692 4.350 0.002 0.000 0.299 465 T C 1.367 175.995 174.700 -0.121 0.000 1.024 465 T CA 1.459 63.501 62.100 -0.097 0.000 1.151 465 T CB 0.467 69.291 68.868 -0.072 0.000 0.987 465 T HN 1.391 nan 8.240 nan 0.000 0.535 466 G N 2.286 111.020 108.800 -0.110 0.000 2.284 466 G HA2 -0.270 3.692 3.960 0.002 0.000 0.230 466 G HA3 -0.270 3.692 3.960 0.002 0.000 0.230 466 G C 0.310 175.110 174.900 -0.168 0.000 1.021 466 G CA -0.167 44.859 45.100 -0.124 0.000 0.619 466 G HN 0.801 nan 8.290 nan 0.000 0.510 467 V N 2.071 121.840 119.914 -0.241 0.000 2.287 467 V HA 0.622 4.744 4.120 0.002 0.000 0.246 467 V C 0.473 176.445 176.094 -0.203 0.000 1.165 467 V CA 0.841 62.902 62.300 -0.398 0.000 1.088 467 V CB 0.494 31.936 31.823 -0.636 0.000 1.242 467 V HN 0.778 nan 8.190 nan 0.000 0.497 468 S N 3.266 118.937 115.700 -0.048 0.000 2.543 468 S HA 0.735 5.206 4.470 0.002 0.000 0.273 468 S C 0.043 174.726 174.600 0.138 0.000 1.152 468 S CA 0.526 58.779 58.200 0.089 0.000 0.910 468 S CB 1.512 64.733 63.200 0.036 0.000 1.105 468 S HN 1.721 nan 8.310 nan 0.000 0.465 469 G N 3.760 112.668 108.800 0.180 0.000 2.601 469 G HA2 -0.176 3.785 3.960 0.002 0.000 0.252 469 G HA3 -0.176 3.785 3.960 0.002 0.000 0.252 469 G C -1.198 173.764 174.900 0.103 0.000 1.294 469 G CA 0.112 45.293 45.100 0.135 0.000 0.912 469 G HN 0.811 nan 8.290 nan 0.000 0.574 470 D N 1.525 121.960 120.400 0.059 0.000 2.382 470 D HA 0.512 5.153 4.640 0.002 0.000 0.259 470 D C 0.970 177.205 176.300 -0.109 0.000 1.224 470 D CA 0.862 54.817 54.000 -0.075 0.000 0.894 470 D CB 0.490 41.378 40.800 0.147 0.000 1.127 470 D HN 0.514 nan 8.370 nan 0.000 0.487 471 M N 0.595 120.047 119.600 -0.246 0.000 2.745 471 M HA 0.453 4.935 4.480 0.002 0.000 0.290 471 M C 0.061 176.256 176.300 -0.174 0.000 1.262 471 M CA -0.877 54.371 55.300 -0.087 0.000 0.795 471 M CB 2.335 35.009 32.600 0.124 0.000 1.758 471 M HN 0.225 nan 8.290 nan 0.000 0.461 472 T N -1.606 112.929 114.554 -0.031 0.000 2.906 472 T HA 0.648 4.999 4.350 0.002 0.000 0.295 472 T C -0.574 174.166 174.700 0.066 0.000 1.075 472 T CA -0.889 61.203 62.100 -0.013 0.000 1.005 472 T CB 1.380 70.255 68.868 0.011 0.000 1.136 472 T HN 0.363 nan 8.240 nan 0.000 0.498 473 V N 2.491 122.429 119.914 0.040 0.000 2.479 473 V HA 0.420 4.541 4.120 0.002 0.000 0.281 473 V C 1.495 177.669 176.094 0.133 0.000 1.031 473 V CA 0.445 62.803 62.300 0.095 0.000 1.038 473 V CB 0.057 31.832 31.823 -0.080 0.000 0.981 473 V HN 1.212 nan 8.190 nan 0.000 0.478 474 A N 4.323 127.263 122.820 0.199 0.000 1.887 474 A HA 0.210 4.532 4.320 0.002 0.000 0.212 474 A C 1.176 178.865 177.584 0.175 0.000 1.198 474 A CA 1.123 53.281 52.037 0.201 0.000 0.628 474 A CB 0.192 19.376 19.000 0.307 0.000 0.847 474 A HN 0.680 nan 8.150 nan 0.000 0.449 475 T N -1.515 113.153 114.554 0.190 0.000 2.883 475 T HA 0.524 4.875 4.350 0.002 0.000 0.301 475 T C -1.784 173.040 174.700 0.206 0.000 1.158 475 T CA -0.351 61.839 62.100 0.150 0.000 1.007 475 T CB 1.707 70.621 68.868 0.077 0.000 1.186 475 T HN 0.120 nan 8.240 nan 0.000 0.499 476 V N 5.206 125.240 119.914 0.200 0.000 2.357 476 V HA 0.423 4.545 4.120 0.002 0.000 0.284 476 V C 1.085 177.305 176.094 0.209 0.000 1.018 476 V CA -0.426 62.032 62.300 0.265 0.000 0.841 476 V CB 1.070 33.089 31.823 0.327 0.000 0.991 476 V HN 0.868 nan 8.190 nan 0.000 0.437 477 I N 2.884 123.580 120.570 0.209 0.000 2.235 477 I HA -0.001 4.170 4.170 0.002 0.000 0.241 477 I C 0.885 177.097 176.117 0.157 0.000 1.085 477 I CA 1.387 62.776 61.300 0.149 0.000 1.378 477 I CB 0.165 38.238 38.000 0.122 0.000 1.076 477 I HN 0.872 nan 8.210 nan 0.000 0.415 478 D N -1.384 119.143 120.400 0.211 0.000 3.057 478 D HA 0.093 4.734 4.640 0.002 0.000 0.328 478 D C 0.320 176.745 176.300 0.208 0.000 1.317 478 D CA -0.726 53.379 54.000 0.175 0.000 0.973 478 D CB 0.158 41.034 40.800 0.128 0.000 1.424 478 D HN -0.028 nan 8.370 nan 0.000 0.569 479 K N -1.025 119.423 120.400 0.079 0.000 2.365 479 K HA 0.060 4.381 4.320 0.002 0.000 0.199 479 K C -0.047 176.478 176.600 -0.125 0.000 1.045 479 K CA 1.057 57.284 56.287 -0.099 0.000 0.962 479 K CB -0.106 32.309 32.500 -0.141 0.000 0.759 479 K HN 0.209 nan 8.250 nan 0.000 0.469 480 D N -0.016 120.471 120.400 0.145 0.000 2.474 480 D HA 0.112 4.754 4.640 0.002 0.000 0.213 480 D C -0.432 176.089 176.300 0.367 0.000 1.120 480 D CA 0.028 54.157 54.000 0.216 0.000 0.836 480 D CB 0.383 41.281 40.800 0.162 0.000 1.019 480 D HN 0.167 nan 8.370 nan 0.000 0.507 481 N N 0.732 119.695 118.700 0.438 0.000 2.235 481 N HA 0.394 5.135 4.740 0.002 0.000 0.293 481 N C -0.946 174.748 175.510 0.306 0.000 1.083 481 N CA -0.465 52.756 53.050 0.285 0.000 0.801 481 N CB 2.488 41.098 38.487 0.206 0.000 1.559 481 N HN -0.066 nan 8.380 nan 0.000 0.472 482 F N -1.377 118.581 119.950 0.013 0.000 2.664 482 F HA 0.731 5.259 4.527 0.002 0.000 0.317 482 F C -0.285 175.529 175.800 0.025 0.000 1.108 482 F CA -0.960 57.030 58.000 -0.016 0.000 0.957 482 F CB 1.384 40.279 39.000 -0.176 0.000 1.365 482 F HN 0.281 nan 8.300 nan 0.000 0.475 483 T N 0.176 114.854 114.554 0.207 0.000 2.885 483 T HA 0.769 5.121 4.350 0.002 0.000 0.285 483 T C -0.814 174.036 174.700 0.250 0.000 1.019 483 T CA -0.448 61.725 62.100 0.121 0.000 1.010 483 T CB 1.475 70.427 68.868 0.139 0.000 1.022 483 T HN 1.506 nan 8.240 nan 0.000 0.466 484 V N 0.924 120.916 119.914 0.131 0.000 2.769 484 V HA 0.808 4.930 4.120 0.002 0.000 0.312 484 V C -0.602 175.482 176.094 -0.016 0.000 1.061 484 V CA -1.325 61.038 62.300 0.105 0.000 0.931 484 V CB 1.417 33.272 31.823 0.053 0.000 1.010 484 V HN 0.963 nan 8.190 nan 0.000 0.433 485 L N 4.700 125.858 121.223 -0.109 0.000 2.261 485 L HA 0.652 4.993 4.340 0.002 0.000 0.289 485 L C 0.701 177.410 176.870 -0.269 0.000 1.059 485 L CA 0.606 55.207 54.840 -0.398 0.000 0.816 485 L CB 0.937 42.694 42.059 -0.504 0.000 1.191 485 L HN 1.147 nan 8.230 nan 0.000 0.431 486 T N 2.635 117.025 114.554 -0.273 0.000 2.849 486 T HA 0.511 4.862 4.350 0.002 0.000 0.284 486 T C -1.957 172.640 174.700 -0.172 0.000 1.004 486 T CA -1.414 60.569 62.100 -0.195 0.000 1.021 486 T CB 1.094 69.852 68.868 -0.183 0.000 1.013 486 T HN 0.593 nan 8.240 nan 0.000 0.527 487 P HA 0.221 nan 4.420 nan 0.000 0.258 487 P C -0.813 176.438 177.300 -0.082 0.000 1.416 487 P CA -0.276 62.767 63.100 -0.095 0.000 0.927 487 P CB -0.483 31.177 31.700 -0.066 0.000 1.444 488 N N -0.617 118.028 118.700 -0.092 0.000 2.934 488 N HA 0.403 5.144 4.740 0.002 0.000 0.253 488 N C -1.275 174.189 175.510 -0.077 0.000 1.466 488 N CA -0.855 52.151 53.050 -0.073 0.000 0.858 488 N CB 0.951 39.401 38.487 -0.060 0.000 1.459 488 N HN -0.084 nan 8.380 nan 0.000 0.532 489 Q N -1.201 118.564 119.800 -0.059 0.000 2.456 489 Q HA 0.653 4.995 4.340 0.002 0.000 0.284 489 Q C -1.578 174.396 176.000 -0.044 0.000 1.061 489 Q CA -0.932 54.840 55.803 -0.052 0.000 0.799 489 Q CB 1.937 30.650 28.738 -0.040 0.000 1.445 489 Q HN 0.558 nan 8.270 nan 0.000 0.411 490 Q N 0.183 119.957 119.800 -0.042 0.000 2.399 490 Q HA 0.366 4.708 4.340 0.002 0.000 0.276 490 Q C 0.326 176.308 176.000 -0.030 0.000 1.098 490 Q CA -0.065 55.716 55.803 -0.037 0.000 0.827 490 Q CB 2.220 30.932 28.738 -0.044 0.000 1.386 490 Q HN 0.897 nan 8.270 nan 0.000 0.443 491 T N -3.135 111.403 114.554 -0.026 0.000 2.985 491 T HA 0.036 4.387 4.350 0.002 0.000 0.266 491 T C 0.752 175.438 174.700 -0.023 0.000 1.076 491 T CA 0.736 62.823 62.100 -0.022 0.000 1.135 491 T CB -0.028 68.829 68.868 -0.018 0.000 0.890 491 T HN 0.479 nan 8.240 nan 0.000 0.480 492 S N 0.673 116.358 115.700 -0.026 0.000 2.621 492 S HA 0.566 5.037 4.470 0.002 0.000 0.302 492 S C -1.069 173.510 174.600 -0.034 0.000 1.093 492 S CA -1.057 57.127 58.200 -0.027 0.000 1.017 492 S CB 1.438 64.623 63.200 -0.026 0.000 1.077 492 S HN 0.114 nan 8.310 nan 0.000 0.517 493 D N 0.717 121.096 120.400 -0.034 0.000 2.400 493 D HA 0.463 5.104 4.640 0.002 0.000 0.238 493 D C -0.603 175.667 176.300 -0.050 0.000 1.157 493 D CA 0.271 54.246 54.000 -0.041 0.000 0.889 493 D CB 0.259 41.037 40.800 -0.038 0.000 1.199 493 D HN 0.415 nan 8.370 nan 0.000 0.436 494 L N 2.237 123.422 121.223 -0.064 0.000 2.362 494 L HA 0.492 4.833 4.340 0.002 0.000 0.271 494 L C -0.199 176.617 176.870 -0.091 0.000 1.002 494 L CA -0.727 54.065 54.840 -0.078 0.000 0.818 494 L CB 1.593 43.595 42.059 -0.095 0.000 1.298 494 L HN 0.224 nan 8.230 nan 0.000 0.420 495 N N 0.939 119.586 118.700 -0.089 0.000 2.537 495 N HA 0.206 4.947 4.740 0.002 0.000 0.281 495 N C -0.838 174.620 175.510 -0.086 0.000 1.097 495 N CA -0.557 52.437 53.050 -0.093 0.000 0.964 495 N CB 1.116 39.562 38.487 -0.068 0.000 1.588 495 N HN 0.572 nan 8.380 nan 0.000 0.511 496 N N 2.143 120.775 118.700 -0.114 0.000 2.295 496 N HA 0.170 4.911 4.740 0.002 0.000 0.221 496 N C -0.222 175.274 175.510 -0.023 0.000 1.129 496 N CA -0.303 52.693 53.050 -0.090 0.000 0.836 496 N CB -0.050 38.333 38.487 -0.174 0.000 1.040 496 N HN 0.543 nan 8.380 nan 0.000 0.494 497 A N 0.016 122.825 122.820 -0.018 0.000 2.566 497 A HA 0.440 4.761 4.320 0.002 0.000 0.245 497 A C 1.567 179.164 177.584 0.022 0.000 1.056 497 A CA 0.553 52.597 52.037 0.012 0.000 0.757 497 A CB -0.871 18.126 19.000 -0.005 0.000 0.979 497 A HN 0.978 nan 8.150 nan 0.000 0.508 498 G N 1.878 110.702 108.800 0.040 0.000 2.176 498 G HA2 -0.229 3.733 3.960 0.002 0.000 0.253 498 G HA3 -0.229 3.733 3.960 0.002 0.000 0.253 498 G C 0.132 175.058 174.900 0.043 0.000 0.979 498 G CA 0.776 45.896 45.100 0.033 0.000 0.641 498 G HN 0.893 nan 8.290 nan 0.000 0.530 499 K N 0.610 121.053 120.400 0.070 0.000 2.221 499 K HA 0.484 4.805 4.320 0.002 0.000 0.258 499 K C -0.599 176.097 176.600 0.160 0.000 0.944 499 K CA -0.999 55.341 56.287 0.088 0.000 0.823 499 K CB 0.978 33.518 32.500 0.068 0.000 1.113 499 K HN 0.078 nan 8.250 nan 0.000 0.431 500 N N 3.282 122.040 118.700 0.097 0.000 2.472 500 N HA 0.286 5.027 4.740 0.002 0.000 0.277 500 N C -0.739 174.826 175.510 0.092 0.000 1.081 500 N CA -0.231 52.825 53.050 0.009 0.000 0.973 500 N CB 0.651 39.102 38.487 -0.060 0.000 1.105 500 N HN 0.595 nan 8.380 nan 0.000 0.470 501 W N 0.871 122.022 121.300 -0.248 0.000 3.003 501 W HA 0.468 5.128 4.660 0.000 0.000 0.362 501 W C -1.466 174.831 176.519 -0.370 0.000 1.213 501 W CA -0.623 56.572 57.345 -0.248 0.000 1.157 501 W CB 0.312 29.758 29.460 -0.025 0.000 1.493 501 W HN 0.400 nan 8.180 nan 0.000 0.589 502 H N 0.844 120.115 119.070 0.336 0.000 2.717 502 H HA 0.737 5.294 4.556 0.001 0.000 0.366 502 H C -0.536 174.879 175.328 0.146 0.000 1.132 502 H CA -0.793 55.311 56.048 0.093 0.000 1.180 502 H CB 3.009 32.849 29.762 0.129 0.000 1.678 502 H HN 0.309 nan 8.280 nan 0.000 0.537 503 M N 1.114 120.744 119.600 0.050 0.000 2.520 503 M HA 0.519 5.001 4.480 0.002 0.000 0.283 503 M C -0.614 175.683 176.300 -0.004 0.000 1.237 503 M CA -0.176 55.106 55.300 -0.029 0.000 0.885 503 M CB 2.362 34.935 32.600 -0.045 0.000 1.727 503 M HN 0.951 nan 8.290 nan 0.000 0.468 504 G N 0.907 109.714 108.800 0.010 0.000 2.731 504 G HA2 -0.059 3.903 3.960 0.002 0.000 0.219 504 G HA3 -0.059 3.903 3.960 0.002 0.000 0.219 504 G C -0.391 174.550 174.900 0.069 0.000 0.989 504 G CA 0.077 45.160 45.100 -0.028 0.000 0.871 504 G HN 0.872 nan 8.290 nan 0.000 0.591 505 T N -1.781 112.849 114.554 0.126 0.000 2.945 505 T HA 0.781 5.132 4.350 0.002 0.000 0.286 505 T C -0.258 174.559 174.700 0.195 0.000 1.025 505 T CA -0.187 62.020 62.100 0.178 0.000 1.039 505 T CB 2.386 71.304 68.868 0.084 0.000 1.068 505 T HN 1.058 nan 8.240 nan 0.000 0.497 506 S N 0.963 116.758 115.700 0.158 0.000 2.720 506 S HA 0.373 4.844 4.470 0.002 0.000 0.278 506 S C 0.042 174.629 174.600 -0.023 0.000 1.172 506 S CA -0.851 57.340 58.200 -0.015 0.000 1.019 506 S CB 0.708 63.656 63.200 -0.421 0.000 1.049 506 S HN 0.726 nan 8.310 nan 0.000 0.483 507 F N 4.699 124.580 119.950 -0.114 0.000 2.075 507 F HA -0.042 4.491 4.527 0.009 0.000 0.297 507 F C 2.114 177.793 175.800 -0.201 0.000 1.113 507 F CA 2.641 60.538 58.000 -0.171 0.000 1.218 507 F CB -0.365 38.584 39.000 -0.085 0.000 0.984 507 F HN 0.959 nan 8.300 nan 0.000 0.472 508 H N 0.329 119.376 119.070 -0.038 0.000 2.353 508 H HA -0.050 4.512 4.556 0.009 0.000 0.300 508 H C 1.711 176.884 175.328 -0.260 0.000 1.090 508 H CA 1.893 57.860 56.048 -0.134 0.000 1.327 508 H CB -0.117 29.622 29.762 -0.038 0.000 1.383 508 H HN 0.061 nan 8.280 nan 0.000 0.508 509 K N 0.440 120.588 120.400 -0.421 0.000 2.444 509 K HA 0.162 4.483 4.320 0.002 0.000 0.193 509 K C -0.072 176.364 176.600 -0.273 0.000 1.024 509 K CA 0.131 56.145 56.287 -0.454 0.000 1.077 509 K CB 0.640 32.743 32.500 -0.661 0.000 0.833 509 K HN 0.146 nan 8.250 nan 0.000 0.517 510 S N 2.277 117.786 115.700 -0.318 0.000 2.501 510 S HA 0.402 4.873 4.470 0.002 0.000 0.301 510 S C -2.435 171.912 174.600 -0.422 0.000 1.096 510 S CA -1.279 56.755 58.200 -0.276 0.000 1.063 510 S CB 2.070 65.124 63.200 -0.243 0.000 1.042 510 S HN 0.044 nan 8.310 nan 0.000 0.494 511 P HA 0.235 nan 4.420 nan 0.000 0.276 511 P C -1.086 175.983 177.300 -0.385 0.000 1.252 511 P CA -0.725 62.182 63.100 -0.322 0.000 0.802 511 P CB 0.477 32.074 31.700 -0.172 0.000 1.035 512 W N 0.811 121.893 121.300 -0.364 0.000 2.216 512 W HA 0.276 4.934 4.660 -0.003 0.000 0.326 512 W C 1.431 177.752 176.519 -0.331 0.000 1.319 512 W CA -0.152 56.956 57.345 -0.395 0.000 1.213 512 W CB 0.274 29.376 29.460 -0.596 0.000 1.171 512 W HN 0.248 nan 8.180 nan 0.000 0.557 513 R N 3.654 124.164 120.500 0.016 0.000 2.234 513 R HA 0.222 4.563 4.340 0.002 0.000 0.324 513 R C -0.675 175.575 176.300 -0.082 0.000 1.054 513 R CA -0.354 55.734 56.100 -0.020 0.000 0.912 513 R CB 0.294 30.631 30.300 0.061 0.000 1.030 513 R HN 0.429 nan 8.270 nan 0.000 0.455 514 K N 3.288 123.577 120.400 -0.185 0.000 2.339 514 K HA 0.235 4.556 4.320 0.002 0.000 0.264 514 K C -1.084 175.492 176.600 -0.040 0.000 0.986 514 K CA -0.557 55.588 56.287 -0.237 0.000 0.866 514 K CB 2.237 34.416 32.500 -0.536 0.000 1.103 514 K HN 0.456 nan 8.250 nan 0.000 0.441 515 T N 1.915 116.514 114.554 0.075 0.000 2.770 515 T HA 0.063 4.414 4.350 0.002 0.000 0.297 515 T C -0.598 174.181 174.700 0.132 0.000 0.997 515 T CA -0.611 61.545 62.100 0.093 0.000 0.949 515 T CB 0.601 69.539 68.868 0.117 0.000 0.941 515 T HN 0.381 nan 8.240 nan 0.000 0.457 516 D N 3.062 123.524 120.400 0.102 0.000 2.371 516 D HA 0.098 4.740 4.640 0.002 0.000 0.256 516 D C 0.655 177.017 176.300 0.104 0.000 1.193 516 D CA -0.251 53.814 54.000 0.109 0.000 0.881 516 D CB 0.729 41.579 40.800 0.083 0.000 1.143 516 D HN 0.468 nan 8.370 nan 0.000 0.473 517 L N 3.140 124.427 121.223 0.106 0.000 2.640 517 L HA 0.296 4.637 4.340 0.002 0.000 0.230 517 L C 1.564 178.478 176.870 0.073 0.000 1.123 517 L CA -0.040 54.866 54.840 0.109 0.000 0.900 517 L CB -0.466 41.651 42.059 0.096 0.000 1.146 517 L HN 0.640 nan 8.230 nan 0.000 0.484 518 G N 1.318 110.154 108.800 0.060 0.000 2.645 518 G HA2 -0.325 3.637 3.960 0.002 0.000 0.246 518 G HA3 -0.325 3.637 3.960 0.002 0.000 0.246 518 G C -0.624 174.292 174.900 0.027 0.000 1.322 518 G CA -0.307 44.819 45.100 0.043 0.000 0.898 518 G HN 0.042 nan 8.290 nan 0.000 0.573 519 L N 1.272 122.506 121.223 0.018 0.000 2.356 519 L HA 0.534 4.875 4.340 0.002 0.000 0.282 519 L C 0.981 177.855 176.870 0.006 0.000 1.132 519 L CA -0.498 54.346 54.840 0.007 0.000 0.923 519 L CB -0.443 41.618 42.059 0.004 0.000 1.278 519 L HN 0.422 nan 8.230 nan 0.000 0.436 520 I N 6.966 127.528 120.570 -0.013 0.000 2.741 520 I HA 0.018 4.190 4.170 0.002 0.000 0.288 520 I C -1.670 174.455 176.117 