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 1ile_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFKEVGEPNF PKLEEEVLAF WKREKIFQKS VENRKGGPRY TVYEGPPTAN DATA SEQUENCE GLPHVGHAQA RSYKDLFPRY KTMRGYYAPR RAGWDTHGLP VELEVEKKLG DATA SEQUENCE LKSKREIEAY GIERFNQACR ESVFTYEKEW EAFTERIAYW VDLEDAYATL DATA SEQUENCE EPTYIESIWW SLKNLFDRGL LYRDHKVVPY cPRcGTPLSS HEVALGYKEI DATA SEQUENCE QDPSVYVRFP LKEPKKLGLE KASLLIWTTT PWTLPGNVAA AVHPEYTYAA DATA SEQUENCE FQVGDEALIL EEGLGRKLLG EGTQVLKTFP GKALEGLPYT PPYPQALEKG DATA SEQUENCE YFVVLADYVS QEDGTGIVHQ APAFGAEDLE TARVYGLPLL KTVDEEGKLL DATA SEQUENCE VEPFKGLYFR EANRAILRDL RGRGLLFKEE SYLHSYPHcW RcSTPLMYYA DATA SEQUENCE TESWFIKNTL FKDELIRNNQ EIHWVPPHIK EGRYGEWLKN LVDWALSRNR DATA SEQUENCE YWGTPLPIWV cQAcGKEEAI GSFQELKARA TKPLPEPFDP HRPYVDQVEL DATA SEQUENCE AcAcGGTMRR VPYVIDVWYD SGAMPFASLH YPFEHEEVFR ESFPADFIAE DATA SEQUENCE GIDQTRGWFN SLHQLGVMLF GSIAFKNVIC HGLILDEKGQ KMSKSKGNVV DATA SEQUENCE DPWDIIRKFG ADALRWYIYV SAPPEADRRF GPNLVRETVR DYFLTLWNVY DATA SEQUENCE SFFVTYANLD RPDLKNPPPP EKRPEMDRWL LARMQDLIQR VTEALEAYDP DATA SEQUENCE TTSARALRDF VVEDLSQWYV RRNRRRFWKN EDALDREAAY ATLYEALVLV DATA SEQUENCE ATLAAPFTPF LAEVLWQNLV RSVRLEAKES VHLADWPEAD PALADEALVA DATA SEQUENCE QMRAVLKVVD LARAARAKSG V 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.106 176.300 -0.323 0.000 1.140 1 M CA 0.000 55.061 55.300 -0.399 0.000 0.988 1 M CB 0.000 32.232 32.600 -0.613 0.000 1.302 2 F N 2.494 122.429 119.950 -0.025 0.000 2.373 2 F HA 0.445 4.974 4.527 0.004 0.000 0.302 2 F C 0.488 176.279 175.800 -0.013 0.000 1.247 2 F CA 0.019 58.024 58.000 0.009 0.000 1.169 2 F CB 0.074 39.097 39.000 0.038 0.000 1.309 2 F HN 0.130 nan 8.300 nan 0.000 0.537 3 K N -0.400 120.132 120.400 0.219 0.000 2.288 3 K HA 0.218 4.541 4.320 0.004 0.000 0.234 3 K C -0.334 176.296 176.600 0.050 0.000 1.037 3 K CA -1.030 55.317 56.287 0.101 0.000 0.914 3 K CB 0.798 33.354 32.500 0.094 0.000 1.197 3 K HN 0.512 nan 8.250 nan 0.000 0.471 4 E N 1.286 121.502 120.200 0.027 0.000 2.415 4 E HA -0.047 4.306 4.350 0.004 0.000 0.262 4 E C 0.491 177.084 176.600 -0.011 0.000 1.038 4 E CA 0.035 56.436 56.400 0.002 0.000 0.921 4 E CB 1.021 30.731 29.700 0.017 0.000 0.950 4 E HN 0.477 nan 8.360 nan 0.000 0.438 5 V N 2.196 122.074 119.914 -0.060 0.000 2.436 5 V HA 0.296 4.419 4.120 0.004 0.000 0.240 5 V C 1.291 177.445 176.094 0.101 0.000 1.040 5 V CA 0.950 63.194 62.300 -0.094 0.000 1.052 5 V CB -1.473 30.171 31.823 -0.298 0.000 0.707 5 V HN 1.016 nan 8.190 nan 0.000 0.469 6 G N 1.018 109.873 108.800 0.091 0.000 2.741 6 G HA2 -0.150 3.812 3.960 0.004 0.000 0.222 6 G HA3 -0.150 3.812 3.960 0.004 0.000 0.222 6 G C -0.544 174.497 174.900 0.233 0.000 1.364 6 G CA 0.049 45.230 45.100 0.136 0.000 0.866 6 G HN 0.949 nan 8.290 nan 0.000 0.555 7 E N 0.728 121.027 120.200 0.165 0.000 2.322 7 E HA 0.559 4.912 4.350 0.004 0.000 0.257 7 E C -2.146 174.466 176.600 0.021 0.000 1.155 7 E CA -1.500 54.985 56.400 0.143 0.000 0.936 7 E CB 0.581 30.282 29.700 0.002 0.000 1.130 7 E HN 0.452 nan 8.360 nan 0.000 0.465 8 P HA 0.099 nan 4.420 nan 0.000 0.238 8 P C -0.893 175.605 177.300 -1.335 0.000 1.794 8 P CA -0.171 62.037 63.100 -1.486 0.000 1.088 8 P CB -0.161 30.532 31.700 -1.678 0.000 1.923 9 N N 2.331 120.540 118.700 -0.818 0.000 3.234 9 N HA 0.097 4.839 4.740 0.004 0.000 0.272 9 N C 0.775 176.065 175.510 -0.368 0.000 1.254 9 N CA -0.686 52.074 53.050 -0.483 0.000 1.087 9 N CB -0.478 37.871 38.487 -0.230 0.000 1.356 9 N HN -0.094 nan 8.380 nan 0.000 0.511 10 F N 1.564 121.388 119.950 -0.210 0.000 2.063 10 F HA -0.124 4.406 4.527 0.004 0.000 0.298 10 F C -0.329 175.395 175.800 -0.126 0.000 1.105 10 F CA 1.239 59.145 58.000 -0.158 0.000 1.215 10 F CB -1.883 37.073 39.000 -0.074 0.000 0.972 10 F HN 0.347 nan 8.300 nan 0.000 0.483 11 P HA -0.206 nan 4.420 nan 0.000 0.216 11 P C 1.437 178.710 177.300 -0.043 0.000 1.154 11 P CA 1.974 65.069 63.100 -0.009 0.000 0.865 11 P CB -0.017 31.682 31.700 -0.001 0.000 0.789 12 K N -0.842 119.537 120.400 -0.034 0.000 2.097 12 K HA -0.037 4.286 4.320 0.004 0.000 0.205 12 K C 2.045 178.632 176.600 -0.022 0.000 1.050 12 K CA 1.115 57.386 56.287 -0.026 0.000 0.938 12 K CB -1.276 31.208 32.500 -0.026 0.000 0.718 12 K HN 0.133 nan 8.250 nan 0.000 0.442 13 L N 0.732 121.948 121.223 -0.012 0.000 2.046 13 L HA -0.212 4.130 4.340 0.004 0.000 0.208 13 L C 2.130 178.977 176.870 -0.038 0.000 1.077 13 L CA 1.456 56.310 54.840 0.025 0.000 0.747 13 L CB -0.360 41.755 42.059 0.094 0.000 0.896 13 L HN 0.275 nan 8.230 nan 0.000 0.432 14 E N -0.048 120.054 120.200 -0.164 0.000 2.077 14 E HA -0.238 4.114 4.350 0.004 0.000 0.193 14 E C 2.038 178.439 176.600 -0.332 0.000 0.989 14 E CA 1.220 57.311 56.400 -0.515 0.000 0.800 14 E CB -0.076 29.055 29.700 -0.948 0.000 0.746 14 E HN 0.531 nan 8.360 nan 0.000 0.452 15 E N 0.659 120.762 120.200 -0.163 0.000 2.204 15 E HA -0.169 4.184 4.350 0.004 0.000 0.194 15 E C 1.876 178.475 176.600 -0.000 0.000 0.989 15 E CA 0.664 57.036 56.400 -0.047 0.000 0.824 15 E CB 0.054 29.753 29.700 -0.002 0.000 0.756 15 E HN 0.331 nan 8.360 nan 0.000 0.477 16 E N 0.391 120.586 120.200 -0.010 0.000 2.008 16 E HA -0.129 4.223 4.350 0.004 0.000 0.191 16 E C 2.300 178.921 176.600 0.034 0.000 0.986 16 E CA 1.038 57.455 56.400 0.028 0.000 0.807 16 E CB -0.034 29.683 29.700 0.028 0.000 0.766 16 E HN 0.050 nan 8.360 nan 0.000 0.450 17 V N 1.934 121.833 119.914 -0.027 0.000 2.370 17 V HA -0.274 3.848 4.120 0.004 0.000 0.252 17 V C 2.396 178.317 176.094 -0.288 0.000 1.068 17 V CA 1.426 63.638 62.300 -0.146 0.000 1.061 17 V CB -0.531 31.151 31.823 -0.234 0.000 0.656 17 V HN 0.207 nan 8.190 nan 0.000 0.455 18 L N 0.880 122.040 121.223 -0.106 0.000 1.970 18 L HA -0.137 4.206 4.340 0.004 0.000 0.212 18 L C 2.560 179.552 176.870 0.204 0.000 1.071 18 L CA 2.476 57.399 54.840 0.138 0.000 0.751 18 L CB -1.254 40.941 42.059 0.227 0.000 0.889 18 L HN 0.253 nan 8.230 nan 0.000 0.432 19 A N -1.101 121.816 122.820 0.162 0.000 1.948 19 A HA -0.316 4.006 4.320 0.004 0.000 0.220 19 A C 2.274 179.995 177.584 0.229 0.000 1.177 19 A CA 2.151 54.294 52.037 0.176 0.000 0.636 19 A CB -1.213 17.873 19.000 0.143 0.000 0.815 19 A HN 0.580 nan 8.150 nan 0.000 0.449 20 F N -0.581 119.413 119.950 0.073 0.000 2.084 20 F HA -0.144 4.386 4.527 0.004 0.000 0.296 20 F C 1.989 177.939 175.800 0.249 0.000 1.111 20 F CA 1.344 59.412 58.000 0.113 0.000 1.224 20 F CB -0.633 38.397 39.000 0.050 0.000 0.991 20 F HN 0.364 nan 8.300 nan 0.000 0.471 21 W N 1.500 122.744 121.300 -0.093 0.000 2.321 21 W HA -0.193 4.470 4.660 0.004 0.000 0.306 21 W C 2.631 179.033 176.519 -0.194 0.000 1.217 21 W CA 1.760 58.963 57.345 -0.235 0.000 1.257 21 W CB -1.333 28.172 29.460 0.074 0.000 1.145 21 W HN 0.148 nan 8.180 nan 0.000 0.509 22 K N 0.353 120.871 120.400 0.198 0.000 2.097 22 K HA -0.183 4.140 4.320 0.004 0.000 0.205 22 K C 2.287 178.916 176.600 0.049 0.000 1.050 22 K CA 1.452 57.805 56.287 0.110 0.000 0.938 22 K CB -0.138 32.448 32.500 0.143 0.000 0.718 22 K HN -0.049 nan 8.250 nan 0.000 0.442 23 R N 0.826 121.359 120.500 0.054 0.000 2.064 23 R HA -0.058 4.285 4.340 0.004 0.000 0.228 23 R C 0.650 176.951 176.300 0.002 0.000 1.144 23 R CA 1.524 57.654 56.100 0.051 0.000 0.932 23 R CB 0.069 30.439 30.300 0.117 0.000 0.833 23 R HN 0.110 nan 8.270 nan 0.000 0.429 24 E N 0.913 121.066 120.200 -0.078 0.000 2.354 24 E HA 0.032 4.384 4.350 0.004 0.000 0.252 24 E C -0.882 175.636 176.600 -0.137 0.000 1.330 24 E CA -0.167 56.186 56.400 -0.080 0.000 1.658 24 E CB 0.329 30.022 29.700 -0.011 0.000 1.460 24 E HN 0.138 nan 8.360 nan 0.000 0.435 25 K N 0.818 121.148 120.400 -0.117 0.000 3.698 25 K HA -0.228 4.094 4.320 0.004 0.000 0.272 25 K C 0.990 177.453 176.600 -0.229 0.000 0.805 25 K CA -0.136 56.059 56.287 -0.152 0.000 0.610 25 K CB -0.609 31.819 32.500 -0.121 0.000 1.713 25 K HN 0.401 nan 8.250 nan 0.000 0.442 26 I N 0.036 120.439 120.570 -0.278 0.000 2.068 26 I HA -0.339 3.834 4.170 0.004 0.000 0.238 26 I C 2.118 177.956 176.117 -0.466 0.000 1.046 26 I CA 1.658 62.769 61.300 -0.315 0.000 1.306 26 I CB -1.217 36.617 38.000 -0.277 0.000 1.023 26 I HN 0.383 nan 8.210 nan 0.000 0.399 27 F N 1.584 120.870 119.950 -1.106 0.000 2.063 27 F HA -0.328 4.202 4.527 0.004 0.000 0.298 27 F C 2.833 178.346 175.800 -0.478 0.000 1.105 27 F CA 2.533 59.846 58.000 -1.145 0.000 1.215 27 F CB -1.038 37.064 39.000 -1.496 0.000 0.972 27 F HN 0.239 nan 8.300 nan 0.000 0.483 28 Q N 0.273 119.666 119.800 -0.678 0.000 2.061 28 Q HA -0.246 4.097 4.340 0.004 0.000 0.204 28 Q C 2.331 178.117 176.000 -0.357 0.000 0.984 28 Q CA 2.249 57.704 55.803 -0.579 0.000 0.846 28 Q CB -0.196 28.339 28.738 -0.339 0.000 0.902 28 Q HN 0.480 nan 8.270 nan 0.000 0.421 29 K N 0.125 120.377 120.400 -0.246 0.000 2.032 29 K HA -0.176 4.146 4.320 0.004 0.000 0.209 29 K C 2.370 178.906 176.600 -0.107 0.000 1.048 29 K CA 1.682 57.887 56.287 -0.137 0.000 0.927 29 K CB -0.249 32.198 32.500 -0.087 0.000 0.712 29 K HN 0.353 nan 8.250 nan 0.000 0.441 30 S N 0.887 116.521 115.700 -0.110 0.000 2.365 30 S HA -0.164 4.309 4.470 0.004 0.000 0.225 30 S C 2.192 176.783 174.600 -0.014 0.000 1.039 30 S CA 1.701 59.889 58.200 -0.019 0.000 1.033 30 S CB -0.861 62.386 63.200 0.079 0.000 0.887 30 S HN 0.051 nan 8.310 nan 0.000 0.447 31 V N 2.550 122.407 119.914 -0.096 0.000 2.323 31 V HA -0.113 4.009 4.120 0.004 0.000 0.244 31 V C 2.805 178.952 176.094 0.089 0.000 1.041 31 V CA 1.979 64.279 62.300 0.001 0.000 1.025 31 V CB -0.953 30.770 31.823 -0.167 0.000 0.656 31 V HN 0.624 nan 8.190 nan 0.000 0.451 32 E N 0.501 120.687 120.200 -0.023 0.000 2.219 32 E HA -0.292 4.060 4.350 0.004 0.000 0.198 32 E C 1.875 178.454 176.600 -0.035 0.000 0.998 32 E CA 1.630 58.016 56.400 -0.024 0.000 0.818 32 E CB -0.053 29.608 29.700 -0.065 0.000 0.741 32 E HN 0.594 nan 8.360 nan 0.000 0.477 33 N N 0.169 118.857 118.700 -0.021 0.000 2.300 33 N HA -0.051 4.691 4.740 0.004 0.000 0.179 33 N C 1.133 176.627 175.510 -0.028 0.000 1.016 33 N CA 0.683 53.721 53.050 -0.021 0.000 0.876 33 N CB 0.019 38.504 38.487 -0.004 0.000 0.979 33 N HN 0.074 nan 8.380 nan 0.000 0.432 34 R N 0.951 121.454 120.500 0.004 0.000 2.320 34 R HA 0.116 4.458 4.340 0.004 0.000 0.211 34 R C 0.206 176.429 176.300 -0.127 0.000 0.931 34 R CA -0.191 55.907 56.100 -0.004 0.000 1.071 34 R CB -0.548 29.806 30.300 0.090 0.000 1.025 34 R HN 0.076 nan 8.270 nan 0.000 0.495 35 K N 0.565 120.802 120.400 -0.273 0.000 2.518 35 K HA 0.050 4.372 4.320 0.004 0.000 0.276 35 K C 1.162 177.570 176.600 -0.319 0.000 0.974 35 K CA 1.417 57.380 56.287 -0.541 0.000 0.986 35 K CB -0.049 32.215 32.500 -0.394 0.000 0.901 35 K HN 0.351 nan 8.250 nan 0.000 0.497 36 G N 1.472 110.079 108.800 -0.323 0.000 2.234 36 G HA2 -0.232 3.730 3.960 0.004 0.000 0.260 36 G HA3 -0.232 3.730 3.960 0.004 0.000 0.260 36 G C 0.521 175.345 174.900 -0.126 0.000 0.987 36 G CA 0.310 45.307 45.100 -0.172 0.000 0.625 36 G HN 0.965 nan 8.290 nan 0.000 0.532 37 G N 0.362 109.083 108.800 -0.131 0.000 2.547 37 G HA2 0.673 4.635 3.960 0.004 0.000 0.291 37 G HA3 0.673 4.635 3.960 0.004 0.000 0.291 37 G C -1.909 172.966 174.900 -0.041 0.000 1.211 37 G CA -0.467 44.575 45.100 -0.097 0.000 0.950 37 G HN 0.297 nan 8.290 nan 0.000 0.504 38 P HA 0.169 nan 4.420 nan 0.000 0.271 38 P C -0.119 177.323 177.300 0.236 0.000 1.233 38 P CA -0.442 62.650 63.100 -0.014 0.000 0.764 38 P CB 0.943 32.517 31.700 -0.210 0.000 0.825 39 R N 3.957 124.612 120.500 0.258 0.000 2.640 39 R HA 0.053 4.395 4.340 0.004 0.000 0.270 39 R C -1.341 175.155 176.300 0.327 0.000 1.024 39 R CA 0.388 56.663 56.100 0.293 0.000 1.085 39 R CB -0.282 30.124 30.300 0.177 0.000 0.963 39 R HN 0.521 nan 8.270 nan 0.000 0.426 40 Y N 2.918 123.275 120.300 0.094 0.000 2.354 40 Y HA 0.364 4.916 4.550 0.004 0.000 0.330 40 Y C -1.169 174.676 175.900 -0.092 0.000 1.011 40 Y CA -0.412 57.662 58.100 -0.044 0.000 1.099 40 Y CB 1.829 40.202 38.460 -0.145 0.000 1.179 40 Y HN 0.820 nan 8.280 nan 0.000 0.442 41 T N 5.209 119.414 114.554 -0.583 0.000 2.863 41 T HA 0.824 5.176 4.350 0.004 0.000 0.285 41 T C -1.812 172.530 174.700 -0.595 0.000 1.009 41 T CA -0.418 61.405 62.100 -0.461 0.000 0.989 41 T CB 1.020 69.671 68.868 -0.362 0.000 1.004 41 T HN 0.455 nan 8.240 nan 0.000 0.455 42 V N 4.055 123.766 119.914 -0.337 0.000 2.914 42 V HA 0.637 4.760 4.120 0.004 0.000 0.314 42 V C -1.448 174.619 176.094 -0.044 0.000 1.084 42 V CA -0.871 61.314 62.300 -0.191 0.000 0.963 42 V CB 2.148 34.045 31.823 0.123 0.000 1.025 42 V HN 0.880 nan 8.190 nan 0.000 0.432 43 Y N 1.173 121.559 120.300 0.143 0.000 2.425 43 Y HA 0.622 5.174 4.550 0.004 0.000 0.344 43 Y C -0.021 176.088 175.900 0.349 0.000 0.969 43 Y CA -1.770 56.496 58.100 0.276 0.000 1.052 43 Y CB 1.853 40.520 38.460 0.344 0.000 1.215 43 Y HN 0.706 nan 8.280 nan 0.000 0.451 44 E N 1.243 121.694 120.200 0.417 0.000 2.134 44 E HA 0.499 4.852 4.350 0.004 0.000 0.278 44 E C 0.092 176.496 176.600 -0.327 0.000 0.959 44 E CA -0.494 55.963 56.400 0.095 0.000 0.783 44 E CB 0.986 30.721 29.700 0.059 0.000 1.095 44 E HN 0.790 nan 8.360 nan 0.000 0.399 45 G N 6.584 114.866 108.800 -0.863 0.000 2.363 45 G HA2 0.129 4.092 3.960 0.004 0.000 0.285 45 G HA3 0.129 4.092 3.960 0.004 0.000 0.285 45 G C -2.040 172.354 174.900 -0.844 0.000 1.084 45 G CA -0.992 43.092 45.100 -1.694 0.000 1.216 45 G HN 0.532 nan 8.290 nan 0.000 0.429 46 P HA 0.054 nan 4.420 nan 0.000 0.260 46 P C -2.318 174.711 177.300 -0.451 0.000 1.172 46 P CA -0.557 62.243 63.100 -0.499 0.000 0.760 46 P CB 1.338 32.845 31.700 -0.321 0.000 0.773 47 P HA 0.351 nan 4.420 nan 0.000 0.301 47 P C -0.857 176.349 177.300 -0.158 0.000 1.309 47 P CA -0.372 62.496 63.100 -0.387 0.000 0.782 47 P CB 1.155 32.451 31.700 -0.673 0.000 1.282 48 T N -0.275 114.203 114.554 -0.127 0.000 2.937 48 T HA 0.459 4.812 4.350 0.004 0.000 0.297 48 T C 0.112 174.693 174.700 -0.198 0.000 0.991 48 T CA -0.309 61.736 62.100 -0.091 0.000 0.990 48 T CB 1.151 69.961 68.868 -0.097 0.000 0.991 48 T HN 0.401 