0.014 0.000 1.192 520 I CA -1.259 60.026 61.300 -0.025 0.000 1.426 520 I CB -0.032 37.866 38.000 -0.170 0.000 1.367 520 I HN 0.484 nan 8.210 nan 0.000 0.563 521 P HA 0.088 nan 4.420 nan 0.000 0.271 521 P C -0.156 177.196 177.300 0.086 0.000 1.218 521 P CA -0.097 63.036 63.100 0.054 0.000 0.780 521 P CB 0.704 32.435 31.700 0.052 0.000 0.901 522 S N -1.080 114.670 115.700 0.085 0.000 3.711 522 S HA -0.074 4.397 4.470 0.002 0.000 0.374 522 S C -0.153 174.549 174.600 0.171 0.000 0.969 522 S CA 0.475 58.746 58.200 0.119 0.000 1.198 522 S CB -1.660 61.622 63.200 0.137 0.000 0.903 522 S HN 0.365 nan 8.310 nan 0.000 0.493 523 V N 0.637 120.627 119.914 0.126 0.000 2.623 523 V HA 0.403 4.524 4.120 0.002 0.000 0.304 523 V C 0.936 177.054 176.094 0.040 0.000 1.054 523 V CA -0.443 61.949 62.300 0.154 0.000 0.882 523 V CB 2.186 34.107 31.823 0.162 0.000 1.002 523 V HN 0.495 nan 8.190 nan 0.000 0.424 524 T N 2.582 117.098 114.554 -0.063 0.000 2.988 524 T HA 0.244 4.596 4.350 0.002 0.000 0.240 524 T C 0.289 174.903 174.700 -0.142 0.000 1.014 524 T CA 0.515 62.514 62.100 -0.168 0.000 1.155 524 T CB 0.322 68.992 68.868 -0.331 0.000 0.872 524 T HN 0.655 nan 8.240 nan 0.000 0.440 525 E N 0.542 120.641 120.200 -0.169 0.000 2.331 525 E HA 0.525 4.876 4.350 0.002 0.000 0.275 525 E C -1.635 175.101 176.600 0.227 0.000 0.895 525 E CA -0.512 55.927 56.400 0.065 0.000 0.753 525 E CB 3.113 32.916 29.700 0.171 0.000 1.216 525 E HN -0.067 nan 8.360 nan 0.000 0.434 526 V N 3.145 123.229 119.914 0.283 0.000 2.439 526 V HA 0.317 4.438 4.120 0.002 0.000 0.282 526 V C -0.231 176.098 176.094 0.391 0.000 1.039 526 V CA -0.359 62.159 62.300 0.363 0.000 0.913 526 V CB 1.131 33.137 31.823 0.306 0.000 0.983 526 V HN 0.609 nan 8.190 nan 0.000 0.460 527 H N 3.836 123.084 119.070 0.297 0.000 3.042 527 H HA 0.450 5.008 4.556 0.002 0.000 0.345 527 H C -0.587 174.914 175.328 0.288 0.000 1.052 527 H CA 0.666 56.879 56.048 0.275 0.000 1.311 527 H CB 1.966 31.896 29.762 0.279 0.000 1.810 527 H HN 0.837 nan 8.280 nan 0.000 0.505 528 S N 3.060 118.663 115.700 -0.162 0.000 3.425 528 S HA -0.120 4.351 4.470 0.002 0.000 0.815 528 S C -1.567 173.180 174.600 0.244 0.000 1.102 528 S CA 0.131 58.330 58.200 -0.002 0.000 1.114 528 S CB -0.580 62.666 63.200 0.077 0.000 0.716 528 S HN 0.621 nan 8.310 nan 0.000 0.321 529 F N 2.177 122.179 119.950 0.087 0.000 2.588 529 F HA 0.666 5.194 4.527 0.002 0.000 0.318 529 F C -0.397 175.474 175.800 0.120 0.000 1.155 529 F CA 0.422 58.477 58.000 0.091 0.000 0.967 529 F CB 1.546 40.542 39.000 -0.006 0.000 1.236 529 F HN 0.944 nan 8.300 nan 0.000 0.455 530 A N 4.093 126.888 122.820 -0.042 0.000 2.340 530 A HA 0.562 4.883 4.320 0.002 0.000 0.297 530 A C -0.598 176.983 177.584 -0.005 0.000 1.195 530 A CA -0.592 51.501 52.037 0.094 0.000 0.769 530 A CB 0.574 19.671 19.000 0.160 0.000 1.163 530 A HN 0.643 nan 8.150 nan 0.000 0.472 531 T N 3.727 118.395 114.554 0.191 0.000 2.867 531 T HA 0.148 4.499 4.350 0.002 0.000 0.297 531 T C 1.331 176.131 174.700 0.168 0.000 0.989 531 T CA 0.039 62.284 62.100 0.243 0.000 1.159 531 T CB 0.221 69.290 68.868 0.334 0.000 0.928 531 T HN 0.450 nan 8.240 nan 0.000 0.538 532 I N 2.106 122.732 120.570 0.093 0.000 2.512 532 I HA 0.161 4.333 4.170 0.002 0.000 0.247 532 I C 1.040 177.225 176.117 0.113 0.000 1.094 532 I CA 0.934 62.172 61.300 -0.103 0.000 1.427 532 I CB -0.522 37.359 38.000 -0.199 0.000 1.149 532 I HN 0.735 nan 8.210 nan 0.000 0.438 533 D N -2.151 118.338 120.400 0.148 0.000 3.309 533 D HA 0.031 4.673 4.640 0.002 0.000 0.335 533 D C 0.309 176.702 176.300 0.155 0.000 1.393 533 D CA -0.538 53.556 54.000 0.156 0.000 0.963 533 D CB 0.128 41.006 40.800 0.129 0.000 1.431 533 D HN -0.228 nan 8.370 nan 0.000 0.583 534 N N -1.359 117.407 118.700 0.111 0.000 2.512 534 N HA 0.058 4.800 4.740 0.002 0.000 0.183 534 N C 0.384 175.924 175.510 0.050 0.000 1.073 534 N CA 1.092 54.184 53.050 0.070 0.000 0.911 534 N CB -0.156 38.339 38.487 0.014 0.000 0.964 534 N HN 0.404 nan 8.380 nan 0.000 0.447 535 N N -1.914 116.844 118.700 0.096 0.000 2.407 535 N HA 0.255 4.996 4.740 0.002 0.000 0.182 535 N C 0.411 176.016 175.510 0.158 0.000 1.079 535 N CA 0.223 53.346 53.050 0.121 0.000 0.882 535 N CB 0.997 39.521 38.487 0.061 0.000 1.106 535 N HN 0.093 nan 8.380 nan 0.000 0.461 536 G N -0.122 108.729 108.800 0.085 0.000 2.634 536 G HA2 0.565 4.526 3.960 0.002 0.000 0.309 536 G HA3 0.565 4.526 3.960 0.002 0.000 0.309 536 G C -1.938 172.964 174.900 0.004 0.000 1.299 536 G CA -0.711 44.304 45.100 -0.141 0.000 0.798 536 G HN 0.122 nan 8.290 nan 0.000 0.490 537 F N -2.504 117.428 119.950 -0.031 0.000 2.773 537 F HA 0.892 5.419 4.527 0.001 0.000 0.314 537 F C -0.380 175.437 175.800 0.028 0.000 1.160 537 F CA -1.393 56.519 58.000 -0.147 0.000 0.920 537 F CB 1.124 39.771 39.000 -0.588 0.000 1.323 537 F HN 1.059 nan 8.300 nan 0.000 0.457 538 A N 1.696 124.642 122.820 0.210 0.000 2.356 538 A HA 0.923 5.245 4.320 0.002 0.000 0.323 538 A C -1.194 176.515 177.584 0.209 0.000 1.119 538 A CA -0.926 51.287 52.037 0.293 0.000 0.790 538 A CB 1.563 20.687 19.000 0.207 0.000 1.273 538 A HN 0.811 nan 8.150 nan 0.000 0.452 539 M N 1.520 121.344 119.600 0.374 0.000 2.326 539 M HA 0.448 4.929 4.480 0.002 0.000 0.306 539 M C 0.469 177.005 176.300 0.393 0.000 1.054 539 M CA -0.425 55.090 55.300 0.358 0.000 0.922 539 M CB 2.302 35.177 32.600 0.458 0.000 1.632 539 M HN 0.888 nan 8.290 nan 0.000 0.436 540 G N 1.829 110.844 108.800 0.357 0.000 2.539 540 G HA2 0.491 4.452 3.960 0.002 0.000 0.258 540 G HA3 0.491 4.452 3.960 0.002 0.000 0.258 540 G C -1.423 173.732 174.900 0.424 0.000 1.202 540 G CA -0.024 45.289 45.100 0.355 0.000 0.851 540 G HN 0.805 nan 8.290 nan 0.000 0.556 541 Y N -0.118 120.269 120.300 0.145 0.000 2.638 541 Y HA 0.732 5.283 4.550 0.002 0.000 0.335 541 Y C -0.820 175.169 175.900 0.149 0.000 1.155 541 Y CA -1.412 56.771 58.100 0.138 0.000 1.046 541 Y CB 1.544 40.017 38.460 0.022 0.000 1.303 541 Y HN 0.900 nan 8.280 nan 0.000 0.460 542 H N 1.311 120.337 119.070 -0.074 0.000 3.016 542 H HA 0.467 5.024 4.556 0.002 0.000 0.362 542 H C -1.997 173.383 175.328 0.087 0.000 1.233 542 H CA -0.934 54.987 56.048 -0.212 0.000 1.124 542 H CB 2.408 32.089 29.762 -0.135 0.000 1.850 542 H HN 0.792 nan 8.280 nan 0.000 0.549 543 Q N 1.155 120.964 119.800 0.015 0.000 2.310 543 Q HA 0.405 4.746 4.340 0.002 0.000 0.270 543 Q C -0.761 175.307 176.000 0.113 0.000 1.025 543 Q CA -0.412 55.407 55.803 0.027 0.000 0.772 543 Q CB 1.622 30.445 28.738 0.142 0.000 1.253 543 Q HN 1.058 nan 8.270 nan 0.000 0.450 544 G N 3.226 112.087 108.800 0.102 0.000 4.424 544 G HA2 0.120 4.082 3.960 0.002 0.000 0.287 544 G HA3 0.120 4.082 3.960 0.002 0.000 0.287 544 G C 0.038 174.989 174.900 0.086 0.000 1.023 544 G CA -0.199 44.994 45.100 0.154 0.000 0.790 544 G HN 0.564 nan 8.290 nan 0.000 0.468 545 D N 0.171 120.601 120.400 0.050 0.000 2.380 545 D HA 0.098 4.739 4.640 0.002 0.000 0.212 545 D C 1.240 177.558 176.300 0.030 0.000 1.021 545 D CA 0.745 54.764 54.000 0.033 0.000 0.884 545 D CB 1.484 42.292 40.800 0.014 0.000 1.001 545 D HN 0.354 nan 8.370 nan 0.000 0.506 546 V N -1.842 118.094 119.914 0.035 0.000 3.001 546 V HA 0.846 4.967 4.120 0.002 0.000 0.314 546 V C -0.529 175.587 176.094 0.036 0.000 1.099 546 V CA -1.434 60.885 62.300 0.032 0.000 0.989 546 V CB 1.719 33.559 31.823 0.029 0.000 1.040 546 V HN -0.008 nan 8.190 nan 0.000 0.434 547 A N 3.154 125.992 122.820 0.029 0.000 2.327 547 A HA 0.864 5.185 4.320 0.002 0.000 0.283 547 A C -1.575 176.027 177.584 0.029 0.000 1.127 547 A CA -1.100 50.953 52.037 0.027 0.000 0.810 547 A CB -0.316 18.695 19.000 0.019 0.000 1.066 547 A HN 0.961 nan 8.150 nan 0.000 0.492 548 P HA 0.396 nan 4.420 nan 0.000 0.282 548 P C -0.468 176.857 177.300 0.041 0.000 1.259 548 P CA -0.767 62.351 63.100 0.030 0.000 0.826 548 P CB 0.725 32.441 31.700 0.026 0.000 1.064 549 R N 0.875 121.396 120.500 0.036 0.000 2.594 549 R HA 0.172 4.514 4.340 0.002 0.000 0.272 549 R C -0.104 176.218 176.300 0.037 0.000 1.074 549 R CA 0.051 56.178 56.100 0.046 0.000 1.105 549 R CB 0.373 30.695 30.300 0.037 0.000 1.008 549 R HN 0.473 nan 8.270 nan 0.000 0.472 550 E N 2.214 122.441 120.200 0.045 0.000 2.238 550 E HA 0.398 4.749 4.350 0.002 0.000 0.267 550 E C -1.406 175.101 176.600 -0.155 0.000 0.887 550 E CA -0.953 55.447 56.400 -0.000 0.000 0.769 550 E CB 2.524 32.300 29.700 0.127 0.000 1.187 550 E HN 0.228 nan 8.360 nan 0.000 0.416 551 V N 1.619 121.372 119.914 -0.268 0.000 2.733 551 V HA 0.793 4.914 4.120 0.002 0.000 0.306 551 V C 0.232 176.029 176.094 -0.495 0.000 1.084 551 V CA -0.391 61.655 62.300 -0.423 0.000 0.905 551 V CB 1.584 33.267 31.823 -0.233 0.000 1.010 551 V HN 0.926 nan 8.190 nan 0.000 0.424 552 G N 3.584 111.969 108.800 -0.691 0.000 2.565 552 G HA2 0.632 4.593 3.960 0.002 0.000 0.142 552 G HA3 0.632 4.593 3.960 0.002 0.000 0.142 552 G C -1.787 173.091 174.900 -0.038 0.000 1.181 552 G CA 0.128 45.070 45.100 -0.263 0.000 1.066 552 G HN 1.255 nan 8.290 nan 0.000 0.530 553 L N -2.768 118.587 121.223 0.219 0.000 2.415 553 L HA 0.938 5.280 4.340 0.002 0.000 0.256 553 L C -1.614 175.271 176.870 0.025 0.000 1.010 553 L CA -1.115 53.865 54.840 0.234 0.000 0.826 553 L CB 1.704 43.928 42.059 0.275 0.000 1.405 553 L HN 0.355 nan 8.230 nan 0.000 0.410 554 F N 1.438 121.560 119.950 0.287 0.000 2.426 554 F HA 0.511 5.040 4.527 0.003 0.000 0.348 554 F C -0.653 175.245 175.800 0.163 0.000 1.124 554 F CA -0.366 57.696 58.000 0.104 0.000 1.008 554 F CB 1.499 40.432 39.000 -0.111 0.000 1.139 554 F HN 0.480 nan 8.300 nan 0.000 0.452 555 Y N 4.370 124.738 120.300 0.114 0.000 2.335 555 Y HA 0.491 5.043 4.550 0.003 0.000 0.339 555 Y C -1.414 174.395 175.900 -0.151 0.000 0.987 555 Y CA -2.081 56.027 58.100 0.014 0.000 1.140 555 Y CB 0.469 38.917 38.460 -0.020 0.000 1.173 555 Y HN 0.444 nan 8.280 nan 0.000 0.486 556 F N 9.259 128.907 119.950 -0.502 0.000 2.309 556 F HA 0.332 4.860 4.527 0.003 0.000 0.366 556 F C -1.480 173.717 175.800 -1.005 0.000 1.104 556 F CA -1.954 55.633 58.000 -0.689 0.000 1.179 556 F CB 0.938 39.431 39.000 -0.846 0.000 1.437 556 F HN 0.476 nan 8.300 nan 0.000 0.528 557 P HA -0.153 nan 4.420 nan 0.000 0.218 557 P C 0.161 177.266 177.300 -0.325 0.000 1.149 557 P CA 1.334 63.915 63.100 -0.864 0.000 0.817 557 P CB 0.470 31.814 31.700 -0.594 0.000 0.785 558 D N -1.061 119.211 120.400 -0.215 0.000 2.405 558 D HA 0.394 5.036 4.640 0.002 0.000 0.264 558 D C 0.815 177.121 176.300 0.009 0.000 1.240 558 D CA -0.653 53.322 54.000 -0.042 0.000 0.893 558 D CB 0.536 41.337 40.800 0.001 0.000 1.198 558 D HN -0.147 nan 8.370 nan 0.000 0.514 559 A N 2.318 125.114 122.820 -0.040 0.000 2.066 559 A HA -0.014 4.307 4.320 0.002 0.000 0.218 559 A C 1.544 179.213 177.584 0.141 0.000 1.157 559 A CA 0.738 52.730 52.037 -0.075 0.000 0.670 559 A CB -0.448 18.244 19.000 -0.513 0.000 0.804 559 A HN 0.501 nan 8.150 nan 0.000 0.453 560 F N 0.052 120.130 119.950 0.213 0.000 2.118 560 F HA -0.062 4.466 4.527 0.001 0.000 0.293 560 F C 2.266 178.160 175.800 0.156 0.000 1.102 560 F CA 1.880 60.080 58.000 0.333 0.000 1.247 560 F CB -0.365 38.837 39.000 0.337 0.000 1.017 560 F HN 0.230 nan 8.300 nan 0.000 0.475 561 N N -1.173 117.694 118.700 0.278 0.000 2.207 561 N HA -0.035 4.707 4.740 0.002 0.000 0.182 561 N C -0.111 175.438 175.510 0.065 0.000 1.020 561 N CA 1.016 54.142 53.050 0.128 0.000 0.858 561 N CB 0.075 38.624 38.487 0.103 0.000 0.991 561 N HN -0.055 nan 8.380 nan 0.000 0.427 562 S N 0.906 116.649 115.700 0.072 0.000 2.060 562 S HA 0.218 4.689 4.470 0.002 0.000 0.156 562 S C -2.171 172.483 174.600 0.090 0.000 1.690 562 S CA -0.989 57.240 58.200 0.047 0.000 1.238 562 S CB 1.422 64.629 63.200 0.012 0.000 1.150 562 S HN 0.172 nan 8.310 nan 0.000 0.437 563 P HA -0.067 nan 4.420 nan 0.000 0.226 563 P C 1.259 178.738 177.300 0.299 0.000 1.153 563 P CA 0.822 64.035 63.100 0.187 0.000 0.777 563 P CB -0.012 31.779 31.700 0.152 0.000 0.794 564 S N -2.157 113.665 115.700 0.202 0.000 2.558 564 S HA 0.036 4.507 4.470 0.002 0.000 0.217 564 S C 0.904 175.582 174.600 0.130 0.000 0.975 564 S CA -0.280 58.048 58.200 0.213 0.000 0.912 564 S CB -0.991 62.272 63.200 0.104 0.000 0.776 564 S HN -0.021 nan 8.310 nan 0.000 0.526 565 N N 1.779 120.514 118.700 0.059 0.000 2.420 565 N HA 0.378 5.120 4.740 0.002 0.000 0.249 565 N C -1.054 174.309 175.510 -0.245 0.000 1.033 565 N CA -0.689 52.278 53.050 -0.138 0.000 0.944 565 N CB 0.236 38.654 38.487 -0.115 0.000 1.113 565 N HN 0.545 nan 8.380 nan 0.000 0.502 566 Y N 0.746 120.770 120.300 -0.461 0.000 2.562 566 Y HA 0.697 5.248 4.550 0.001 0.000 0.345 566 Y C -1.242 174.448 175.900 -0.348 0.000 1.045 566 Y CA -1.464 56.207 58.100 -0.714 0.000 1.028 566 Y CB 0.760 38.374 38.460 -1.410 0.000 1.297 566 Y HN 0.077 nan 8.280 nan 0.000 0.463 567 V N 3.623 123.510 119.914 -0.045 0.000 2.495 567 V HA 0.559 4.680 4.120 0.002 0.000 0.298 567 V C -0.684 175.575 176.094 0.275 0.000 1.031 567 V CA -0.956 61.388 62.300 0.072 0.000 0.871 567 V CB 1.532 33.386 31.823 0.051 0.000 0.988 567 V HN 0.971 nan 8.190 nan 0.000 0.432 568 R N 6.264 126.932 120.500 0.279 0.000 2.265 568 R HA 0.502 4.843 4.340 0.002 0.000 0.314 568 R C -0.774 175.618 176.300 0.153 0.000 1.053 568 R CA -0.532 55.701 56.100 0.223 0.000 0.931 568 R CB 0.491 30.927 30.300 0.228 0.000 1.024 568 R HN 0.678 nan 8.270 nan 0.000 0.457 569 R N 4.319 124.915 120.500 0.161 0.000 2.451 569 R HA 0.198 4.539 4.340 0.002 0.000 0.307 569 R C -0.767 175.695 176.300 0.271 0.000 0.965 569 R CA -0.706 55.521 56.100 0.212 0.000 0.865 569 R CB 2.135 32.557 30.300 0.203 0.000 1.174 569 R HN 0.698 nan 8.270 nan 0.000 0.455 570 Q N 2.276 122.221 119.800 0.241 0.000 2.227 570 Q HA 0.443 4.784 4.340 0.002 0.000 0.245 570 Q C 0.802 176.877 176.000 0.125 0.000 0.926 570 Q CA -0.683 55.205 55.803 0.141 0.000 0.895 570 Q CB 1.974 30.774 28.738 0.104 0.000 1.230 570 Q HN 0.568 nan 8.270 nan 0.000 0.450 571 I N -1.613 118.816 120.570 -0.236 0.000 3.138 571 I HA 0.349 4.520 4.170 0.002 0.000 0.288 571 I C -2.240 173.730 176.117 -0.246 0.000 1.148 571 I CA -2.405 58.481 61.300 -0.691 0.000 1.315 571 I CB -0.002 37.305 38.000 -1.155 0.000 1.426 571 I HN 0.311 nan 8.210 nan 0.000 0.615 572 P HA -0.014 nan 4.420 nan 0.000 0.265 572 P C 0.595 177.956 177.300 0.101 0.000 1.187 572 P CA 0.145 63.314 63.100 0.115 0.000 0.766 572 P CB 0.673 32.550 31.700 0.294 0.000 0.820 573 S N 2.450 118.190 115.700 0.068 0.000 2.400 573 S HA -0.258 4.213 4.470 0.002 0.000 0.232 573 S C 1.495 176.085 174.600 -0.017 0.000 1.025 573 S CA 1.521 59.736 58.200 0.024 0.000 0.993 573 S CB -1.010 62.203 63.200 0.021 0.000 0.808 573 S HN 0.697 nan 8.310 nan 0.000 0.478 574 E N -0.022 120.137 120.200 -0.067 0.000 2.347 574 E HA -0.124 4.227 4.350 0.002 0.000 0.196 574 E C 1.009 177.407 176.600 -0.337 0.000 1.008 574 E CA 0.779 57.040 56.400 -0.231 0.000 0.852 574 E CB -0.472 29.022 29.700 -0.344 0.000 0.783 574 E HN 0.747 nan 8.360 nan 0.000 0.505 575 Y N 0.844 121.138 120.300 -0.009 0.000 2.458 575 Y HA 0.252 4.803 4.550 0.002 0.000 0.256 575 Y C 1.516 177.387 175.900 -0.048 0.000 1.159 575 Y CA 0.016 58.117 58.100 0.001 0.000 1.261 575 Y CB 0.539 39.057 38.460 0.096 0.000 1.119 575 Y HN 0.059 nan 8.280 nan 0.000 0.524 576 E N 0.349 120.573 120.200 0.040 0.000 2.122 576 E HA -0.007 4.345 4.350 0.002 0.000 0.190 576 E C -1.770 174.825 176.600 -0.009 0.000 0.977 576 E CA -0.210 56.185 56.400 -0.008 0.000 0.820 576 E CB -0.878 28.808 29.700 -0.024 0.000 0.770 576 E HN 0.228 nan 8.360 nan 0.000 0.462 577 P HA -0.028 nan 4.420 nan 0.000 0.268 577 P C -0.888 176.401 177.300 -0.019 0.000 1.205 577 P CA 0.613 63.702 63.100 -0.018 0.000 0.771 577 P CB 0.347 32.029 31.700 -0.031 0.000 0.858 578 D N -0.960 119.428 120.400 -0.019 0.000 2.772 578 D HA -0.170 4.471 4.640 0.002 0.000 0.233 578 D C -0.179 176.101 176.300 -0.034 0.000 1.143 578 D CA 1.304 55.288 54.000 -0.027 0.000 0.700 578 D CB -1.440 39.337 40.800 -0.039 0.000 1.076 578 D HN 0.510 nan 8.370 nan 0.000 0.430 579 A N -0.180 122.614 122.820 -0.043 0.000 2.498 579 A HA 0.812 5.134 4.320 0.002 0.000 0.298 579 A C 0.053 177.538 177.584 -0.165 0.000 1.075 579 A CA 0.281 52.276 52.037 -0.070 0.000 0.714 579 A CB 2.340 21.324 19.000 -0.026 0.000 1.299 579 A HN 0.467 nan 8.150 nan 0.000 0.407 580 S N 0.213 115.759 115.700 -0.257 0.000 2.688 580 S HA 0.635 5.106 4.470 0.002 0.000 0.275 580 S C -0.739 173.636 174.600 -0.374 0.000 1.175 580 S CA -0.224 57.616 58.200 -0.600 0.000 0.818 580 S CB 0.477 63.117 63.200 -0.933 0.000 1.157 580 S HN 1.085 nan 8.310 nan 0.000 0.482 581 E N 1.016 120.986 120.200 -0.384 0.000 2.202 581 E HA -0.125 4.226 4.350 0.002 0.000 0.169 581 E C -2.398 174.116 176.600 -0.143 0.000 1.536 581 E CA 0.564 56.761 56.400 -0.337 0.000 0.664 581 E CB -1.431 27.921 29.700 -0.579 0.000 1.064 581 E HN 0.530 nan 8.360 nan 0.000 0.327 582 P HA 0.057 nan 4.420 nan 0.000 0.276 582 P C -0.084 177.517 177.300 0.502 0.000 1.230 582 P CA -0.336 62.914 63.100 0.252 0.000 0.776 582 P CB 0.894 32.689 31.700 0.158 0.000 0.888 583 C N 4.903 124.509 119.300 0.510 0.000 2.330 583 C HA 0.605 5.066 4.460 0.002 0.000 0.344 583 C C 0.896 176.240 174.990 0.589 0.000 1.273 583 C CA -0.233 59.110 59.018 0.541 0.000 1.879 583 C CB -1.023 27.073 27.740 0.593 0.000 2.376 583 C HN 0.480 nan 8.230 nan 0.000 0.534 584 I N 1.368 122.205 120.570 0.444 0.000 2.545 584 I HA 0.763 4.935 4.170 0.002 0.000 0.292 584 I C -0.757 175.565 176.117 0.342 0.000 1.040 584 I CA -0.506 61.082 61.300 0.480 0.000 1.068 584 I CB 1.524 39.761 38.000 0.396 0.000 1.251 584 I HN 0.298 nan 8.210 nan 0.000 0.424 585 K N 3.895 124.580 120.400 0.475 0.000 2.512 585 K HA 0.459 4.780 4.320 0.002 0.000 0.263 585 K C -2.015 174.912 176.600 0.544 0.000 0.966 585 K CA -0.848 55.645 56.287 0.344 0.000 0.851 585 K CB 2.821 35.407 32.500 0.143 0.000 1.395 585 K HN 0.709 nan 8.250 nan 0.000 0.440 586 Y N 1.324 121.686 120.300 0.103 0.000 2.326 586 Y HA 0.446 4.997 4.550 0.002 0.000 0.329 586 Y C -1.664 174.191 175.900 -0.076 0.000 0.973 586 Y CA -0.777 57.389 58.100 0.111 0.000 1.162 586 Y CB 0.955 39.443 38.460 0.047 0.000 1.147 586 Y HN 0.482 nan 8.280 nan 0.000 0.456 587 Y N 4.212 124.493 120.300 -0.031 0.000 2.354 587 Y HA 0.261 4.813 4.550 0.003 0.000 0.330 587 Y C -0.290 175.500 175.900 -0.182 0.000 1.011 587 Y CA -1.452 56.637 58.100 -0.018 0.000 1.099 587 Y CB 1.529 40.117 38.460 0.214 0.000 1.179 587 Y HN 0.634 nan 8.280 nan 0.000 0.442 588 D N 2.934 123.289 120.400 -0.076 0.000 2.686 588 D HA -0.191 4.450 4.640 0.002 0.000 0.235 588 D C 1.261 177.456 176.300 -0.174 0.000 1.160 588 D CA 1.980 55.938 54.000 -0.070 0.000 0.645 588 D CB -0.989 39.839 40.800 0.046 0.000 1.039 588 D HN 1.151 nan 8.370 nan 0.000 0.423 589 G N -1.924 106.620 108.800 -0.426 0.000 2.179 589 G HA2 -0.238 3.723 3.960 0.002 0.000 0.260 589 G HA3 -0.238 3.723 3.960 0.002 0.000 0.260 589 G C 0.299 175.063 174.900 -0.227 0.000 0.977 589 G CA 0.550 45.489 45.100 -0.268 0.000 0.641 589 G HN 1.170 nan 8.290 nan 0.000 0.533 590 V N 0.715 120.418 119.914 -0.352 0.000 2.495 590 V HA 0.818 4.939 4.120 0.002 0.000 0.298 590 V C 0.063 176.062 176.094 -0.158 0.000 1.031 590 V CA -0.989 61.162 62.300 -0.249 0.000 0.871 590 V CB 1.706 33.318 31.823 -0.352 0.000 0.988 590 V HN 0.635 nan 8.190 nan 0.000 0.432 591 L N 7.368 128.608 121.223 0.029 0.000 2.265 591 L HA 0.594 4.936 4.340 0.002 0.000 0.288 591 L C -1.293 175.676 176.870 0.165 0.000 1.058 591 L CA -0.318 54.679 54.840 0.262 0.000 0.809 591 L CB 0.842 43.035 42.059 0.223 0.000 1.179 591 L HN 0.753 nan 8.230 nan 0.000 0.429 592 Y N 5.262 125.902 120.300 0.567 0.000 2.387 592 Y HA 0.606 5.157 4.550 0.002 0.000 0.336 592 Y C -0.297 175.993 175.900 0.650 0.000 1.067 592 Y CA -0.537 57.917 58.100 0.591 0.000 1.114 592 Y CB 1.788 40.593 38.460 0.575 0.000 1.208 592 Y HN 0.448 nan 8.280 nan 0.000 0.458 593 L N 4.744 126.350 121.223 0.638 0.000 2.436 593 L HA 0.702 5.043 4.340 0.002 0.000 0.268 593 L C -1.752 175.325 176.870 0.345 0.000 0.974 593 L CA -0.469 54.660 54.840 0.481 0.000 0.826 593 L CB 1.443 43.660 42.059 0.263 0.000 1.291 593 L HN 0.621 nan 8.230 nan 0.000 0.406 594 I N 3.487 124.268 120.570 0.351 0.000 2.466 594 I HA 0.378 4.549 4.170 0.002 0.000 0.289 594 I C 0.152 176.420 176.117 0.252 0.000 1.026 594 I CA -0.553 60.911 61.300 0.272 0.000 1.078 594 I CB 2.313 40.448 38.000 0.225 0.000 1.249 594 I HN 0.612 nan 8.210 nan 0.000 0.429 595 T N 2.599 117.269 114.554 0.193 0.000 2.902 595 T HA 0.445 4.796 4.350 0.002 0.000 0.280 595 T C -0.126 174.615 174.700 0.067 0.000 0.992 595 T CA -0.773 61.391 62.100 0.107 0.000 1.015 595 T CB 1.850 70.764 68.868 0.078 0.000 1.044 595 T HN 0.667 nan 8.240 nan 0.000 0.520 596 R N 0.435 120.934 120.500 -0.003 0.000 2.312 596 R HA 0.562 4.904 4.340 0.002 0.000 0.311 596 R C 0.376 176.644 176.300 -0.052 0.000 1.004 596 R CA -0.623 55.453 56.100 -0.039 0.000 0.902 596 R CB 0.640 30.904 30.300 -0.061 0.000 1.073 596 R HN 0.932 nan 8.270 nan 0.000 0.457 597 G N 0.933 109.698 108.800 -0.058 0.000 2.444 597 G HA2 0.128 4.089 3.960 0.002 0.000 0.268 597 G HA3 0.128 4.089 3.960 0.002 0.000 0.268 597 G C 0.898 175.786 174.900 -0.020 0.000 1.203 597 G CA -0.272 44.800 45.100 -0.046 0.000 0.835 597 G HN 0.807 nan 8.290 nan 0.000 0.543 598 T N -0.834 113.705 114.554 -0.024 0.000 3.035 598 T HA 0.205 4.556 4.350 0.002 0.000 0.259 598 T C 0.996 175.698 174.700 0.002 0.000 1.078 598 T CA 0.291 62.406 62.100 0.025 0.000 1.132 598 T CB 0.184 69.056 68.868 0.006 0.000 0.900 598 T HN 0.451 nan 8.240 nan 0.000 0.480 599 R N -0.638 119.777 120.500 -0.141 0.000 2.584 599 R HA 0.543 4.884 4.340 0.002 0.000 0.276 599 R C 0.940 176.894 176.300 -0.577 0.000 1.046 599 R CA -0.491 55.437 56.100 -0.287 0.000 0.906 599 R CB 1.599 31.805 30.300 -0.158 0.000 1.215 599 R HN 0.133 nan 8.270 nan 0.000 0.449 600 G N 0.732 108.927 108.800 -1.008 0.000 2.598 600 G HA2 -0.190 3.771 3.960 0.002 0.000 0.215 600 G HA3 -0.190 3.771 3.960 0.002 0.000 0.215 600 G C 0.594 175.217 174.900 -0.461 0.000 1.131 600 G CA 0.591 44.993 45.100 -1.164 0.000 0.785 600 G HN 0.727 nan 8.290 nan 0.000 0.539 601 D N -0.698 119.516 120.400 -0.309 0.000 2.340 601 D HA 0.110 4.751 4.640 0.002 0.000 0.217 601 D C 0.927 177.147 176.300 -0.133 0.000 1.081 601 D CA -0.221 53.675 54.000 -0.173 0.000 0.842 601 D CB 0.323 41.049 40.800 -0.124 0.000 0.934 601 D HN 0.184 nan 8.370 nan 0.000 0.511 602 R N -0.196 120.212 120.500 -0.154 0.000 2.837 602 R HA 0.512 4.853 4.340 0.002 0.000 0.271 602 R C -0.286 175.953 176.300 -0.101 0.000 0.993 602 R CA -1.013 55.023 56.100 -0.108 0.000 0.931 602 R CB 2.020 32.265 30.300 -0.092 0.000 1.206 602 R HN -0.059 nan 8.270 nan 0.000 0.474 603 L N 1.529 122.709 121.223 -0.072 0.000 2.578 603 L HA 0.030 4.371 4.340 0.002 0.000 0.279 603 L C 1.072 177.921 176.870 -0.035 0.000 1.227 603 L CA 0.399 55.210 54.840 -0.050 0.000 0.900 603 L CB 0.010 42.042 42.059 -0.045 0.000 1.144 603 L HN 0.857 nan 8.230 nan 0.000 0.496 604 G N 1.693 110.483 108.800 -0.017 0.000 3.194 604 G HA2 0.233 4.194 3.960 0.002 0.000 0.160 604 G HA3 0.233 4.194 3.960 0.002 0.000 0.160 604 G C -0.388 174.545 174.900 0.054 0.000 1.267 604 G CA -0.449 44.642 45.100 -0.014 0.000 0.962 604 G HN 0.537 nan 8.290 nan 0.000 0.612 605 S N 0.305 116.034 115.700 0.049 0.000 2.593 605 S HA 0.349 4.820 4.470 0.002 0.000 0.300 605 S C 0.424 175.227 174.600 0.339 0.000 1.267 605 S CA 0.408 58.701 58.200 0.154 0.000 1.065 605 S CB 0.189 63.413 63.200 0.040 0.000 0.807 605 S HN 0.953 nan 8.310 nan 0.000 0.499 606 S N 2.502 118.346 115.700 0.242 0.000 2.599 606 S HA 0.768 5.240 4.470 0.002 0.000 0.287 606 S C -1.028 173.462 174.600 -0.184 0.000 1.105 606 S CA -1.062 57.115 58.200 -0.037 0.000 0.899 606 S CB 1.477 64.626 63.200 -0.085 0.000 1.100 606 S HN 0.504 nan 8.310 nan 0.000 0.482 607 L N 1.485 122.320 121.223 -0.647 0.000 2.346 607 L HA 0.770 5.111 4.340 0.002 0.000 0.276 607 L C -1.535 174.940 176.870 -0.658 0.000 1.006 607 L CA -0.053 54.489 54.840 -0.497 0.000 0.817 607 L CB 1.216 42.900 42.059 -0.625 0.000 1.272 607 L HN 0.954 nan 8.230 nan 0.000 0.421 608 H N 2.899 122.027 119.070 0.096 0.000 2.851 608 H HA 0.797 5.354 4.556 0.002 0.000 0.372 608 H C -0.965 174.699 175.328 0.560 0.000 1.158 608 H CA -0.812 55.384 56.048 0.247 0.000 1.159 608 H CB 1.583 31.188 29.762 -0.263 0.000 1.757 608 H HN 0.646 nan 8.280 nan 0.000 0.546 609 R N 0.552 121.429 120.500 0.630 0.000 2.744 609 R HA 0.831 5.172 4.340 0.002 0.000 0.279 609 R C -1.378 174.974 176.300 0.087 0.000 0.977 609 R CA -0.979 55.256 56.100 0.225 0.000 0.906 609 R CB 2.223 32.379 30.300 -0.240 0.000 1.197 609 R HN 0.492 nan 8.270 nan 0.000 0.463 610 S N 0.600 116.176 115.700 -0.206 0.000 2.548 610 S HA 0.398 4.869 4.470 0.002 0.000 0.276 610 S C -0.230 174.180 174.600 -0.316 0.000 1.129 610 S CA -0.878 57.055 58.200 -0.445 0.000 0.931 610 S CB 1.717 64.276 63.200 -1.069 0.000 1.068 610 S HN 0.795 nan 8.310 nan 0.000 0.480 611 R N 1.422 121.762 120.500 -0.265 0.000 2.393 611 R HA 0.180 4.522 4.340 0.002 0.000 0.244 611 R C -0.544 175.663 176.300 -0.155 0.000 0.920 611 R CA 0.349 56.347 56.100 -0.170 0.000 1.076 611 R CB 0.124 30.339 30.300 -0.142 0.000 1.119 611 R HN 0.675 nan 8.270 nan 0.000 0.524 612 D N -0.588 119.669 120.400 -0.238 0.000 2.819 612 D HA 0.095 4.736 4.640 0.002 0.000 0.326 612 D C 0.072 176.190 176.300 -0.304 0.000 1.408 612 D CA -0.558 53.309 54.000 -0.223 0.000 0.811 612 D CB -0.420 40.267 40.800 -0.188 0.000 1.148 612 D HN 0.062 nan 8.370 nan 0.000 0.457 613 I N 0.535 120.892 120.570 -0.356 0.000 6.833 613 I HA -0.250 3.921 4.170 0.002 0.000 0.126 613 I C 1.265 177.135 176.117 -0.412 0.000 1.810 613 I CA 0.669 61.704 61.300 -0.442 0.000 2.119 613 I CB -1.585 35.998 38.000 -0.694 0.000 3.512 613 I HN 0.520 nan 8.210 nan 0.000 0.194 614 G N 0.780 109.178 108.800 -0.670 0.000 2.159 614 G HA2 -0.308 3.654 3.960 0.002 0.000 0.256 614 G HA3 -0.308 3.654 3.960 0.002 0.000 0.256 614 G C 0.566 175.187 174.900 -0.465 0.000 0.977 614 G CA 0.584 45.212 45.100 -0.787 0.000 0.652 614 G HN 0.619 nan 8.290 nan 0.000 0.531 615 Q N -0.304 119.258 119.800 -0.396 0.000 2.096 615 Q HA 0.132 4.473 4.340 0.002 0.000 0.197 615 Q C 1.531 177.406 176.000 -0.208 0.000 0.964 615 Q CA 1.554 57.238 55.803 -0.199 0.000 0.838 615 Q CB 0.139 28.792 28.738 -0.142 0.000 0.906 615 Q HN 0.811 nan 8.270 nan 0.000 0.444 616 T N -2.907 111.424 114.554 -0.371 0.000 2.906 616 T HA 0.563 4.915 4.350 0.002 0.000 0.295 616 T C -1.484 172.967 174.700 -0.415 0.000 1.061 616 T CA -0.860 61.097 62.100 -0.239 0.000 1.000 616 T CB 1.353 70.147 68.868 -0.124 0.000 1.103 616 T HN 0.187 nan 8.240 nan 0.000 0.486 617 W N 0.089 121.390 121.300 0.002 0.000 3.032 617 W HA 0.600 5.261 4.660 0.001 0.000 0.335 617 W C -0.365 176.159 176.519 0.009 0.000 1.154 617 W CA -0.772 56.581 57.345 0.014 0.000 1.204 617 W CB 1.894 31.392 29.460 0.064 0.000 1.416 617 W HN 0.717 nan 8.180 nan 0.000 0.521 618 E N 1.284 121.629 120.200 0.242 0.000 2.179 618 E HA 0.666 5.017 4.350 0.002 0.000 0.275 618 E C -0.770 176.014 176.600 0.306 0.000 0.945 618 E CA -0.557 55.913 56.400 0.115 0.000 0.792 618 E CB 1.968 31.523 29.700 -0.243 0.000 1.125 618 E HN 0.228 nan 8.360 nan 0.000 0.397 619 S N 1.622 117.512 115.700 0.316 0.000 2.599 619 S HA 0.708 5.179 4.470 0.002 0.000 0.287 619 S C -1.266 173.353 174.600 0.031 0.000 1.105 619 S CA -0.848 57.379 58.200 0.046 0.000 0.899 619 S CB 1.174 64.168 63.200 -0.342 0.000 1.100 619 S HN 0.434 nan 8.310 nan 0.000 0.482 620 L N -0.682 120.271 121.223 -0.449 0.000 2.540 620 L HA 0.900 5.241 4.340 0.002 0.000 0.256 620 L C -1.039 175.508 176.870 -0.537 0.000 1.001 620 L CA -0.969 53.588 54.840 -0.471 0.000 0.843 620 L CB 1.554 43.151 42.059 -0.769 0.000 1.436 620 L HN 0.541 nan 8.230 nan 0.000 0.410 621 R N 0.768 121.076 120.500 -0.319 0.000 2.445 621 R HA 0.709 5.051 4.340 0.002 0.000 0.308 621 R C -1.447 174.661 176.300 -0.320 0.000 0.961 621 R CA -0.412 55.561 56.100 -0.211 0.000 0.862 621 R CB 0.840 31.147 30.300 0.010 0.000 1.144 621 R HN 0.572 nan 8.270 nan 0.000 0.447 622 F N 5.698 125.584 119.950 -0.106 0.000 2.484 622 F HA 0.279 4.807 4.527 0.002 0.000 0.360 622 F C -1.390 174.370 175.800 -0.067 0.000 1.101 622 F CA -1.551 56.412 58.000 -0.062 0.000 1.251 622 F CB 0.348 39.377 39.000 0.049 0.000 1.132 622 F HN 0.470 nan 8.300 nan 0.000 0.570 623 P HA 0.005 nan 4.420 nan 0.000 0.268 623 P C -0.586 176.670 177.300 -0.073 0.000 1.208 623 P CA 0.347 63.346 63.100 -0.168 0.000 0.777 623 P CB 0.220 31.750 31.700 -0.284 0.000 0.875 624 H N 0.403 119.493 119.070 0.034 0.000 2.886 624 H HA -0.148 4.409 4.556 0.002 0.000 0.294 624 H C -0.145 175.147 175.328 -0.060 0.000 1.246 624 H CA 0.585 56.629 56.048 -0.007 0.000 1.142 624 H CB -2.570 27.201 29.762 0.015 0.000 1.358 624 H HN 0.576 nan 8.280 nan 0.000 0.406 625 N N -2.123 116.583 118.700 0.009 0.000 2.714 625 N HA -0.153 4.588 4.740 0.002 0.000 0.253 625 N C -0.053 175.410 175.510 -0.079 0.000 1.024 625 N CA 0.938 53.957 53.050 -0.051 0.000 0.726 625 N CB -1.395 37.032 38.487 -0.099 0.000 0.908 625 N HN 0.313 nan 8.380 nan 0.000 0.542 626 V N 2.233 122.040 119.914 -0.178 0.000 2.557 626 V HA 0.050 4.171 4.120 0.002 0.000 0.301 626 V C 1.005 176.883 176.094 -0.359 0.000 1.026 626 V CA 0.353 62.355 62.300 -0.497 0.000 1.137 626 V CB 0.271 31.740 31.823 -0.589 0.000 0.917 626 V HN 0.577 nan 8.190 nan 0.000 0.484 627 H N 2.756 121.444 119.070 -0.637 0.000 3.008 627 H HA 0.441 4.998 4.556 0.002 0.000 0.354 627 H C 0.341 175.449 175.328 -0.366 0.000 1.252 627 H CA -0.448 55.320 56.048 -0.468 0.000 1.117 627 H CB 1.033 30.477 29.762 -0.530 0.000 1.857 627 H HN 0.745 nan 8.280 nan 0.000 0.547 628 H N -1.594 117.394 119.070 -0.136 0.000 4.158 628 H HA -0.175 4.382 4.556 0.002 0.000 0.150 628 H C -0.166 175.108 175.328 -0.089 0.000 0.823 628 H CA 1.434 57.419 56.048 -0.105 0.000 1.252 628 H CB -0.731 28.962 29.762 -0.116 0.000 0.889 628 H HN 0.794 nan 8.280 nan 0.000 0.437 629 T N 1.104 115.630 114.554 -0.045 0.000 2.856 629 T HA 0.421 4.772 4.350 0.002 0.000 0.283 629 T C 0.357 175.075 174.700 0.030 0.000 1.008 629 T CA 0.003 62.114 62.100 0.018 0.000 0.997 629 T CB 1.328 70.202 68.868 0.011 0.000 0.992 629 T HN 0.336 nan 8.240 nan 0.000 0.454 630 T N 2.501 117.137 114.554 0.136 0.000 2.868 630 T HA 0.535 4.886 4.350 0.002 0.000 0.292 630 T C 0.263 175.095 174.700 0.220 0.000 1.028 630 T CA -0.764 61.445 62.100 0.182 0.000 1.059 630 T CB 0.393 69.435 68.868 0.290 0.000 0.991 630 T HN 0.492 nan 8.240 nan 0.000 0.531 631 L N 2.237 123.615 121.223 0.258 0.000 2.679 631 L HA 0.331 4.672 4.340 0.002 0.000 0.238 631 L C -2.238 174.910 176.870 0.464 0.000 1.330 631 L CA -2.153 52.859 54.840 0.288 0.000 0.935 631 L CB 0.930 43.085 42.059 0.160 0.000 1.243 631 L HN 0.504 nan 8.230 nan 0.000 0.484 632 P HA 0.117 nan 4.420 nan 0.000 0.267 632 P C -0.820 176.814 177.300 0.557 0.000 1.200 