nan 8.240 nan 0.000 0.440 49 A N 3.028 125.584 122.820 -0.440 0.000 2.916 49 A HA 0.195 4.517 4.320 0.004 0.000 0.254 49 A C 1.257 178.763 177.584 -0.130 0.000 1.544 49 A CA -0.231 51.643 52.037 -0.271 0.000 1.224 49 A CB -1.189 17.519 19.000 -0.488 0.000 1.012 49 A HN 0.947 nan 8.150 nan 0.000 0.636 50 N N -1.120 117.471 118.700 -0.183 0.000 2.220 50 N HA 0.298 5.041 4.740 0.004 0.000 0.195 50 N C 0.643 175.884 175.510 -0.448 0.000 1.123 50 N CA 0.371 53.266 53.050 -0.260 0.000 0.874 50 N CB 0.567 38.930 38.487 -0.208 0.000 0.995 50 N HN 0.311 nan 8.380 nan 0.000 0.498 51 G N 0.478 109.068 108.800 -0.349 0.000 2.733 51 G HA2 0.583 4.546 3.960 0.004 0.000 0.288 51 G HA3 0.583 4.546 3.960 0.004 0.000 0.288 51 G C -1.485 173.374 174.900 -0.069 0.000 1.373 51 G CA -0.920 43.956 45.100 -0.373 0.000 0.895 51 G HN 0.162 nan 8.290 nan 0.000 0.479 52 L N -0.879 120.350 121.223 0.010 0.000 2.334 52 L HA 0.713 5.056 4.340 0.004 0.000 0.273 52 L C -2.169 174.603 176.870 -0.163 0.000 1.013 52 L CA -2.446 52.436 54.840 0.071 0.000 0.816 52 L CB 0.776 42.972 42.059 0.229 0.000 1.278 52 L HN 0.300 nan 8.230 nan 0.000 0.431 53 P HA 0.024 nan 4.420 nan 0.000 0.269 53 P C -1.083 175.824 177.300 -0.655 0.000 1.200 53 P CA 0.528 62.995 63.100 -1.055 0.000 0.779 53 P CB 0.038 30.338 31.700 -2.334 0.000 0.841 54 H N -2.250 116.358 119.070 -0.770 0.000 3.017 54 H HA 0.511 5.070 4.556 0.004 0.000 0.346 54 H C -0.421 174.760 175.328 -0.245 0.000 1.286 54 H CA -1.368 54.435 56.048 -0.408 0.000 1.120 54 H CB 0.344 29.890 29.762 -0.361 0.000 1.860 54 H HN 0.279 nan 8.280 nan 0.000 0.542 55 V N -0.161 119.771 119.914 0.030 0.000 2.901 55 V HA 0.422 4.545 4.120 0.004 0.000 0.307 55 V C 1.234 177.296 176.094 -0.052 0.000 1.084 55 V CA 1.059 63.318 62.300 -0.068 0.000 1.184 55 V CB 0.091 31.818 31.823 -0.160 0.000 0.941 55 V HN 1.741 nan 8.190 nan 0.000 0.493 56 G N 2.461 111.180 108.800 -0.135 0.000 2.611 56 G HA2 -0.250 3.712 3.960 0.004 0.000 0.208 56 G HA3 -0.250 3.712 3.960 0.004 0.000 0.208 56 G C 0.722 175.615 174.900 -0.012 0.000 1.201 56 G CA 0.593 45.680 45.100 -0.022 0.000 0.739 56 G HN 0.968 nan 8.290 nan 0.000 0.528 57 H N 1.314 120.184 119.070 -0.334 0.000 2.363 57 H HA 0.384 4.942 4.556 0.004 0.000 0.301 57 H C 2.969 178.260 175.328 -0.060 0.000 1.074 57 H CA 2.443 58.360 56.048 -0.218 0.000 1.354 57 H CB -0.730 28.829 29.762 -0.339 0.000 1.397 57 H HN 0.666 nan 8.280 nan 0.000 0.516 58 A N 0.759 123.663 122.820 0.141 0.000 1.851 58 A HA -0.296 4.026 4.320 0.004 0.000 0.216 58 A C 2.346 179.809 177.584 -0.202 0.000 1.195 58 A CA 2.141 54.184 52.037 0.010 0.000 0.622 58 A CB -0.896 18.066 19.000 -0.063 0.000 0.831 58 A HN 0.532 nan 8.150 nan 0.000 0.444 59 Q N -0.670 118.951 119.800 -0.298 0.000 2.062 59 Q HA -0.240 4.103 4.340 0.004 0.000 0.209 59 Q C 2.247 177.993 176.000 -0.424 0.000 0.996 59 Q CA 2.283 57.790 55.803 -0.492 0.000 0.859 59 Q CB -0.427 28.000 28.738 -0.518 0.000 0.920 59 Q HN 0.620 nan 8.270 nan 0.000 0.415 60 A N 0.643 123.313 122.820 -0.251 0.000 1.892 60 A HA -0.258 4.065 4.320 0.004 0.000 0.218 60 A C 2.071 179.654 177.584 -0.001 0.000 1.188 60 A CA 1.948 53.978 52.037 -0.012 0.000 0.631 60 A CB -0.599 18.438 19.000 0.062 0.000 0.822 60 A HN 0.375 nan 8.150 nan 0.000 0.447 61 R N 0.108 120.526 120.500 -0.136 0.000 2.120 61 R HA -0.056 4.286 4.340 0.004 0.000 0.234 61 R C 2.543 178.826 176.300 -0.027 0.000 1.123 61 R CA 1.557 57.535 56.100 -0.204 0.000 0.975 61 R CB -0.379 29.681 30.300 -0.400 0.000 0.866 61 R HN 0.595 nan 8.270 nan 0.000 0.446 62 S N -0.315 115.292 115.700 -0.155 0.000 2.348 62 S HA -0.165 4.308 4.470 0.004 0.000 0.221 62 S C 1.615 176.263 174.600 0.079 0.000 1.033 62 S CA 1.375 59.479 58.200 -0.160 0.000 1.010 62 S CB -0.483 62.372 63.200 -0.576 0.000 0.891 62 S HN 0.263 nan 8.310 nan 0.000 0.442 63 Y N 2.226 122.651 120.300 0.208 0.000 2.181 63 Y HA -0.100 4.452 4.550 0.004 0.000 0.288 63 Y C 2.476 178.685 175.900 0.515 0.000 1.146 63 Y CA 1.283 59.617 58.100 0.390 0.000 1.164 63 Y CB -0.679 38.002 38.460 0.369 0.000 0.982 63 Y HN 0.223 nan 8.280 nan 0.000 0.515 64 K N 0.634 121.381 120.400 0.577 0.000 2.217 64 K HA -0.147 4.175 4.320 0.004 0.000 0.202 64 K C 1.421 178.286 176.600 0.442 0.000 1.051 64 K CA 1.980 58.625 56.287 0.596 0.000 0.952 64 K CB -0.353 32.425 32.500 0.463 0.000 0.736 64 K HN 0.316 nan 8.250 nan 0.000 0.453 65 D N -0.701 119.885 120.400 0.310 0.000 2.162 65 D HA -0.097 4.546 4.640 0.004 0.000 0.205 65 D C 1.785 178.036 176.300 -0.082 0.000 0.964 65 D CA 0.625 54.676 54.000 0.086 0.000 0.847 65 D CB -0.032 40.783 40.800 0.025 0.000 0.988 65 D HN 0.161 nan 8.370 nan 0.000 0.480 66 L N -0.047 121.107 121.223 -0.115 0.000 2.021 66 L HA -0.181 4.161 4.340 0.004 0.000 0.215 66 L C 1.640 178.132 176.870 -0.630 0.000 1.074 66 L CA 1.867 56.422 54.840 -0.475 0.000 0.760 66 L CB -1.054 40.585 42.059 -0.699 0.000 0.889 66 L HN 0.115 nan 8.230 nan 0.000 0.433 67 F N 0.336 120.102 119.950 -0.308 0.000 2.098 67 F HA 0.020 4.549 4.527 0.004 0.000 0.294 67 F C -0.170 175.421 175.800 -0.348 0.000 1.107 67 F CA 1.550 59.306 58.000 -0.407 0.000 1.234 67 F CB -2.345 36.285 39.000 -0.616 0.000 1.002 67 F HN 0.173 nan 8.300 nan 0.000 0.472 68 P HA -0.176 nan 4.420 nan 0.000 0.218 68 P C 1.338 178.535 177.300 -0.172 0.000 1.148 68 P CA 1.611 64.662 63.100 -0.082 0.000 0.822 68 P CB -0.099 31.663 31.700 0.104 0.000 0.784 69 R N -0.795 119.587 120.500 -0.197 0.000 2.082 69 R HA -0.175 4.168 4.340 0.004 0.000 0.228 69 R C 2.673 178.838 176.300 -0.225 0.000 1.140 69 R CA 1.768 57.738 56.100 -0.218 0.000 0.920 69 R CB -1.425 28.682 30.300 -0.322 0.000 0.828 69 R HN 0.173 nan 8.270 nan 0.000 0.430 70 Y N 2.005 122.042 120.300 -0.439 0.000 2.228 70 Y HA -0.291 4.262 4.550 0.005 0.000 0.285 70 Y C 1.910 177.502 175.900 -0.512 0.000 1.178 70 Y CA 1.626 59.397 58.100 -0.548 0.000 1.202 70 Y CB 0.048 38.020 38.460 -0.814 0.000 0.974 70 Y HN -0.104 nan 8.280 nan 0.000 0.527 71 K N -0.247 119.767 120.400 -0.642 0.000 2.116 71 K HA -0.073 4.249 4.320 0.004 0.000 0.203 71 K C 2.170 178.571 176.600 -0.332 0.000 1.052 71 K CA 1.645 57.490 56.287 -0.737 0.000 0.952 71 K CB -0.811 30.992 32.500 -1.161 0.000 0.729 71 K HN 0.609 nan 8.250 nan 0.000 0.446 72 T N -0.675 113.754 114.554 -0.208 0.000 2.867 72 T HA -0.062 4.291 4.350 0.004 0.000 0.268 72 T C 2.111 176.783 174.700 -0.047 0.000 1.057 72 T CA 0.847 62.922 62.100 -0.041 0.000 1.136 72 T CB -0.123 68.753 68.868 0.015 0.000 0.874 72 T HN 0.024 nan 8.240 nan 0.000 0.466 73 M N 0.498 120.036 119.600 -0.104 0.000 2.159 73 M HA 0.056 4.539 4.480 0.004 0.000 0.263 73 M C 2.513 178.800 176.300 -0.022 0.000 1.063 73 M CA 1.390 56.677 55.300 -0.022 0.000 1.110 73 M CB -0.243 32.405 32.600 0.080 0.000 1.374 73 M HN 0.081 nan 8.290 nan 0.000 0.411 74 R N 0.236 120.631 120.500 -0.176 0.000 2.328 74 R HA 0.058 4.400 4.340 0.004 0.000 0.206 74 R C 0.297 176.562 176.300 -0.058 0.000 0.990 74 R CA 0.431 56.456 56.100 -0.125 0.000 1.085 74 R CB -0.301 29.792 30.300 -0.345 0.000 0.998 74 R HN 0.568 nan 8.270 nan 0.000 0.484 75 G N 0.662 109.439 108.800 -0.038 0.000 2.341 75 G HA2 -0.292 3.671 3.960 0.004 0.000 0.278 75 G HA3 -0.292 3.671 3.960 0.004 0.000 0.278 75 G C -0.777 174.040 174.900 -0.140 0.000 1.111 75 G CA -0.306 44.751 45.100 -0.072 0.000 0.982 75 G HN 0.287 nan 8.290 nan 0.000 0.502 76 Y N -1.235 119.031 120.300 -0.056 0.000 2.485 76 Y HA 0.563 5.116 4.550 0.004 0.000 0.345 76 Y C 0.140 176.108 175.900 0.114 0.000 0.998 76 Y CA -1.407 56.699 58.100 0.010 0.000 1.059 76 Y CB 1.506 39.934 38.460 -0.053 0.000 1.234 76 Y HN 0.294 nan 8.280 nan 0.000 0.461 77 Y N 2.868 123.268 120.300 0.167 0.000 2.585 77 Y HA 0.538 5.090 4.550 0.004 0.000 0.354 77 Y C -0.333 175.659 175.900 0.154 0.000 1.024 77 Y CA -1.597 56.566 58.100 0.105 0.000 1.321 77 Y CB 0.162 38.660 38.460 0.064 0.000 1.151 77 Y HN 0.573 nan 8.280 nan 0.000 0.525 78 A N 9.569 132.416 122.820 0.045 0.000 3.165 78 A HA 0.425 4.747 4.320 0.004 0.000 0.331 78 A C -2.672 174.850 177.584 -0.102 0.000 1.034 78 A CA -1.469 50.576 52.037 0.014 0.000 0.906 78 A CB -0.507 18.582 19.000 0.149 0.000 1.054 78 A HN 0.535 nan 8.150 nan 0.000 0.484 79 P HA 0.420 nan 4.420 nan 0.000 0.272 79 P C -0.599 176.685 177.300 -0.027 0.000 1.230 79 P CA -0.042 62.922 63.100 -0.226 0.000 0.788 79 P CB 1.009 32.478 31.700 -0.385 0.000 0.949 80 R N 0.663 121.219 120.500 0.093 0.000 2.686 80 R HA 0.650 4.992 4.340 0.004 0.000 0.283 80 R C -0.035 176.339 176.300 0.123 0.000 0.978 80 R CA -0.634 55.536 56.100 0.116 0.000 0.897 80 R CB 2.426 32.779 30.300 0.089 0.000 1.192 80 R HN 0.444 nan 8.270 nan 0.000 0.457 81 R N 0.960 121.537 120.500 0.127 0.000 2.771 81 R HA 0.829 5.172 4.340 0.004 0.000 0.274 81 R C -1.494 174.879 176.300 0.120 0.000 0.987 81 R CA -0.715 55.463 56.100 0.130 0.000 0.908 81 R CB 2.057 32.455 30.300 0.163 0.000 1.213 81 R HN 0.740 nan 8.270 nan 0.000 0.468 82 A N 1.011 123.836 122.820 0.009 0.000 2.350 82 A HA 0.907 5.230 4.320 0.004 0.000 0.318 82 A C -0.750 176.472 177.584 -0.602 0.000 1.132 82 A CA -0.419 51.491 52.037 -0.211 0.000 0.811 82 A CB 1.887 20.732 19.000 -0.259 0.000 1.313 82 A HN 0.802 nan 8.150 nan 0.000 0.454 83 G N -1.614 106.513 108.800 -1.122 0.000 2.660 83 G HA2 0.559 4.522 3.960 0.004 0.000 0.290 83 G HA3 0.559 4.522 3.960 0.004 0.000 0.290 83 G C -1.966 172.027 174.900 -1.512 0.000 1.432 83 G CA -0.586 43.362 45.100 -1.920 0.000 0.807 83 G HN 0.692 nan 8.290 nan 0.000 0.485 84 W N -0.055 120.820 121.300 -0.709 0.000 2.702 84 W HA 0.504 5.166 4.660 0.004 0.000 0.331 84 W C -0.918 175.378 176.519 -0.372 0.000 1.049 84 W CA -0.644 56.440 57.345 -0.434 0.000 1.230 84 W CB 2.448 31.765 29.460 -0.238 0.000 1.408 84 W HN 0.386 nan 8.180 nan 0.000 0.492 85 D N 1.615 121.972 120.400 -0.071 0.000 2.456 85 D HA 0.126 4.768 4.640 0.004 0.000 0.219 85 D C 0.826 177.049 176.300 -0.128 0.000 1.126 85 D CA -0.029 53.893 54.000 -0.130 0.000 0.890 85 D CB 0.747 41.456 40.800 -0.153 0.000 1.025 85 D HN 0.394 nan 8.370 nan 0.000 0.511 86 T N -0.120 114.306 114.554 -0.213 0.000 3.273 86 T HA 0.247 4.599 4.350 0.004 0.000 0.254 86 T C 0.413 175.032 174.700 -0.134 0.000 1.002 86 T CA -0.052 61.921 62.100 -0.210 0.000 0.913 86 T CB -0.214 68.478 68.868 -0.292 0.000 1.056 86 T HN 0.363 nan 8.240 nan 0.000 0.576 87 H N -0.796 118.197 119.070 -0.129 0.000 2.960 87 H HA 0.641 5.200 4.556 0.004 0.000 0.303 87 H C 0.688 175.978 175.328 -0.064 0.000 1.412 87 H CA -0.632 55.250 56.048 -0.275 0.000 1.227 87 H CB 1.761 31.314 29.762 -0.349 0.000 1.912 87 H HN 0.476 nan 8.280 nan 0.000 0.583 88 G N -0.315 108.547 108.800 0.102 0.000 2.760 88 G HA2 -0.247 3.716 3.960 0.004 0.000 0.246 88 G HA3 -0.247 3.716 3.960 0.004 0.000 0.246 88 G C 0.642 175.640 174.900 0.163 0.000 1.359 88 G CA -0.088 45.085 45.100 0.122 0.000 0.861 88 G HN 0.530 nan 8.290 nan 0.000 0.541 89 L N 0.597 121.895 121.223 0.125 0.000 2.081 89 L HA -0.101 4.242 4.340 0.004 0.000 0.212 89 L C 0.266 177.128 176.870 -0.013 0.000 1.080 89 L CA 2.410 57.292 54.840 0.069 0.000 0.754 89 L CB -1.467 40.600 42.059 0.013 0.000 0.893 89 L HN 0.444 nan 8.230 nan 0.000 0.433 90 P HA -0.133 nan 4.420 nan 0.000 0.215 90 P C 1.997 179.268 177.300 -0.047 0.000 1.157 90 P CA 1.149 64.178 63.100 -0.119 0.000 0.868 90 P CB 0.041 31.668 31.700 -0.122 0.000 0.788 91 V N 0.261 120.190 119.914 0.025 0.000 2.255 91 V HA -0.273 3.850 4.120 0.004 0.000 0.247 91 V C 2.322 178.420 176.094 0.007 0.000 1.051 91 V CA 1.952 64.271 62.300 0.032 0.000 1.018 91 V CB -1.289 30.658 31.823 0.207 0.000 0.641 91 V HN 0.164 nan 8.190 nan 0.000 0.445 92 E N -0.307 119.972 120.200 0.132 0.000 2.085 92 E HA -0.256 4.096 4.350 0.004 0.000 0.194 92 E C 2.085 178.798 176.600 0.189 0.000 0.994 92 E CA 1.272 57.813 56.400 0.235 0.000 0.801 92 E CB -0.214 29.746 29.700 0.433 0.000 0.743 92 E HN 0.338 nan 8.360 nan 0.000 0.453 93 L N 1.055 122.316 121.223 0.064 0.000 2.275 93 L HA -0.154 4.188 4.340 0.004 0.000 0.215 93 L C 2.042 178.896 176.870 -0.026 0.000 1.119 93 L CA 1.386 56.229 54.840 0.006 0.000 0.790 93 L CB -0.148 41.870 42.059 -0.068 0.000 0.919 93 L HN 0.027 nan 8.230 nan 0.000 0.443 94 E N -1.026 119.142 120.200 -0.054 0.000 2.060 94 E HA 0.008 4.360 4.350 0.004 0.000 0.189 94 E C 2.240 178.780 176.600 -0.100 0.000 0.974 94 E CA 0.795 57.144 56.400 -0.085 0.000 0.808 94 E CB -0.456 29.178 29.700 -0.110 0.000 0.768 94 E HN 0.227 nan 8.360 nan 0.000 0.453 95 V N 1.861 121.687 119.914 -0.146 0.000 3.241 95 V HA -0.143 3.980 4.120 0.004 0.000 0.269 95 V C 1.996 178.060 176.094 -0.049 0.000 1.151 95 V CA 1.236 63.394 62.300 -0.237 0.000 1.158 95 V CB -0.472 31.007 31.823 -0.574 0.000 0.764 95 V HN 0.208 nan 8.190 nan 0.000 0.508 96 E N -0.111 120.140 120.200 0.086 0.000 2.102 96 E HA -0.067 4.285 4.350 0.004 0.000 0.190 96 E C 2.190 178.775 176.600 -0.024 0.000 0.971 96 E CA 0.448 56.916 56.400 0.113 0.000 0.821 96 E CB 0.055 29.802 29.700 0.079 0.000 0.777 96 E HN 0.490 nan 8.360 nan 0.000 0.460 97 K N 0.683 121.057 120.400 -0.043 0.000 2.288 97 K HA -0.088 4.234 4.320 0.004 0.000 0.201 97 K C 1.895 178.451 176.600 -0.073 0.000 1.048 97 K CA 0.716 56.966 56.287 -0.061 0.000 0.956 97 K CB 0.145 32.609 32.500 -0.060 0.000 0.746 97 K HN -0.028 nan 8.250 nan 0.000 0.461 98 K N 0.831 121.178 120.400 -0.090 0.000 1.991 98 K HA 0.029 4.352 4.320 0.004 0.000 0.208 98 K C 1.817 178.349 176.600 -0.113 0.000 1.038 98 K CA 0.785 57.014 56.287 -0.097 0.000 0.943 98 K CB -0.071 32.359 32.500 -0.116 0.000 0.736 98 K HN -0.006 nan 8.250 nan 0.000 0.440 99 L N 0.659 121.779 121.223 -0.171 0.000 2.642 99 L HA -0.037 4.305 4.340 0.004 0.000 0.236 99 L C 1.101 177.857 176.870 -0.190 0.000 1.169 99 L CA 0.699 55.388 54.840 -0.251 0.000 0.851 99 L CB -0.782 40.952 42.059 -0.543 0.000 0.968 99 L HN 0.624 nan 8.230 nan 0.000 0.453 100 G N -0.624 108.101 108.800 -0.124 0.000 2.168 100 G HA2 -0.254 3.709 3.960 0.004 0.000 0.263 100 G HA3 -0.254 3.709 3.960 0.004 0.000 0.263 100 G C 0.297 175.140 174.900 -0.095 0.000 0.977 100 G CA -0.172 44.873 45.100 -0.091 0.000 0.659 100 G HN 0.130 nan 8.290 nan 0.000 0.533 101 L N -0.607 120.543 121.223 -0.121 0.000 2.467 101 L HA 0.414 4.756 4.340 0.004 0.000 0.270 101 L C 1.366 178.176 176.870 -0.100 0.000 1.205 101 L CA 0.871 55.638 54.840 -0.123 0.000 0.828 101 L CB 0.748 42.703 42.059 -0.174 0.000 1.101 101 L HN 0.277 nan 8.230 nan 0.000 0.479 102 K N -0.068 120.273 120.400 -0.098 0.000 2.517 102 K HA 0.153 4.475 4.320 0.004 0.000 0.210 102 K C -0.074 176.472 176.600 -0.089 0.000 1.166 102 K CA 0.027 56.261 56.287 -0.088 0.000 1.030 102 K CB 0.994 33.445 32.500 -0.082 0.000 0.974 102 K HN 0.723 nan 8.250 nan 0.000 0.585 103 S N -0.690 114.951 115.700 -0.099 0.000 2.570 103 S HA 0.327 4.800 4.470 0.004 0.000 0.270 103 S C 0.109 174.643 174.600 -0.110 0.000 1.149 103 S CA -0.947 57.204 58.200 -0.082 0.000 0.837 103 S CB 1.945 65.111 63.200 -0.058 0.000 1.124 103 S HN -0.002 nan 8.310 nan 0.000 0.465 104 K N 0.533 120.897 120.400 -0.059 0.000 2.209 104 K HA -0.045 4.277 4.320 0.004 0.000 0.204 104 K C 2.020 178.573 176.600 -0.078 0.000 1.048 104 K CA 1.185 57.451 56.287 -0.035 0.000 0.940 104 K CB -0.175 32.389 32.500 0.107 0.000 0.729 104 K HN 0.517 nan 8.250 nan 0.000 0.451 105 R N 0.848 121.317 120.500 -0.052 0.000 2.073 105 R HA -0.082 4.261 4.340 0.004 0.000 0.229 105 R C 2.094 178.341 176.300 -0.088 0.000 1.120 105 R CA 1.194 57.266 56.100 -0.047 0.000 0.967 105 R CB -0.080 30.209 30.300 -0.018 0.000 0.862 105 R HN 0.267 nan 8.270 nan 0.000 0.436 106 E N 0.713 120.851 120.200 -0.102 0.000 2.077 106 E HA -0.176 4.177 4.350 0.004 0.000 0.193 106 E C 2.030 178.536 176.600 -0.157 0.000 0.989 106 E CA 1.066 57.406 56.400 -0.100 0.000 0.800 106 E CB -0.110 29.531 29.700 -0.097 0.000 0.746 106 E HN 0.301 nan 8.360 nan 0.000 0.452 107 I N 1.583 121.972 120.570 -0.301 0.000 2.163 107 I HA -0.280 3.893 4.170 0.004 0.000 0.243 107 I C 2.335 178.177 176.117 -0.459 0.000 1.085 107 I CA 1.198 62.173 61.300 -0.542 0.000 1.347 107 I CB -0.242 37.179 38.000 -0.964 0.000 1.044 107 I HN 0.082 nan 8.210 nan 0.000 0.408 108 E N 0.840 120.805 120.200 -0.392 0.000 2.204 108 E HA -0.220 4.132 4.350 0.004 0.000 0.195 108 E C 2.247 178.778 176.600 -0.116 0.000 0.990 108 E CA 1.309 57.563 56.400 -0.244 0.000 0.821 108 E CB -0.159 29.478 29.700 -0.105 0.000 0.750 108 E HN 0.557 nan 8.360 nan 0.000 0.477 109 A N 1.220 123.989 122.820 -0.084 0.000 1.832 109 A HA -0.216 4.107 4.320 0.004 0.000 0.214 109 A C 2.081 179.673 177.584 0.014 0.000 1.200 109 A CA 1.378 53.399 52.037 -0.026 0.000 0.610 109 A CB -1.137 17.855 19.000 -0.014 0.000 0.842 109 A HN 0.307 nan 8.150 nan 0.000 0.444 110 Y N 0.286 120.527 120.300 -0.098 0.000 2.173 110 Y HA 0.046 4.599 4.550 0.004 0.000 0.282 110 Y C 1.078 176.948 175.900 -0.050 0.000 1.192 110 Y CA 1.571 59.634 58.100 -0.062 0.000 1.176 110 Y CB -0.407 38.025 38.460 -0.047 0.000 0.969 110 Y HN 0.773 nan 8.280 nan 0.000 0.519 111 G N -1.629 107.194 108.800 0.038 0.000 2.931 111 G HA2 -0.108 3.855 3.960 0.004 0.000 0.675 111 G HA3 -0.108 3.855 3.960 0.004 0.000 0.675 111 G C 0.122 175.045 174.900 0.039 0.000 1.339 111 G CA -0.307 44.782 45.100 -0.017 0.000 0.866 111 G HN 0.232 nan 8.290 nan 0.000 0.616 112 I N 0.624 121.197 120.570 0.004 0.000 2.133 112 I HA -0.114 4.058 4.170 0.004 0.000 0.238 112 I C 2.602 178.774 176.117 0.092 0.000 1.074 112 I CA 1.804 63.132 61.300 0.046 0.000 1.342 112 I CB -0.137 37.910 38.000 0.078 0.000 1.053 112 I HN 0.850 nan 8.210 nan 0.000 0.404 113 E N 0.969 121.183 120.200 0.024 0.000 2.147 113 E HA -0.313 4.039 4.350 0.004 0.000 0.199 113 E C 2.241 178.869 176.600 0.047 0.000 1.005 113 E CA 1.554 57.958 56.400 0.008 0.000 0.810 113 E CB 0.086 29.796 29.700 0.017 0.000 0.736 113 E HN 0.205 nan 8.360 nan 0.000 0.460 114 R N -0.374 120.161 120.500 0.058 0.000 2.070 114 R HA -0.121 4.222 4.340 0.004 0.000 0.227 114 R C 2.133 178.535 176.300 0.171 0.000 1.147 114 R CA 1.803 57.952 56.100 0.083 0.000 0.924 114 R CB -0.915 29.376 30.300 -0.014 0.000 0.827 114 R HN 0.254 nan 8.270 nan 0.000 0.431 115 F N 1.782 121.806 119.950 0.123 0.000 2.085 115 F HA -0.368 4.161 4.527 0.004 0.000 0.299 115 F C 1.742 177.447 175.800 -0.158 0.000 1.096 115 F CA 2.016 60.004 58.000 -0.020 0.000 1.227 115 F CB -0.410 38.531 39.000 -0.099 0.000 0.983 115 F HN 0.122 nan 8.300 nan 0.000 0.482 116 N N 0.399 119.050 118.700 -0.082 0.000 2.084 116 N HA -0.191 4.552 4.740 0.004 0.000 0.190 116 N C 1.843 176.954 175.510 -0.664 0.000 1.030 116 N CA 1.699 54.518 53.050 -0.385 0.000 0.849 116 N CB -0.672 37.809 38.487 -0.010 0.000 1.012 116 N HN 0.544 nan 8.380 nan 0.000 0.423 117 Q N 0.145 119.741 119.800 -0.340 0.000 2.181 117 Q HA -0.014 4.329 4.340 0.004 0.000 0.205 117 Q C 1.879 177.653 176.000 -0.376 0.000 0.980 117 Q CA 1.400 57.019 55.803 -0.307 0.000 0.862 117 Q CB -0.126 28.538 28.738 -0.123 0.000 0.905 117 Q HN 0.401 nan 8.270 nan 0.000 0.429 118 A N -0.139 122.451 122.820 -0.384 0.000 2.014 118 A HA -0.129 4.193 4.320 0.004 0.000 0.218 118 A C 2.193 179.432 177.584 -0.575 0.000 1.163 118 A CA 0.829 52.634 52.037 -0.387 0.000 0.652 118 A CB -0.524 18.271 19.000 -0.341 0.000 0.808 118 A HN 0.440 nan 8.150 nan 0.000 0.449 119 C N -1.420 117.353 119.300 -0.879 0.000 2.476 119 C HA 0.023 4.485 4.460 0.004 0.000 0.278 119 C C 2.706 177.104 174.990 -0.987 0.000 1.274 119 C CA 1.022 59.380 59.018 -1.100 0.000 1.713 119 C CB -1.129 25.545 27.740 -1.777 0.000 2.039 119 C HN 0.734 nan 8.230 nan 0.000 0.484 120 R N 1.068 120.905 120.500 -1.105 0.000 2.117 120 R HA -0.172 4.170 4.340 0.004 0.000 0.243 120 R C 1.969 178.012 176.300 -0.429 0.000 1.143 120 R CA 1.759 57.457 56.100 -0.670 0.000 0.968 120 R CB -0.164 29.836 30.300 -0.499 0.000 0.863 120 R HN 0.639 nan 8.270 nan 0.000 0.444 121 E N -0.355 119.623 120.200 -0.369 0.000 2.016 121 E HA -0.137 4.215 4.350 0.004 0.000 0.190 121 E C 1.953 178.405 176.600 -0.246 0.000 0.985 121 E CA 1.371 57.633 56.400 -0.231 0.000 0.802 121 E CB -0.060 29.540 29.700 -0.167 0.000 0.762 121 E HN 0.421 nan 8.360 nan 0.000 0.448 122 S N 1.355 116.889 115.700 -0.276 0.000 2.421 122 S HA -0.252 4.220 4.470 0.004 0.000 0.239 122 S C 2.295 176.750 174.600 -0.243 0.000 1.054 122 S CA 1.754 59.816 58.200 -0.231 0.000 1.035 122 S CB -1.288 61.752 63.200 -0.267 0.000 0.840 122 S HN 0.275 nan 8.310 nan 0.000 0.475 123 V N -2.851 116.837 119.914 -0.377 0.000 2.667 123 V HA 0.127 4.250 4.120 0.004 0.000 0.252 123 V C 1.811 177.607 176.094 -0.497 0.000 1.065 123 V CA 1.156 63.157 62.300 -0.498 0.000 1.083 123 V CB -1.161 30.246 31.823 -0.693 0.000 0.692 123 V HN 0.400 nan 8.190 nan 0.000 0.468 124 F N 2.001 121.808 119.950 -0.237 0.000 2.695 124 F HA 0.228 4.758 4.527 0.004 0.000 0.303 124 F C 2.491 178.236 175.800 -0.091 0.000 1.091 124 F CA 0.127 57.974 58.000 -0.255 0.000 1.300 124 F CB -1.045 37.816 39.000 -0.232 0.000 1.071 124 F HN 0.334 nan 8.300 nan 0.000 0.578 125 T N -2.211 112.437 114.554 0.157 0.000 2.721 125 T HA -0.296 4.056 4.350 0.004 0.000 0.268 125 T C 1.118 176.052 174.700 0.389 0.000 1.038 125 T CA 1.662 63.912 62.100 0.250 0.000 1.145 125 T CB -0.676 68.364 68.868 0.286 0.000 0.858 125 T HN 0.215 nan 8.240 nan 0.000 0.459 126 Y N 1.234 121.581 120.300 0.078 0.000 2.751 126 Y HA 0.492 5.045 4.550 0.004 0.000 0.289 126 Y C 1.694 177.745 175.900 0.252 0.000 1.110 126 Y CA -1.850 56.346 58.100 0.161 0.000 1.251 126 Y CB -0.481 38.114 38.460 0.226 0.000 1.178 126 Y HN 0.432 nan 8.280 nan 0.000 0.540 127 E N 0.821 121.166 120.200 0.242 0.000 2.038 127 E HA -0.202 4.151 4.350 0.004 0.000 0.195 127 E C 1.603 178.359 176.600 0.261 0.000 1.000 127 E CA 1.540 58.030 56.400 0.149 0.000 0.803 127 E CB 0.341 30.012 29.700 -0.048 0.000 0.750 127 E HN 0.070 nan 8.360 nan 0.000 0.448 128 K N 0.615 121.117 120.400 0.169 0.000 2.147 128 K HA -0.149 4.173 4.320 0.004 0.000 0.205 128 K C 1.839 178.562 176.600 0.205 0.000 1.049 128 K CA 1.333 57.716 56.287 0.159 0.000 0.936 128 K CB -0.226 32.320 32.500 0.076 0.000 0.722 128 K HN 0.416 nan 8.250 nan 0.000 0.446 129 E N -1.007 119.309 120.200 0.193 0.000 2.427 129 E HA -0.131 4.222 4.350 0.004 0.000 0.196 129 E C 1.763 178.494 176.600 0.218 0.000 1.028 129 E CA 0.414 56.916 56.400 0.169 0.000 0.864 129 E CB -0.295 29.440 29.700 0.059 0.000 0.813 129 E HN 0.357 nan 8.360 nan 0.000 0.514 130 W N 2.681 124.168 121.300 0.311 0.000 2.539 130 W HA -0.016 4.646 4.660 0.004 0.000 0.299 130 W C 1.958 178.737 176.519 0.434 0.000 1.165 130 W CA 1.073 58.654 57.345 0.392 0.000 1.400 130 W CB 0.178 29.913 29.460 0.459 0.000 1.123 130 W HN 0.095 nan 8.180 nan 0.000 0.533 131 E N 0.016 120.573 120.200 0.594 0.000 2.405 131 E HA 0.169 4.522 4.350 0.004 0.000 0.194 131 E C 1.013 177.826 176.600 0.354 0.000 1.149 131 E CA 0.746 57.412 56.400 0.444 0.000 0.933 131 E CB -0.005 29.907 29.700 0.354 0.000 1.028 131 E HN 0.172 nan 8.360 nan 0.000 0.487 132 A N 0.026 123.082 122.820 0.392 0.000 2.140 132 A HA 0.174 4.497 4.320 0.004 0.000 0.199 132 A C 1.363 179.219 177.584 0.454 0.000 1.416 132 A CA -0.233 52.035 52.037 0.385 0.000 1.018 132 A CB -0.340 18.877 19.000 0.362 0.000 1.117 132 A HN 0.379 nan 8.150 nan 0.000 0.480 133 F N 1.767 121.886 119.950 0.282 0.000 2.118 133 F HA -0.034 4.496 4.527 0.004 0.000 0.293 133 F C 2.205 178.058 175.800 0.089 0.000 1.102 133 F CA 2.436 60.499 58.000 0.106 0.000 1.247 133 F CB -0.540 38.439 39.000 -0.035 0.000 1.017 133 F HN 0.133 nan 8.300 nan 0.000 0.475 134 T N 0.311 115.029 114.554 0.272 0.000 2.653 134 T HA -0.318 4.035 4.350 0.004 0.000 0.268 134 T C 1.841 176.625 174.700 0.141 0.000 1.035 134 T CA 2.033 64.271 62.100 0.229 0.000 1.154 134 T CB -0.558 68.567 68.868 0.428 0.000 0.862 134 T HN 0.523 nan 8.240 nan 0.000 0.441 135 E N 0.391 120.708 120.200 0.195 0.000 2.107 135 E HA -0.158 4.194 4.350 0.004 0.000 0.191 135 E C 2.442 179.181 176.600 0.230 0.000 0.982 135 E CA 0.739 57.276 56.400 0.230 0.000 0.809 135 E CB 0.014 29.865 29.700 0.252 0.000 0.756 135 E HN 0.155 nan 8.360 nan 0.000 0.459 136 R N 1.471 122.037 120.500 0.111 0.000 2.066 136 R HA -0.021 4.322 4.340 0.004 0.000 0.232 136 R C 1.241 177.571 176.300 0.051 0.000 1.131 136 R CA 1.343 57.470 56.100 0.045 0.000 0.955 136 R CB -0.719 29.456 30.300 -0.208 0.000 0.851 136 R HN 0.298 nan 8.270 nan 0.000 0.432 137 I N -1.305 119.161 120.570 -0.173 0.000 3.004 137 I HA 0.269 4.442 4.170 0.004 0.000 0.287 137 I C 0.282 176.439 176.117 0.066 0.000 1.144 137 I CA -0.149 61.090 61.300 -0.102 0.000 1.353 137 I CB 1.063 38.837 38.000 -0.377 0.000 1.417 137 I HN 0.044 nan 8.210 nan 0.000 0.602 138 A N 3.633 126.460 122.820 0.011 0.000 3.117 138 A HA 0.120 4.443 4.320 0.004 0.000 0.255 138 A C -0.011 177.399 177.584 -0.289 0.000 1.583 138 A CA -0.242 51.687 52.037 -0.180 0.000 1.234 138 A CB -1.198 17.439 19.000 -0.604 0.000 1.076 138 A HN 0.635 nan 8.150 nan 0.000 0.653 139 Y N 1.068 121.254 120.300 -0.190 0.000 2.530 139 Y HA 0.242 4.794 4.550 0.004 0.000 0.340 139 Y C -0.555 175.279 175.900 -0.110 0.000 1.247 139 Y CA -1.423 56.576 58.100 -0.168 0.000 1.727 139 Y CB -0.284 38.112 38.460 -0.105 0.000 1.613 139 Y HN 0.522 nan 8.280 nan 0.000 0.464 140 W N 6.123 126.946 121.300 -0.795 0.000 2.605 140 W HA 0.412 5.075 4.660 0.005 0.000 0.327 140 W C -0.545 175.203 176.519 -1.285 0.000 1.332 140 W CA -0.608 56.039 57.345 -1.164 0.000 1.403 140 W CB 0.188 28.815 29.460 -1.387 0.000 1.452 140 W HN 0.179 nan 8.180 nan 0.000 0.503 141 V N 4.660 124.113 119.914 -0.769 0.000 3.012 141 V HA 0.276 4.399 4.120 0.004 0.000 0.307 141 V C -0.827 175.221 176.094 -0.076 0.000 1.166 141 V CA -0.858 61.196 62.300 -0.411 0.000 0.974 141 V CB 2.308 33.898 31.823 -0.387 0.000 1.040 141 V HN 0.192 nan 8.190 nan 0.000 0.428 142 D N 3.491 123.966 120.400 0.126 0.000 2.339 142 D HA 0.269 4.912 4.640 0.004 0.000 0.256 142 D C 0.324 176.676 176.300 0.086 0.000 1.214 142 D CA 0.491 54.591 54.000 0.166 0.000 0.877 142 D CB 1.663 42.557 40.800 0.157 0.000 1.111 142 D HN 0.543 nan 8.370 nan 0.000 0.478 143 L N 3.277 124.555 121.223 0.091 0.000 2.717 143 L HA 0.072 4.415 4.340 0.004 0.000 0.239 143 L C 2.105 179.031 176.870 0.092 0.000 1.086 143 L CA 0.045 54.936 54.840 0.085 0.000 0.897 143 L CB 0.228 42.364 42.059 0.128 0.000 1.214 143 L HN 0.426 nan 8.230 nan 0.000 0.508 144 E N 0.068 120.319 120.200 0.085 0.000 2.153 144 E HA -0.230 4.122 4.350 0.004 0.000 0.194 144 E C 0.348 176.986 176.600 0.065 0.000 0.988 144 E CA 1.565 58.008 56.400 0.071 0.000 0.811 144 E CB -0.255 29.481 29.700 0.060 0.000 0.746 144 E HN 0.486 nan 8.360 nan 0.000 0.466 145 D N 0.798 121.239 120.400 0.069 0.000 3.008 145 D HA 0.301 4.943 4.640 0.004 0.000 0.312 145 D C -0.291 176.057 176.300 0.081 0.000 1.361 145 D CA -0.443 53.601 54.000 0.074 0.000 0.858 145 D CB 0.306 41.150 40.800 0.074 0.000 1.098 145 D HN 0.290 nan 8.370 nan 0.000 0.482 146 A N 0.872 123.725 122.820 0.055 0.000 2.406 146 A HA 0.441 4.763 4.320 0.004 0.000 0.243 146 A C -0.217 177.376 177.584 0.015 0.000 1.082 146 A CA -0.567 51.449 52.037 -0.035 0.000 0.786 146 A CB 0.079 19.001 19.000 -0.129 0.000 1.029 146 A HN 0.476 nan 8.150 nan 0.000 0.495 147 Y N -1.015 119.282 120.300 -0.005 0.000 2.432 147 Y HA 0.728 5.280 4.550 0.004 0.000 0.322 147 Y C -0.021 175.884 175.900 0.008 0.000 1.246 147 Y CA -1.135 56.984 58.100 0.032 0.000 1.268 147 Y CB 1.123 39.629 38.460 0.076 0.000 1.276 147 Y HN 0.840 nan 8.280 nan 0.000 0.499 148 A N 1.107 123.972 122.820 0.074 0.000 2.408 148 A HA 0.413 4.736 4.320 0.004 0.000 0.295 148 A C 0.648 178.031 177.584 -0.335 0.000 1.040 148 A CA -0.289 51.726 52.037 -0.036 0.000 0.707 148 A CB 0.591 19.695 19.000 0.173 0.000 1.235 148 A HN 1.085 nan 8.150 nan 0.000 0.418 149 T N 0.322 114.525 114.554 -0.585 0.000 2.946 149 T HA -0.174 4.179 4.350 0.004 0.000 0.271 149 T C 1.294 175.675 174.700 -0.533 0.000 1.104 149 T CA 2.023 63.608 62.100 -0.859 0.000 1.114 149 T CB -0.841 67.704 68.868 -0.539 0.000 0.867 149 T HN 1.237 nan 8.240 nan 0.000 0.513 150 L N -0.749 120.203 121.223 -0.452 0.000 2.591 150 L HA 0.465 4.808 4.340 0.004 0.000 0.228 150 L C 0.355 177.273 176.870 0.081 0.000 1.133 150 L CA -0.276 54.427 54.840 -0.228 0.000 0.880 150 L CB -0.787 41.163 42.059 -0.182 0.000 1.033 150 L HN 0.136 nan 8.230 nan 0.000 0.450 151 E N 1.239 121.473 120.200 0.056 0.000 2.313 151 E HA 0.143 4.496 4.350 0.004 0.000 0.276 151 E C -1.659 175.035 176.600 0.157 0.000 1.031 151 E CA -1.754 54.720 56.400 0.123 0.000 0.857 151 E CB 0.721 30.501 29.700 0.134 0.000 1.040 151 E HN 0.011 nan 8.360 nan 0.000 0.408 152 P HA -0.303 nan 4.420 nan 0.000 0.216 152 P C 1.656 179.104 177.300 0.247 0.000 1.167 152 P CA 2.257 65.460 63.100 0.173 0.000 0.914 152 P CB -0.111 31.641 31.700 0.087 0.000 0.793 153 T N -3.934 110.696 114.554 0.126 0.000 2.759 153 T HA -0.274 4.079 4.350 0.004 0.000 0.269 153 T C 1.851 176.672 174.700 0.201 0.000 1.042 153 T CA 1.299 63.397 62.100 -0.004 0.000 1.140 153 T CB -1.565 66.989 68.868 -0.524 0.000 0.864 153 T HN 0.038 nan 8.240 nan 0.000 0.455 154 Y N 1.220 121.568 120.300 0.080 0.000 2.352 154 Y HA 0.214 4.766 4.550 0.004 0.000 0.292 154 Y C 2.065 178.012 175.900 0.078 0.000 1.136 154 Y CA 0.631 58.791 58.100 0.100 0.000 1.227 154 Y CB -0.212 38.303 38.460 0.092 0.000 0.991 154 Y HN 0.239 nan 8.280 nan 0.000 0.545 155 I N -0.505 120.183 120.570 0.198 0.000 2.584 155 I HA -0.183 3.990 4.170 0.004 0.000 0.255 155 I C 2.342 178.283 176.117 -0.293 0.000 1.145 155 I CA 1.101 62.389 61.300 -0.020 0.000 1.462 155 I CB -0.196 37.714 38.000 -0.150 0.000 1.102 155 I HN 0.232 nan 8.210 nan 0.000 0.433 156 E N 0.769 120.779 120.200 -0.318 0.000 2.051 156 E HA -0.194 4.158 4.350 0.004 0.000 0.192 156 E C 2.211 178.846 176.600 0.059 0.000 0.991 156 E CA 1.488 57.563 56.400 -0.542 0.000 0.799 156 E CB 0.147 29.317 29.700 -0.884 0.000 0.748 156 E HN 0.296 nan 8.360 nan 0.000 0.449 157 S N 0.600 116.440 115.700 0.234 0.000 2.402 157 S HA -0.096 4.376 4.470 0.004 0.000 0.229 157 S C 1.881 176.846 174.600 0.610 0.000 1.021 157 S CA 0.546 59.051 58.200 0.509 0.000 0.974 157 S CB -0.103 63.338 63.200 0.402 0.000 0.800 157 S HN 0.304 nan 8.310 nan 0.000 0.484 158 I N 0.218 121.026 120.570 0.397 0.000 2.127 158 I HA -0.195 3.978 4.170 0.004 0.000 0.241 158 I C 2.128 178.577 176.117 0.553 0.000 1.075 158 I CA 1.358 62.955 61.300 0.495 0.000 1.334 158 I CB -0.908 37.334 38.000 0.403 0.000 1.040 158 I HN 0.405 nan 8.210 nan 0.000 0.405 159 W N 0.412 121.834 121.300 0.204 0.000 2.318 159 W HA -0.250 4.412 4.660 0.004 0.000 0.313 159 W C 2.601 179.193 176.519 0.121 0.000 1.221 159 W CA 0.754 58.167 57.345 0.114 0.000 1.266 159 W CB -1.665 27.839 29.460 0.074 0.000 1.150 159 W HN 0.343 nan 8.180 nan 0.000 0.496 160 W N 2.080 123.568 121.300 0.312 0.000 2.318 160 W HA -0.323 4.339 4.660 0.004 0.000 0.313 160 W C 2.732 179.291 176.519 0.067 0.000 1.221 160 W CA 3.509 60.941 57.345 0.146 0.000 1.266 160 W CB -0.862 28.644 29.460 0.076 0.000 1.150 160 W HN -0.089 nan 8.180 nan 0.000 0.496 161 S N 0.528 116.175 115.700 -0.089 0.000 2.348 161 S HA -0.282 4.190 4.470 0.004 0.000 0.221 161 S C 2.020 176.416 174.600 -0.341 0.000 1.033 161 S CA 1.829 59.718 58.200 -0.518 0.000 1.010 161 S CB -1.177 62.092 63.200 0.115 0.000 0.891 161 S HN 0.433 nan 8.310 nan 0.000 0.442 162 L N 1.576 122.749 121.223 -0.084 0.000 2.042 162 L HA -0.117 4.226 4.340 0.004 0.000 0.210 162 L C 2.960 179.736 176.870 -0.157 0.000 1.076 162 L CA 1.999 56.757 54.840 -0.137 0.000 0.749 162 L CB -0.563 41.393 42.059 -0.172 0.000 0.893 162 L HN 0.424 nan 8.230 nan 0.000 0.432 163 K N 0.491 120.789 120.400 -0.171 0.000 2.147 163 K HA -0.233 4.090 4.320 0.004 0.000 0.205 163 K C 1.841 178.373 176.600 -0.115 0.000 1.049 163 K CA 1.727 57.944 56.287 -0.117 0.000 0.936 163 K CB -0.046 32.391 32.500 -0.105 0.000 0.722 163 K HN 0.235 nan 8.250 nan 0.000 0.446 164 N N 0.487 118.987 118.700 -0.333 0.000 2.039 164 N HA -0.160 4.583 4.740 0.004 0.000 0.193 164 N C 1.784 177.173 175.510 -0.202 0.000 1.044 164 N CA 1.513 54.332 53.050 -0.386 0.000 0.847 164 N CB -0.123 37.887 38.487 -0.795 0.000 1.030 164 N HN 0.134 nan 8.380 nan 0.000 0.422 165 L N -0.660 120.456 121.223 -0.177 0.000 2.079 165 L HA -0.165 4.178 4.340 0.004 0.000 0.210 165 L C 2.070 178.967 176.870 0.046 0.000 1.081 165 L CA 1.006 55.810 54.840 -0.061 0.000 0.752 165 L CB -0.575 41.458 42.059 -0.044 0.000 0.896 165 L HN 0.287 nan 8.230 nan 0.000 0.433 166 F N 1.535 121.434 119.950 -0.086 0.000 2.031 166 F HA -0.246 4.283 4.527 0.004 0.000 0.295 166 F C 2.210 178.007 175.800 -0.006 0.000 1.133 166 F CA 1.907 59.895 58.000 -0.021 0.000 1.188 166 F CB -0.329 38.633 39.000 -0.062 0.000 0.974 166 F HN 0.076 nan 8.300 nan 0.000 0.473 167 D N 0.124 120.577 120.400 0.089 0.000 2.203 167 D HA -0.189 4.453 4.640 0.004 0.000 0.199 167 D C 1.998 178.240 176.300 -0.097 0.000 0.997 167 D CA 1.320 55.303 54.000 -0.028 0.000 0.863 167 D CB -0.372 40.446 40.800 0.030 0.000 0.928 167 D HN 0.369 nan 8.370 nan 0.000 0.458 168 R N -0.457 119.998 120.500 -0.074 0.000 2.320 168 R HA 0.229 4.571 4.340 0.004 0.000 0.211 168 R C 1.145 177.408 176.300 -0.061 0.000 0.931 168 R CA 0.426 56.492 56.100 -0.056 0.000 1.071 168 R CB 0.186 30.469 30.300 -0.028 0.000 1.025 168 R HN 0.082 nan 8.270 nan 0.000 0.495 169 G N 1.270 109.995 108.800 -0.126 0.000 2.283 169 G HA2 -0.266 3.696 3.960 0.004 0.000 0.280 169 G HA3 -0.266 3.696 3.960 0.004 0.000 0.280 169 G C 0.441 175.341 174.900 0.001 0.000 1.029 169 G CA 0.160 45.190 45.100 -0.117 0.000 0.840 169 G HN 0.369 nan 8.290 nan 0.000 0.505 170 L N -1.564 119.698 121.223 0.065 0.000 2.664 170 L HA 0.455 4.798 4.340 0.004 0.000 0.233 170 L C 0.770 177.780 176.870 0.234 0.000 1.113 170 L CA -0.139 54.800 54.840 0.164 0.000 0.896 170 L CB 0.538 42.702 42.059 0.174 0.000 1.163 170 L HN 0.263 nan 8.230 nan 0.000 0.497 171 L N 0.879 122.241 121.223 0.233 0.000 2.345 171 L HA 0.403 4.746 4.340 0.004 0.000 0.274 171 L C -0.820 176.342 176.870 0.486 0.000 0.999 171 L CA -0.514 54.501 54.840 0.293 0.000 0.849 171 L CB 0.725 42.938 42.059 0.256 0.000 1.220 171 L HN 0.048 nan 8.230 nan 0.000 0.422 172 Y N 2.473 122.980 120.300 0.344 0.000 2.576 172 Y HA 0.713 5.266 4.550 0.004 0.000 0.346 172 Y C -0.679 175.208 175.900 -0.022 0.000 1.018 172 Y CA -1.428 56.800 58.100 0.213 0.000 1.050 172 Y CB 1.004 39.477 38.460 0.022 0.000 1.280 172 Y HN 0.625 nan 8.280 nan 0.000 0.474 173 R N 2.059 122.223 120.500 -0.561 0.000 2.404 173 R HA 0.498 4.840 4.340 0.004 0.000 0.291 173 R C -1.536 174.627 176.300 -0.229 0.000 1.025 173 R CA -0.135 55.350 56.100 -1.026 0.000 0.991 173 R CB 1.060 30.333 30.300 -1.712 0.000 1.053 173 R HN 0.997 nan 8.270 nan 0.000 0.479 174 D N -0.617 119.732 120.400 -0.084 0.000 2.825 174 D HA 0.221 4.863 4.640 0.004 0.000 0.327 174 D C -1.726 174.664 176.300 0.150 0.000 1.277 174 D CA -0.295 53.768 54.000 0.105 0.000 0.950 174 D CB 1.202 42.119 40.800 0.195 0.000 1.438 174 D HN 0.593 nan 8.370 nan 0.000 0.526 175 H N 0.575 119.672 119.070 0.045 0.000 2.600 175 H HA 0.288 4.846 4.556 0.004 0.000 0.224 175 H C -1.018 174.324 175.328 0.024 0.000 1.413 175 H CA -0.293 55.773 56.048 0.031 0.000 1.401 175 H CB 0.238 29.986 29.762 -0.023 0.000 1.772 175 H HN 0.372 nan 8.280 nan 0.000 0.528 176 K N -0.121 120.368 120.400 0.149 0.000 2.316 176 K HA 0.579 4.902 4.320 0.004 0.000 0.234 176 K C -0.490 176.169 176.600 0.100 0.000 1.054 176 K CA -1.209 55.146 56.287 0.113 0.000 0.879 176 K CB 1.602 34.139 32.500 0.062 0.000 1.252 176 K HN -0.081 nan 8.250 nan 0.000 0.471 177 V N 2.052 122.020 119.914 0.091 0.000 2.521 177 V HA 0.162 4.284 4.120 0.004 0.000 0.286 177 V C 0.157 176.396 176.094 0.242 0.000 1.034 177 V CA -0.161 62.223 62.300 0.140 0.000 1.045 177 V CB 0.422 32.313 31.823 0.113 0.000 0.974 177 V HN 0.614 nan 8.190 nan 0.000 0.480 178 V N 3.933 124.023 119.914 0.293 0.000 3.167 178 V HA 0.762 4.884 4.120 0.004 0.000 0.310 178 V C -2.997 173.252 176.094 0.258 0.000 1.207 178 V CA -2.961 59.524 62.300 0.308 0.000 1.059 178 V CB 2.295 34.265 31.823 0.245 0.000 1.079 178 V HN 0.590 nan 8.190 nan 0.000 0.446 179 P HA 0.420 nan 4.420 nan 0.000 0.280 179 P C -1.862 175.468 177.300 0.050 0.000 1.244 179 P CA 0.287 63.296 63.100 -0.152 0.000 0.784 179 P CB 0.157 31.761 31.700 -0.159 0.000 0.913 180 Y N 2.564 122.775 120.300 -0.150 0.000 2.386 180 Y HA 0.409 4.961 4.550 0.004 0.000 0.334 180 Y C -0.989 174.853 175.900 -0.096 0.000 1.002 180 Y CA -0.917 57.133 58.100 -0.083 0.000 1.068 180 Y CB 1.246 39.661 38.460 -0.076 0.000 1.203 180 Y HN 0.394 nan 8.280 nan 0.000 0.443 181 c N 10.084 128.454 118.600 -0.384 0.000 2.281 181 c HA 0.386 4.959 4.570 0.004 0.000 0.336 181 c C -1.205 172.670 174.090 -0.358 0.000 1.217 181 c CA -1.992 54.206 56.329 -0.217 0.000 1.730 181 c CB 0.088 42.514 42.510 -0.141 0.000 2.338 181 c HN 0.792 nan 8.230 nan 0.000 0.521 182 P HA -0.115 nan 4.420 nan 0.000 0.220 182 P C 1.420 178.779 177.300 0.099 0.000 1.152 182 P CA 1.160 64.376 63.100 0.192 0.000 0.812 182 P CB 0.149 32.043 31.700 0.324 0.000 0.792 183 R N 0.753 121.287 120.500 0.056 0.000 2.073 183 R HA -0.026 4.317 4.340 0.004 0.000 0.229 183 R C 1.936 178.212 176.300 -0.039 0.000 1.120 183 R CA 2.140 58.245 56.100 0.008 0.000 0.967 183 R CB -1.762 28.534 30.300 -0.008 0.000 0.862 183 R HN 0.087 nan 8.270 nan 0.000 0.436 184 c N 0.186 118.738 118.600 -0.079 0.000 2.464 184 c HA 0.411 4.984 4.570 0.004 0.000 0.278 184 c C 1.352 175.367 174.090 -0.126 0.000 1.375 184 c CA 0.259 56.535 56.329 -0.089 0.000 1.761 184 c CB -1.106 41.350 42.510 -0.090 0.000 1.944 184 c HN 0.786 nan 8.230 nan 0.000 0.509 185 G N 1.197 109.851 108.800 -0.244 0.000 2.353 185 G HA2 -0.044 3.919 3.960 0.004 0.000 0.294 185 G HA3 -0.044 3.919 3.960 0.004 0.000 0.294 185 G C -0.103 174.590 174.900 -0.345 0.000 1.077 185 G CA 0.606 45.548 45.100 -0.263 0.000 1.098 185 G HN 0.699 nan 8.290 nan 0.000 0.511 186 T N 0.107 114.186 114.554 -0.791 0.000 2.907 186 T HA 0.598 4.950 4.350 0.004 0.000 0.344 186 T C -3.025 171.435 174.700 -0.399 0.000 1.675 186 T CA -0.132 61.748 62.100 -0.366 0.000 1.076 186 T CB 2.382 71.175 68.868 -0.125 0.000 1.483 186 T HN 0.139 nan 8.240 nan 0.000 0.487 187 P HA 0.547 nan 4.420 nan 0.000 0.276 187 P C -0.783 176.536 177.300 0.031 0.000 1.252 187 P CA -0.527 62.629 63.100 0.093 0.000 0.802 187 P CB 1.042 32.827 31.700 0.142 0.000 1.035 188 L N 0.131 121.379 121.223 0.042 0.000 2.230 188 L HA 0.496 4.839 4.340 0.004 0.000 0.255 188 L C 0.928 177.810 176.870 0.020 0.000 1.039 188 L CA -0.903 53.966 54.840 0.049 0.000 0.846 188 L CB 1.767 43.857 42.059 0.051 0.000 1.419 188 L HN 0.440 nan 8.230 nan 0.000 0.435 189 S N -1.788 113.866 115.700 -0.076 0.000 2.722 189 S HA 0.264 4.737 4.470 0.004 0.000 0.292 189 S C 0.824 175.324 174.600 -0.166 0.000 1.135 189 S CA -0.077 58.024 58.200 -0.165 0.000 1.003 189 S CB 1.586 64.436 63.200 -0.584 0.000 1.067 189 S HN 0.665 nan 8.310 nan 0.000 0.546 190 S N 0.492 116.184 115.700 -0.013 0.000 2.399 190 S HA -0.221 4.251 4.470 0.004 0.000 0.231 190 S C 1.605 176.378 174.600 0.288 0.000 1.022 190 S CA 1.548 59.852 58.200 0.175 0.000 0.983 190 S CB -1.272 62.049 63.200 0.202 0.000 0.803 190 S HN 0.994 nan 8.310 nan 0.000 0.480 191 H N 1.010 120.205 119.070 0.209 0.000 2.333 191 H HA 0.264 4.822 4.556 0.004 0.000 0.302 191 H C 2.026 177.108 175.328 -0.411 0.000 1.075 191 H CA 1.089 57.009 56.048 -0.214 0.000 1.348 191 H CB -0.652 28.701 29.762 -0.682 0.000 1.393 191 H HN 0.378 nan 8.280 nan 0.000 0.509 192 E N 0.741 120.617 120.200 -0.539 0.000 2.118 192 E HA -0.134 4.219 4.350 0.004 0.000 0.195 192 E C 2.252 178.652 176.600 -0.334 0.000 0.992 192 E CA 1.364 57.343 56.400 -0.701 0.000 0.804 192 E CB 0.034 29.360 29.700 -0.623 0.000 0.741 192 E HN 0.319 nan 8.360 nan 0.000 0.458 193 V N 0.954 120.780 119.914 -0.146 0.000 2.358 193 V HA -0.264 3.858 4.120 0.004 0.000 0.246 193 V C 2.272 178.414 176.094 0.080 0.000 1.047 193 V CA 1.704 63.972 62.300 -0.053 0.000 1.035 193 V CB -0.712 31.093 31.823 -0.030 0.000 0.658 193 V HN 0.344 nan 8.190 nan 0.000 0.452 194 A N -0.158 122.768 122.820 0.176 0.000 1.940 194 A HA -0.182 4.141 4.320 0.004 0.000 0.219 194 A C 2.091 179.784 177.584 0.182 0.000 1.176 194 A CA 1.731 53.936 52.037 0.280 0.000 0.631 194 A CB -0.518 18.569 19.000 0.146 0.000 0.814 194 A HN 0.410 nan 8.150 nan 0.000 0.446 195 L N -0.761 120.473 121.223 0.019 0.000 2.141 195 L HA 0.001 4.344 4.340 0.004 0.000 0.209 195 L C 2.127 179.099 176.870 0.169 0.000 1.094 195 L CA 1.678 56.545 54.840 0.045 0.000 0.763 195 L CB -1.113 40.919 42.059 -0.046 0.000 0.908 195 L HN 0.408 nan 8.230 nan 0.000 0.437 196 G N -2.654 106.252 108.800 0.177 0.000 3.959 196 G HA2 0.062 4.024 3.960 0.004 0.000 0.298 196 G HA3 0.062 4.024 3.960 0.004 0.000 0.298 196 G C -0.348 174.614 174.900 0.103 0.000 1.211 196 G CA -0.324 44.879 45.100 0.172 0.000 1.001 196 G HN 0.052 nan 8.290 nan 0.000 0.561 197 Y N 0.611 120.963 120.300 0.087 0.000 2.397 197 Y HA 0.448 5.002 4.550 0.006 0.000 0.335 197 Y C 0.734 176.658 175.900 0.041 0.000 1.213 197 Y CA 0.250 58.407 58.100 0.095 0.000 1.391 197 Y CB 1.184 39.688 38.460 0.072 0.000 1.293 197 Y HN 0.107 nan 8.280 nan 0.000 0.557 198 K N 2.238 122.735 120.400 0.161 0.000 2.569 198 K HA 0.153 4.476 4.320 0.004 0.000 0.259 198 K C -1.338 175.306 176.600 0.074 0.000 0.932 198 K CA -0.716 55.534 56.287 -0.061 0.000 0.833 198 K CB 1.371 33.520 32.500 -0.585 0.000 1.340 198 K HN 0.747 nan 8.250 nan 0.000 0.429 199 E N 4.285 124.510 120.200 0.042 0.000 2.452 199 E HA 0.090 4.443 4.350 0.004 0.000 0.261 199 E C -0.936 175.719 176.600 0.091 0.000 0.987 199 E CA 0.149 56.585 56.400 0.060 0.000 0.926 199 E CB 0.605 30.327 29.700 0.037 0.000 0.934 199 E HN 0.494 nan 8.360 nan 0.000 0.452 200 I N 2.692 123.310 120.570 0.079 0.000 3.006 200 I HA 0.170 