632 P CA 0.356 63.748 63.100 0.487 0.000 0.772 632 P CB 0.684 32.644 31.700 0.433 0.000 0.855 633 F N -0.974 119.180 119.950 0.340 0.000 2.713 633 F HA 0.820 5.349 4.527 0.003 0.000 0.311 633 F C -1.833 174.159 175.800 0.321 0.000 1.141 633 F CA -1.363 56.824 58.000 0.311 0.000 0.939 633 F CB 0.823 39.961 39.000 0.229 0.000 1.325 633 F HN 0.512 nan 8.300 nan 0.000 0.453 634 A N 1.421 124.476 122.820 0.391 0.000 2.532 634 A HA 0.757 5.079 4.320 0.002 0.000 0.290 634 A C -1.732 175.939 177.584 0.144 0.000 1.143 634 A CA -1.107 51.101 52.037 0.285 0.000 0.728 634 A CB 2.016 21.186 19.000 0.283 0.000 1.317 634 A HN 0.915 nan 8.150 nan 0.000 0.414 635 K N 0.900 121.104 120.400 -0.326 0.000 2.265 635 K HA 0.613 4.934 4.320 0.002 0.000 0.267 635 K C -1.738 174.664 176.600 -0.330 0.000 0.994 635 K CA -0.298 55.662 56.287 -0.545 0.000 0.860 635 K CB 1.228 33.031 32.500 -1.161 0.000 1.099 635 K HN 0.405 nan 8.250 nan 0.000 0.448 636 V N 4.829 124.655 119.914 -0.146 0.000 2.380 636 V HA 0.428 4.549 4.120 0.002 0.000 0.286 636 V C 0.750 176.807 176.094 -0.062 0.000 1.015 636 V CA 0.044 62.307 62.300 -0.062 0.000 0.834 636 V CB 0.461 32.281 31.823 -0.005 0.000 1.009 636 V HN 1.174 nan 8.190 nan 0.000 0.428 637 G N 4.902 113.672 108.800 -0.050 0.000 2.583 637 G HA2 -0.278 3.683 3.960 0.002 0.000 0.292 637 G HA3 -0.278 3.683 3.960 0.002 0.000 0.292 637 G C 0.445 175.316 174.900 -0.049 0.000 1.203 637 G CA 0.649 45.727 45.100 -0.036 0.000 0.987 637 G HN 0.597 nan 8.290 nan 0.000 0.554 638 D N 1.924 122.301 120.400 -0.037 0.000 2.355 638 D HA 0.183 4.825 4.640 0.002 0.000 0.218 638 D C 0.202 176.472 176.300 -0.050 0.000 1.004 638 D CA 0.741 54.724 54.000 -0.029 0.000 0.880 638 D CB 0.011 40.803 40.800 -0.014 0.000 0.911 638 D HN 0.330 nan 8.370 nan 0.000 0.528 639 D N 0.233 120.589 120.400 -0.073 0.000 2.168 639 D HA 0.275 4.916 4.640 0.002 0.000 0.246 639 D C 0.318 176.547 176.300 -0.118 0.000 1.050 639 D CA -0.425 53.522 54.000 -0.088 0.000 0.857 639 D CB 1.925 42.681 40.800 -0.073 0.000 1.169 639 D HN -0.061 nan 8.370 nan 0.000 0.453 640 L N 2.374 123.515 121.223 -0.137 0.000 2.331 640 L HA 0.398 4.739 4.340 0.002 0.000 0.278 640 L C 0.155 176.998 176.870 -0.044 0.000 1.106 640 L CA -0.395 54.380 54.840 -0.109 0.000 0.824 640 L CB 0.592 42.526 42.059 -0.208 0.000 1.142 640 L HN 0.194 nan 8.230 nan 0.000 0.443 641 I N 5.237 125.848 120.570 0.069 0.000 2.382 641 I HA 0.344 4.515 4.170 0.002 0.000 0.285 641 I C 0.043 176.261 176.117 0.168 0.000 1.007 641 I CA -0.292 61.051 61.300 0.072 0.000 1.142 641 I CB 1.325 39.397 38.000 0.120 0.000 1.289 641 I HN 0.618 nan 8.210 nan 0.000 0.453 642 M N 4.343 123.952 119.600 0.015 0.000 2.602 642 M HA 0.675 5.156 4.480 0.002 0.000 0.312 642 M C -1.845 174.402 176.300 -0.089 0.000 1.181 642 M CA -0.446 54.939 55.300 0.142 0.000 0.910 642 M CB 2.483 35.164 32.600 0.135 0.000 1.723 642 M HN 0.218 nan 8.290 nan 0.000 0.459 643 F N 0.069 120.024 119.950 0.009 0.000 2.551 643 F HA 0.875 5.404 4.527 0.002 0.000 0.316 643 F C 0.341 176.014 175.800 -0.211 0.000 1.089 643 F CA -0.425 57.382 58.000 -0.323 0.000 0.915 643 F CB 2.704 40.958 39.000 -1.243 0.000 1.186 643 F HN 0.871 nan 8.300 nan 0.000 0.456 644 G N 0.310 109.151 108.800 0.069 0.000 2.690 644 G HA2 0.615 4.576 3.960 0.002 0.000 0.293 644 G HA3 0.615 4.576 3.960 0.002 0.000 0.293 644 G C -1.881 173.193 174.900 0.289 0.000 1.399 644 G CA -0.876 44.368 45.100 0.241 0.000 0.890 644 G HN 0.535 nan 8.290 nan 0.000 0.485 645 S N 0.130 116.067 115.700 0.396 0.000 2.614 645 S HA 0.417 4.888 4.470 0.002 0.000 0.288 645 S C -0.236 174.599 174.600 0.390 0.000 1.137 645 S CA -0.884 57.517 58.200 0.334 0.000 0.992 645 S CB 1.697 65.068 63.200 0.285 0.000 1.026 645 S HN 0.905 nan 8.310 nan 0.000 0.486 646 E N 2.644 123.105 120.200 0.435 0.000 2.404 646 E HA 0.218 4.569 4.350 0.002 0.000 0.261 646 E C 0.269 176.963 176.600 0.158 0.000 1.074 646 E CA -0.645 55.942 56.400 0.312 0.000 0.917 646 E CB 0.593 30.503 29.700 0.351 0.000 0.965 646 E HN 0.330 nan 8.360 nan 0.000 0.433 647 R N 0.991 121.536 120.500 0.075 0.000 2.210 647 R HA 0.224 4.565 4.340 0.002 0.000 0.203 647 R C 0.231 176.447 176.300 -0.140 0.000 1.010 647 R CA 0.834 56.930 56.100 -0.007 0.000 1.008 647 R CB -0.130 30.135 30.300 -0.058 0.000 0.923 647 R HN 0.621 nan 8.270 nan 0.000 0.469 648 A N 0.503 123.226 122.820 -0.161 0.000 2.594 648 A HA 0.367 4.688 4.320 0.002 0.000 0.291 648 A C -1.123 176.444 177.584 -0.029 0.000 1.105 648 A CA -0.710 51.182 52.037 -0.242 0.000 0.694 648 A CB 1.353 19.969 19.000 -0.640 0.000 1.291 648 A HN 0.093 nan 8.150 nan 0.000 0.410 649 E N 0.910 121.132 120.200 0.036 0.000 2.414 649 E HA 0.154 4.505 4.350 0.002 0.000 0.263 649 E C -0.252 176.411 176.600 0.105 0.000 1.000 649 E CA 0.508 56.970 56.400 0.103 0.000 0.914 649 E CB 0.056 29.843 29.700 0.146 0.000 0.948 649 E HN 0.548 nan 8.360 nan 0.000 0.444 650 N N 3.172 121.957 118.700 0.141 0.000 2.776 650 N HA -0.185 4.556 4.740 0.002 0.000 0.250 650 N C -0.351 175.242 175.510 0.139 0.000 1.112 650 N CA 1.287 54.425 53.050 0.146 0.000 0.733 650 N CB -1.025 37.533 38.487 0.119 0.000 1.097 650 N HN 0.659 nan 8.380 nan 0.000 0.558 651 E N -1.414 118.874 120.200 0.147 0.000 2.452 651 E HA 0.031 4.382 4.350 0.002 0.000 0.197 651 E C 1.396 178.035 176.600 0.065 0.000 1.022 651 E CA -0.320 56.158 56.400 0.130 0.000 0.890 651 E CB 0.178 29.949 29.700 0.119 0.000 0.918 651 E HN 0.441 nan 8.360 nan 0.000 0.496 652 W N 2.598 123.835 121.300 -0.104 0.000 2.358 652 W HA -0.115 4.546 4.660 0.002 0.000 0.303 652 W C 0.131 176.536 176.519 -0.192 0.000 1.208 652 W CA 1.158 58.349 57.345 -0.256 0.000 1.274 652 W CB 0.161 29.495 29.460 -0.210 0.000 1.138 652 W HN -0.060 nan 8.180 nan 0.000 0.515 653 E N 0.333 120.619 120.200 0.144 0.000 2.404 653 E HA 0.249 4.600 4.350 0.002 0.000 0.261 653 E C 0.233 176.871 176.600 0.062 0.000 1.074 653 E CA 0.104 56.547 56.400 0.071 0.000 0.917 653 E CB 0.546 30.275 29.700 0.048 0.000 0.965 653 E HN 0.079 nan 8.360 nan 0.000 0.433 654 A N 1.775 124.599 122.820 0.007 0.000 2.540 654 A HA 0.392 4.714 4.320 0.002 0.000 0.239 654 A C 1.396 178.950 177.584 -0.049 0.000 1.061 654 A CA 0.590 52.611 52.037 -0.027 0.000 0.758 654 A CB -0.724 18.292 19.000 0.026 0.000 0.991 654 A HN 0.892 nan 8.150 nan 0.000 0.502 655 G N 0.819 109.553 108.800 -0.110 0.000 2.205 655 G HA2 0.102 4.063 3.960 0.002 0.000 0.261 655 G HA3 0.102 4.063 3.960 0.002 0.000 0.261 655 G C 0.624 175.492 174.900 -0.054 0.000 0.980 655 G CA 0.546 45.595 45.100 -0.086 0.000 0.632 655 G HN 2.269 nan 8.290 nan 0.000 0.533 656 A N 1.720 124.529 122.820 -0.019 0.000 2.454 656 A HA 0.632 4.954 4.320 0.002 0.000 0.260 656 A C -0.896 176.712 177.584 0.040 0.000 1.106 656 A CA -0.337 51.722 52.037 0.036 0.000 0.780 656 A CB 0.325 19.380 19.000 0.093 0.000 1.044 656 A HN 0.328 nan 8.150 nan 0.000 0.498 657 P HA 0.222 nan 4.420 nan 0.000 0.276 657 P C -0.849 176.507 177.300 0.095 0.000 1.244 657 P CA -0.481 62.651 63.100 0.054 0.000 0.801 657 P CB 0.583 32.310 31.700 0.044 0.000 1.006 658 D N 0.776 121.245 120.400 0.116 0.000 2.472 658 D HA 0.080 4.721 4.640 0.002 0.000 0.237 658 D C -0.005 176.333 176.300 0.063 0.000 1.141 658 D CA 1.067 55.132 54.000 0.109 0.000 0.875 658 D CB 0.006 40.866 40.800 0.100 0.000 1.192 658 D HN 0.272 nan 8.370 nan 0.000 0.450 659 D N 1.972 122.384 120.400 0.020 0.000 2.378 659 D HA 0.156 4.797 4.640 0.002 0.000 0.265 659 D C -0.549 175.739 176.300 -0.019 0.000 1.229 659 D CA -0.595 53.425 54.000 0.032 0.000 0.914 659 D CB 0.245 41.074 40.800 0.048 0.000 1.140 659 D HN 0.088 nan 8.370 nan 0.000 0.516 660 R N 1.404 121.924 120.500 0.034 0.000 2.943 660 R HA 0.382 4.723 4.340 0.002 0.000 0.246 660 R C 0.037 176.495 176.300 0.263 0.000 1.201 660 R CA -0.724 55.396 56.100 0.034 0.000 1.056 660 R CB 0.212 30.414 30.300 -0.163 0.000 1.243 660 R HN 0.364 nan 8.270 nan 0.000 0.498 661 Y N -1.449 119.048 120.300 0.330 0.000 4.729 661 Y HA -0.319 4.232 4.550 0.002 0.000 0.239 661 Y C -0.009 175.979 175.900 0.147 0.000 1.043 661 Y CA 1.378 59.592 58.100 0.190 0.000 2.045 661 Y CB -1.796 36.734 38.460 0.117 0.000 1.599 661 Y HN 0.624 nan 8.280 nan 0.000 0.655 662 K N -0.804 119.781 120.400 0.309 0.000 2.527 662 K HA 0.902 5.223 4.320 0.002 0.000 0.260 662 K C -0.570 176.142 176.600 0.186 0.000 0.937 662 K CA -0.579 55.827 56.287 0.197 0.000 0.826 662 K CB 2.005 34.609 32.500 0.173 0.000 1.359 662 K HN 0.156 nan 8.250 nan 0.000 0.434 663 A N 1.597 124.463 122.820 0.077 0.000 2.477 663 A HA 0.479 4.800 4.320 0.002 0.000 0.246 663 A C -0.016 177.639 177.584 0.118 0.000 1.078 663 A CA 0.463 52.524 52.037 0.040 0.000 0.770 663 A CB -0.268 18.755 19.000 0.038 0.000 1.011 663 A HN 0.970 nan 8.150 nan 0.000 0.494 664 S N 0.844 116.603 115.700 0.098 0.000 2.752 664 S HA 0.666 5.137 4.470 0.002 0.000 0.284 664 S C -1.242 173.296 174.600 -0.105 0.000 1.189 664 S CA -0.610 57.656 58.200 0.109 0.000 0.835 664 S CB 0.679 63.996 63.200 0.194 0.000 1.192 664 S HN 0.553 nan 8.310 nan 0.000 0.506 665 Y N 1.778 122.132 120.300 0.091 0.000 2.837 665 Y HA 0.443 4.994 4.550 0.002 0.000 0.356 665 Y C -2.504 173.414 175.900 0.030 0.000 1.035 665 Y CA -2.019 56.106 58.100 0.041 0.000 1.165 665 Y CB 1.165 39.640 38.460 0.026 0.000 1.147 665 Y HN 0.426 nan 8.280 nan 0.000 0.628 666 P HA 0.055 nan 4.420 nan 0.000 0.268 666 P C -0.399 176.918 177.300 0.028 0.000 1.205 666 P CA -0.002 63.147 63.100 0.082 0.000 0.771 666 P CB 0.948 32.689 31.700 0.068 0.000 0.858 667 R N 1.208 121.682 120.500 -0.043 0.000 2.357 667 R HA 0.444 4.785 4.340 0.002 0.000 0.296 667 R C 0.305 176.334 176.300 -0.451 0.000 1.052 667 R CA -0.178 55.729 56.100 -0.321 0.000 0.988 667 R CB 0.444 30.417 30.300 -0.546 0.000 1.025 667 R HN 0.393 nan 8.270 nan 0.000 0.469 668 T N 3.542 117.785 114.554 -0.517 0.000 2.797 668 T HA 0.497 4.848 4.350 0.002 0.000 0.279 668 T C -0.809 173.489 174.700 -0.670 0.000 0.991 668 T CA -0.356 61.501 62.100 -0.405 0.000 0.979 668 T CB 0.481 69.249 68.868 -0.166 0.000 0.943 668 T HN 0.238 nan 8.240 nan 0.000 0.444 669 F N 2.097 121.840 119.950 -0.346 0.000 2.579 669 F HA 0.677 5.205 4.527 0.002 0.000 0.324 669 F C -0.213 175.506 175.800 -0.136 0.000 1.058 669 F CA -1.255 56.556 58.000 -0.315 0.000 0.944 669 F CB 1.420 40.072 39.000 -0.578 0.000 1.245 669 F HN 0.621 nan 8.300 nan 0.000 0.477 670 Y N 0.300 120.533 120.300 -0.111 0.000 2.576 670 Y HA 0.941 5.493 4.550 0.002 0.000 0.346 670 Y C -1.363 174.380 175.900 -0.261 0.000 1.018 670 Y CA -1.509 56.339 58.100 -0.420 0.000 1.050 670 Y CB 1.651 39.491 38.460 -1.034 0.000 1.280 670 Y HN 0.811 nan 8.280 nan 0.000 0.474 671 A N 2.821 125.256 122.820 -0.642 0.000 2.572 671 A HA 0.795 5.116 4.320 0.002 0.000 0.295 671 A C -1.473 175.774 177.584 -0.562 0.000 1.072 671 A CA -1.278 50.225 52.037 -0.891 0.000 0.691 671 A CB 1.737 19.897 19.000 -1.400 0.000 1.291 671 A HN 0.866 nan 8.150 nan 0.000 0.404 672 R N -0.117 120.086 120.500 -0.494 0.000 2.604 672 R HA 0.738 5.079 4.340 0.002 0.000 0.287 672 R C -1.361 174.761 176.300 -0.297 0.000 0.970 672 R CA -0.556 55.371 56.100 -0.288 0.000 0.946 672 R CB 1.932 32.113 30.300 -0.199 0.000 1.127 672 R HN 0.617 nan 8.270 nan 0.000 0.473 673 L N 2.210 123.302 121.223 -0.218 0.000 2.441 673 L HA 0.342 4.683 4.340 0.002 0.000 0.270 673 L C -1.059 175.727 176.870 -0.140 0.000 0.973 673 L CA -0.683 54.034 54.840 -0.205 0.000 0.842 673 L CB 1.799 43.721 42.059 -0.228 0.000 1.239 673 L HN 0.577 nan 8.230 nan 0.000 0.406 674 N N 3.533 122.168 118.700 -0.109 0.000 2.442 674 N HA 0.037 4.779 4.740 0.002 0.000 0.265 674 N C 1.007 176.536 175.510 0.031 0.000 1.138 674 N CA 0.157 53.180 53.050 -0.046 0.000 0.956 674 N CB 1.812 40.273 38.487 -0.043 0.000 1.067 674 N HN 0.642 nan 8.380 nan 0.000 0.474 675 V N 1.835 121.802 119.914 0.089 0.000 2.809 675 V HA -0.081 4.040 4.120 0.002 0.000 0.256 675 V C 1.446 177.692 176.094 0.253 0.000 1.080 675 V CA 1.360 63.824 62.300 0.274 0.000 1.102 675 V CB -0.682 31.307 31.823 0.276 0.000 0.705 675 V HN 0.571 nan 8.190 nan 0.000 0.475 676 N N 1.516 120.293 118.700 0.129 0.000 2.171 676 N HA -0.099 4.642 4.740 0.002 0.000 0.184 676 N C 1.580 177.155 175.510 0.109 0.000 1.021 676 N CA 1.456 54.560 53.050 0.090 0.000 0.854 676 N CB -0.264 38.250 38.487 0.044 0.000 0.994 676 N HN 0.498 nan 8.380 nan 0.000 0.426 677 N N 0.209 118.968 118.700 0.100 0.000 2.354 677 N HA -0.142 4.599 4.740 0.002 0.000 0.179 677 N C -0.084 175.518 175.510 0.153 0.000 1.021 677 N CA 0.272 53.370 53.050 0.080 0.000 0.887 677 N CB -0.239 38.256 38.487 0.013 0.000 0.974 677 N HN 0.354 nan 8.380 nan 0.000 0.437 678 W N 2.134 123.395 121.300 -0.066 0.000 6.905 678 W HA -0.260 4.401 4.660 0.002 0.000 0.419 678 W C -0.807 175.646 176.519 -0.110 0.000 1.653 678 W CA 0.364 57.659 57.345 -0.083 0.000 1.131 678 W CB -1.246 28.181 29.460 -0.055 0.000 2.876 678 W HN 0.037 nan 8.180 nan 0.000 1.563 679 N N 1.227 119.782 118.700 -0.242 0.000 2.542 679 N HA 0.434 5.175 4.740 0.002 0.000 0.288 679 N C 0.042 175.375 175.510 -0.295 0.000 1.115 679 N CA 0.438 53.336 53.050 -0.252 0.000 0.924 679 N CB 1.378 39.797 38.487 -0.113 0.000 1.526 679 N HN 0.050 nan 8.380 nan 0.000 0.515 680 A N 2.382 124.979 122.820 -0.371 0.000 2.308 680 A HA 0.147 4.468 4.320 0.002 0.000 0.217 680 A C 1.007 178.480 177.584 -0.186 0.000 1.216 680 A CA 0.143 51.988 52.037 -0.320 0.000 0.864 680 A CB 0.085 18.791 19.000 -0.491 0.000 0.902 680 A HN 0.610 nan 8.150 nan 0.000 0.499 681 D N 1.602 121.904 120.400 -0.162 0.000 2.158 681 D HA -0.166 4.475 4.640 0.002 0.000 0.197 681 D C 0.794 177.057 176.300 -0.061 0.000 0.995 681 D CA 1.765 55.702 54.000 -0.104 0.000 0.846 681 D CB -0.109 40.637 40.800 -0.089 0.000 0.941 681 D HN 0.703 nan 8.370 nan 0.000 0.456 682 D N -0.170 120.184 120.400 -0.076 0.000 2.427 682 D HA 0.013 4.654 4.640 0.002 0.000 0.224 682 D C 0.737 176.977 176.300 -0.100 0.000 1.157 682 D CA -0.525 53.444 54.000 -0.053 0.000 0.828 682 D CB -0.771 39.998 40.800 -0.051 0.000 0.974 682 D HN 0.210 nan 8.370 nan 0.000 0.498 683 I N 0.866 121.351 120.570 -0.141 0.000 2.775 683 I HA -0.065 4.107 4.170 0.002 0.000 0.290 683 I C -0.162 175.770 176.117 -0.307 0.000 1.203 683 I CA 0.384 61.510 61.300 -0.290 0.000 1.433 683 I CB 0.474 38.257 38.000 -0.362 0.000 1.354 683 I HN -0.048 nan 8.210 nan 0.000 0.579 684 E N 7.125 127.032 120.200 -0.488 0.000 2.101 684 E HA 0.153 4.504 4.350 0.002 0.000 0.260 684 E C -1.652 174.606 176.600 -0.571 0.000 0.897 684 E CA -0.421 55.655 56.400 -0.540 0.000 0.744 684 E CB 0.657 29.783 29.700 -0.957 0.000 1.140 684 E HN 0.488 nan 8.360 nan 0.000 0.419 685 W N 2.747 123.919 121.300 -0.213 0.000 2.356 685 W HA 0.213 4.874 4.660 0.002 0.000 0.311 685 W C -0.214 176.207 176.519 -0.163 0.000 1.328 685 W CA -0.558 56.606 57.345 -0.302 0.000 1.251 685 W CB 0.754 29.904 29.460 -0.517 0.000 1.280 685 W HN 0.188 nan 8.180 nan 0.000 0.524 686 V N 4.617 124.507 119.914 -0.040 0.000 2.328 686 V HA 0.075 4.196 4.120 0.002 0.000 0.278 686 V C 0.067 176.159 176.094 -0.003 0.000 1.021 686 V CA -1.128 61.142 62.300 -0.050 0.000 0.838 686 V CB 0.926 32.616 31.823 -0.221 0.000 0.999 686 V HN 0.421 nan 8.190 nan 0.000 0.447 687 N N 4.617 123.201 118.700 -0.193 0.000 2.406 687 N HA 0.183 4.924 4.740 0.002 0.000 0.265 687 N C 0.691 176.055 175.510 -0.242 0.000 1.203 687 N CA -0.072 52.642 53.050 -0.560 0.000 0.945 687 N CB 0.582 38.580 38.487 -0.815 0.000 1.165 687 N HN 0.721 nan 8.380 nan 0.000 0.485 688 I N -0.304 120.130 120.570 -0.228 0.000 4.035 688 I HA 0.337 4.508 4.170 0.002 0.000 0.321 688 I C 0.561 176.615 176.117 -0.104 0.000 1.289 688 I CA -0.183 61.035 61.300 -0.136 0.000 1.236 688 I CB 0.350 38.175 38.000 -0.293 0.000 1.076 688 I HN 0.346 nan 8.210 nan 0.000 0.418 689 T N 0.254 114.724 114.554 -0.140 0.000 2.957 689 T HA 0.345 4.696 4.350 0.002 0.000 0.336 689 T C -2.075 172.590 174.700 -0.058 0.000 1.462 689 T CA -0.548 61.540 62.100 -0.021 0.000 1.073 689 T CB 1.894 70.827 68.868 0.108 0.000 1.319 689 T HN 0.061 nan 8.240 nan 0.000 0.485 690 D N 2.580 122.978 120.400 -0.004 0.000 2.256 690 D HA 0.667 5.308 4.640 0.002 0.000 0.246 690 D C -0.267 176.047 176.300 0.024 0.000 1.042 690 D CA -0.258 53.750 54.000 0.014 0.000 0.841 690 D CB 1.972 42.807 40.800 0.058 0.000 1.223 690 D HN 0.328 nan 8.370 nan 0.000 0.470 691 Q N 0.378 120.182 119.800 0.006 0.000 2.293 691 Q HA 0.651 4.992 4.340 0.002 0.000 0.216 691 Q C -0.445 175.480 176.000 -0.124 0.000 1.003 691 Q CA -0.612 55.125 55.803 -0.111 0.000 0.995 691 Q CB 1.531 30.210 28.738 -0.099 0.000 1.172 691 Q HN 0.413 nan 8.270 nan 0.000 0.518 692 I N 0.895 121.303 120.570 -0.270 0.000 2.404 692 I HA 0.285 4.456 4.170 0.002 0.000 0.293 692 I C -1.217 174.752 176.117 -0.247 0.000 0.992 692 I CA -1.004 60.042 61.300 -0.424 0.000 1.149 692 I CB 1.234 38.824 38.000 -0.683 0.000 1.315 692 I HN 0.506 nan 8.210 nan 0.000 0.446 693 Y N 6.057 126.175 120.300 -0.304 0.000 2.331 693 Y HA 0.212 4.763 4.550 0.002 0.000 0.338 693 Y C 1.012 176.790 175.900 -0.202 0.000 0.976 693 Y CA -0.172 57.805 58.100 -0.204 0.000 1.137 693 Y CB 1.202 39.592 38.460 -0.116 0.000 1.172 693 Y HN 0.585 nan 8.280 nan 0.000 0.478 694 Q N 4.483 123.830 119.800 -0.754 0.000 2.046 694 Q HA 0.030 4.371 4.340 0.002 0.000 0.200 694 Q C 1.367 176.987 176.000 -0.634 0.000 0.975 694 Q CA 2.046 57.501 55.803 -0.580 0.000 0.836 694 Q CB -0.277 28.196 28.738 -0.442 0.000 0.896 694 Q HN 1.265 nan 8.270 nan 0.000 0.428 695 G N -1.554 106.604 108.800 -1.069 0.000 2.176 695 G HA2 -0.247 3.714 3.960 0.002 0.000 0.232 695 G HA3 -0.247 3.714 3.960 0.002 0.000 0.232 695 G C 0.826 175.635 174.900 -0.152 0.000 0.986 695 G CA 0.654 45.388 45.100 -0.610 0.000 0.643 695 G HN 0.584 nan 8.290 nan 0.000 0.522 696 G N 0.176 108.878 108.800 -0.163 0.000 2.484 696 G HA2 0.391 4.352 3.960 0.002 0.000 0.218 696 G HA3 0.391 4.352 3.960 0.002 0.000 0.218 696 G C 0.906 175.946 174.900 0.234 0.000 1.130 696 G CA 1.326 46.444 45.100 0.030 0.000 0.784 696 G HN 1.550 nan 8.290 nan 0.000 0.543 697 I N -4.517 116.124 120.570 0.120 0.000 3.174 697 I HA 0.571 4.743 4.170 0.002 0.000 0.313 697 I C 0.997 177.084 176.117 -0.050 0.000 1.155 697 I CA -1.100 60.331 61.300 0.219 0.000 0.977 697 I CB 1.909 40.014 38.000 0.175 0.000 1.248 697 I HN -0.217 nan 8.210 nan 0.000 0.453 698 V N 1.886 121.695 119.914 -0.174 0.000 2.548 698 V HA -0.015 4.106 4.120 0.002 0.000 0.249 698 V C 1.115 177.192 176.094 -0.029 0.000 1.055 698 V CA 1.313 63.380 62.300 -0.388 0.000 1.065 698 V CB -0.768 30.889 31.823 -0.276 0.000 0.681 698 V HN 0.780 nan 8.190 nan 0.000 0.462 699 N N 0.958 119.716 118.700 0.098 0.000 2.482 699 N HA 0.137 4.879 4.740 0.002 0.000 0.260 699 N C -0.403 175.274 175.510 0.279 0.000 1.236 699 N CA 0.446 53.601 53.050 0.175 0.000 0.938 699 N CB 1.352 39.976 38.487 0.228 0.000 1.128 699 N HN 0.319 nan 8.380 nan 0.000 0.448 700 S N -0.814 115.029 115.700 0.238 0.000 2.532 700 S HA 0.513 4.985 4.470 0.002 0.000 0.299 700 S C 0.822 175.517 174.600 0.158 0.000 1.105 700 S CA -0.760 57.587 58.200 0.245 0.000 1.018 700 S CB 1.085 64.365 63.200 0.134 0.000 1.021 700 S HN 0.600 nan 8.310 nan 0.000 0.483 701 G N 2.607 111.440 108.800 0.054 0.000 2.985 701 G HA2 0.157 4.118 3.960 0.002 0.000 0.209 701 G HA3 0.157 4.118 3.960 0.002 0.000 0.209 701 G C 0.262 175.096 174.900 -0.109 0.000 1.165 701 G CA 0.062 45.094 45.100 -0.113 0.000 0.776 701 G HN 0.654 nan 8.290 nan 0.000 0.541 702 V N 1.108 121.019 119.914 -0.005 0.000 2.599 702 V HA 0.464 4.585 4.120 0.002 0.000 0.300 702 V C 1.415 177.589 176.094 0.133 0.000 1.034 702 V CA 0.952 63.283 62.300 0.052 0.000 1.115 702 V CB 0.010 31.883 31.823 0.082 0.000 0.934 702 V HN 0.798 nan 8.190 nan 0.000 0.485 703 G N 3.799 112.757 108.800 0.262 0.000 2.509 703 G HA2 -0.061 3.900 3.960 0.002 0.000 0.256 703 G HA3 -0.061 3.900 3.960 0.002 0.000 0.256 703 G C 0.436 175.512 174.900 0.294 0.000 1.152 703 G CA 0.196 45.520 45.100 0.373 0.000 0.951 703 G HN 2.217 nan 8.290 nan 0.000 0.559 704 V N -2.291 117.807 119.914 0.306 0.000 5.482 704 V HA 0.075 4.197 4.120 0.002 0.000 0.262 704 V C 1.269 177.580 176.094 0.362 0.000 0.664 704 V CA 2.036 64.534 62.300 0.331 0.000 0.609 704 V CB -2.043 29.978 31.823 0.330 0.000 0.306 704 V HN 2.522 nan 8.190 nan 0.000 0.731 705 G N -0.563 108.483 108.800 0.410 0.000 2.695 705 G HA2 0.702 4.663 3.960 0.002 0.000 0.213 705 G HA3 0.702 4.663 3.960 0.002 0.000 0.213 705 G C -0.188 174.942 174.900 0.383 0.000 1.406 705 G CA -0.157 45.145 45.100 0.337 0.000 1.049 705 G HN 1.506 nan 8.290 nan 0.000 0.573 706 S N -2.565 113.339 115.700 0.339 0.000 2.550 706 S HA 0.569 5.040 4.470 0.002 0.000 0.270 706 S C -1.557 173.237 174.600 0.325 0.000 1.145 706 S CA -0.472 57.915 58.200 0.312 0.000 0.852 706 S CB 1.840 65.180 63.200 0.233 0.000 1.119 706 S HN 0.589 nan 8.310 nan 0.000 0.465 707 V N 3.594 123.683 119.914 0.291 0.000 2.588 707 V HA 0.782 4.904 4.120 0.002 0.000 0.304 707 V C -0.381 175.860 176.094 0.245 0.000 1.042 707 V CA -0.523 61.943 62.300 0.277 0.000 0.877 707 V CB 1.589 33.602 31.823 0.316 0.000 0.996 707 V HN 0.876 nan 8.190 nan 0.000 0.425 708 V N 2.925 123.000 119.914 0.268 0.000 3.040 708 V HA 0.851 4.972 4.120 0.002 0.000 0.312 708 V C -0.878 175.424 176.094 0.347 0.000 1.115 708 V CA -0.802 61.657 62.300 0.266 0.000 0.998 708 V CB 2.170 34.106 31.823 0.189 0.000 1.042 708 V HN 0.464 nan 8.190 nan 0.000 0.433 709 V N 2.576 122.676 119.914 0.311 0.000 2.459 709 V HA 0.611 4.733 4.120 0.002 0.000 0.295 709 V C -0.142 176.127 176.094 0.291 0.000 1.029 709 V CA -0.491 62.005 62.300 0.328 0.000 0.874 709 V CB 1.598 33.577 31.823 0.261 0.000 0.985 709 V HN 1.045 nan 8.190 nan 0.000 0.438 710 K N 3.987 124.607 120.400 0.367 0.000 2.507 710 K HA 0.434 4.755 4.320 0.002 0.000 0.252 710 K C -0.458 176.310 176.600 0.280 0.000 0.943 710 K CA -0.437 56.004 56.287 0.256 0.000 0.808 710 K CB 1.214 33.800 32.500 0.144 0.000 1.142 710 K HN 0.817 nan 8.250 nan 0.000 0.426 711 D N 2.002 122.510 120.400 0.180 0.000 3.608 711 D HA -0.284 4.357 4.640 0.002 0.000 0.152 711 D C -0.045 176.326 176.300 0.119 0.000 0.971 711 D CA 1.120 55.208 54.000 0.147 0.000 1.072 711 D CB -0.419 40.482 40.800 0.167 0.000 0.507 711 D HN 0.667 nan 8.370 nan 0.000 0.520 712 N N 0.549 119.288 118.700 0.065 0.000 2.376 712 N HA 0.186 4.927 4.740 0.002 0.000 0.249 712 N C -1.008 174.275 175.510 -0.378 0.000 1.140 712 N CA 0.172 53.142 53.050 -0.133 0.000 0.870 712 N CB -0.089 38.276 38.487 -0.202 0.000 1.124 712 N HN 0.248 nan 8.380 nan 0.000 0.505 713 Y N -0.295 120.023 120.300 0.030 0.000 2.462 713 Y HA 0.487 5.038 4.550 0.002 0.000 0.346 713 Y C -0.071 175.790 175.900 -0.065 0.000 0.976 713 Y CA -0.876 57.166 58.100 -0.096 0.000 1.044 713 Y CB 2.087 40.397 38.460 -0.251 0.000 1.230 713 Y HN -0.123 nan 8.280 nan 0.000 0.455 714 I N 2.698 123.280 120.570 0.020 0.000 2.525 714 I HA 0.471 4.642 4.170 0.002 0.000 0.301 714 I C -1.645 174.423 176.117 -0.082 0.000 0.992 714 I CA -0.831 60.539 61.300 0.117 0.000 1.162 714 I CB 1.124 39.269 38.000 0.240 0.000 1.332 714 I HN 0.580 nan 8.210 nan 0.000 0.458 715 Y N 6.376 126.760 120.300 0.139 0.000 2.361 715 Y HA 0.338 4.890 4.550 0.003 0.000 0.337 715 Y C -1.133 174.781 175.900 0.023 0.000 0.965 715 Y CA -0.609 57.549 58.100 0.096 0.000 1.091 715 Y CB 1.538 40.070 38.460 0.120 0.000 1.182 715 Y HN 0.397 nan 8.280 nan 0.000 0.450 716 Y N 4.672 124.901 120.300 -0.118 0.000 2.388 716 Y HA 0.624 5.175 4.550 0.002 0.000 0.328 716 Y C -1.270 174.729 175.900 0.164 0.000 0.963 716 Y CA -1.950 55.992 58.100 -0.264 0.000 1.240 716 Y CB 0.798 38.632 38.460 -1.043 0.000 1.118 716 Y HN 0.662 nan 8.280 nan 0.000 0.484 717 M N 8.765 128.359 119.600 -0.011 0.000 2.113 717 M HA 0.477 4.958 4.480 0.002 0.000 0.352 717 M C -1.246 174.995 176.300 -0.100 0.000 1.170 717 M CA -0.312 54.954 55.300 -0.057 0.000 1.053 717 M CB 0.698 33.270 32.600 -0.046 0.000 1.601 717 M HN 0.620 nan 8.290 nan 0.000 0.459 718 F N 0.024 119.711 119.950 -0.439 0.000 2.741 718 F HA 0.930 5.458 4.527 0.002 0.000 0.313 718 F C -0.285 175.411 175.800 -0.173 0.000 1.153 718 F CA -1.430 56.351 58.000 -0.365 0.000 0.931 718 F CB 0.727 39.316 39.000 -0.684 0.000 1.335 718 F HN 0.505 nan 8.300 nan 0.000 0.460 719 G N -0.487 108.232 108.800 -0.134 0.000 2.448 719 G HA2 0.584 4.546 3.960 0.002 0.000 0.285 719 G HA3 0.584 4.546 3.960 0.002 0.000 0.285 719 G C -0.748 174.034 174.900 -0.197 0.000 1.176 719 G CA -0.497 44.482 45.100 -0.202 0.000 0.852 719 G HN 1.289 nan 8.290 nan 0.000 0.530 720 G N -0.111 108.614 108.800 -0.125 0.000 2.720 720 G HA2 0.591 4.552 3.960 0.002 0.000 0.295 720 G HA3 0.591 4.552 3.960 0.002 0.000 0.295 720 G C -0.859 173.985 174.900 -0.095 0.000 1.437 720 G CA -0.633 44.354 45.100 -0.188 0.000 0.886 720 G HN 0.571 nan 8.290 nan 0.000 0.509 721 E N -0.640 119.448 120.200 -0.186 0.000 2.405 721 E HA 0.596 4.947 4.350 0.002 0.000 0.249 721 E C -0.696 175.738 176.600 -0.278 0.000 1.028 721 E CA -0.706 55.558 56.400 -0.227 0.000 0.897 721 E CB 1.434 30.968 29.700 -0.276 0.000 1.262 721 E HN 0.646 nan 8.360 nan 0.000 0.442 722 D N -1.884 118.316 120.400 -0.334 0.000 2.732 722 D HA 0.171 4.812 4.640 0.002 0.000 0.292 722 D C 0.308 176.278 176.300 -0.549 0.000 1.135 722 D CA -0.549 53.171 54.000 -0.467 0.000 1.071 722 D CB 0.201 40.772 40.800 -0.381 0.000 1.457 722 D HN 0.329 nan 8.370 nan 0.000 0.547 723 H N -1.114 117.665 119.070 -0.484 0.000 2.547 723 H HA 0.165 4.723 4.556 0.002 0.000 0.266 723 H C -0.201 174.934 175.328 -0.322 0.000 0.988 723 H CA 0.116 55.921 56.048 -0.404 0.000 1.147 723 H CB -0.266 29.293 29.762 -0.339 0.000 1.365 723 H HN 0.196 nan 8.280 nan 0.000 0.589 724 F N 1.956 121.833 119.950 -0.122 0.000 2.438 724 F HA 0.083 4.611 4.527 0.002 0.000 0.360 724 F C 1.228 176.786 175.800 -0.403 0.000 1.118 724 F CA -1.041 56.842 58.000 -0.195 0.000 1.164 724 F CB -0.070 38.845 39.000 -0.142 0.000 1.131 724 F HN -0.039 nan 8.300 nan 0.000 0.527 725 N N 6.057 124.466 118.700 -0.486 0.000 2.458 725 N HA 0.025 4.766 4.740 0.002 0.000 0.258 725 N C -1.515 173.330 175.510 -1.108 0.000 1.219 725 N CA -1.127 51.352 53.050 -0.951 0.000 0.902 725 N CB 1.264 38.740 38.487 -1.685 0.000 1.076 725 N HN 0.209 nan 8.380 nan 0.000 0.455 726 P HA -0.022 nan 4.420 nan 0.000 0.236 726 P C -0.528 176.596 177.300 -0.293 0.000 1.177 726 P CA 0.547 63.370 63.100 -0.461 0.000 0.773 726 P CB -0.125 31.467 31.700 -0.181 0.000 0.878 727 W N -1.480 119.806 121.300 -0.023 0.000 4.435 727 W HA -0.188 4.473 4.660 0.002 0.000 0.351 727 W C 1.082 177.584 176.519 -0.029 0.000 1.319 727 W CA 0.183 57.525 57.345 -0.005 0.000 0.791 727 W CB -3.149 26.302 29.460 -0.014 0.000 2.419 727 W HN -0.083 nan 8.180 nan 0.000 1.406 728 T N -1.339 113.242 114.554 0.045 0.000 2.746 728 T HA -0.216 4.135 4.350 0.002 0.000 0.267 728 T C 0.408 174.973 174.700 -0.225 0.000 1.039 728 T CA 1.439 63.455 62.100 -0.140 0.000 1.142 728 T CB -0.253 68.423 68.868 -0.319 0.000 0.866 728 T HN 0.072 nan 8.240 nan 0.000 0.444 729 Y N 1.331 121.748 120.300 0.195 0.000 2.595 729 Y HA 0.586 5.137 4.550 0.002 0.000 0.336 729 Y C 0.941 176.980 175.900 0.232 0.000 0.996 729 Y CA -0.491 57.717 58.100 0.181 0.000 1.260 729 Y CB 0.549 39.106 38.460 0.162 0.000 1.108 729 Y HN 0.320 nan 8.280 nan 0.000 0.509 730 G N 2.063 111.034 108.800 0.285 0.000 2.347 730 G HA2 -0.102 3.859 3.960 0.002 0.000 0.224 730 G HA3 -0.102 3.859 3.960 0.002 0.000 0.224 730 G C -0.522 174.452 174.900 0.123 0.000 1.318 730 G CA -0.177 45.047 45.100 0.208 0.000 1.016 730 G HN 0.417 nan 8.290 nan 0.000 0.469 731 D N -0.410 120.026 120.400 0.060 0.000 2.340 731 D HA 0.166 4.808 4.640 0.002 0.000 0.220 731 D C 0.776 177.117 176.300 0.067 0.000 1.039 731 D CA 0.427 54.439 54.000 0.020 0.000 0.866 731 D CB 0.260 41.016 40.800 -0.074 0.000 0.913 731 D HN 0.258 nan 8.370 nan 0.000 0.523 732 N N 0.073 118.850 118.700 0.128 0.000 2.642 732 N HA 0.034 4.775 4.740 0.002 0.000 0.308 732 N C 0.667 176.230 175.510 0.089 0.000 1.914 732 N CA 0.228 53.345 53.050 0.112 0.000 0.893 732 N CB 0.479 39.045 38.487 0.131 0.000 1.322 732 N HN 0.043 nan 8.380 nan 0.000 0.490 733 S N -1.146 114.596 115.700 0.070 0.000 2.419 733 S HA -0.094 4.377 4.470 0.002 0.000 0.233 733 S C 1.880 176.510 174.600 0.050 0.000 1.016 733 S CA 0.861 59.085 58.200 0.039 0.000 0.974 733 S CB -0.153 63.075 63.200 0.047 0.000 0.786 733 S HN 0.309 nan 8.310 nan 0.000 0.492 734 A N 1.596 124.456 122.820 0.066 0.000 2.172 734 A HA 0.136 4.457 4.320 0.002 0.000 0.216 734 A C 1.182 178.828 177.584 0.104 0.000 1.154 734 A CA 0.901 52.983 52.037 0.076 0.000 0.701 734 A CB -0.700 18.346 19.000 0.077 0.000 0.789 734 A HN 0.593 nan 8.150 nan 0.000 0.465 735 K N -0.459 120.015 120.400 0.124 0.000 3.129 735 K HA -0.171 4.150 4.320 0.002 0.000 0.273 735 K C -0.581 176.159 176.600 0.233 0.000 1.123 735 K CA 0.719 57.140 56.287 0.224 0.000 0.800 735 K CB -1.574 31.075 32.500 0.249 0.000 1.238 735 K HN 0.620 nan 8.250 nan 0.000 0.492 736 D N 0.759 121.231 120.400 0.121 0.000 2.412 736 D HA 0.031 4.672 4.640 0.002 0.000 0.257 736 D C -1.389 174.873 176.300 -0.064 0.000 1.217 736 D CA -1.923 52.126 54.000 0.082 0.000 0.897 736 D CB 1.046 41.906 40.800 0.101 0.000 1.132 736 D HN -0.019 nan 8.370 nan 0.000 0.493 737 P HA -0.066 nan 4.420 nan 0.000 0.222 737 P C 0.544 177.429 177.300 -0.691 0.000 1.147 737 P CA 0.845 63.594 63.100 -0.586 0.000 0.790 737 P CB 0.014 31.042 31.700 -1.120 0.000 0.780 738 F N -0.737 119.175 119.950 -0.063 0.000 2.732 738 F HA 0.183 4.711 4.527 0.002 0.000 0.303 738 F C 1.007 176.791 175.800 -0.026 0.000 1.110 738 F CA -0.075 57.896 58.000 -0.048 0.000 1.355 738 F CB -0.486 38.500 39.000 -0.023 0.000 1.081 738 F HN -0.284 nan 8.300 nan 0.000 0.565 739 K N 0.025 120.456 120.400 0.052 0.000 2.143 739 K HA 0.437 4.758 4.320 0.002 0.000 0.272 739 K C 0.935 177.545 176.600 0.016 0.000 1.001 739 K CA -0.141 56.173 56.287 0.045 0.000 0.915 739 K CB 1.464 33.993 32.500 0.049 0.000 1.047 739 K HN 0.011 nan 8.250 nan 0.000 0.458 740 S N 1.381 117.100 115.700 0.032 0.000 4.050 740 S HA -0.234 4.237 4.470 0.002 0.000 0.602 740 S C 0.454 175.025 174.600 -0.048 0.000 2.030 740 S CA 1.508 59.726 58.200 0.031 0.000 4.208 740 S CB -0.701 62.609 63.200 0.184 0.000 0.290 740 S HN 0.870 nan 8.310 nan 0.000 0.615 741 D N 2.973 123.318 120.400 -0.091 0.000 2.342 741 D HA 0.383 5.024 4.640 0.002 0.000 0.221 741 D C 1.265 177.458 176.300 -0.178 0.000 1.101 741 D CA 0.987 54.873 54.000 -0.191 0.000 0.837 741 D CB -0.162 40.423 40.800 -0.358 0.000 0.938 741 D HN 0.785 nan 8.370 nan 0.000 0.508 742 G N 1.372 110.038 108.800 -0.225 0.000 2.614 742 G HA2 -0.293 3.668 3.960 0.002 0.000 0.303 742 G HA3 -0.293 3.668 3.960 0.002 0.000 0.303 742 G C -0.369 174.228 174.900 -0.505 0.000 1.270 742 G CA -0.032 44.830 45.100 -0.397 0.000 0.988 742 G HN 0.488 nan 8.290 nan 0.000 0.551 743 H N 2.070 121.059 119.070 -0.135 0.000 2.467 743 H HA 0.470 5.027 4.556 0.002 0.000 0.326 743 H C -1.210 173.994 175.328 -0.207 0.000 1.094 743 H CA -1.257 54.694 56.048 -0.163 0.000 1.253 743 H CB 1.975 31.685 29.762 -0.086 0.000 1.439 743 H HN 0.304 nan 8.280 nan 0.000 0.479 744 P HA -0.061 nan 4.420 nan 0.000 0.225 744 P C -0.138 177.023 177.300 -0.232 0.000 1.156 744 P CA 0.380 63.372 63.100 -0.181 0.000 0.787 744 P CB 0.441 32.003 31.700 -0.230 0.000 0.802 745 S N 1.227 116.702 115.700 -0.376 0.000 2.516 745 S HA 0.182 4.653 4.470 0.002 0.000 0.282 745 S C 0.129 174.583 174.600 -0.242 0.000 1.286 745 S CA 0.292 58.266 58.200 -0.377 0.000 1.066 745 S CB 0.275 63.081 63.200 -0.658 0.000 0.884 745 S HN 0.117 nan 8.310 nan 0.000 0.491 746 D N 0.988 121.255 120.400 -0.222 0.000 2.596 746 D HA 0.387 5.028 4.640 0.002 0.000 0.262 746 D C -0.704 175.348 176.300 -0.413 0.000 1.210 746 D CA -0.536 53.279 54.000 -0.308 0.000 0.873 746 D CB 1.421 42.023 40.800 -0.329 0.000 1.408 746 D HN 0.271 nan 8.370 nan 0.000 0.441 747 L N 1.055 121.919 121.223 -0.599 0.000 2.357 747 L HA 0.444 4.785 4.340 0.002 0.000 0.273 747 L C -0.731 175.589 176.870 -0.917 0.000 1.080 747 L CA -0.504 53.952 54.840 -0.641 0.000 0.803 747 L CB 0.546 42.213 42.059 -0.654 0.000 1.174 747 L HN 0.317 nan 8.230 nan 0.000 0.443 748 Y N 0.406 120.277 120.300 -0.716 0.000 2.602 748 Y HA 0.525 5.077 4.550 0.002 0.000 0.342 748 Y C -0.282 175.306 175.900 -0.520 0.000 1.029 748 Y CA -0.653 57.053 58.100 -0.657 0.000 1.080 748 Y CB 2.158 40.115 38.460 -0.840 0.000 1.284 748 Y HN 0.479 nan 8.280 nan 0.000 0.485 749 C N 2.196 121.474 119.300 -0.036 0.000 2.516 749 C HA 0.485 4.946 4.460 0.002 0.000 0.338 749 C C -1.540 173.695 174.990 0.409 0.000 1.132 749 C CA -0.821 58.284 59.018 0.144 0.000 1.310 749 C CB -0.698 27.024 27.740 -0.030 0.000 1.898 749 C HN 0.793 nan 8.230 nan 0.000 0.452 750 Y N 5.063 125.589 120.300 0.378 0.000 2.350 750 Y HA 0.450 5.001 4.550 0.002 0.000 0.340 750 Y C 0.321 176.330 175.900 0.182 0.000 1.006 750 Y CA 0.249 58.540 58.100 0.319 0.000 1.166 750 Y CB 0.494 39.143 38.460 0.316 0.000 1.168 750 Y HN 0.731 nan 8.280 nan 0.000 0.502 751 K N 8.200 128.487 120.400 -0.190 0.000 2.263 751 K HA 0.394 4.715 4.320 0.002 0.000 0.272 751 K C -1.315 175.146 176.600 -0.231 0.000 1.033 751 K CA -0.600 55.534 56.287 -0.255 0.000 0.884 751 K CB 0.641 33.018 32.500 -0.206 0.000 1.107 751 K HN 0.852 nan 8.250 nan 0.000 0.460 752 M N 4.427 124.013 119.600 -0.023 0.000 2.321 752 M HA 0.263 4.745 4.480 0.002 0.000 0.315 752 M C -0.995 175.363 176.300 0.097 0.000 1.052 752 M CA -0.814 54.557 55.300 0.117 0.000 0.936 752 M CB 1.545 34.296 32.600 0.252 0.000 1.639 752 M HN 0.503 nan 8.290 nan 0.000 0.433 753 K N 4.369 124.792 120.400 0.039 0.000 2.368 753 K HA 0.243 4.565 4.320 0.002 0.000 0.282 753 K C 0.189 176.670 176.600 -0.198 0.000 1.035 753 K CA 0.084 56.213 56.287 -0.262 0.000 0.973 753 K CB 0.350 32.708 32.500 -0.236 0.000 0.957 753 K HN 0.779 nan 8.250 nan 0.000 0.474 754 I N 0.284 120.704 120.570 -0.250 0.000 4.338 754 I HA 0.439 4.611 4.170 0.002 0.000 0.329 754 I C 0.384 176.422 176.117 -0.130 0.000 1.378 754 I CA -0.707 60.517 61.300 -0.128 0.000 1.170 754 I CB 1.255 39.227 38.000 -0.047 0.000 1.206 754 I HN 0.548 nan 8.210 nan 0.000 0.432 755 G N 0.749 109.430 108.800 -0.198 0.000 2.623 755 G HA2 0.557 4.519 3.960 0.002 0.000 0.290 755 G HA3 0.557 4.519 3.960 0.002 0.000 0.290 755 G C -3.355 171.443 174.900 -0.170 0.000 1.437 755 G CA -1.364 43.649 45.100 -0.144 0.000 0.798 755 G HN -0.251 nan 8.290 nan 0.000 0.488 756 P HA 0.162 nan 4.420 nan 0.000 0.266 756 P C -0.954 176.296 177.300 -0.083 0.000 1.195 756 P CA 0.090 63.139 63.100 -0.085 0.000 0.768 756 P CB 0.765 32.435 31.700 -0.049 0.000 0.838 757 D N 2.249 122.614 120.400 -0.058 0.000 2.460 757 D HA 0.129 4.770 4.640 0.002 0.000 0.232 757 D C -0.088 176.220 176.300 0.013 0.000 1.079 757 D CA -0.224 53.772 54.000 -0.006 0.000 0.864 757 D CB -0.257 40.568 40.800 0.041 0.000 1.048 757 D HN 0.188 nan 8.370 nan 0.000 0.523 758 N N 2.058 120.766 118.700 0.014 0.000 2.370 758 N HA 0.093 4.835 4.740 0.002 0.000 0.198 758 N C 0.156 175.680 175.510 0.022 0.000 1.156 758 N CA 0.052 53.110 53.050 0.014 0.000 0.839 758 N CB 0.648 39.140 38.487 0.009 0.000 0.989 758 N HN 0.088 nan 8.380 nan 0.000 0.468 759 R N 0.152 120.673 120.500 0.034 0.000 2.778 759 R HA 0.442 4.783 4.340 0.002 0.000 0.277 759 R C -0.413 175.909 176.300 0.038 0.000 0.977 759 R CA -0.896 55.225 56.100 0.036 0.000 0.950 759 R CB 1.875 32.201 30.300 0.043 0.000 1.165 759 R HN -0.096 nan 8.270 nan 0.000 0.474 760 V N 1.386 121.319 119.914 0.032 0.000 2.999 760 V HA -0.060 4.061 4.120 0.002 0.000 0.307 760 V C 0.855 176.973 176.094 0.040 0.000 1.084 760 V CA 0.280 62.599 62.300 0.033 0.000 1.155 760 V CB 1.498 33.337 31.823 0.027 0.000 0.975 760 V HN 0.784 nan 8.190 nan 0.000 0.490 761 S N 2.304 118.028 115.700 0.040 0.000 2.558 761 S HA 0.112 4.584 4.470 0.002 0.000 0.288 761 S C 0.895 175.522 174.600 0.045 0.000 1.318 761 S CA -0.193 58.032 58.200 0.042 0.000 1.056 761 S CB 0.172 63.393 63.200 0.035 0.000 0.853 761 S HN 0.637 nan 8.310 nan 0.000 0.505 762 R N 1.728 122.250 120.500 0.037 0.000 2.362 762 R HA 0.296 4.637 4.340 0.002 0.000 0.227 762 R C -0.507 175.833 176.300 0.066 0.000 0.905 762 R CA -0.093 56.042 56.100 0.059 0.000 1.067 762 R CB 0.002 30.325 30.300 0.038 0.000 1.078 762 R HN 0.540 nan 8.270 nan 0.000 0.516 763 D N 0.950 121.350 120.400 -0.000 0.000 2.455 763 D HA 0.093 4.734 4.640 0.002 0.000 0.241 763 D C -0.256 176.059 176.300 0.025 0.000 1.138 763 D CA 0.607 54.554 54.000 -0.089 0.000 0.877 763 D CB 0.418 41.180 40.800 -0.063 0.000 1.187 763 D HN 0.002 nan 8.370 nan 0.000 0.451 764 F N -1.001 118.980 119.950 0.050 0.000 2.613 764 F HA 0.542 5.070 4.527 0.002 0.000 0.314 764 F C -0.165 175.682 175.800 0.078 0.000 1.075 764 F CA -1.603 56.427 58.000 0.050 0.000 0.945 764 F CB 1.169 40.192 39.000 0.039 0.000 1.310 764 F HN 0.053 nan 8.300 nan 0.000 0.467 765 R N 1.733 122.425 120.500 0.320 0.000 2.308 765 R HA 0.300 4.642 4.340 0.002 0.000 0.305 765 R C -1.640 174.906 176.300 0.409 0.000 1.053 765 R CA -0.566 55.696 56.100 0.269 0.000 0.957 765 R CB 0.577 30.966 30.300 0.149 0.000 1.022 765 R HN 0.893 nan 8.270 nan 0.000 0.461 766 Y N 3.666 124.144 120.300 0.297 0.000 2.531 766 Y HA 0.284 4.835 4.550 0.002 0.000 0.347 766 Y C 0.649 176.623 175.900 0.122 0.000 1.024 766 Y CA 0.557 58.810 58.100 0.256 0.000 1.306 766 Y CB 1.198 39.812 38.460 0.256 0.000 1.149 766 Y HN 0.864 nan 8.280 nan 0.000 0.527 767 G N 4.331 112.996 108.800 -0.225 0.000 3.441 767 G HA2 0.406 4.367 3.960 0.002 0.000 0.263 767 G HA3 0.406 4.367 3.960 0.002 0.000 0.263 767 G C 0.022 174.754 174.900 -0.279 0.000 1.014 767 G CA 0.262 45.266 45.100 -0.159 0.000 0.833 767 G HN 0.838 nan 8.290 nan 0.000 0.514 768 A N 0.032 122.476 122.820 -0.627 0.000 2.304 768 A HA 0.642 4.963 4.320 0.002 0.000 0.271 768 A C 0.138 177.594 177.584 -0.213 0.000 1.091 768 A CA -0.298 51.465 52.037 -0.456 0.000 0.812 768 A CB 1.026 19.681 19.000 -0.575 0.000 1.056 768 A HN 0.261 nan 8.150 nan 0.000 0.489 769 V N 3.001 122.861 119.914 -0.090 0.000 2.479 769 V HA 0.162 4.283 4.120 0.002 0.000 0.281 769 V C -1.961 174.161 176.094 0.048 0.000 1.031 769 V CA -0.686 61.614 62.300 0.001 0.000 1.038 769 V CB 0.443 32.256 31.823 -0.017 0.000 0.981 769 V HN 0.738 nan 8.190 nan 0.000 0.478 770 P HA 0.187 nan 4.420 nan 0.000 0.265 770 P C -0.078 177.246 177.300 0.040 0.000 1.222 770 P CA 0.171 63.369 63.100 0.164 0.000 0.767 770 P CB 0.258 32.046 31.700 0.146 0.000 0.801 771 N N 2.379 121.087 118.700 0.013 0.000 2.466 771 N HA 0.106 4.848 4.740 0.002 0.000 0.272 771 N C 0.716 176.204 175.510 -0.038 0.000 1.455 771 N CA -0.081 52.928 53.050 -0.069 0.000 0.875 771 N CB 0.230 38.626 38.487 -0.151 0.000 1.372 771 N HN 0.026 nan 8.380 nan 0.000 0.492 772 R N -0.308 120.188 120.500 -0.007 0.000 2.103 772 R HA 0.367 4.708 4.340 0.002 0.000 0.212 772 R C 1.767 178.053 176.300 -0.022 0.000 1.107 772 R CA 0.907 57.005 56.100 -0.003 0.000 1.025 772 R CB -0.992 29.309 30.300 0.002 0.000 0.929 772 R HN 0.177 nan 8.270 nan 0.000 0.456 773 A N 1.032 123.834 122.820 -0.029 0.000 1.858 773 A HA -0.024 4.297 4.320 0.002 0.000 0.216 773 A C 0.839 178.387 177.584 -0.061 0.000 1.190 773 A CA 1.249 53.256 52.037 -0.049 0.000 0.617 773 A CB -0.049 18.927 19.000 -0.041 0.000 0.827 773 A HN 0.052 nan 8.150 nan 0.000 0.443 774 V N 1.058 120.940 119.914 -0.053 0.000 2.320 774 V HA 0.273 4.394 4.120 0.002 0.000 0.268 774 V C -2.893 173.157 176.094 -0.073 0.000 1.021 774 V CA -1.495 60.775 62.300 -0.051 0.000 0.813 774 V CB 0.981 32.783 31.823 -0.035 0.000 1.054 774 V HN 0.188 nan 8.190 nan 0.000 0.444 775 P HA 0.188 nan 4.420 nan 0.000 0.269 775 P C -0.432 176.715 177.300 -0.254 0.000 1.252 775 P CA 0.346 63.371 63.100 -0.125 0.000 0.780 775 P CB 0.781 32.553 31.700 0.120 0.000 0.829 776 V N 5.571 125.146 119.914 -0.565 0.000 2.513 776 V HA 0.529 4.650 4.120 0.002 0.000 0.299 776 V C -0.315 175.226 176.094 -0.922 0.000 1.035 776 V CA -0.335 61.664 62.300 -0.501 0.000 0.889 776 V CB 1.065 32.703 31.823 -0.309 0.000 0.988 776 V HN 0.309 nan 8.190 nan 0.000 0.440 777 F N 3.038 122.955 119.950 -0.055 0.000 2.561 777 F HA 0.544 5.072 4.527 0.001 0.000 0.313 777 F C -0.354 175.429 175.800 -0.029 0.000 1.126 777 F CA -0.700 57.308 58.000 0.013 0.000 0.918 777 F CB 1.477 40.489 39.000 0.021 0.000 1.199 777 F HN 0.277 nan 8.300 nan 0.000 0.444 778 F N 3.133 123.159 119.950 0.126 0.000 2.502 778 F HA 0.121 4.650 4.527 0.003 0.000 0.371 778 F C 0.957 176.813 175.800 0.093 0.000 1.083 778 F CA -0.454 57.594 58.000 0.080 0.000 1.174 778 F CB 0.132 39.158 39.000 0.043 0.000 1.096 778 F HN 0.497 nan 8.300 nan 0.000 0.545 779 D N 0.416 120.922 120.400 0.177 0.000 2.393 779 D HA -0.026 4.616 4.640 0.002 0.000 0.246 779 D C 1.331 177.703 176.300 0.121 0.000 1.275 779 D CA -0.014 54.059 54.000 0.123 0.000 0.979 779 D CB 0.006 40.846 40.800 0.067 0.000 1.101 779 D HN 0.514 nan 8.370 nan 0.000 0.505 780 T N -3.234 111.365 114.554 0.075 0.000 3.051 780 T HA -0.158 4.193 4.350 0.002 0.000 0.269 780 T C 1.184 175.918 174.700 0.057 0.000 1.127 780 T CA 1.013 63.148 62.100 0.059 0.000 1.107 780 T CB -0.460 68.429 68.868 0.034 0.000 0.898 780 T HN 0.415 nan 8.240 nan 0.000 0.517 781 N N 0.862 119.599 118.700 0.062 0.000 2.322 781 N HA 0.236 4.978 4.740 0.002 0.000 0.194 781 N C 1.328 176.888 175.510 0.083 0.000 1.126 781 N CA 0.621 53.705 53.050 0.056 0.000 0.845 781 N CB -0.287 38.223 38.487 0.039 0.000 0.976 781 N HN 0.572 nan 8.380 nan 0.000 0.475 782 G N -0.541 108.340 108.800 0.135 0.000 2.136 782 G HA2 -0.225 3.736 3.960 0.002 0.000 0.242 782 G HA3 -0.225 3.736 3.960 0.002 0.000 0.242 782 G C -0.442 174.625 174.900 0.278 0.000 0.989 782 G CA 0.483 45.719 45.100 0.227 0.000 0.682 782 G HN 0.207 nan 8.290 nan 0.000 0.522 783 V N 0.504 120.498 119.914 0.133 0.000 2.459 783 V HA 0.499 4.620 4.120 0.002 0.000 0.295 783 V C 1.040 177.027 176.094 -0.178 0.000 1.029 783 V CA -1.142 61.155 62.300 -0.005 0.000 0.874 783 V CB 1.591 33.411 31.823 -0.005 0.000 0.985 783 V HN 0.395 nan 8.190 nan 0.000 0.438 784 R N 2.335 122.582 120.500 -0.422 0.000 2.502 784 R HA 0.303 4.644 4.340 0.002 0.000 0.292 784 R C -0.223 175.949 176.300 -0.213 0.000 0.998 784 R CA 0.390 56.175 56.100 -0.526 0.000 1.056 784 R CB 0.094 30.085 30.300 -0.516 0.000 0.939 784 R HN 0.748 nan 8.270 nan 0.000 0.411 785 T N 2.402 116.884 114.554 -0.120 0.000 2.841 785 T HA 0.285 4.636 4.350 0.002 0.000 0.285 785 T C -0.649 174.102 174.700 0.086 0.000 0.991 785 T CA -0.663 61.442 62.100 0.008 0.000 0.966 785 T CB 1.790 70.694 68.868 0.059 0.000 0.962 785 T HN 0.157 nan 8.240 nan 0.000 0.438 786 V N 6.198 126.152 119.914 0.067 0.000 2.313 786 V HA 0.291 4.412 4.120 0.002 0.000 0.278 786 V C -1.561 174.596 176.094 0.105 0.000 1.017 786 V CA -1.357 61.001 62.300 0.096 0.000 0.823 786 V CB 1.214 33.071 31.823 0.057 0.000 1.010 786 V HN 0.750 nan 8.190 nan 0.000 0.443 787 P HA 0.224 nan 4.420 nan 0.000 0.245 787 P C 0.512 177.843 177.300 0.053 0.000 1.203 787 P CA 0.173 63.316 63.100 0.073 0.000 0.792 787 P CB 0.414 32.135 31.700 0.036 0.000 0.997 788 A N 2.230 125.089 122.820 0.065 0.000 2.425 788 A HA 0.433 4.754 4.320 0.002 0.000 0.249 788 A C -2.028 175.568 177.584 0.020 0.000 1.084 788 A CA -1.101 50.955 52.037 0.032 0.000 0.781 788 A CB -0.712 18.301 19.000 0.022 0.000 1.019 788 A HN 0.051 nan 8.150 nan 0.000 0.490 789 P HA 0.314 nan 4.420 nan 0.000 0.271 789 P C -0.705 176.583 177.300 -0.021 0.000 1.216 789 P CA 0.442 63.544 63.100 0.003 0.000 0.771 789 P CB 0.662 32.359 31.700 -0.004 0.000 0.864 790 M N 1.441 121.035 119.600 -0.010 0.000 2.575 790 M HA 0.329 4.810 4.480 0.002 0.000 0.284 790 M C -0.468 175.793 176.300 -0.066 0.000 1.253 790 M CA -0.681 54.566 55.300 -0.089 0.000 0.861 790 M CB 3.018 35.531 32.600 -0.146 0.000 1.733 790 M HN 0.181 nan 8.290 nan 0.000 0.462 791 E N 1.844 121.934 120.200 -0.185 0.000 2.191 791 E HA 0.447 4.798 4.350 0.002 0.000 0.263 791 E C -1.700 174.753 176.600 -0.245 0.000 0.881 791 E CA -0.195 56.146 56.400 -0.098 0.000 0.757 791 E CB 1.759 31.422 29.700 -0.061 0.000 1.147 791 E HN 0.409 nan 8.360 nan 0.000 0.414 792 F N 1.279 121.215 119.950 -0.023 0.000 2.361 792 F HA 0.147 4.675 4.527 0.002 0.000 0.364 792 F C 1.658 177.447 175.800 -0.018 0.000 1.117 792 F CA -0.375 57.605 58.000 -0.034 0.000 1.071 792 F CB 1.464 40.442 39.000 -0.037 0.000 1.188 792 F HN 0.332 nan 8.300 nan 0.000 0.464 793 T N -0.889 113.726 114.554 0.101 0.000 3.014 793 T HA 0.257 4.608 4.350 0.002 0.000 0.250 793 T C 1.007 175.749 174.700 0.071 0.000 1.060 793 T CA 0.121 62.273 62.100 0.086 0.000 1.040 793 T CB -0.040 68.881 68.868 0.088 0.000 0.971 793 T HN 0.557 nan 8.240 nan 0.000 0.497 794 G N 1.225 110.053 108.800 0.046 0.000 2.539 794 G HA2 0.426 4.387 3.960 0.002 0.000 0.258 794 G HA3 0.426 4.387 3.960 0.002 0.000 0.258 794 G C -0.882 174.044 174.900 0.044 0.000 1.202 794 G CA -0.616 44.496 45.100 0.020 0.000 0.851 794 G HN 0.211 nan 8.290 nan 0.000 0.556 795 D N 0.007 120.427 120.400 0.034 0.000 2.487 795 D HA 0.078 4.720 4.640 0.002 0.000 0.243 795 D C 0.271 176.575 176.300 0.007 0.000 1.154 795 D CA 0.799 54.814 54.000 0.026 0.000 0.876 795 D CB 1.035 41.851 40.800 0.028 0.000 1.161 795 D HN 0.045 nan 8.370 nan 0.000 0.478 796 L N 1.545 122.761 121.223 -0.012 0.000 2.329 796 L HA 0.545 4.886 4.340 0.002 0.000 0.279 796 L C 0.855 177.693 176.870 -0.053 0.000 1.014 796 L CA -0.788 54.019 54.840 -0.055 0.000 0.814 796 L CB 2.002 43.995 42.059 -0.111 0.000 1.257 796 L HN 0.329 nan 8.230 nan 0.000 0.424 797 G N 4.182 112.946 108.800 -0.060 0.000 2.417 797 G HA2 0.687 4.648 3.960 0.002 0.000 0.320 797 G HA3 0.687 4.648 3.960 0.002 0.000 0.320 797 G C -0.974 173.881 174.900 -0.074 0.000 1.204 797 G CA -0.401 44.667 45.100 -0.054 0.000 0.923 797 G HN 0.364 nan 8.290 nan 0.000 0.466 798 L N 2.080 123.258 121.223 -0.075 0.000 2.354 798 L HA 0.675 5.016 4.340 0.002 0.000 0.269 798 L C 1.135 177.968 176.870 -0.061 0.000 1.005 798 L CA -1.034 53.756 54.840 -0.083 0.000 0.819 798 L CB 2.125 44.123 42.059 -0.102 0.000 1.311 798 L HN 0.659 nan 8.230 nan 0.000 0.423 799 G N -0.675 108.098 108.800 -0.045 0.000 2.928 799 G HA2 0.028 3.989 3.960 0.002 0.000 0.163 799 G HA3 0.028 3.989 3.960 0.002 0.000 0.163 799 G C -0.176 174.721 174.900 -0.006 0.000 1.573 799 G CA -0.250 