4.343 4.170 0.004 0.000 0.306 200 I C -1.575 174.599 176.117 0.094 0.000 1.250 200 I CA -0.854 60.508 61.300 0.103 0.000 0.996 200 I CB 2.204 40.278 38.000 0.123 0.000 1.261 200 I HN 0.534 nan 8.210 nan 0.000 0.442 201 Q N 4.214 124.067 119.800 0.087 0.000 2.290 201 Q HA 0.408 4.751 4.340 0.004 0.000 0.259 201 Q C -1.793 174.266 176.000 0.098 0.000 0.941 201 Q CA -0.156 55.706 55.803 0.097 0.000 0.912 201 Q CB 1.216 29.994 28.738 0.067 0.000 1.244 201 Q HN 0.445 nan 8.270 nan 0.000 0.441 202 D N 4.033 124.521 120.400 0.147 0.000 2.547 202 D HA 0.435 5.077 4.640 0.004 0.000 0.231 202 D C -2.663 173.681 176.300 0.073 0.000 1.099 202 D CA -1.533 52.537 54.000 0.117 0.000 0.901 202 D CB 2.109 43.026 40.800 0.196 0.000 1.478 202 D HN 0.394 nan 8.370 nan 0.000 0.471 203 P HA 0.100 nan 4.420 nan 0.000 0.282 203 P C -0.526 176.653 177.300 -0.201 0.000 1.262 203 P CA -0.308 62.757 63.100 -0.058 0.000 0.773 203 P CB 0.827 32.493 31.700 -0.058 0.000 0.879 204 S N 3.495 119.083 115.700 -0.187 0.000 2.464 204 S HA 0.384 4.856 4.470 0.004 0.000 0.313 204 S C 0.020 174.404 174.600 -0.360 0.000 1.078 204 S CA -0.582 57.365 58.200 -0.422 0.000 1.096 204 S CB -0.928 62.215 63.200 -0.094 0.000 1.032 204 S HN 0.326 nan 8.310 nan 0.000 0.498 205 V N 3.568 123.161 119.914 -0.535 0.000 2.715 205 V HA 0.706 4.829 4.120 0.004 0.000 0.310 205 V C -1.611 174.244 176.094 -0.398 0.000 1.054 205 V CA -0.955 61.162 62.300 -0.305 0.000 0.928 205 V CB 1.193 32.922 31.823 -0.157 0.000 1.007 205 V HN 0.656 nan 8.190 nan 0.000 0.437 206 Y N 2.687 123.060 120.300 0.123 0.000 2.464 206 Y HA 0.682 5.234 4.550 0.003 0.000 0.326 206 Y C 0.104 176.092 175.900 0.146 0.000 0.969 206 Y CA -0.693 57.499 58.100 0.154 0.000 1.270 206 Y CB 1.759 40.348 38.460 0.214 0.000 1.103 206 Y HN 0.590 nan 8.280 nan 0.000 0.491 207 V N 4.357 124.378 119.914 0.180 0.000 2.539 207 V HA 0.514 4.637 4.120 0.004 0.000 0.292 207 V C -0.098 176.118 176.094 0.203 0.000 1.045 207 V CA -1.150 61.266 62.300 0.192 0.000 0.945 207 V CB 1.602 33.531 31.823 0.177 0.000 0.993 207 V HN 0.706 nan 8.190 nan 0.000 0.464 208 R N 2.477 123.130 120.500 0.255 0.000 2.312 208 R HA 0.592 4.935 4.340 0.004 0.000 0.311 208 R C -1.609 174.922 176.300 0.386 0.000 1.004 208 R CA -0.442 55.802 56.100 0.240 0.000 0.902 208 R CB 0.784 31.195 30.300 0.185 0.000 1.073 208 R HN 0.382 nan 8.270 nan 0.000 0.457 209 F N 4.627 124.543 119.950 -0.056 0.000 2.311 209 F HA 0.386 4.916 4.527 0.005 0.000 0.371 209 F C -1.988 173.806 175.800 -0.010 0.000 1.083 209 F CA -3.072 54.878 58.000 -0.083 0.000 1.113 209 F CB 1.467 40.285 39.000 -0.305 0.000 1.349 209 F HN 0.487 nan 8.300 nan 0.000 0.470 210 P HA 0.084 nan 4.420 nan 0.000 0.275 210 P C -0.519 176.866 177.300 0.141 0.000 1.228 210 P CA -0.280 62.886 63.100 0.110 0.000 0.786 210 P CB 1.415 33.148 31.700 0.054 0.000 0.927 211 L N 3.483 124.778 121.223 0.120 0.000 2.418 211 L HA 0.230 4.573 4.340 0.004 0.000 0.265 211 L C 1.829 178.739 176.870 0.066 0.000 1.143 211 L CA 0.083 54.993 54.840 0.116 0.000 0.809 211 L CB 0.225 42.337 42.059 0.087 0.000 1.124 211 L HN 0.491 nan 8.230 nan 0.000 0.456 212 K N 0.611 121.039 120.400 0.047 0.000 2.211 212 K HA 0.039 4.361 4.320 0.004 0.000 0.201 212 K C -0.264 176.345 176.600 0.014 0.000 1.052 212 K CA 0.662 56.958 56.287 0.015 0.000 0.973 212 K CB 0.527 33.024 32.500 -0.005 0.000 0.766 212 K HN 0.471 nan 8.250 nan 0.000 0.466 213 E N 1.007 121.217 120.200 0.018 0.000 2.916 213 E HA 0.110 4.463 4.350 0.004 0.000 0.217 213 E C -2.181 174.429 176.600 0.017 0.000 1.100 213 E CA -1.624 54.784 56.400 0.012 0.000 0.891 213 E CB 1.285 30.987 29.700 0.003 0.000 1.311 213 E HN 0.110 nan 8.360 nan 0.000 0.421 214 P HA -0.167 nan 4.420 nan 0.000 0.220 214 P C 0.862 178.186 177.300 0.040 0.000 1.152 214 P CA 0.945 64.067 63.100 0.038 0.000 0.812 214 P CB 0.406 32.135 31.700 0.048 0.000 0.792 215 K N 0.536 120.956 120.400 0.032 0.000 2.442 215 K HA -0.069 4.253 4.320 0.004 0.000 0.198 215 K C 1.875 178.494 176.600 0.031 0.000 1.042 215 K CA 1.119 57.426 56.287 0.035 0.000 0.958 215 K CB -0.850 31.666 32.500 0.027 0.000 0.766 215 K HN 0.012 nan 8.250 nan 0.000 0.474 216 K N 0.358 120.769 120.400 0.018 0.000 2.439 216 K HA 0.098 4.421 4.320 0.004 0.000 0.197 216 K C 0.452 177.054 176.600 0.004 0.000 1.041 216 K CA 0.596 56.885 56.287 0.004 0.000 0.970 216 K CB 0.212 32.704 32.500 -0.013 0.000 0.773 216 K HN 0.109 nan 8.250 nan 0.000 0.479 217 L N -0.249 120.990 121.223 0.028 0.000 3.014 217 L HA 0.323 4.665 4.340 0.004 0.000 0.263 217 L C 0.370 177.336 176.870 0.161 0.000 1.207 217 L CA 0.529 55.418 54.840 0.083 0.000 1.017 217 L CB -0.077 41.999 42.059 0.030 0.000 1.360 217 L HN 0.317 nan 8.230 nan 0.000 0.560 218 G N 1.598 110.456 108.800 0.096 0.000 2.350 218 G HA2 -0.266 3.697 3.960 0.004 0.000 0.298 218 G HA3 -0.266 3.697 3.960 0.004 0.000 0.298 218 G C -0.193 174.759 174.900 0.086 0.000 1.037 218 G CA 0.389 45.538 45.100 0.082 0.000 1.074 218 G HN 0.317 nan 8.290 nan 0.000 0.511 219 L N -1.283 119.988 121.223 0.079 0.000 2.393 219 L HA 0.526 4.868 4.340 0.004 0.000 0.260 219 L C 0.968 177.873 176.870 0.058 0.000 1.002 219 L CA -1.250 53.637 54.840 0.078 0.000 0.818 219 L CB 1.585 43.709 42.059 0.109 0.000 1.369 219 L HN 0.070 nan 8.230 nan 0.000 0.412 220 E N 0.647 120.879 120.200 0.053 0.000 2.045 220 E HA 0.119 4.472 4.350 0.004 0.000 0.190 220 E C -0.212 176.416 176.600 0.046 0.000 0.968 220 E CA 0.863 57.288 56.400 0.043 0.000 0.813 220 E CB 0.422 30.144 29.700 0.037 0.000 0.780 220 E HN 0.259 nan 8.360 nan 0.000 0.455 221 K N 0.097 120.530 120.400 0.055 0.000 2.471 221 K HA 0.677 4.999 4.320 0.004 0.000 0.252 221 K C -1.066 175.579 176.600 0.076 0.000 0.938 221 K CA -0.611 55.711 56.287 0.058 0.000 0.796 221 K CB 2.396 34.928 32.500 0.054 0.000 1.161 221 K HN 0.055 nan 8.250 nan 0.000 0.425 222 A N 1.305 124.173 122.820 0.080 0.000 2.517 222 A HA 0.722 5.044 4.320 0.004 0.000 0.297 222 A C -1.134 176.508 177.584 0.096 0.000 1.050 222 A CA -0.549 51.547 52.037 0.098 0.000 0.694 222 A CB 1.459 20.527 19.000 0.113 0.000 1.277 222 A HN 0.446 nan 8.150 nan 0.000 0.400 223 S N 1.061 116.821 115.700 0.100 0.000 2.547 223 S HA 0.616 5.088 4.470 0.004 0.000 0.281 223 S C -0.575 174.067 174.600 0.070 0.000 1.118 223 S CA -0.536 57.722 58.200 0.096 0.000 0.947 223 S CB 1.105 64.366 63.200 0.103 0.000 1.053 223 S HN 0.618 nan 8.310 nan 0.000 0.482 224 L N 2.964 124.219 121.223 0.052 0.000 2.380 224 L HA 0.414 4.757 4.340 0.004 0.000 0.273 224 L C -0.248 176.589 176.870 -0.055 0.000 1.138 224 L CA -0.326 54.497 54.840 -0.029 0.000 0.832 224 L CB 0.239 42.238 42.059 -0.100 0.000 1.124 224 L HN 0.397 nan 8.230 nan 0.000 0.454 225 L N 4.251 125.416 121.223 -0.097 0.000 2.257 225 L HA 0.431 4.774 4.340 0.004 0.000 0.290 225 L C -0.409 176.402 176.870 -0.098 0.000 1.044 225 L CA -0.568 54.211 54.840 -0.102 0.000 0.810 225 L CB 1.421 43.358 42.059 -0.203 0.000 1.193 225 L HN 0.498 nan 8.230 nan 0.000 0.425 226 I N 4.948 125.442 120.570 -0.127 0.000 2.577 226 I HA 0.386 4.559 4.170 0.004 0.000 0.305 226 I C -0.555 175.599 176.117 0.063 0.000 0.986 226 I CA -0.103 61.102 61.300 -0.159 0.000 1.189 226 I CB 1.569 39.260 38.000 -0.517 0.000 1.355 226 I HN 0.508 nan 8.210 nan 0.000 0.476 227 W N 5.971 127.173 121.300 -0.163 0.000 2.819 227 W HA 0.742 5.406 4.660 0.006 0.000 0.337 227 W C -1.498 174.870 176.519 -0.251 0.000 1.077 227 W CA -0.716 56.449 57.345 -0.300 0.000 1.226 227 W CB 1.837 31.103 29.460 -0.324 0.000 1.419 227 W HN 0.543 nan 8.180 nan 0.000 0.502 228 T N 1.749 115.778 114.554 -0.874 0.000 2.827 228 T HA 0.289 4.642 4.350 0.004 0.000 0.328 228 T C -0.008 174.122 174.700 -0.949 0.000 1.598 228 T CA 0.255 61.889 62.100 -0.775 0.000 1.043 228 T CB 1.097 69.790 68.868 -0.293 0.000 1.447 228 T HN 0.521 nan 8.240 nan 0.000 0.491 229 T N -1.076 113.062 114.554 -0.693 0.000 3.170 229 T HA 0.288 4.641 4.350 0.004 0.000 0.288 229 T C 0.711 175.273 174.700 -0.231 0.000 0.992 229 T CA 0.515 62.310 62.100 -0.508 0.000 0.909 229 T CB 0.052 68.626 68.868 -0.489 0.000 1.133 229 T HN 0.758 nan 8.240 nan 0.000 0.530 230 T N 0.575 114.973 114.554 -0.260 0.000 3.630 230 T HA 0.447 4.799 4.350 0.004 0.000 0.238 230 T C -2.140 172.270 174.700 -0.482 0.000 1.195 230 T CA -1.256 60.654 62.100 -0.315 0.000 1.433 230 T CB 0.595 69.247 68.868 -0.359 0.000 0.940 230 T HN -0.145 nan 8.240 nan 0.000 0.641 231 P HA -0.139 nan 4.420 nan 0.000 0.218 231 P C 1.661 178.806 177.300 -0.259 0.000 1.152 231 P CA 1.377 64.359 63.100 -0.197 0.000 0.857 231 P CB -0.235 31.404 31.700 -0.102 0.000 0.787 232 W N -0.200 120.989 121.300 -0.185 0.000 2.632 232 W HA -0.046 4.616 4.660 0.004 0.000 0.248 232 W C 0.723 177.101 176.519 -0.235 0.000 1.259 232 W CA 1.669 58.866 57.345 -0.247 0.000 1.288 232 W CB -2.317 27.019 29.460 -0.206 0.000 1.136 232 W HN 0.112 nan 8.180 nan 0.000 0.640 233 T N -1.784 112.282 114.554 -0.814 0.000 3.057 233 T HA 0.062 4.414 4.350 0.004 0.000 0.254 233 T C 1.991 176.715 174.700 0.039 0.000 1.094 233 T CA 0.303 62.116 62.100 -0.479 0.000 1.088 233 T CB -0.666 67.902 68.868 -0.499 0.000 0.934 233 T HN 0.139 nan 8.240 nan 0.000 0.497 234 L N 1.149 122.314 121.223 -0.096 0.000 2.034 234 L HA -0.062 4.281 4.340 0.004 0.000 0.217 234 L C -0.556 176.366 176.870 0.086 0.000 1.077 234 L CA 1.648 56.419 54.840 -0.115 0.000 0.769 234 L CB -1.715 40.319 42.059 -0.043 0.000 0.890 234 L HN 0.223 nan 8.230 nan 0.000 0.435 235 P HA -0.109 nan 4.420 nan 0.000 0.234 235 P C 0.941 178.388 177.300 0.245 0.000 1.162 235 P CA 1.436 64.623 63.100 0.145 0.000 0.759 235 P CB -0.090 31.627 31.700 0.030 0.000 0.813 236 G N -1.661 107.314 108.800 0.291 0.000 3.377 236 G HA2 0.000 3.963 3.960 0.004 0.000 0.257 236 G HA3 0.000 3.963 3.960 0.004 0.000 0.257 236 G C 0.198 175.281 174.900 0.304 0.000 1.038 236 G CA -0.149 45.136 45.100 0.309 0.000 0.809 236 G HN 0.234 nan 8.290 nan 0.000 0.526 237 N N 0.488 119.428 118.700 0.400 0.000 2.458 237 N HA 0.199 4.942 4.740 0.004 0.000 0.258 237 N C 1.032 176.733 175.510 0.318 0.000 1.219 237 N CA 0.683 54.025 53.050 0.487 0.000 0.902 237 N CB 1.219 39.957 38.487 0.419 0.000 1.076 237 N HN 0.131 nan 8.380 nan 0.000 0.455 238 V N -0.070 119.925 119.914 0.135 0.000 3.372 238 V HA 0.746 4.869 4.120 0.004 0.000 0.304 238 V C 0.067 176.005 176.094 -0.260 0.000 1.530 238 V CA 0.368 62.538 62.300 -0.217 0.000 1.080 238 V CB -0.862 30.817 31.823 -0.240 0.000 0.929 238 V HN 0.794 nan 8.190 nan 0.000 0.455 239 A N -0.096 122.725 122.820 0.002 0.000 2.490 239 A HA 0.963 5.286 4.320 0.004 0.000 0.292 239 A C -1.027 176.598 177.584 0.068 0.000 1.047 239 A CA -0.144 51.828 52.037 -0.109 0.000 0.632 239 A CB 0.691 19.475 19.000 -0.360 0.000 1.323 239 A HN 1.898 nan 8.150 nan 0.000 0.448 240 A N -0.518 122.274 122.820 -0.046 0.000 2.427 240 A HA 0.927 5.249 4.320 0.004 0.000 0.298 240 A C -0.317 177.163 177.584 -0.173 0.000 1.036 240 A CA 0.223 52.176 52.037 -0.140 0.000 0.701 240 A CB 1.106 19.931 19.000 -0.291 0.000 1.250 240 A HN 2.528 nan 8.150 nan 0.000 0.412 241 A N 1.373 124.088 122.820 -0.176 0.000 2.337 241 A HA 0.855 5.178 4.320 0.004 0.000 0.329 241 A C -0.140 177.325 177.584 -0.198 0.000 1.146 241 A CA -0.151 51.774 52.037 -0.187 0.000 0.800 241 A CB 1.035 19.921 19.000 -0.189 0.000 1.220 241 A HN 2.205 nan 8.150 nan 0.000 0.472 242 V N -0.179 119.626 119.914 -0.182 0.000 3.007 242 V HA 0.556 4.678 4.120 0.004 0.000 0.311 242 V C -0.412 175.626 176.094 -0.095 0.000 1.120 242 V CA -0.742 61.479 62.300 -0.131 0.000 0.980 242 V CB 1.328 33.034 31.823 -0.196 0.000 1.033 242 V HN 1.031 nan 8.190 nan 0.000 0.429 243 H N 5.158 124.056 119.070 -0.288 0.000 2.723 243 H HA 0.411 4.969 4.556 0.004 0.000 0.294 243 H C -1.542 173.648 175.328 -0.230 0.000 1.079 243 H CA -1.947 53.819 56.048 -0.470 0.000 1.411 243 H CB 2.194 31.271 29.762 -1.141 0.000 1.439 243 H HN 0.587 nan 8.280 nan 0.000 0.474 244 P HA -0.238 nan 4.420 nan 0.000 0.219 244 P C 0.018 177.444 177.300 0.210 0.000 1.145 244 P CA 1.436 64.662 63.100 0.211 0.000 0.813 244 P CB 0.290 32.075 31.700 0.142 0.000 0.771 245 E N -2.514 117.821 120.200 0.225 0.000 2.501 245 E HA 0.080 4.432 4.350 0.004 0.000 0.201 245 E C -0.124 176.536 176.600 0.099 0.000 1.016 245 E CA -0.291 56.163 56.400 0.090 0.000 0.920 245 E CB 0.052 29.790 29.700 0.065 0.000 1.023 245 E HN 0.268 nan 8.360 nan 0.000 0.474 246 Y N 1.404 121.529 120.300 -0.293 0.000 2.376 246 Y HA 0.227 4.780 4.550 0.006 0.000 0.325 246 Y C 0.927 176.538 175.900 -0.481 0.000 1.199 246 Y CA -2.033 55.786 58.100 -0.467 0.000 1.206 246 Y CB 0.999 39.035 38.460 -0.706 0.000 1.229 246 Y HN -0.207 nan 8.280 nan 0.000 0.480 247 T N -0.052 114.344 114.554 -0.265 0.000 2.753 247 T HA 0.505 4.858 4.350 0.004 0.000 0.297 247 T C -1.043 173.534 174.700 -0.205 0.000 0.981 247 T CA -0.624 61.377 62.100 -0.165 0.000 0.956 247 T CB -0.466 68.340 68.868 -0.103 0.000 0.936 247 T HN 0.272 nan 8.240 nan 0.000 0.463 248 Y N 2.055 122.448 120.300 0.155 0.000 2.326 248 Y HA 0.601 5.154 4.550 0.005 0.000 0.337 248 Y C 0.722 176.674 175.900 0.085 0.000 1.023 248 Y CA -0.953 57.258 58.100 0.186 0.000 1.143 248 Y CB 1.045 39.666 38.460 0.269 0.000 1.183 248 Y HN 0.983 nan 8.280 nan 0.000 0.485 249 A N 2.195 125.157 122.820 0.238 0.000 2.242 249 A HA 0.897 5.219 4.320 0.004 0.000 0.304 249 A C -0.664 176.998 177.584 0.130 0.000 1.100 249 A CA -0.447 51.568 52.037 -0.037 0.000 0.860 249 A CB 0.428 19.249 19.000 -0.299 0.000 1.168 249 A HN 0.817 nan 8.150 nan 0.000 0.503 250 A N 0.336 123.102 122.820 -0.090 0.000 2.311 250 A HA 0.680 5.002 4.320 0.004 0.000 0.306 250 A C -1.197 176.399 177.584 0.019 0.000 1.189 250 A CA -0.357 51.750 52.037 0.117 0.000 0.791 250 A CB 0.030 19.082 19.000 0.087 0.000 1.172 250 A HN 0.538 nan 8.150 nan 0.000 0.481 251 F N 0.974 120.929 119.950 0.010 0.000 2.421 251 F HA 0.384 4.913 4.527 0.003 0.000 0.337 251 F C 0.912 176.724 175.800 0.021 0.000 1.105 251 F CA -0.512 57.489 58.000 0.002 0.000 1.049 251 F CB 1.710 40.702 39.000 -0.013 0.000 1.139 251 F HN 0.601 nan 8.300 nan 0.000 0.479 252 Q N 3.949 123.851 119.800 0.169 0.000 2.369 252 Q HA 0.347 4.690 4.340 0.004 0.000 0.247 252 Q C -1.146 174.936 176.000 0.138 0.000 1.083 252 Q CA -0.324 55.551 55.803 0.120 0.000 0.905 252 Q CB 0.685 29.462 28.738 0.066 0.000 1.305 252 Q HN 0.653 nan 8.270 nan 0.000 0.465 253 V N 1.894 121.895 119.914 0.144 0.000 2.384 253 V HA 0.778 4.900 4.120 0.004 0.000 0.287 253 V C 0.799 176.961 176.094 0.113 0.000 1.020 253 V CA 0.260 62.648 62.300 0.147 0.000 0.850 253 V CB 0.711 32.658 31.823 0.207 0.000 0.987 253 V HN 0.918 nan 8.190 nan 0.000 0.436 254 G N 5.155 114.007 108.800 0.086 0.000 2.665 254 G HA2 -0.351 3.612 3.960 0.004 0.000 0.326 254 G HA3 -0.351 3.612 3.960 0.004 0.000 0.326 254 G C 0.122 175.058 174.900 0.060 0.000 1.231 254 G CA 1.051 46.189 45.100 0.064 0.000 0.992 254 G HN 0.971 nan 8.290 nan 0.000 0.549 255 D N 2.374 122.809 120.400 0.058 0.000 2.894 255 D HA 0.489 5.132 4.640 0.004 0.000 0.273 255 D C 0.423 176.758 176.300 0.060 0.000 1.328 255 D CA 0.659 54.690 54.000 0.052 0.000 0.845 255 D CB 0.238 41.062 40.800 0.040 0.000 1.072 255 D HN 0.830 nan 8.370 nan 0.000 0.484 256 E N -1.404 118.841 120.200 0.075 0.000 2.439 256 E HA 0.709 5.062 4.350 0.004 0.000 0.279 256 E C -1.653 175.008 176.600 0.102 0.000 1.077 256 E CA -1.430 55.021 56.400 0.084 0.000 0.849 256 E CB 0.883 30.636 29.700 0.088 0.000 1.408 256 E HN -0.073 nan 8.360 nan 0.000 0.457 257 A N 1.477 124.362 122.820 0.109 0.000 2.318 257 A HA 0.631 4.954 4.320 0.004 0.000 0.324 257 A C -0.890 176.780 177.584 0.143 0.000 1.170 257 A CA -0.788 51.330 52.037 0.134 0.000 0.810 257 A CB 0.675 19.754 19.000 0.132 0.000 1.198 257 A HN 0.506 nan 8.150 nan 0.000 0.484 258 L N 3.921 125.242 121.223 0.164 0.000 2.262 258 L HA 0.381 4.723 4.340 0.004 0.000 0.288 258 L C -0.638 176.335 176.870 0.172 0.000 1.035 258 L CA -0.194 54.705 54.840 0.098 0.000 0.820 258 L CB 0.845 42.879 42.059 -0.041 0.000 1.204 258 L HN 0.598 nan 8.230 nan 0.000 0.424 259 I N 6.095 126.753 120.570 0.147 0.000 2.342 259 I HA 0.448 4.620 4.170 0.004 0.000 0.291 259 I C -0.131 176.045 176.117 0.098 0.000 1.010 259 I CA -0.371 61.052 61.300 0.205 0.000 1.308 259 I CB 0.917 39.042 38.000 0.207 0.000 1.400 259 I HN 0.507 nan 8.210 nan 0.000 0.488 260 L N 2.633 123.969 121.223 0.189 0.000 2.869 260 L HA 0.495 4.838 4.340 0.004 0.000 0.265 260 L C -0.552 176.576 176.870 0.431 0.000 1.011 260 L CA -1.083 53.847 54.840 0.151 0.000 0.913 260 L CB 1.476 43.502 42.059 -0.054 0.000 1.490 260 L HN 0.354 nan 8.230 nan 0.000 0.410 261 E N 2.067 122.590 120.200 0.539 0.000 2.558 261 E HA -0.078 4.274 4.350 0.004 0.000 0.255 261 E C -0.494 176.210 176.600 0.172 0.000 0.968 261 E CA 0.379 56.994 56.400 0.358 0.000 0.939 261 E CB 0.743 30.580 29.700 0.229 0.000 0.921 261 E HN 0.676 nan 8.360 nan 0.000 0.477 262 E N 2.998 123.284 120.200 0.143 0.000 2.417 262 E HA 0.119 4.471 4.350 0.004 0.000 0.261 262 E C 0.617 177.251 176.600 0.057 0.000 1.000 262 E CA 0.768 57.278 56.400 0.183 0.000 0.919 262 E CB 0.171 29.910 29.700 0.065 0.000 0.955 262 E HN 0.779 nan 8.360 nan 0.000 0.455 263 G N 4.391 113.238 108.800 0.077 0.000 2.953 263 G HA2 -0.248 3.715 3.960 0.004 0.000 0.201 263 G HA3 -0.248 3.715 3.960 0.004 0.000 0.201 263 G C 0.635 175.507 174.900 -0.047 0.000 1.501 263 G CA 0.049 45.145 45.100 -0.008 0.000 1.094 263 G HN 0.476 nan 8.290 nan 0.000 0.555 264 L N 2.587 123.769 121.223 -0.068 0.000 2.093 264 L HA 0.173 4.515 4.340 0.004 0.000 0.208 264 L C 3.032 179.786 176.870 -0.193 0.000 1.085 264 L CA 2.917 57.688 54.840 -0.116 0.000 0.755 264 L CB -1.688 40.314 42.059 -0.095 0.000 0.904 264 L HN 0.538 nan 8.230 nan 0.000 0.435 265 G N -0.640 108.020 108.800 -0.232 0.000 2.402 265 G HA2 -0.220 3.743 3.960 0.004 0.000 0.216 265 G HA3 -0.220 3.743 3.960 0.004 0.000 0.216 265 G C 1.685 176.336 174.900 -0.415 0.000 1.162 265 G CA 0.110 44.857 45.100 -0.588 0.000 0.777 265 G HN 0.320 nan 8.290 nan 0.000 0.539 266 R N 0.378 120.833 120.500 -0.076 0.000 2.237 266 R HA 0.038 4.381 4.340 0.004 0.000 0.219 266 R C 2.297 178.571 176.300 -0.043 0.000 1.080 266 R CA 0.806 56.929 56.100 0.038 0.000 0.995 266 R CB -0.119 30.234 30.300 0.088 0.000 0.875 266 R HN 0.346 nan 8.270 nan 0.000 0.462 267 K N 0.720 121.061 120.400 -0.099 0.000 2.020 267 K HA -0.053 4.270 4.320 0.004 0.000 0.206 267 K C 2.233 178.765 176.600 -0.114 0.000 1.038 267 K CA 1.086 57.317 56.287 -0.094 0.000 0.947 267 K CB -0.145 32.292 32.500 -0.105 0.000 0.744 267 K HN 0.076 nan 8.250 nan 0.000 0.442 268 L N -0.620 120.488 121.223 -0.192 0.000 2.034 268 L HA -0.020 4.322 4.340 0.004 0.000 0.203 268 L C 2.148 178.938 176.870 -0.133 0.000 1.074 268 L CA 1.240 55.963 54.840 -0.196 0.000 0.748 268 L CB -0.972 40.865 42.059 -0.371 0.000 0.905 268 L HN -0.014 nan 8.230 nan 0.000 0.439 269 L N 0.666 121.764 121.223 -0.209 0.000 2.046 269 L HA 0.140 4.483 4.340 0.004 0.000 0.208 269 L C 1.050 177.906 176.870 -0.024 0.000 1.077 269 L CA 0.909 55.682 54.840 -0.113 0.000 0.747 269 L CB -1.168 40.736 42.059 -0.259 0.000 0.896 269 L HN 0.672 nan 8.230 nan 0.000 0.432 270 G N 0.241 109.022 108.800 -0.033 0.000 2.841 270 G HA2 -0.110 3.853 3.960 0.004 0.000 0.684 270 G HA3 -0.110 3.853 3.960 0.004 0.000 0.684 270 G C -0.767 174.166 174.900 0.057 0.000 1.273 270 G CA -0.944 44.164 45.100 0.014 0.000 0.811 270 G HN 0.141 nan 8.290 nan 0.000 0.631 271 E N 0.727 120.953 120.200 0.044 0.000 2.220 271 E HA 0.439 4.791 4.350 0.004 0.000 0.272 271 E C 1.260 177.888 176.600 0.047 0.000 1.099 271 E CA 0.941 57.373 56.400 0.055 0.000 0.907 271 E CB 0.983 30.699 29.700 0.028 0.000 1.022 271 E HN 1.777 nan 8.360 nan 0.000 0.428 272 G N 3.161 111.996 108.800 0.059 0.000 3.006 272 G HA2 -0.201 3.761 3.960 0.004 0.000 0.195 272 G HA3 -0.201 3.761 3.960 0.004 0.000 0.195 272 G C 0.517 175.448 174.900 0.052 0.000 1.034 272 G CA -0.526 44.597 45.100 0.039 0.000 0.807 272 G HN 0.469 nan 8.290 nan 0.000 0.469 273 T N 4.195 118.808 114.554 0.098 0.000 2.849 273 T HA 0.334 4.687 4.350 0.004 0.000 0.289 273 T C 0.714 175.462 174.700 0.080 0.000 1.010 273 T CA 0.682 62.862 62.100 0.133 0.000 1.161 273 T CB 0.700 69.726 68.868 0.262 0.000 0.989 273 T HN 0.585 nan 8.240 nan 0.000 0.523 274 Q N 2.776 122.597 119.800 0.035 0.000 2.274 274 Q HA 0.166 4.508 4.340 0.004 0.000 0.280 274 Q C -0.624 175.307 176.000 -0.116 0.000 1.047 274 Q CA -0.216 55.567 55.803 -0.033 0.000 0.907 274 Q CB 0.172 28.900 28.738 -0.016 0.000 1.171 274 Q HN 0.356 nan 8.270 nan 0.000 0.381 275 V N 5.082 124.859 119.914 -0.230 0.000 2.407 275 V HA 0.197 4.319 4.120 0.004 0.000 0.278 275 V C 1.295 177.229 176.094 -0.267 0.000 1.037 275 V CA -0.513 61.533 62.300 -0.422 0.000 0.900 275 V CB 0.845 32.337 31.823 -0.551 0.000 0.983 275 V HN 0.747 nan 8.190 nan 0.000 0.459 276 L N 2.928 124.009 121.223 -0.237 0.000 2.350 276 L HA 0.277 4.620 4.340 0.004 0.000 0.209 276 L C 1.302 178.052 176.870 -0.199 0.000 1.215 276 L CA 0.055 54.807 54.840 -0.147 0.000 2.667 276 L CB -0.233 41.786 42.059 -0.067 0.000 2.466 276 L HN 0.497 nan 8.230 nan 0.000 1.095 277 K N -0.388 119.885 120.400 -0.212 0.000 2.440 277 K HA 0.366 4.688 4.320 0.004 0.000 0.252 277 K C -0.810 175.428 176.600 -0.603 0.000 1.044 277 K CA -0.129 55.948 56.287 -0.350 0.000 0.962 277 K CB 0.787 33.113 32.500 -0.290 0.000 1.269 277 K HN 0.310 nan 8.250 nan 0.000 0.505 278 T N 0.979 115.018 114.554 -0.859 0.000 3.435 278 T HA 0.426 4.779 4.350 0.004 0.000 0.344 278 T C -1.575 172.711 174.700 -0.690 0.000 1.211 278 T CA -0.718 60.922 62.100 -0.766 0.000 1.104 278 T CB 0.317 68.976 68.868 -0.349 0.000 1.196 278 T HN 0.387 nan 8.240 nan 0.000 0.471 279 F N 1.641 121.637 119.950 0.077 0.000 2.640 279 F HA 0.816 5.345 4.527 0.004 0.000 0.324 279 F C -2.748 173.118 175.800 0.111 0.000 1.077 279 F CA -2.837 55.215 58.000 0.087 0.000 0.965 279 F CB 0.445 39.507 39.000 0.104 0.000 1.351 279 F HN 0.244 nan 8.300 nan 0.000 0.487 280 P HA 0.318 nan 4.420 nan 0.000 0.302 280 P C 0.453 177.929 177.300 0.293 0.000 1.307 280 P CA -0.073 63.151 63.100 0.207 0.000 0.754 280 P CB 0.821 32.606 31.700 0.142 0.000 1.298 281 G N -0.046 108.895 108.800 0.236 0.000 2.496 281 G HA2 -0.203 3.759 3.960 0.004 0.000 0.214 281 G HA3 -0.203 3.759 3.960 0.004 0.000 0.214 281 G C 1.383 176.395 174.900 0.188 0.000 1.234 281 G CA 0.734 46.006 45.100 0.286 0.000 0.807 281 G HN 0.440 nan 8.290 nan 0.000 0.543 282 K N 0.794 121.276 120.400 0.137 0.000 2.286 282 K HA 0.010 4.333 4.320 0.004 0.000 0.203 282 K C 2.581 179.231 176.600 0.084 0.000 1.045 282 K CA 1.235 57.581 56.287 0.099 0.000 0.935 282 K CB -0.317 32.230 32.500 0.080 0.000 0.737 282 K HN 0.216 nan 8.250 nan 0.000 0.460 283 A N 1.181 124.065 122.820 0.108 0.000 1.903 283 A HA -0.208 4.115 4.320 0.004 0.000 0.219 283 A C 2.003 179.586 177.584 -0.002 0.000 1.191 283 A CA 1.832 53.919 52.037 0.084 0.000 0.638 283 A CB -0.674 18.434 19.000 0.180 0.000 0.823 283 A HN 0.373 nan 8.150 nan 0.000 0.451 284 L N -1.647 119.578 121.223 0.003 0.000 2.240 284 L HA -0.057 4.285 4.340 0.004 0.000 0.211 284 L C 1.630 178.497 176.870 -0.006 0.000 1.106 284 L CA 0.614 55.416 54.840 -0.063 0.000 0.793 284 L CB -0.691 41.317 42.059 -0.086 0.000 0.927 284 L HN 0.493 nan 8.230 nan 0.000 0.446 285 E N 0.844 121.069 120.200 0.043 0.000 3.791 285 E HA -0.324 4.028 4.350 0.004 0.000 0.388 285 E C 1.514 178.180 176.600 0.110 0.000 1.636 285 E CA 1.832 58.284 56.400 0.086 0.000 2.031 285 E CB -0.784 28.959 29.700 0.071 0.000 1.715 285 E HN 0.310 nan 8.360 nan 0.000 0.386 286 G N 0.068 108.889 108.800 0.035 0.000 2.726 286 G HA2 -0.180 3.782 3.960 0.004 0.000 0.207 286 G HA3 -0.180 3.782 3.960 0.004 0.000 0.207 286 G C 0.400 175.326 174.900 0.044 0.000 1.157 286 G CA 0.456 45.509 45.100 -0.079 0.000 0.787 286 G HN 0.357 nan 8.290 nan 0.000 0.539 287 L N 2.307 123.593 121.223 0.105 0.000 2.737 287 L HA 0.056 4.398 4.340 0.004 0.000 0.275 287 L C -1.343 175.641 176.870 0.189 0.000 1.179 287 L CA -0.954 53.947 54.840 0.102 0.000 0.970 287 L CB 0.388 42.489 42.059 0.069 0.000 1.268 287 L HN 0.104 nan 8.230 nan 0.000 0.485 288 P HA 0.126 nan 4.420 nan 0.000 0.274 288 P C -1.411 175.932 177.300 0.073 0.000 1.231 288 P CA 0.045 63.187 63.100 0.070 0.000 0.790 288 P CB 1.021 32.734 31.700 0.021 0.000 0.951 289 Y N -2.121 118.240 120.300 0.103 0.000 2.689 289 Y HA 0.676 5.229 4.550 0.005 0.000 0.333 289 Y C -1.111 174.768 175.900 -0.035 0.000 1.190 289 Y CA -1.216 56.914 58.100 0.050 0.000 1.063 289 Y CB 0.114 38.640 38.460 0.110 0.000 1.294 289 Y HN 0.224 nan 8.280 nan 0.000 0.466 290 T N 3.014 117.651 114.554 0.137 0.000 2.772 290 T HA 0.479 4.832 4.350 0.004 0.000 0.288 290 T C -2.911 171.632 174.700 -0.261 0.000 0.994 290 T CA -1.537 60.476 62.100 -0.146 0.000 0.951 290 T CB 1.351 70.121 68.868 -0.164 0.000 0.933 290 T HN 0.521 nan 8.240 nan 0.000 0.447 291 P HA 0.252 nan 4.420 nan 0.000 0.276 291 P C -1.970 174.977 177.300 -0.588 0.000 1.244 291 P CA -1.654 61.065 63.100 -0.635 0.000 0.801 291 P CB 1.134 32.532 31.700 -0.503 0.000 1.006 292 P HA -0.070 nan 4.420 nan 0.000 0.220 292 P C -0.062 176.737 177.300 -0.835 0.000 1.152 292 P CA 1.504 64.222 63.100 -0.637 0.000 0.812 292 P CB 0.025 31.402 31.700 -0.539 0.000 0.792 293 Y N -0.246 119.996 120.300 -0.097 0.000 2.525 293 Y HA 0.425 4.977 4.550 0.004 0.000 0.365 293 Y C -2.231 173.652 175.900 -0.028 0.000 0.929 293 Y CA -2.896 55.198 58.100 -0.010 0.000 1.196 293 Y CB -0.299 38.224 38.460 0.105 0.000 1.232 293 Y HN -0.052 nan 8.280 nan 0.000 0.613 294 P HA -0.122 nan 4.420 nan 0.000 0.255 294 P C -0.356 176.976 177.300 0.054 0.000 1.151 294 P CA 0.884 63.897 63.100 -0.144 0.000 0.767 294 P CB 0.494 32.059 31.700 -0.225 0.000 0.736 295 Q N 2.274 122.186 119.800 0.187 0.000 2.309 295 Q HA 0.520 4.862 4.340 0.004 0.000 0.264 295 Q C -0.077 176.039 176.000 0.194 0.000 1.008 295 Q CA -0.920 54.993 55.803 0.185 0.000 0.853 295 Q CB 1.951 30.814 28.738 0.207 0.000 1.314 295 Q HN 0.395 nan 8.270 nan 0.000 0.448 296 A N 4.223 127.114 122.820 0.119 0.000 2.535 296 A HA 0.256 4.579 4.320 0.004 0.000 0.290 296 A C -0.052 177.587 177.584 0.091 0.000 1.270 296 A CA 0.153 52.249 52.037 0.098 0.000 0.937 296 A CB -0.599 18.437 19.000 0.059 0.000 1.096 296 A HN 0.611 nan 8.150 nan 0.000 0.534 297 L N 1.695 122.989 121.223 0.118 0.000 2.365 297 L HA 0.418 4.760 4.340 0.004 0.000 0.267 297 L C 1.175 178.063 176.870 0.030 0.000 1.033 297 L CA -0.782 54.081 54.840 0.039 0.000 0.802 297 L CB 1.169 43.192 42.059 -0.060 0.000 1.267 297 L HN 0.815 nan 8.230 nan 0.000 0.457 298 E N 0.125 120.325 120.200 0.001 0.000 2.228 298 E HA 0.146 4.499 4.350 0.004 0.000 0.197 298 E C -0.040 176.570 176.600 0.018 0.000 0.909 298 E CA 0.375 56.780 56.400 0.010 0.000 0.911 298 E CB 0.647 30.349 29.700 0.002 0.000 0.887 298 E HN 0.371 nan 8.360 nan 0.000 0.481 299 K N 0.509 120.915 120.400 0.009 0.000 2.345 299 K HA 0.609 4.931 4.320 0.004 0.000 0.255 299 K C -0.283 176.319 176.600 0.003 0.000 0.934 299 K CA -0.076 56.251 56.287 0.068 0.000 0.801 299 K CB 2.204 34.757 32.500 0.088 0.000 1.137 299 K HN 0.254 nan 8.250 nan 0.000 0.424 300 G N 0.626 109.481 108.800 0.091 0.000 2.352 300 G HA2 0.042 4.005 3.960 0.004 0.000 0.283 300 G HA3 0.042 4.005 3.960 0.004 0.000 0.283 300 G C -1.267 173.444 174.900 -0.314 0.000 1.308 300 G CA -0.882 44.031 45.100 -0.312 0.000 0.892 300 G HN 0.484 nan 8.290 nan 0.000 0.504 301 Y N -1.711 118.372 120.300 -0.362 0.000 3.515 301 Y HA -0.145 4.408 4.550 0.004 0.000 0.214 301 Y C 0.669 175.953 175.900 -1.027 0.000 1.166 301 Y CA 1.496 59.139 58.100 -0.762 0.000 1.435 301 Y CB -2.614 35.459 38.460 -0.646 0.000 1.414 301 Y HN 1.144 nan 8.280 nan 0.000 0.608 302 F N -3.903 115.893 119.950 -0.256 0.000 2.631 302 F HA 0.842 5.371 4.527 0.004 0.000 0.328 302 F C -0.206 175.679 175.800 0.141 0.000 1.067 302 F CA -2.442 