44.841 45.100 -0.014 0.000 1.084 799 G HN 0.655 nan 8.290 nan 0.000 0.569 800 H N -0.083 118.958 119.070 -0.048 0.000 2.929 800 H HA 0.266 4.824 4.556 0.002 0.000 0.317 800 H C -0.818 174.481 175.328 -0.048 0.000 1.031 800 H CA 0.172 56.192 56.048 -0.046 0.000 1.466 800 H CB 0.375 30.113 29.762 -0.039 0.000 1.482 800 H HN -0.043 nan 8.280 nan 0.000 0.561 801 V N 5.804 125.463 119.914 -0.425 0.000 2.448 801 V HA 0.188 4.309 4.120 0.002 0.000 0.295 801 V C 0.098 176.035 176.094 -0.263 0.000 1.025 801 V CA -0.679 61.480 62.300 -0.235 0.000 0.859 801 V CB 1.952 33.668 31.823 -0.178 0.000 0.988 801 V HN 0.828 nan 8.190 nan 0.000 0.431 802 T N 5.950 120.460 114.554 -0.073 0.000 2.792 802 T HA 0.553 4.904 4.350 0.002 0.000 0.280 802 T C -0.322 174.363 174.700 -0.025 0.000 0.990 802 T CA -0.338 61.747 62.100 -0.026 0.000 0.960 802 T CB 1.047 69.951 68.868 0.061 0.000 0.939 802 T HN 0.313 nan 8.240 nan 0.000 0.439 803 I N 4.125 124.678 120.570 -0.028 0.000 2.297 803 I HA 0.299 4.470 4.170 0.002 0.000 0.291 803 I C 0.883 176.997 176.117 -0.004 0.000 1.033 803 I CA -0.554 60.735 61.300 -0.018 0.000 1.253 803 I CB 0.346 38.334 38.000 -0.019 0.000 1.396 803 I HN 0.416 nan 8.210 nan 0.000 0.476 804 R N 3.791 124.291 120.500 0.000 0.000 2.560 804 R HA 0.514 4.855 4.340 0.002 0.000 0.270 804 R C 0.121 176.424 176.300 0.005 0.000 1.074 804 R CA -0.610 55.493 56.100 0.005 0.000 1.140 804 R CB 0.898 31.202 30.300 0.006 0.000 1.073 804 R HN 0.688 nan 8.270 nan 0.000 0.527 805 A N 0.955 123.778 122.820 0.005 0.000 2.520 805 A HA 0.105 4.427 4.320 0.002 0.000 0.245 805 A C 0.971 178.558 177.584 0.005 0.000 1.072 805 A CA 0.542 52.582 52.037 0.005 0.000 0.761 805 A CB 0.071 19.074 19.000 0.005 0.000 1.004 805 A HN 0.884 nan 8.150 nan 0.000 0.499 806 S N 0.604 116.308 115.700 0.006 0.000 2.590 806 S HA 0.192 4.664 4.470 0.002 0.000 0.281 806 S C 0.391 174.995 174.600 0.006 0.000 1.068 806 S CA 0.604 58.808 58.200 0.006 0.000 1.193 806 S CB 0.189 63.393 63.200 0.008 0.000 1.040 806 S HN 0.687 nan 8.310 nan 0.000 0.544 807 T N 1.997 116.555 114.554 0.007 0.000 2.863 807 T HA 0.698 5.050 4.350 0.002 0.000 0.285 807 T C -0.523 174.181 174.700 0.006 0.000 1.009 807 T CA 0.183 62.288 62.100 0.007 0.000 0.989 807 T CB 1.450 70.324 68.868 0.009 0.000 1.004 807 T HN 0.604 nan 8.240 nan 0.000 0.455 808 S N 2.445 118.149 115.700 0.006 0.000 3.681 808 S HA -0.201 4.270 4.470 0.002 0.000 0.473 808 S C 0.674 175.276 174.600 0.005 0.000 0.830 808 S CA 0.677 58.880 58.200 0.006 0.000 1.355 808 S CB -1.697 61.507 63.200 0.006 0.000 0.892 808 S HN 1.275 nan 8.310 nan 0.000 0.649 809 S N 1.553 117.255 115.700 0.004 0.000 3.581 809 S HA -0.226 4.245 4.470 0.002 0.000 0.354 809 S C 0.518 175.120 174.600 0.003 0.000 1.059 809 S CA 1.072 59.273 58.200 0.003 0.000 1.060 809 S CB -1.431 61.770 63.200 0.003 0.000 0.908 809 S HN 1.202 nan 8.310 nan 0.000 0.475 810 N N -1.446 117.256 118.700 0.003 0.000 2.693 810 N HA -0.228 4.514 4.740 0.002 0.000 0.249 810 N C 0.532 176.044 175.510 0.004 0.000 1.119 810 N CA 1.117 54.169 53.050 0.003 0.000 0.717 810 N CB -1.515 36.973 38.487 0.003 0.000 1.071 810 N HN 0.775 nan 8.380 nan 0.000 0.555 811 I N -0.416 120.156 120.570 0.004 0.000 2.546 811 I HA -0.139 4.032 4.170 0.002 0.000 0.255 811 I C 1.110 177.229 176.117 0.004 0.000 1.163 811 I CA 0.938 62.240 61.300 0.003 0.000 1.457 811 I CB 0.235 38.237 38.000 0.003 0.000 1.092 811 I HN 0.263 nan 8.210 nan 0.000 0.434 812 R N -0.137 120.366 120.500 0.005 0.000 2.795 812 R HA 0.488 4.829 4.340 0.002 0.000 0.275 812 R C -0.629 175.675 176.300 0.006 0.000 0.981 812 R CA -0.656 55.447 56.100 0.005 0.000 0.917 812 R CB 1.216 31.519 30.300 0.006 0.000 1.202 812 R HN -0.002 nan 8.270 nan 0.000 0.469 813 S N 0.267 115.971 115.700 0.006 0.000 2.610 813 S HA 0.338 4.809 4.470 0.002 0.000 0.273 813 S C -0.369 174.235 174.600 0.006 0.000 1.274 813 S CA -0.731 57.472 58.200 0.005 0.000 1.023 813 S CB 1.350 64.552 63.200 0.003 0.000 0.962 813 S HN 0.758 nan 8.310 nan 0.000 0.523 814 E N 0.853 121.057 120.200 0.007 0.000 2.304 814 E HA 0.533 4.884 4.350 0.002 0.000 0.277 814 E C -2.035 174.570 176.600 0.009 0.000 0.898 814 E CA -0.802 55.603 56.400 0.009 0.000 0.764 814 E CB 1.846 31.553 29.700 0.010 0.000 1.216 814 E HN 0.535 nan 8.360 nan 0.000 0.419 815 V N 5.563 125.483 119.914 0.011 0.000 2.444 815 V HA 0.421 4.542 4.120 0.002 0.000 0.294 815 V C -0.370 175.734 176.094 0.017 0.000 1.022 815 V CA -0.660 61.647 62.300 0.012 0.000 0.850 815 V CB 1.382 33.210 31.823 0.008 0.000 0.992 815 V HN 0.641 nan 8.190 nan 0.000 0.426 816 L N 5.487 126.721 121.223 0.019 0.000 2.307 816 L HA 0.640 4.981 4.340 0.002 0.000 0.284 816 L C -0.300 176.585 176.870 0.025 0.000 1.023 816 L CA -0.424 54.429 54.840 0.022 0.000 0.810 816 L CB 1.814 43.887 42.059 0.023 0.000 1.231 816 L HN 0.482 nan 8.230 nan 0.000 0.423 817 M N 2.767 122.384 119.600 0.029 0.000 2.205 817 M HA 0.394 4.876 4.480 0.002 0.000 0.344 817 M C -0.279 176.038 176.300 0.028 0.000 1.085 817 M CA -0.378 54.940 55.300 0.029 0.000 1.001 817 M CB 2.102 34.725 32.600 0.038 0.000 1.626 817 M HN 0.593 nan 8.290 nan 0.000 0.442 818 E N 0.979 121.191 120.200 0.019 0.000 2.961 818 E HA 0.778 5.129 4.350 0.002 0.000 0.254 818 E C 0.304 176.902 176.600 -0.003 0.000 1.192 818 E CA -0.386 56.024 56.400 0.016 0.000 1.069 818 E CB 1.095 30.806 29.700 0.018 0.000 1.338 818 E HN 0.861 nan 8.360 nan 0.000 0.596 819 G N 0.649 109.446 108.800 -0.005 0.000 2.760 819 G HA2 -0.315 3.646 3.960 0.002 0.000 0.246 819 G HA3 -0.315 3.646 3.960 0.002 0.000 0.246 819 G C 0.481 175.383 174.900 0.002 0.000 1.359 819 G CA 0.243 45.325 45.100 -0.030 0.000 0.861 819 G HN 0.668 nan 8.290 nan 0.000 0.541 820 E N -1.026 119.178 120.200 0.007 0.000 2.072 820 E HA 0.023 4.374 4.350 0.002 0.000 0.191 820 E C 0.933 177.656 176.600 0.206 0.000 0.985 820 E CA 1.720 58.187 56.400 0.112 0.000 0.801 820 E CB -0.029 29.780 29.700 0.182 0.000 0.750 820 E HN 0.823 nan 8.360 nan 0.000 0.452 821 Y N -2.848 117.484 120.300 0.052 0.000 2.588 821 Y HA 0.683 5.234 4.550 0.002 0.000 0.343 821 Y C -0.204 175.748 175.900 0.087 0.000 1.065 821 Y CA -1.066 57.074 58.100 0.066 0.000 1.038 821 Y CB 1.014 39.515 38.460 0.069 0.000 1.297 821 Y HN -0.140 nan 8.280 nan 0.000 0.467 822 G N 1.039 109.965 108.800 0.209 0.000 2.410 822 G HA2 0.545 4.506 3.960 0.002 0.000 0.330 822 G HA3 0.545 4.506 3.960 0.002 0.000 0.330 822 G C -2.369 172.734 174.900 0.339 0.000 1.142 822 G CA -0.695 44.496 45.100 0.152 0.000 0.902 822 G HN 0.701 nan 8.290 nan 0.000 0.491 823 F N 1.748 121.758 119.950 0.100 0.000 2.536 823 F HA 0.646 5.174 4.527 0.001 0.000 0.322 823 F C -0.890 174.968 175.800 0.096 0.000 1.144 823 F CA -1.373 56.713 58.000 0.143 0.000 0.924 823 F CB 1.548 40.654 39.000 0.177 0.000 1.181 823 F HN 0.271 nan 8.300 nan 0.000 0.438 824 I N 6.242 126.487 120.570 -0.540 0.000 2.382 824 I HA 0.626 4.797 4.170 0.002 0.000 0.285 824 I C 0.256 175.901 176.117 -0.786 0.000 1.007 824 I CA -0.491 60.524 61.300 -0.476 0.000 1.142 824 I CB 1.289 39.222 38.000 -0.113 0.000 1.289 824 I HN 0.762 nan 8.210 nan 0.000 0.453 825 G N 4.363 112.713 108.800 -0.752 0.000 2.818 825 G HA2 0.686 4.647 3.960 0.002 0.000 0.286 825 G HA3 0.686 4.647 3.960 0.002 0.000 0.286 825 G C -1.549 173.258 174.900 -0.155 0.000 1.364 825 G CA -0.545 44.257 45.100 -0.497 0.000 0.938 825 G HN 0.372 nan 8.290 nan 0.000 0.490 826 K N 0.357 120.733 120.400 -0.039 0.000 2.502 826 K HA 0.519 4.841 4.320 0.002 0.000 0.254 826 K C 0.387 176.997 176.600 0.017 0.000 0.947 826 K CA -0.444 55.824 56.287 -0.032 0.000 0.834 826 K CB 1.240 33.710 32.500 -0.051 0.000 1.112 826 K HN 0.740 nan 8.250 nan 0.000 0.427 827 S N 3.993 119.699 115.700 0.009 0.000 2.566 827 S HA 0.203 4.675 4.470 0.002 0.000 0.280 827 S C 0.579 175.188 174.600 0.014 0.000 1.343 827 S CA -0.535 57.679 58.200 0.023 0.000 1.036 827 S CB 0.011 63.217 63.200 0.011 0.000 0.866 827 S HN 0.559 nan 8.310 nan 0.000 0.526 828 I N 3.080 123.664 120.570 0.022 0.000 2.581 828 I HA 0.174 4.345 4.170 0.002 0.000 0.285 828 I C -1.936 174.184 176.117 0.006 0.000 1.129 828 I CA -1.682 59.628 61.300 0.016 0.000 1.397 828 I CB -0.217 37.795 38.000 0.021 0.000 1.399 828 I HN 0.494 nan 8.210 nan 0.000 0.537 829 P HA 0.078 nan 4.420 nan 0.000 0.269 829 P C 0.508 177.807 177.300 -0.003 0.000 1.209 829 P CA -0.085 63.011 63.100 -0.008 0.000 0.776 829 P CB 0.681 32.373 31.700 -0.013 0.000 0.876 830 T N -0.470 114.081 114.554 -0.004 0.000 2.852 830 T HA -0.060 4.292 4.350 0.002 0.000 0.256 830 T C 0.963 175.662 174.700 -0.002 0.000 1.038 830 T CA 1.262 63.361 62.100 -0.002 0.000 1.141 830 T CB -0.326 68.540 68.868 -0.003 0.000 0.869 830 T HN 0.426 nan 8.240 nan 0.000 0.439 831 D N 0.768 121.166 120.400 -0.005 0.000 2.262 831 D HA 0.073 4.714 4.640 0.002 0.000 0.212 831 D C 0.803 177.102 176.300 -0.003 0.000 0.964 831 D CA 0.745 54.743 54.000 -0.004 0.000 0.875 831 D CB -0.039 40.758 40.800 -0.006 0.000 0.996 831 D HN 0.182 nan 8.370 nan 0.000 0.497 832 N N 0.579 119.276 118.700 -0.005 0.000 2.791 832 N HA 0.135 4.876 4.740 0.002 0.000 0.265 832 N C -2.112 173.396 175.510 -0.002 0.000 1.580 832 N CA -1.576 51.472 53.050 -0.003 0.000 0.809 832 N CB 1.401 39.885 38.487 -0.006 0.000 1.178 832 N HN -0.211 nan 8.380 nan 0.000 0.499 833 P HA -0.076 nan 4.420 nan 0.000 0.222 833 P C 0.896 178.205 177.300 0.014 0.000 1.147 833 P CA 0.622 63.726 63.100 0.007 0.000 0.790 833 P CB 0.267 31.973 31.700 0.011 0.000 0.780 834 A N 0.182 123.013 122.820 0.017 0.000 2.178 834 A HA 0.056 4.377 4.320 0.002 0.000 0.218 834 A C 2.250 179.855 177.584 0.036 0.000 1.157 834 A CA 1.482 53.537 52.037 0.029 0.000 0.689 834 A CB -1.451 17.565 19.000 0.026 0.000 0.787 834 A HN 0.334 nan 8.150 nan 0.000 0.465 835 G N -1.412 107.395 108.800 0.012 0.000 3.088 835 G HA2 0.167 4.128 3.960 0.002 0.000 0.217 835 G HA3 0.167 4.128 3.960 0.002 0.000 0.217 835 G C 0.563 175.435 174.900 -0.046 0.000 1.159 835 G CA 0.031 45.126 45.100 -0.009 0.000 0.760 835 G HN 0.575 nan 8.290 nan 0.000 0.550 836 Q N 1.414 121.199 119.800 -0.024 0.000 2.262 836 Q HA 0.180 4.521 4.340 0.002 0.000 0.298 836 Q C 0.291 176.236 176.000 -0.092 0.000 1.083 836 Q CA 0.344 56.122 55.803 -0.042 0.000 0.962 836 Q CB 0.144 28.880 28.738 -0.003 0.000 1.104 836 Q HN 0.608 nan 8.270 nan 0.000 0.376 837 R N 2.914 123.323 120.500 -0.153 0.000 2.765 837 R HA 0.463 4.804 4.340 0.002 0.000 0.277 837 R C -1.686 174.473 176.300 -0.234 0.000 1.028 837 R CA -0.867 55.086 56.100 -0.245 0.000 0.860 837 R CB 0.675 30.660 30.300 -0.525 0.000 1.270 837 R HN 0.479 nan 8.270 nan 0.000 0.484 838 I N 2.030 122.449 120.570 -0.251 0.000 2.465 838 I HA 0.418 4.589 4.170 0.002 0.000 0.291 838 I C -0.291 175.577 176.117 -0.415 0.000 1.014 838 I CA -1.128 59.945 61.300 -0.379 0.000 1.093 838 I CB 2.146 39.839 38.000 -0.512 0.000 1.267 838 I HN 0.422 nan 8.210 nan 0.000 0.431 839 I N 6.018 126.336 120.570 -0.421 0.000 2.304 839 I HA 0.298 4.469 4.170 0.002 0.000 0.291 839 I C -0.805 175.086 176.117 -0.378 0.000 1.018 839 I CA -0.283 60.851 61.300 -0.277 0.000 1.260 839 I CB 0.605 38.501 38.000 -0.173 0.000 1.390 839 I HN 0.308 nan 8.210 nan 0.000 0.475 840 F N 5.620 125.536 119.950 -0.056 0.000 2.420 840 F HA 0.484 5.012 4.527 0.002 0.000 0.342 840 F C 0.243 176.030 175.800 -0.021 0.000 1.113 840 F CA -0.533 57.444 58.000 -0.038 0.000 1.059 840 F CB 1.419 40.401 39.000 -0.030 0.000 1.128 840 F HN 0.379 nan 8.300 nan 0.000 0.475 841 C N 2.224 121.601 119.300 0.128 0.000 2.609 841 C HA 0.620 5.082 4.460 0.002 0.000 0.313 841 C C 1.278 176.304 174.990 0.061 0.000 1.175 841 C CA -0.409 58.653 59.018 0.073 0.000 1.434 841 C CB 0.765 28.521 27.740 0.027 0.000 2.005 841 C HN 1.036 nan 8.230 nan 0.000 0.471 842 G N 2.881 111.711 108.800 0.050 0.000 2.848 842 G HA2 0.404 4.366 3.960 0.002 0.000 0.208 842 G HA3 0.404 4.366 3.960 0.002 0.000 0.208 842 G C 0.639 175.552 174.900 0.021 0.000 1.152 842 G CA 0.846 45.965 45.100 0.032 0.000 0.789 842 G HN 1.156 nan 8.290 nan 0.000 0.531 843 G N -0.552 108.260 108.800 0.020 0.000 3.013 843 G HA2 0.463 4.424 3.960 0.002 0.000 0.278 843 G HA3 0.463 4.424 3.960 0.002 0.000 0.278 843 G C 0.714 175.620 174.900 0.011 0.000 1.353 843 G CA 0.108 45.216 45.100 0.013 0.000 1.043 843 G HN 0.054 nan 8.290 nan 0.000 0.523 844 E N -0.710 119.495 120.200 0.010 0.000 2.371 844 E HA 0.138 4.490 4.350 0.002 0.000 0.194 844 E C 0.892 177.498 176.600 0.009 0.000 1.012 844 E CA 0.627 57.033 56.400 0.011 0.000 0.860 844 E CB 0.293 30.000 29.700 0.011 0.000 0.811 844 E HN 0.495 nan 8.360 nan 0.000 0.502 845 G N 0.492 109.294 108.800 0.005 0.000 2.714 845 G HA2 0.319 4.280 3.960 0.002 0.000 0.292 845 G HA3 0.319 4.280 3.960 0.002 0.000 0.292 845 G C 0.633 175.530 174.900 -0.006 0.000 1.308 845 G CA 0.088 45.189 45.100 0.001 0.000 0.964 845 G HN 0.029 nan 8.290 nan 0.000 0.484 846 T N -2.332 112.215 114.554 -0.013 0.000 2.915 846 T HA 0.010 4.361 4.350 0.002 0.000 0.269 846 T C 1.599 176.293 174.700 -0.010 0.000 1.071 846 T CA 1.181 63.268 62.100 -0.021 0.000 1.132 846 T CB -0.179 68.671 68.868 -0.031 0.000 0.878 846 T HN 0.609 nan 8.240 nan 0.000 0.479 847 S N 1.883 117.581 115.700 -0.003 0.000 2.537 847 S HA 0.187 4.658 4.470 0.002 0.000 0.286 847 S C 1.568 176.174 174.600 0.010 0.000 1.299 847 S CA -0.015 58.188 58.200 0.005 0.000 1.067 847 S CB 0.494 63.697 63.200 0.005 0.000 0.864 847 S HN 0.613 nan 8.310 nan 0.000 0.494 848 S N 3.096 118.807 115.700 0.018 0.000 2.507 848 S HA -0.110 4.361 4.470 0.002 0.000 0.235 848 S C 1.805 176.418 174.600 0.020 0.000 0.988 848 S CA 1.099 59.314 58.200 0.026 0.000 0.944 848 S CB -1.075 62.149 63.200 0.039 0.000 0.762 848 S HN 0.954 nan 8.310 nan 0.000 0.526 849 T N 0.204 114.767 114.554 0.016 0.000 2.929 849 T HA -0.132 4.220 4.350 0.002 0.000 0.271 849 T C 1.924 176.630 174.700 0.009 0.000 1.085 849 T CA 1.647 63.755 62.100 0.012 0.000 1.125 849 T CB -1.313 67.561 68.868 0.010 0.000 0.874 849 T HN 0.684 nan 8.240 nan 0.000 0.494 850 T N -1.710 112.850 114.554 0.009 0.000 3.067 850 T HA 0.488 4.839 4.350 0.002 0.000 0.261 850 T C 0.967 175.673 174.700 0.009 0.000 1.110 850 T CA 0.331 62.436 62.100 0.008 0.000 1.113 850 T CB -0.183 68.689 68.868 0.007 0.000 0.917 850 T HN 0.826 nan 8.240 nan 0.000 0.499 851 G N -0.053 108.755 108.800 0.012 0.000 2.368 851 G HA2 0.538 4.499 3.960 0.002 0.000 0.293 851 G HA3 0.538 4.499 3.960 0.002 0.000 0.293 851 G C -1.093 173.820 174.900 0.021 0.000 1.467 851 G CA -0.601 44.508 45.100 0.014 0.000 0.804 851 G HN 0.487 nan 8.290 nan 0.000 0.535 852 A N -0.174 122.658 122.820 0.019 0.000 2.498 852 A HA 0.596 4.917 4.320 0.002 0.000 0.239 852 A C 0.347 177.969 177.584 0.064 0.000 1.068 852 A CA 0.500 52.556 52.037 0.032 0.000 0.766 852 A CB 0.194 19.202 19.000 0.013 0.000 1.003 852 A HN 0.643 nan 8.150 nan 0.000 0.497 853 Q N 0.631 120.487 119.800 0.092 0.000 2.372 853 Q HA 0.642 4.983 4.340 0.002 0.000 0.273 853 Q C -1.417 174.669 176.000 0.143 0.000 1.078 853 Q CA -0.422 55.447 55.803 0.110 0.000 0.806 853 Q CB 2.553 31.340 28.738 0.082 0.000 1.332 853 Q HN 0.717 nan 8.270 nan 0.000 0.435 854 I N 1.396 122.057 120.570 0.152 0.000 2.436 854 I HA 0.361 4.532 4.170 0.002 0.000 0.289 854 I C -0.679 175.532 176.117 0.156 0.000 1.010 854 I CA -0.505 60.856 61.300 0.102 0.000 1.098 854 I CB 2.230 40.267 38.000 0.062 0.000 1.266 854 I HN 0.463 nan 8.210 nan 0.000 0.434 855 T N 7.184 121.778 114.554 0.067 0.000 2.786 