55.504 58.000 -0.089 0.000 0.969 302 F CB 0.418 39.367 39.000 -0.085 0.000 1.332 302 F HN -0.330 nan 8.300 nan 0.000 0.490 303 V N 1.861 122.001 119.914 0.378 0.000 2.924 303 V HA 0.462 4.585 4.120 0.004 0.000 0.305 303 V C -0.040 176.120 176.094 0.110 0.000 1.073 303 V CA -0.305 62.092 62.300 0.162 0.000 1.098 303 V CB 1.283 33.166 31.823 0.100 0.000 1.000 303 V HN 0.748 nan 8.190 nan 0.000 0.484 304 V N 4.108 123.950 119.914 -0.121 0.000 3.160 304 V HA 0.537 4.659 4.120 0.004 0.000 0.310 304 V C -0.737 175.306 176.094 -0.084 0.000 1.181 304 V CA -0.739 61.403 62.300 -0.263 0.000 1.047 304 V CB 2.443 33.874 31.823 -0.652 0.000 1.068 304 V HN 0.618 nan 8.190 nan 0.000 0.441 305 L N 2.601 123.876 121.223 0.087 0.000 2.322 305 L HA 0.883 5.226 4.340 0.004 0.000 0.281 305 L C -0.331 176.530 176.870 -0.016 0.000 1.014 305 L CA -0.501 54.371 54.840 0.053 0.000 0.815 305 L CB 1.731 43.860 42.059 0.117 0.000 1.247 305 L HN 0.753 nan 8.230 nan 0.000 0.421 306 A N 1.868 124.543 122.820 -0.241 0.000 2.437 306 A HA 0.328 4.651 4.320 0.004 0.000 0.293 306 A C 0.419 177.584 177.584 -0.698 0.000 1.038 306 A CA -0.672 51.092 52.037 -0.455 0.000 0.708 306 A CB 0.926 19.502 19.000 -0.706 0.000 1.251 306 A HN 0.835 nan 8.150 nan 0.000 0.409 307 D N 1.764 121.838 120.400 -0.543 0.000 2.203 307 D HA -0.309 4.333 4.640 0.004 0.000 0.199 307 D C 1.104 177.147 176.300 -0.429 0.000 0.997 307 D CA 2.448 56.102 54.000 -0.578 0.000 0.863 307 D CB -0.458 40.202 40.800 -0.232 0.000 0.928 307 D HN 0.840 nan 8.370 nan 0.000 0.458 308 Y N 0.667 120.886 120.300 -0.136 0.000 2.544 308 Y HA 0.305 4.857 4.550 0.003 0.000 0.286 308 Y C 1.098 177.018 175.900 0.033 0.000 1.141 308 Y CA -0.740 57.344 58.100 -0.026 0.000 1.299 308 Y CB -0.702 37.743 38.460 -0.024 0.000 1.030 308 Y HN -0.305 nan 8.280 nan 0.000 0.543 309 V N 3.802 123.567 119.914 -0.249 0.000 2.486 309 V HA -0.105 4.017 4.120 0.004 0.000 0.290 309 V C 0.994 177.195 176.094 0.179 0.000 0.991 309 V CA 0.402 62.678 62.300 -0.040 0.000 1.142 309 V CB -0.926 30.800 31.823 -0.162 0.000 0.926 309 V HN 0.652 nan 8.190 nan 0.000 0.472 310 S N 4.682 120.512 115.700 0.216 0.000 2.626 310 S HA 0.245 4.717 4.470 0.004 0.000 0.257 310 S C 0.464 175.242 174.600 0.296 0.000 1.288 310 S CA 0.135 58.480 58.200 0.243 0.000 0.980 310 S CB 0.862 64.145 63.200 0.139 0.000 0.975 310 S HN 0.879 nan 8.310 nan 0.000 0.577 311 Q N -1.509 118.382 119.800 0.151 0.000 2.055 311 Q HA 0.412 4.754 4.340 0.004 0.000 0.226 311 Q C 0.269 176.236 176.000 -0.056 0.000 0.805 311 Q CA -0.490 55.332 55.803 0.033 0.000 1.072 311 Q CB 0.337 28.918 28.738 -0.262 0.000 1.219 311 Q HN 0.625 nan 8.270 nan 0.000 0.451 312 E N 0.507 120.683 120.200 -0.040 0.000 2.364 312 E HA 0.160 4.512 4.350 0.004 0.000 0.203 312 E C -0.568 175.963 176.600 -0.115 0.000 0.888 312 E CA 0.564 56.924 56.400 -0.067 0.000 0.989 312 E CB 0.770 30.449 29.700 -0.036 0.000 0.985 312 E HN 0.311 nan 8.360 nan 0.000 0.499 313 D N -0.735 119.575 120.400 -0.151 0.000 2.646 313 D HA 0.478 5.120 4.640 0.004 0.000 0.245 313 D C 0.429 176.423 176.300 -0.511 0.000 1.099 313 D CA 0.597 54.397 54.000 -0.333 0.000 0.849 313 D CB 1.936 42.571 40.800 -0.275 0.000 1.448 313 D HN 0.229 nan 8.370 nan 0.000 0.489 314 G N 1.876 110.148 108.800 -0.880 0.000 2.578 314 G HA2 -0.267 3.696 3.960 0.004 0.000 0.232 314 G HA3 -0.267 3.696 3.960 0.004 0.000 0.232 314 G C 0.757 175.518 174.900 -0.231 0.000 1.176 314 G CA 0.731 45.296 45.100 -0.891 0.000 0.968 314 G HN 0.568 nan 8.290 nan 0.000 0.583 315 T N -3.246 111.271 114.554 -0.061 0.000 3.098 315 T HA 0.534 4.886 4.350 0.004 0.000 0.246 315 T C 2.253 177.004 174.700 0.085 0.000 0.983 315 T CA 1.912 64.016 62.100 0.006 0.000 1.094 315 T CB 1.038 69.926 68.868 0.035 0.000 1.035 315 T HN 2.741 nan 8.240 nan 0.000 0.456 316 G N 1.197 110.068 108.800 0.117 0.000 2.485 316 G HA2 0.006 3.968 3.960 0.004 0.000 0.181 316 G HA3 0.006 3.968 3.960 0.004 0.000 0.181 316 G C -0.171 174.799 174.900 0.117 0.000 0.999 316 G CA -0.349 44.924 45.100 0.288 0.000 0.721 316 G HN 0.574 nan 8.290 nan 0.000 0.486 317 I N 1.960 122.513 120.570 -0.030 0.000 2.339 317 I HA 0.565 4.737 4.170 0.004 0.000 0.290 317 I C -0.275 175.769 176.117 -0.123 0.000 0.994 317 I CA -1.101 60.098 61.300 -0.169 0.000 1.191 317 I CB 2.087 39.940 38.000 -0.246 0.000 1.343 317 I HN -0.128 nan 8.210 nan 0.000 0.458 318 V N 6.181 126.020 119.914 -0.125 0.000 2.378 318 V HA 0.182 4.305 4.120 0.004 0.000 0.288 318 V C 0.217 176.242 176.094 -0.116 0.000 1.016 318 V CA -0.655 61.600 62.300 -0.075 0.000 0.840 318 V CB 1.264 33.085 31.823 -0.004 0.000 0.994 318 V HN 0.697 nan 8.190 nan 0.000 0.431 319 H N 4.996 123.933 119.070 -0.222 0.000 3.001 319 H HA 0.123 4.682 4.556 0.004 0.000 0.334 319 H C -0.466 174.809 175.328 -0.088 0.000 1.034 319 H CA -0.091 55.826 56.048 -0.218 0.000 1.420 319 H CB 0.895 30.515 29.762 -0.235 0.000 1.405 319 H HN 0.616 nan 8.280 nan 0.000 0.593 320 Q N 3.663 123.395 119.800 -0.113 0.000 2.413 320 Q HA 0.445 4.787 4.340 0.004 0.000 0.258 320 Q C -1.328 174.582 176.000 -0.150 0.000 1.037 320 Q CA -0.537 55.153 55.803 -0.189 0.000 0.764 320 Q CB 1.381 30.063 28.738 -0.093 0.000 1.217 320 Q HN 0.712 nan 8.270 nan 0.000 0.490 321 A N 5.327 127.975 122.820 -0.287 0.000 2.511 321 A HA 0.436 4.758 4.320 0.004 0.000 0.340 321 A C -1.891 175.578 177.584 -0.192 0.000 1.396 321 A CA -1.314 50.652 52.037 -0.118 0.000 0.887 321 A CB 0.380 19.393 19.000 0.022 0.000 1.145 321 A HN 0.652 nan 8.150 nan 0.000 0.497 322 P HA -0.144 nan 4.420 nan 0.000 0.234 322 P C 0.914 178.048 177.300 -0.277 0.000 1.162 322 P CA 1.616 64.602 63.100 -0.189 0.000 0.759 322 P CB 0.316 31.927 31.700 -0.148 0.000 0.813 323 A N -1.724 120.788 122.820 -0.512 0.000 2.303 323 A HA 0.262 4.585 4.320 0.004 0.000 0.217 323 A C 0.853 177.983 177.584 -0.757 0.000 1.205 323 A CA 0.018 51.611 52.037 -0.741 0.000 0.875 323 A CB -0.335 18.040 19.000 -1.042 0.000 0.910 323 A HN 0.067 nan 8.150 nan 0.000 0.501 324 F N -0.503 119.440 119.950 -0.011 0.000 2.764 324 F HA 0.523 5.052 4.527 0.004 0.000 0.310 324 F C 0.801 176.613 175.800 0.019 0.000 1.124 324 F CA -0.668 57.367 58.000 0.059 0.000 1.252 324 F CB 0.730 39.713 39.000 -0.028 0.000 1.010 324 F HN 0.145 nan 8.300 nan 0.000 0.518 325 G N -0.475 108.342 108.800 0.028 0.000 2.768 325 G HA2 0.523 4.486 3.960 0.004 0.000 0.297 325 G HA3 0.523 4.486 3.960 0.004 0.000 0.297 325 G C 0.133 174.973 174.900 -0.101 0.000 1.430 325 G CA -0.085 44.973 45.100 -0.070 0.000 1.030 325 G HN 0.101 nan 8.290 nan 0.000 0.553 326 A N 1.283 124.022 122.820 -0.135 0.000 1.897 326 A HA 0.137 4.459 4.320 0.004 0.000 0.215 326 A C 1.920 179.414 177.584 -0.151 0.000 1.181 326 A CA 2.063 54.031 52.037 -0.115 0.000 0.620 326 A CB -0.301 18.635 19.000 -0.106 0.000 0.821 326 A HN 0.645 nan 8.150 nan 0.000 0.443 327 E N 0.619 120.675 120.200 -0.240 0.000 2.051 327 E HA -0.161 4.192 4.350 0.004 0.000 0.192 327 E C 1.463 177.969 176.600 -0.156 0.000 0.991 327 E CA 1.467 57.668 56.400 -0.331 0.000 0.799 327 E CB -0.330 28.899 29.700 -0.785 0.000 0.748 327 E HN 0.617 nan 8.360 nan 0.000 0.449 328 D N 0.397 120.719 120.400 -0.130 0.000 2.190 328 D HA -0.175 4.467 4.640 0.004 0.000 0.200 328 D C 1.708 177.971 176.300 -0.062 0.000 0.992 328 D CA 0.755 54.714 54.000 -0.069 0.000 0.854 328 D CB -0.046 40.680 40.800 -0.123 0.000 0.936 328 D HN 0.100 nan 8.370 nan 0.000 0.462 329 L N 0.301 121.476 121.223 -0.080 0.000 2.179 329 L HA -0.079 4.263 4.340 0.004 0.000 0.208 329 L C 2.011 178.857 176.870 -0.039 0.000 1.096 329 L CA 1.016 55.815 54.840 -0.068 0.000 0.779 329 L CB -0.009 42.007 42.059 -0.071 0.000 0.922 329 L HN 0.044 nan 8.230 nan 0.000 0.443 330 E N -0.608 119.571 120.200 -0.035 0.000 2.017 330 E HA -0.214 4.139 4.350 0.004 0.000 0.193 330 E C 1.876 178.500 176.600 0.040 0.000 0.997 330 E CA 1.930 58.323 56.400 -0.011 0.000 0.804 330 E CB -0.156 29.534 29.700 -0.017 0.000 0.757 330 E HN 0.419 nan 8.360 nan 0.000 0.448 331 T N 1.078 115.688 114.554 0.094 0.000 2.778 331 T HA -0.199 4.154 4.350 0.004 0.000 0.269 331 T C 1.887 176.696 174.700 0.182 0.000 1.050 331 T CA 1.168 63.374 62.100 0.177 0.000 1.137 331 T CB -0.212 68.761 68.868 0.176 0.000 0.860 331 T HN 0.255 nan 8.240 nan 0.000 0.468 332 A N 1.601 124.463 122.820 0.071 0.000 1.898 332 A HA -0.063 4.260 4.320 0.004 0.000 0.216 332 A C 2.406 180.024 177.584 0.057 0.000 1.181 332 A CA 0.988 53.050 52.037 0.040 0.000 0.620 332 A CB -0.335 18.647 19.000 -0.030 0.000 0.819 332 A HN 0.138 nan 8.150 nan 0.000 0.442 333 R N -0.150 120.366 120.500 0.026 0.000 2.081 333 R HA -0.076 4.267 4.340 0.004 0.000 0.235 333 R C 2.146 178.453 176.300 0.011 0.000 1.131 333 R CA 1.407 57.509 56.100 0.003 0.000 0.960 333 R CB -1.328 28.958 30.300 -0.023 0.000 0.856 333 R HN 0.409 nan 8.270 nan 0.000 0.436 334 V N -0.069 119.862 119.914 0.027 0.000 2.233 334 V HA -0.258 3.865 4.120 0.004 0.000 0.247 334 V C 1.491 177.544 176.094 -0.069 0.000 1.050 334 V CA 1.774 64.041 62.300 -0.056 0.000 1.010 334 V CB -0.567 31.199 31.823 -0.094 0.000 0.637 334 V HN 0.255 nan 8.190 nan 0.000 0.444 335 Y N 0.687 121.004 120.300 0.028 0.000 2.470 335 Y HA 0.423 4.976 4.550 0.004 0.000 0.302 335 Y C 1.770 177.703 175.900 0.055 0.000 1.194 335 Y CA 0.274 58.416 58.100 0.070 0.000 1.271 335 Y CB -0.569 37.991 38.460 0.168 0.000 1.092 335 Y HN 0.372 nan 8.280 nan 0.000 0.513 336 G N 0.921 109.802 108.800 0.136 0.000 2.296 336 G HA2 -0.318 3.644 3.960 0.004 0.000 0.282 336 G HA3 -0.318 3.644 3.960 0.004 0.000 0.282 336 G C 0.206 175.146 174.900 0.067 0.000 1.014 336 G CA 0.138 45.281 45.100 0.071 0.000 0.812 336 G HN 0.371 nan 8.290 nan 0.000 0.508 337 L N 0.680 121.946 121.223 0.073 0.000 2.464 337 L HA 0.388 4.731 4.340 0.004 0.000 0.264 337 L C -0.792 176.054 176.870 -0.041 0.000 1.199 337 L CA -1.667 53.175 54.840 0.002 0.000 0.818 337 L CB 0.397 42.424 42.059 -0.053 0.000 1.102 337 L HN 0.095 nan 8.230 nan 0.000 0.473 338 P HA 0.227 nan 4.420 nan 0.000 0.281 338 P C -1.246 175.992 177.300 -0.102 0.000 1.281 338 P CA -0.679 62.373 63.100 -0.080 0.000 0.811 338 P CB 1.561 33.217 31.700 -0.073 0.000 1.154 339 L N 1.169 122.329 121.223 -0.106 0.000 2.262 339 L HA 0.328 4.671 4.340 0.004 0.000 0.288 339 L C -0.532 176.265 176.870 -0.122 0.000 1.035 339 L CA -0.378 54.382 54.840 -0.134 0.000 0.820 339 L CB -0.200 41.770 42.059 -0.149 0.000 1.204 339 L HN 0.196 nan 8.230 nan 0.000 0.424 340 L N 6.287 127.431 121.223 -0.132 0.000 2.268 340 L HA 0.343 4.685 4.340 0.004 0.000 0.289 340 L C 0.193 176.998 176.870 -0.107 0.000 1.064 340 L CA -0.471 54.325 54.840 -0.072 0.000 0.824 340 L CB 0.321 42.380 42.059 -0.001 0.000 1.202 340 L HN 0.482 nan 8.230 nan 0.000 0.433 341 K N 2.550 122.922 120.400 -0.046 0.000 2.222 341 K HA 0.105 4.428 4.320 0.004 0.000 0.243 341 K C 1.207 177.910 176.600 0.171 0.000 1.160 341 K CA -0.082 56.204 56.287 -0.001 0.000 1.090 341 K CB 0.527 33.015 32.500 -0.019 0.000 1.694 341 K HN 0.565 nan 8.250 nan 0.000 0.361 342 T N -2.493 112.250 114.554 0.314 0.000 3.194 342 T HA 0.106 4.458 4.350 0.004 0.000 0.251 342 T C 0.565 175.479 174.700 0.356 0.000 1.132 342 T CA -0.118 62.181 62.100 0.331 0.000 1.028 342 T CB 0.011 69.085 68.868 0.343 0.000 0.976 342 T HN -0.001 nan 8.240 nan 0.000 0.535 343 V N 2.713 122.898 119.914 0.451 0.000 2.760 343 V HA 0.430 4.552 4.120 0.004 0.000 0.309 343 V C -0.723 175.596 176.094 0.374 0.000 1.077 343 V CA -1.357 61.162 62.300 0.364 0.000 0.910 343 V CB 2.209 34.234 31.823 0.338 0.000 1.008 343 V HN 0.546 nan 8.190 nan 0.000 0.424 344 D N 2.231 122.763 120.400 0.220 0.000 2.398 344 D HA 0.132 4.774 4.640 0.004 0.000 0.247 344 D C 0.786 177.131 176.300 0.075 0.000 1.227 344 D CA -0.533 53.578 54.000 0.184 0.000 0.980 344 D CB 0.759 41.639 40.800 0.133 0.000 1.106 344 D HN 0.603 nan 8.370 nan 0.000 0.493 345 E N -0.808 119.439 120.200 0.078 0.000 2.463 345 E HA -0.157 4.195 4.350 0.004 0.000 0.201 345 E C 0.632 177.269 176.600 0.062 0.000 1.045 345 E CA 0.765 57.151 56.400 -0.024 0.000 0.872 345 E CB -0.049 29.727 29.700 0.127 0.000 0.797 345 E HN 0.552 nan 8.360 nan 0.000 0.538 346 E N -0.640 119.608 120.200 0.079 0.000 2.501 346 E HA 0.115 4.468 4.350 0.004 0.000 0.201 346 E C 0.791 177.505 176.600 0.191 0.000 1.016 346 E CA 0.171 56.658 56.400 0.145 0.000 0.920 346 E CB 0.985 30.763 29.700 0.131 0.000 1.023 346 E HN 0.303 nan 8.360 nan 0.000 0.474 347 G N 2.304 111.141 108.800 0.061 0.000 2.143 347 G HA2 -0.292 3.671 3.960 0.004 0.000 0.249 347 G HA3 -0.292 3.671 3.960 0.004 0.000 0.249 347 G C 0.026 174.969 174.900 0.072 0.000 0.981 347 G CA -0.001 45.140 45.100 0.068 0.000 0.665 347 G HN 0.110 nan 8.290 nan 0.000 0.528 348 K N 0.708 121.166 120.400 0.097 0.000 2.213 348 K HA 0.514 4.837 4.320 0.004 0.000 0.270 348 K C 0.833 177.494 176.600 0.102 0.000 1.002 348 K CA -1.037 55.312 56.287 0.104 0.000 0.868 348 K CB 1.300 33.877 32.500 0.128 0.000 1.093 348 K HN 0.014 nan 8.250 nan 0.000 0.454 349 L N 3.644 124.925 121.223 0.097 0.000 2.516 349 L HA -0.087 4.256 4.340 0.004 0.000 0.288 349 L C 1.200 178.157 176.870 0.145 0.000 1.246 349 L CA 0.996 55.913 54.840 0.128 0.000 0.844 349 L CB 0.119 42.254 42.059 0.126 0.000 1.106 349 L HN 0.779 nan 8.230 nan 0.000 0.509 350 L N 1.730 123.049 121.223 0.161 0.000 2.749 350 L HA 0.153 4.495 4.340 0.004 0.000 0.242 350 L C 0.239 177.196 176.870 0.144 0.000 1.103 350 L CA -0.017 54.910 54.840 0.145 0.000 0.906 350 L CB 0.587 42.735 42.059 0.149 0.000 1.228 350 L HN 0.274 nan 8.230 nan 0.000 0.517 351 V N 1.455 121.473 119.914 0.174 0.000 2.446 351 V HA -0.057 4.066 4.120 0.004 0.000 0.276 351 V C 1.439 177.628 176.094 0.158 0.000 1.030 351 V CA 0.177 62.584 62.300 0.179 0.000 1.033 351 V CB 1.016 32.967 31.823 0.212 0.000 0.993 351 V HN 0.300 nan 8.190 nan 0.000 0.477 352 E N 7.462 127.714 120.200 0.087 0.000 2.181 352 E HA -0.252 4.100 4.350 0.004 0.000 0.225 352 E C -0.307 176.235 176.600 -0.096 0.000 