855 T HA 0.520 4.871 4.350 0.002 0.000 0.283 855 T C -0.226 174.528 174.700 0.091 0.000 0.992 855 T CA -0.461 61.671 62.100 0.054 0.000 0.954 855 T CB 0.902 69.762 68.868 -0.014 0.000 0.934 855 T HN 0.271 nan 8.240 nan 0.000 0.440 856 L N 4.173 125.455 121.223 0.098 0.000 2.257 856 L HA 0.456 4.797 4.340 0.002 0.000 0.290 856 L C -0.563 176.350 176.870 0.072 0.000 1.044 856 L CA -0.946 53.975 54.840 0.135 0.000 0.810 856 L CB 0.371 42.535 42.059 0.175 0.000 1.193 856 L HN 0.642 nan 8.230 nan 0.000 0.425 857 Y N 1.329 121.629 120.300 0.000 0.000 2.304 857 Y HA 0.380 4.931 4.550 0.002 0.000 0.328 857 Y C 1.250 177.157 175.900 0.012 0.000 1.123 857 Y CA -0.446 57.654 58.100 -0.001 0.000 1.218 857 Y CB 1.405 39.861 38.460 -0.007 0.000 1.207 857 Y HN 0.637 nan 8.280 nan 0.000 0.495 858 G N 0.608 109.481 108.800 0.121 0.000 2.634 858 G HA2 0.315 4.276 3.960 0.002 0.000 0.255 858 G HA3 0.315 4.276 3.960 0.002 0.000 0.255 858 G C 0.779 175.738 174.900 0.098 0.000 1.205 858 G CA -0.111 45.043 45.100 0.090 0.000 0.884 858 G HN 0.877 nan 8.290 nan 0.000 0.549 859 A N 0.365 123.229 122.820 0.074 0.000 2.019 859 A HA -0.087 4.234 4.320 0.002 0.000 0.219 859 A C 2.094 179.709 177.584 0.051 0.000 1.164 859 A CA 1.367 53.438 52.037 0.058 0.000 0.644 859 A CB -0.254 18.773 19.000 0.046 0.000 0.805 859 A HN 0.618 nan 8.150 nan 0.000 0.449 860 N N 0.347 119.077 118.700 0.050 0.000 2.457 860 N HA -0.062 4.679 4.740 0.002 0.000 0.180 860 N C 0.411 175.950 175.510 0.049 0.000 1.050 860 N CA 0.049 53.124 53.050 0.041 0.000 0.906 860 N CB -0.248 38.258 38.487 0.032 0.000 0.968 860 N HN 0.468 nan 8.380 nan 0.000 0.445 861 N N 1.414 120.159 118.700 0.075 0.000 2.441 861 N HA -0.023 4.718 4.740 0.002 0.000 0.251 861 N C 0.836 176.397 175.510 0.086 0.000 1.242 861 N CA 0.408 53.521 53.050 0.106 0.000 0.898 861 N CB 1.028 39.644 38.487 0.216 0.000 1.100 861 N HN -0.010 nan 8.380 nan 0.000 0.443 862 T N 0.863 115.464 114.554 0.079 0.000 2.685 862 T HA -0.157 4.194 4.350 0.002 0.000 0.268 862 T C -0.040 174.676 174.700 0.027 0.000 1.034 862 T CA 1.246 63.374 62.100 0.048 0.000 1.149 862 T CB -0.110 68.785 68.868 0.045 0.000 0.860 862 T HN 0.527 nan 8.240 nan 0.000 0.449 863 D N 2.211 122.630 120.400 0.031 0.000 2.524 863 D HA 0.260 4.901 4.640 0.002 0.000 0.222 863 D C -0.405 175.873 176.300 -0.037 0.000 1.142 863 D CA 0.027 53.985 54.000 -0.069 0.000 0.973 863 D CB 0.641 41.291 40.800 -0.250 0.000 1.025 863 D HN 0.115 nan 8.370 nan 0.000 0.519 864 S N 1.700 117.399 115.700 -0.002 0.000 2.515 864 S HA -0.035 4.436 4.470 0.002 0.000 0.285 864 S C 0.978 175.590 174.600 0.019 0.000 1.265 864 S CA -0.083 58.135 58.200 0.030 0.000 1.079 864 S CB 0.035 63.248 63.200 0.021 0.000 0.877 864 S HN 0.455 nan 8.310 nan 0.000 0.493 865 R N 0.787 121.327 120.500 0.067 0.000 3.758 865 R HA -0.191 4.150 4.340 0.002 0.000 0.299 865 R C 0.242 176.558 176.300 0.026 0.000 1.182 865 R CA 0.840 56.980 56.100 0.066 0.000 0.809 865 R CB -1.693 28.631 30.300 0.041 0.000 1.249 865 R HN 0.746 nan 8.270 nan 0.000 0.497 866 R N 1.491 121.962 120.500 -0.048 0.000 2.643 866 R HA 0.322 4.663 4.340 0.002 0.000 0.270 866 R C -0.106 176.165 176.300 -0.048 0.000 1.061 866 R CA 0.164 56.138 56.100 -0.211 0.000 1.107 866 R CB 0.517 30.405 30.300 -0.688 0.000 0.999 866 R HN 0.196 nan 8.270 nan 0.000 0.460 867 I N 4.092 124.622 120.570 -0.066 0.000 2.465 867 I HA 0.270 4.441 4.170 0.002 0.000 0.291 867 I C -0.836 175.176 176.117 -0.175 0.000 1.014 867 I CA -1.138 60.099 61.300 -0.106 0.000 1.093 867 I CB 2.212 40.066 38.000 -0.243 0.000 1.267 867 I HN 0.308 nan 8.210 nan 0.000 0.431 868 V N 6.673 126.514 119.914 -0.122 0.000 2.409 868 V HA 0.348 4.470 4.120 0.002 0.000 0.291 868 V C -0.987 175.037 176.094 -0.118 0.000 1.020 868 V CA -0.600 61.680 62.300 -0.033 0.000 0.848 868 V CB 1.180 33.077 31.823 0.123 0.000 0.990 868 V HN 0.424 nan 8.190 nan 0.000 0.430 869 Y N 3.514 123.889 120.300 0.124 0.000 2.353 869 Y HA 0.523 5.074 4.550 0.002 0.000 0.340 869 Y C 0.472 176.546 175.900 0.290 0.000 0.972 869 Y CA -0.533 57.667 58.100 0.167 0.000 1.157 869 Y CB 1.088 39.576 38.460 0.047 0.000 1.157 869 Y HN 0.581 nan 8.280 nan 0.000 0.495 870 N N 2.543 121.484 118.700 0.401 0.000 2.623 870 N HA 0.543 5.285 4.740 0.002 0.000 0.256 870 N C -0.796 174.807 175.510 0.156 0.000 1.045 870 N CA -0.229 52.993 53.050 0.286 0.000 0.863 870 N CB 1.154 39.745 38.487 0.172 0.000 1.182 870 N HN 0.883 nan 8.380 nan 0.000 0.523 871 G N 0.714 109.510 108.800 -0.006 0.000 2.695 871 G HA2 0.248 4.209 3.960 0.002 0.000 0.290 871 G HA3 0.248 4.209 3.960 0.002 0.000 0.290 871 G C -0.382 174.379 174.900 -0.232 0.000 1.410 871 G CA -0.505 44.485 45.100 -0.182 0.000 0.844 871 G HN 0.321 nan 8.290 nan 0.000 0.478 872 D N -0.290 120.016 120.400 -0.156 0.000 2.349 872 D HA 0.140 4.781 4.640 0.002 0.000 0.215 872 D C 0.312 176.533 176.300 -0.130 0.000 1.016 872 D CA 0.880 54.817 54.000 -0.105 0.000 0.870 872 D CB 0.762 41.530 40.800 -0.053 0.000 0.917 872 D HN 0.492 nan 8.370 nan 0.000 0.524 873 E N -0.217 119.853 120.200 -0.216 0.000 2.308 873 E HA 0.239 4.590 4.350 0.002 0.000 0.275 873 E C -0.859 175.552 176.600 -0.315 0.000 0.890 873 E CA -0.623 55.668 56.400 -0.181 0.000 0.754 873 E CB 2.038 31.679 29.700 -0.098 0.000 1.207 873 E HN 0.045 nan 8.360 nan 0.000 0.426 874 H N 2.989 122.061 119.070 0.004 0.000 2.718 874 H HA 0.334 4.891 4.556 0.002 0.000 0.295 874 H C -0.787 174.498 175.328 -0.072 0.000 1.051 874 H CA -0.372 55.648 56.048 -0.046 0.000 1.260 874 H CB 0.566 30.369 29.762 0.070 0.000 1.403 874 H HN 0.292 nan 8.280 nan 0.000 0.488 875 L N 4.312 125.469 121.223 -0.109 0.000 2.294 875 L HA 0.321 4.663 4.340 0.002 0.000 0.283 875 L C -0.467 176.275 176.870 -0.213 0.000 1.015 875 L CA -0.633 54.160 54.840 -0.079 0.000 0.831 875 L CB 0.809 42.832 42.059 -0.059 0.000 1.217 875 L HN 0.338 nan 8.230 nan 0.000 0.420 876 F N 2.430 122.380 119.950 0.001 0.000 2.375 876 F HA 0.324 4.852 4.527 0.002 0.000 0.362 876 F C 0.626 176.419 175.800 -0.012 0.000 1.129 876 F CA -0.105 57.888 58.000 -0.012 0.000 1.154 876 F CB 1.048 40.029 39.000 -0.031 0.000 1.205 876 F HN 0.487 nan 8.300 nan 0.000 0.513 877 Q N 1.577 121.433 119.800 0.093 0.000 2.235 877 Q HA 0.381 4.723 4.340 0.002 0.000 0.256 877 Q C 0.555 176.593 176.000 0.063 0.000 0.951 877 Q CA -0.136 55.700 55.803 0.056 0.000 0.890 877 Q CB 1.452 30.197 28.738 0.011 0.000 1.279 877 Q HN 0.821 nan 8.270 nan 0.000 0.444 878 S N -0.581 115.146 115.700 0.045 0.000 2.691 878 S HA -0.226 4.246 4.470 0.002 0.000 0.262 878 S C -0.565 174.055 174.600 0.034 0.000 1.284 878 S CA 0.954 59.173 58.200 0.033 0.000 1.372 878 S CB -1.403 61.814 63.200 0.028 0.000 1.693 878 S HN 0.977 nan 8.310 nan 0.000 0.647 879 A N 0.334 123.182 122.820 0.046 0.000 2.605 879 A HA 0.592 4.914 4.320 0.002 0.000 0.294 879 A C -1.403 176.194 177.584 0.022 0.000 1.062 879 A CA -0.724 51.332 52.037 0.031 0.000 0.682 879 A CB 0.819 19.840 19.000 0.035 0.000 1.278 879 A HN 0.074 nan 8.150 nan 0.000 0.410 880 D N 0.513 120.909 120.400 -0.008 0.000 2.449 880 D HA 0.264 4.906 4.640 0.002 0.000 0.236 880 D C 0.022 176.277 176.300 -0.075 0.000 1.149 880 D CA 0.427 54.404 54.000 -0.039 0.000 0.878 880 D CB 0.868 41.641 40.800 -0.044 0.000 1.198 880 D HN 0.190 nan 8.370 nan 0.000 0.446 881 V N 3.163 122.991 119.914 -0.143 0.000 2.353 881 V HA 0.142 4.263 4.120 0.002 0.000 0.264 881 V C 0.555 176.541 176.094 -0.181 0.000 1.049 881 V CA -0.033 62.110 62.300 -0.261 0.000 0.896 881 V CB 0.182 31.732 31.823 -0.455 0.000 1.025 881 V HN 0.290 nan 8.190 nan 0.000 0.475 882 K N 5.501 125.820 120.400 -0.134 0.000 2.318 882 K HA 0.644 4.966 4.320 0.002 0.000 0.249 882 K C -2.399 174.169 176.600 -0.053 0.000 0.942 882 K CA -1.599 54.638 56.287 -0.084 0.000 0.808 882 K CB 2.135 34.596 32.500 -0.066 0.000 1.189 882 K HN 0.472 nan 8.250 nan 0.000 0.428 883 P HA 0.048 nan 4.420 nan 0.000 0.277 883 P C -0.066 177.267 177.300 0.055 0.000 1.240 883 P CA -0.288 62.825 63.100 0.023 0.000 0.798 883 P CB 0.583 32.294 31.700 0.019 0.000 0.979 884 Y N 1.614 121.905 120.300 -0.014 0.000 2.200 884 Y HA -0.111 4.440 4.550 0.002 0.000 0.290 884 Y C 0.922 176.818 175.900 -0.007 0.000 1.137 884 Y CA 1.378 59.474 58.100 -0.007 0.000 1.163 884 Y CB 0.294 38.755 38.460 0.002 0.000 0.988 884 Y HN 0.316 nan 8.280 nan 0.000 0.518 885 N N 0.350 119.161 118.700 0.186 0.000 2.483 885 N HA 0.089 4.830 4.740 0.002 0.000 0.285 885 N C -1.523 174.008 175.510 0.034 0.000 1.210 885 N CA -0.457 52.655 53.050 0.103 0.000 0.931 885 N CB 1.080 39.654 38.487 0.147 0.000 1.220 885 N HN 0.051 nan 8.380 nan 0.000 0.542 886 D N 0.140 120.550 120.400 0.017 0.000 2.317 886 D HA 0.167 4.808 4.640 0.002 0.000 0.234 886 D C -0.210 176.095 176.300 0.009 0.000 1.112 886 D CA -0.027 53.974 54.000 0.001 0.000 0.840 886 D CB 0.056 40.850 40.800 -0.010 0.000 1.078 886 D HN 0.451 nan 8.370 nan 0.000 0.486 887 N N 2.832 121.535 118.700 0.006 0.000 2.740 887 N HA -0.195 4.546 4.740 0.002 0.000 0.248 887 N C 0.291 175.808 175.510 0.012 0.000 1.062 887 N CA 1.254 54.307 53.050 0.006 0.000 0.704 887 N CB -0.980 37.508 38.487 0.003 0.000 0.968 887 N HN 0.288 nan 8.380 nan 0.000 0.547 888 V N -5.318 114.607 119.914 0.019 0.000 3.431 888 V HA 0.413 4.534 4.120 0.002 0.000 0.255 888 V C 0.921 177.028 176.094 0.021 0.000 1.403 888 V CA 0.935 63.248 62.300 0.021 0.000 1.101 888 V CB 0.595 32.435 31.823 0.029 0.000 0.891 888 V HN 0.473 nan 8.190 nan 0.000 0.446 889 T N -0.576 113.993 114.554 0.024 0.000 2.932 889 T HA 0.901 5.253 4.350 0.002 0.000 0.289 889 T C -0.259 174.454 174.700 0.021 0.000 1.039 889 T CA 0.063 62.177 62.100 0.023 0.000 1.024 889 T CB 2.181 71.067 68.868 0.030 0.000 1.090 889 T HN 0.972 nan 8.240 nan 0.000 0.496 890 A N 1.612 124.447 122.820 0.025 0.000 2.288 890 A HA 0.794 5.116 4.320 0.002 0.000 0.328 890 A C -0.439 177.177 177.584 0.053 0.000 1.123 890 A CA -1.121 50.935 52.037 0.031 0.000 0.861 890 A CB 0.774 19.791 19.000 0.029 0.000 1.272 890 A HN 0.904 nan 8.150 nan 0.000 0.490 891 L N 1.907 123.176 121.223 0.077 0.000 2.260 891 L HA 0.539 4.880 4.340 0.002 0.000 0.289 891 L C 1.034 178.034 176.870 0.217 0.000 1.057 891 L CA 0.802 55.744 54.840 0.170 0.000 0.811 891 L CB 0.344 42.478 42.059 0.125 0.000 1.184 891 L HN 1.320 nan 8.230 nan 0.000 0.429 892 G N 2.768 111.681 108.800 0.188 0.000 2.741 892 G HA2 0.121 4.082 3.960 0.002 0.000 0.222 892 G HA3 0.121 4.082 3.960 0.002 0.000 0.222 892 G C -0.253 174.631 174.900 -0.027 0.000 1.364 892 G CA -0.464 44.620 45.100 -0.028 0.000 0.866 892 G HN 1.066 nan 8.290 nan 0.000 0.555 893 G N -2.459 106.303 108.800 -0.063 0.000 2.608 893 G HA2 0.751 4.712 3.960 0.002 0.000 0.291 893 G HA3 0.751 4.712 3.960 0.002 0.000 0.291 893 G C -2.008 172.867 174.900 -0.041 0.000 1.425 893 G CA 0.337 45.413 45.100 -0.039 0.000 0.787 893 G HN 0.597 nan 8.290 nan 0.000 0.484 894 P HA 0.020 nan 4.420 nan 0.000 0.219 894 P C 1.404 178.685 177.300 -0.031 0.000 1.146 894 P CA 1.314 64.400 63.100 -0.023 0.000 0.808 894 P CB 0.369 32.059 31.700 -0.016 0.000 0.779 895 S N -1.857 113.818 115.700 -0.040 0.000 2.554 895 S HA 0.176 4.648 4.470 0.002 0.000 0.226 895 S C 0.522 175.082 174.600 -0.067 0.000 0.980 895 S CA -0.187 57.987 58.200 -0.044 0.000 0.939 895 S CB -0.289 62.889 63.200 -0.036 0.000 0.832 895 S HN 0.180 nan 8.310 nan 0.000 0.486 896 N N 2.122 120.765 118.700 -0.094 0.000 2.703 896 N HA 0.196 4.937 4.740 0.002 0.000 0.283 896 N C -1.087 174.284 175.510 -0.231 0.000 1.851 896 N CA -0.154 52.799 53.050 -0.161 0.000 0.826 896 N CB 1.024 39.408 38.487 -0.171 0.000 1.239 896 N HN 0.166 nan 8.380 nan 0.000 0.495 897 R N 0.247 120.651 120.500 -0.160 0.000 2.390 897 R HA 0.321 4.662 4.340 0.002 0.000 0.291 897 R C -0.146 176.053 176.300 -0.168 0.000 1.070 897 R CA -0.192 55.837 56.100 -0.120 0.000 1.014 897 R CB 0.755 31.038 30.300 -0.029 0.000 1.007 897 R HN 0.083 nan 8.270 nan 0.000 0.466 898 F N 0.548 120.504 119.950 0.011 0.000 2.418 898 F HA 0.012 4.540 4.527 0.002 0.000 0.341 898 F C 2.113 177.923 175.800 0.018 0.000 1.120 898 F CA 0.041 58.054 58.000 0.022 0.000 1.232 898 F CB 0.961 39.973 39.000 0.020 0.000 1.175 898 F HN 0.643 nan 8.300 nan 0.000 0.569 899 T N -2.303 112.392 114.554 0.235 0.000 2.746 899 T HA -0.033 4.318 4.350 0.002 0.000 0.267 899 T C 0.787 175.536 174.700 0.083 0.000 1.039 899 T CA 1.566 63.744 62.100 0.130 0.000 1.142 899 T CB -0.209 68.736 68.868 0.129 0.000 0.866 899 T HN 0.650 nan 8.240 nan 0.000 0.444 900 T N -0.594 114.010 114.554 0.083 0.000 2.658 900 T HA 0.573 4.924 4.350 0.002 0.000 0.305 900 T C -2.304 172.366 174.700 -0.050 0.000 1.551 900 T CA -0.291 61.786 62.100 -0.039 0.000 0.985 900 T CB 1.105 69.851 68.868 -0.203 0.000 1.731 900 T HN 0.646 nan 8.240 nan 0.000 0.486 901 A N 1.404 124.142 122.820 -0.138 0.000 2.343 901 A HA 0.739 5.061 4.320 0.002 0.000 0.308 901 A C -1.773 175.711 177.584 -0.167 0.000 1.092 901 A CA -0.440 51.532 52.037 -0.108 0.000 0.751 901 A CB 0.593 19.537 19.000 -0.094 0.000 1.203 901 A HN 0.691 nan 8.150 nan 0.000 0.452 902 Y N 2.479 122.750 120.300 -0.049 0.000 2.425 902 Y HA 0.531 5.082 4.550 0.002 0.000 0.347 902 Y C 0.078 175.955 175.900 -0.037 0.000 0.976 902 Y CA 0.152 58.233 58.100 -0.032 0.000 1.190 902 Y CB 0.820 39.266 38.460 -0.023 0.000 1.136 902 Y HN 0.499 nan 8.280 nan 0.000 0.517 903 L N 1.378 122.643 121.223 0.069 0.000 2.370 903 L HA 0.523 4.864 4.340 0.002 0.000 0.266 903 L C 1.135 178.023 176.870 0.030 0.000 1.002 903 L CA -0.794 54.064 54.840 0.029 0.000 0.818 903 L CB 2.267 44.321 42.059 -0.009 0.000 1.325 903 L HN 0.741 nan 8.230 nan 0.000 0.418 904 G N 0.246 109.058 108.800 0.020 0.000 2.712 904 G HA2 0.091 4.052 3.960 0.002 0.000 0.212 904 G HA3 0.091 4.052 3.960 0.002 0.000 0.212 904 G C 0.363 175.266 174.900 0.005 0.000 1.142 904 G CA 0.748 45.857 45.100 0.015 0.000 0.789 904 G HN 0.596 nan 8.290 nan 0.000 0.535 905 S N -0.977 114.722 115.700 -0.001 0.000 2.588 905 S HA 0.396 4.867 4.470 0.002 0.000 0.269 905 S C -0.978 173.614 174.600 -0.012 0.000 1.157 905 S CA -1.060 57.136 58.200 -0.006 0.000 0.824 905 S CB 1.349 64.545 63.200 -0.007 0.000 1.126 905 S HN 0.021 nan 8.310 nan 0.000 0.464 906 N N 1.708 120.399 118.700 -0.014 0.000 2.416 906 N HA 0.276 5.017 4.740 0.002 0.000 0.246 906 N C -2.467 173.032 175.510 -0.019 0.000 1.260 906 N CA -0.379 52.661 53.050 -0.018 0.000 0.897 906 N CB -0.358 38.120 38.487 -0.016 0.000 1.110 906 N HN 0.491 nan 8.380 nan 0.000 0.439 907 P HA 0.100 nan 4.420 nan 0.000 0.267 907 P C -0.262 177.027 177.300 -0.018 0.000 1.200 907 P CA 0.271 63.358 63.100 -0.022 0.000 0.772 907 P CB 0.487 32.174 31.700 -0.022 0.000 0.855 908 I N 2.552 123.111 120.570 -0.018 0.000 2.287 908 I HA 0.137 4.308 4.170 0.002 0.000 0.290 908 I C -0.240 175.868 176.117 -0.015 0.000 1.069 908 I CA -0.446 60.845 61.300 -0.016 0.000 1.237 908 I CB 0.593 38.584 38.000 -0.016 0.000 1.418 908 I HN -0.032 nan 8.210 nan 0.000 0.481 909 V N 5.558 125.464 119.914 -0.012 0.000 2.435 909 V HA 0.287 4.409 4.120 0.002 0.000 0.290 909 V C 0.694 176.782 176.094 -0.009 0.000 1.030 909 V CA -0.533 61.760 62.300 -0.011 0.000 0.881 909 V CB 1.631 33.448 31.823 -0.010 0.000 0.983 909 V HN 0.691 nan 8.190 nan 0.000 0.445 910 T N 0.000 114.549 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.351 4.350 0.002 0.000 0.228 910 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 910 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658