1.073 352 E CA 2.919 59.328 56.400 0.016 0.000 0.916 352 E CB -0.932 28.775 29.700 0.012 0.000 0.793 352 E HN 0.716 nan 8.360 nan 0.000 0.472 353 P HA -0.132 nan 4.420 nan 0.000 0.221 353 P C 0.198 177.035 177.300 -0.772 0.000 1.145 353 P CA 1.349 64.072 63.100 -0.629 0.000 0.795 353 P CB -0.075 31.059 31.700 -0.945 0.000 0.775 354 F N -1.227 118.727 119.950 0.007 0.000 2.815 354 F HA 0.344 4.874 4.527 0.005 0.000 0.323 354 F C 0.772 176.583 175.800 0.018 0.000 1.151 354 F CA -1.309 56.692 58.000 0.003 0.000 1.191 354 F CB -0.283 38.700 39.000 -0.028 0.000 1.069 354 F HN -0.315 nan 8.300 nan 0.000 0.514 355 K N 1.848 122.342 120.400 0.157 0.000 2.366 355 K HA 0.320 4.643 4.320 0.004 0.000 0.279 355 K C 1.184 177.849 176.600 0.108 0.000 1.098 355 K CA 1.344 57.706 56.287 0.125 0.000 1.087 355 K CB -0.306 32.243 32.500 0.082 0.000 0.901 355 K HN 0.633 nan 8.250 nan 0.000 0.463 356 G N 3.442 112.310 108.800 0.114 0.000 2.284 356 G HA2 -0.188 3.774 3.960 0.004 0.000 0.201 356 G HA3 -0.188 3.774 3.960 0.004 0.000 0.201 356 G C 0.051 175.011 174.900 0.099 0.000 0.998 356 G CA -0.398 44.759 45.100 0.095 0.000 0.651 356 G HN 0.497 nan 8.290 nan 0.000 0.489 357 L N 0.804 122.095 121.223 0.113 0.000 2.452 357 L HA 0.428 4.771 4.340 0.004 0.000 0.267 357 L C 0.960 177.885 176.870 0.092 0.000 1.188 357 L CA -0.797 54.104 54.840 0.102 0.000 0.821 357 L CB 0.508 42.629 42.059 0.103 0.000 1.102 357 L HN 0.238 nan 8.230 nan 0.000 0.470 358 Y N 1.851 122.109 120.300 -0.070 0.000 2.346 358 Y HA -0.006 4.546 4.550 0.004 0.000 0.330 358 Y C 0.961 176.727 175.900 -0.222 0.000 1.178 358 Y CA -0.685 57.321 58.100 -0.158 0.000 1.331 358 Y CB 0.765 39.078 38.460 -0.244 0.000 1.253 358 Y HN 0.443 nan 8.280 nan 0.000 0.529 359 F N 2.963 122.399 119.950 -0.856 0.000 2.192 359 F HA -0.178 4.351 4.527 0.004 0.000 0.301 359 F C 1.685 177.080 175.800 -0.676 0.000 1.079 359 F CA 1.413 58.920 58.000 -0.820 0.000 1.303 359 F CB -0.389 37.821 39.000 -1.318 0.000 1.024 359 F HN 0.421 nan 8.300 nan 0.000 0.494 360 R N 0.594 120.360 120.500 -1.223 0.000 2.093 360 R HA -0.056 4.286 4.340 0.004 0.000 0.224 360 R C 1.904 178.070 176.300 -0.224 0.000 1.101 360 R CA 1.414 57.159 56.100 -0.591 0.000 0.979 360 R CB -0.475 29.500 30.300 -0.543 0.000 0.877 360 R HN 0.353 nan 8.270 nan 0.000 0.441 361 E N 0.520 120.635 120.200 -0.142 0.000 2.285 361 E HA -0.001 4.351 4.350 0.004 0.000 0.194 361 E C 1.702 178.277 176.600 -0.041 0.000 0.997 361 E CA 0.844 57.218 56.400 -0.042 0.000 0.845 361 E CB 0.016 29.726 29.700 0.016 0.000 0.782 361 E HN 0.291 nan 8.360 nan 0.000 0.491 362 A N 1.075 123.847 122.820 -0.080 0.000 1.898 362 A HA -0.186 4.136 4.320 0.004 0.000 0.216 362 A C 1.763 179.275 177.584 -0.119 0.000 1.181 362 A CA 1.261 53.240 52.037 -0.097 0.000 0.620 362 A CB -0.447 18.474 19.000 -0.132 0.000 0.819 362 A HN 0.161 nan 8.150 nan 0.000 0.442 363 N N 0.143 118.808 118.700 -0.058 0.000 2.133 363 N HA -0.254 4.488 4.740 0.004 0.000 0.193 363 N C 1.812 177.301 175.510 -0.035 0.000 1.012 363 N CA 1.779 54.809 53.050 -0.033 0.000 0.871 363 N CB -0.567 37.932 38.487 0.019 0.000 1.011 363 N HN 0.743 nan 8.380 nan 0.000 0.435 364 R N 0.781 121.270 120.500 -0.018 0.000 2.083 364 R HA -0.074 4.268 4.340 0.004 0.000 0.237 364 R C 1.992 178.316 176.300 0.040 0.000 1.137 364 R CA 1.731 57.838 56.100 0.012 0.000 0.951 364 R CB -0.298 30.010 30.300 0.014 0.000 0.851 364 R HN 0.187 nan 8.270 nan 0.000 0.434 365 A N 1.274 124.124 122.820 0.050 0.000 1.872 365 A HA -0.047 4.276 4.320 0.004 0.000 0.214 365 A C 2.272 179.987 177.584 0.219 0.000 1.187 365 A CA 1.296 53.433 52.037 0.168 0.000 0.614 365 A CB -0.487 18.691 19.000 0.297 0.000 0.826 365 A HN 0.376 nan 8.150 nan 0.000 0.442 366 I N -0.524 119.998 120.570 -0.080 0.000 2.208 366 I HA -0.262 3.911 4.170 0.004 0.000 0.245 366 I C 2.153 178.335 176.117 0.107 0.000 1.097 366 I CA 1.007 62.235 61.300 -0.119 0.000 1.363 366 I CB -0.311 37.416 38.000 -0.454 0.000 1.051 366 I HN 0.217 nan 8.210 nan 0.000 0.413 367 L N 0.391 121.643 121.223 0.048 0.000 2.131 367 L HA -0.183 4.159 4.340 0.004 0.000 0.210 367 L C 2.492 179.422 176.870 0.101 0.000 1.092 367 L CA 1.581 56.462 54.840 0.068 0.000 0.759 367 L CB -1.026 41.054 42.059 0.035 0.000 0.903 367 L HN 0.183 nan 8.230 nan 0.000 0.435 368 R N -0.085 120.488 120.500 0.121 0.000 2.064 368 R HA -0.199 4.144 4.340 0.004 0.000 0.228 368 R C 2.070 178.456 176.300 0.143 0.000 1.144 368 R CA 2.002 58.174 56.100 0.119 0.000 0.932 368 R CB -0.473 29.903 30.300 0.127 0.000 0.833 368 R HN 0.348 nan 8.270 nan 0.000 0.429 369 D N -0.143 120.389 120.400 0.220 0.000 2.177 369 D HA -0.236 4.406 4.640 0.004 0.000 0.189 369 D C 2.024 178.426 176.300 0.170 0.000 1.002 369 D CA 2.446 56.585 54.000 0.232 0.000 0.845 369 D CB -0.149 40.916 40.800 0.442 0.000 0.960 369 D HN 0.278 nan 8.370 nan 0.000 0.447 370 L N -0.211 121.132 121.223 0.200 0.000 2.043 370 L HA -0.216 4.126 4.340 0.004 0.000 0.212 370 L C 2.770 179.694 176.870 0.089 0.000 1.075 370 L CA 1.545 56.463 54.840 0.130 0.000 0.752 370 L CB -0.647 41.501 42.059 0.149 0.000 0.891 370 L HN 0.129 nan 8.230 nan 0.000 0.432 371 R N 0.396 120.950 120.500 0.089 0.000 2.092 371 R HA -0.115 4.227 4.340 0.004 0.000 0.231 371 R C 2.271 178.601 176.300 0.050 0.000 1.119 371 R CA 1.327 57.466 56.100 0.064 0.000 0.970 371 R CB -0.387 29.949 30.300 0.059 0.000 0.864 371 R HN 0.382 nan 8.270 nan 0.000 0.440 372 G N 0.540 109.374 108.800 0.056 0.000 2.408 372 G HA2 -0.202 3.761 3.960 0.004 0.000 0.217 372 G HA3 -0.202 3.761 3.960 0.004 0.000 0.217 372 G C 1.159 176.075 174.900 0.026 0.000 1.150 372 G CA 0.160 45.283 45.100 0.039 0.000 0.776 372 G HN 0.289 nan 8.290 nan 0.000 0.542 373 R N 0.581 121.097 120.500 0.026 0.000 2.325 373 R HA 0.165 4.507 4.340 0.004 0.000 0.214 373 R C 1.604 177.911 176.300 0.011 0.000 0.961 373 R CA 0.364 56.467 56.100 0.004 0.000 1.086 373 R CB -0.179 30.108 30.300 -0.022 0.000 1.037 373 R HN 0.319 nan 8.270 nan 0.000 0.493 374 G N 2.237 111.052 108.800 0.024 0.000 2.321 374 G HA2 -0.255 3.707 3.960 0.004 0.000 0.287 374 G HA3 -0.255 3.707 3.960 0.004 0.000 0.287 374 G C 0.371 175.300 174.900 0.048 0.000 1.018 374 G CA 0.812 45.930 45.100 0.030 0.000 0.855 374 G HN 0.430 nan 8.290 nan 0.000 0.507 375 L N -2.463 118.794 121.223 0.057 0.000 3.218 375 L HA 0.696 5.039 4.340 0.004 0.000 0.279 375 L C 0.062 177.010 176.870 0.131 0.000 1.287 375 L CA -0.676 54.216 54.840 0.086 0.000 1.024 375 L CB 0.761 42.847 42.059 0.046 0.000 1.409 375 L HN 0.115 nan 8.230 nan 0.000 0.580 376 L N 0.429 121.728 121.223 0.127 0.000 2.353 376 L HA 0.345 4.688 4.340 0.004 0.000 0.270 376 L C 0.152 177.120 176.870 0.164 0.000 1.003 376 L CA -0.415 54.515 54.840 0.151 0.000 0.862 376 L CB 1.365 43.488 42.059 0.106 0.000 1.221 376 L HN 0.305 nan 8.230 nan 0.000 0.430 377 F N 5.049 125.065 119.950 0.110 0.000 2.060 377 F HA 0.003 4.532 4.527 0.004 0.000 0.295 377 F C 0.936 176.804 175.800 0.112 0.000 1.120 377 F CA 1.356 59.416 58.000 0.100 0.000 1.205 377 F CB 0.367 39.428 39.000 0.102 0.000 0.986 377 F HN 0.476 nan 8.300 nan 0.000 0.470 378 K N 0.107 120.768 120.400 0.435 0.000 2.502 378 K HA 0.269 4.591 4.320 0.004 0.000 0.257 378 K C -1.622 175.174 176.600 0.328 0.000 0.938 378 K CA -0.665 55.827 56.287 0.341 0.000 0.819 378 K CB 1.990 34.785 32.500 0.491 0.000 1.333 378 K HN 0.101 nan 8.250 nan 0.000 0.434 379 E N 2.482 122.804 120.200 0.205 0.000 2.256 379 E HA 0.279 4.631 4.350 0.004 0.000 0.268 379 E C -1.363 175.318 176.600 0.136 0.000 0.877 379 E CA -0.338 56.143 56.400 0.136 0.000 0.757 379 E CB 1.642 31.390 29.700 0.081 0.000 1.183 379 E HN 0.603 nan 8.360 nan 0.000 0.418 380 E N 1.434 121.705 120.200 0.117 0.000 2.433 380 E HA 0.475 4.828 4.350 0.004 0.000 0.264 380 E C -1.341 175.314 176.600 0.091 0.000 0.960 380 E CA -1.105 55.374 56.400 0.132 0.000 0.866 380 E CB 2.075 31.900 29.700 0.209 0.000 1.615 380 E HN 0.205 nan 8.360 nan 0.000 0.442 381 S N 0.191 115.965 115.700 0.123 0.000 2.647 381 S HA 0.345 4.817 4.470 0.004 0.000 0.300 381 S C -1.866 172.860 174.600 0.210 0.000 1.129 381 S CA -0.500 57.773 58.200 0.123 0.000 1.029 381 S CB 0.405 63.663 63.200 0.097 0.000 1.007 381 S HN 0.398 nan 8.310 nan 0.000 0.484 382 Y N 4.961 125.273 120.300 0.019 0.000 2.326 382 Y HA 0.554 5.106 4.550 0.003 0.000 0.337 382 Y C -0.620 175.351 175.900 0.118 0.000 1.023 382 Y CA -1.023 57.099 58.100 0.036 0.000 1.143 382 Y CB 0.690 39.091 38.460 -0.097 0.000 1.183 382 Y HN 0.458 nan 8.280 nan 0.000 0.485 383 L N 8.881 130.044 121.223 -0.099 0.000 2.305 383 L HA 0.489 4.831 4.340 0.004 0.000 0.284 383 L C -1.322 175.488 176.870 -0.100 0.000 1.013 383 L CA -0.200 54.632 54.840 -0.013 0.000 0.819 383 L CB 0.617 42.688 42.059 0.019 0.000 1.227 383 L HN 0.945 nan 8.230 nan 0.000 0.417 384 H N 1.217 120.174 119.070 -0.187 0.000 2.950 384 H HA 0.302 4.860 4.556 0.003 0.000 0.307 384 H C -1.212 174.176 175.328 0.101 0.000 1.403 384 H CA -0.686 55.294 56.048 -0.113 0.000 1.145 384 H CB 0.741 30.352 29.762 -0.251 0.000 1.844 384 H HN 0.446 nan 8.280 nan 0.000 0.515 385 S N 0.542 116.254 115.700 0.021 0.000 2.580 385 S HA 0.497 4.969 4.470 0.004 0.000 0.274 385 S C -0.560 174.112 174.600 0.121 0.000 1.329 385 S CA -0.392 57.867 58.200 0.097 0.000 1.036 385 S CB 0.705 64.015 63.200 0.183 0.000 0.919 385 S HN 0.696 nan 8.310 nan 0.000 0.515 386 Y N 1.827 122.184 120.300 0.095 0.000 2.558 386 Y HA 0.461 5.013 4.550 0.003 0.000 0.333 386 Y C -2.938 173.013 175.900 0.085 0.000 1.125 386 Y CA -2.023 56.121 58.100 0.073 0.000 1.039 386 Y CB 1.976 40.370 38.460 -0.109 0.000 1.331 386 Y HN 0.567 nan 8.280 nan 0.000 0.456 387 P HA 0.140 nan 4.420 nan 0.000 0.268 387 P C -1.359 175.875 177.300 -0.110 0.000 1.204 387 P CA 0.763 63.522 63.100 -0.568 0.000 0.768 387 P CB 0.822 32.021 31.700 -0.835 0.000 0.842 388 H N -0.187 118.813 119.070 -0.115 0.000 2.865 388 H HA 0.258 4.816 4.556 0.004 0.000 0.372 388 H C -0.221 175.129 175.328 0.037 0.000 1.173 388 H CA -0.575 55.485 56.048 0.020 0.000 1.147 388 H CB 0.644 30.445 29.762 0.064 0.000 1.805 388 H HN 0.418 nan 8.280 nan 0.000 0.553 389 c N 3.544 122.255 118.600 0.184 0.000 2.465 389 c HA -0.097 4.476 4.570 0.004 0.000 0.402 389 c C 1.542 175.746 174.090 0.190 0.000 1.448 389 c CA 0.083 56.500 56.329 0.146 0.000 1.589 389 c CB -0.786 41.762 42.510 0.064 0.000 2.535 389 c HN 0.923 nan 8.230 nan 0.000 0.600 390 W N 5.949 127.278 121.300 0.048 0.000 3.180 390 W HA 0.145 4.808 4.660 0.004 0.000 0.254 390 W C 1.154 177.712 176.519 0.064 0.000 1.318 390 W CA 0.129 57.511 57.345 0.063 0.000 1.608 390 W CB -0.857 28.656 29.460 0.087 0.000 1.124 390 W HN 0.659 nan 8.180 nan 0.000 0.694 391 R N 1.350 121.613 120.500 -0.395 0.000 2.580 391 R HA 0.081 4.423 4.340 0.004 0.000 0.161 391 R C 1.205 177.396 176.300 -0.182 0.000 1.659 391 R CA 0.900 56.752 56.100 -0.412 0.000 1.325 391 R CB -1.383 28.585 30.300 -0.553 0.000 1.254 391 R HN 0.109 nan 8.270 nan 0.000 0.474 392 c N 1.420 119.939 118.600 -0.135 0.000 2.703 392 c HA 0.353 4.926 4.570 0.004 0.000 0.411 392 c C 1.329 175.410 174.090 -0.015 0.000 1.290 392 c CA -0.519 55.771 56.329 -0.065 0.000 2.054 392 c CB 0.183 42.664 42.510 -0.048 0.000 2.732 392 c HN 0.408 nan 8.230 nan 0.000 0.650 393 S N 0.518 116.226 115.700 0.014 0.000 2.573 393 S HA 0.132 4.604 4.470 0.004 0.000 0.244 393 S C 0.788 175.497 174.600 0.182 0.000 0.984 393 S CA 0.066 58.314 58.200 0.079 0.000 1.001 393 S CB -0.620 62.603 63.200 0.037 0.000 0.788 393 S HN 1.049 nan 8.310 nan 0.000 0.456 394 T N 1.862 116.490 114.554 0.123 0.000 2.902 394 T HA 0.208 4.561 4.350 0.004 0.000 0.301 394 T C -2.923 171.847 174.700 0.118 0.000 1.012 394 T CA -1.514 60.661 62.100 0.124 0.000 1.151 394 T CB 0.053 68.976 68.868 0.092 0.000 0.946 394 T HN -0.072 nan 8.240 nan 0.000 0.542 395 P HA 0.112 nan 4.420 nan 0.000 0.261 395 P C -0.160 177.177 177.300 0.063 0.000 1.183 395 P CA -0.410 62.542 63.100 -0.245 0.000 0.761 395 P CB 0.270 31.881 31.700 -0.149 0.000 0.785 396 L N 4.557 125.795 121.223 0.026 0.000 2.466 396 L HA 0.502 4.845 4.340 0.004 0.000 0.257 396 L C 0.339 177.225 176.870 0.027 0.000 1.189 396 L CA 0.140 54.967 54.840 -0.021 0.000 0.813 396 L CB 0.187 42.127 42.059 -0.198 0.000 1.118 396 L HN 0.393 nan 8.230 nan 0.000 0.471 397 M N 1.353 120.880 119.600 -0.122 0.000 2.433 397 M HA 0.411 4.894 4.480 0.004 0.000 0.290 397 M C -1.897 174.362 176.300 -0.068 0.000 1.173 397 M CA -0.702 54.531 55.300 -0.113 0.000 0.905 397 M CB 1.851 34.108 32.600 -0.573 0.000 1.692 397 M HN 0.319 nan 8.290 nan 0.000 0.462 398 Y N 2.539 122.989 120.300 0.249 0.000 2.335 398 Y HA 0.504 5.057 4.550 0.004 0.000 0.331 398 Y C -0.957 175.192 175.900 0.416 0.000 1.094 398 Y CA 0.507 58.770 58.100 0.271 0.000 1.253 398 Y CB 0.730 39.321 38.460 0.217 0.000 1.203 398 Y HN 0.650 nan 8.280 nan 0.000 0.508 399 Y N 1.386 121.848 120.300 0.270 0.000 2.480 399 Y HA 0.649 5.201 4.550 0.004 0.000 0.329 399 Y C -1.252 174.677 175.900 0.048 0.000 1.127 399 Y CA -1.444 56.760 58.100 0.173 0.000 1.037 399 Y CB 1.161 39.602 38.460 -0.032 0.000 1.320 399 Y HN 0.675 nan 8.280 nan 0.000 0.446 400 A N 4.001 126.649 122.820 -0.288 0.000 2.354 400 A HA 0.630 4.952 4.320 0.004 0.000 0.281 400 A C -0.106 177.161 177.584 -0.529 0.000 1.174 400 A CA 0.658 52.522 52.037 -0.288 0.000 0.828 400 A CB 0.270 19.170 19.000 -0.167 0.000 1.099 400 A HN 0.830 nan 8.150 nan 0.000 0.516 401 T N 1.065 115.294 114.554 -0.542 0.000 2.769 401 T HA 0.392 4.744 4.350 0.004 0.000 0.306 401 T C -0.719 173.621 174.700 -0.600 0.000 1.400 401 T CA -0.559 61.205 62.100 -0.560 0.000 1.007 401 T CB 1.010 69.855 68.868 -0.038 0.000 1.392 401 T HN 0.794 nan 8.240 nan 0.000 0.500 402 E N 0.862 120.867 120.200 -0.324 0.000 2.398 402 E HA 0.477 4.830 4.350 0.004 0.000 0.263 402 E C -0.844 175.671 176.600 -0.141 0.000 1.046 402 E CA -0.026 56.295 56.400 -0.133 0.000 0.908 402 E CB 0.511 30.260 29.700 0.083 0.000 0.963 402 E HN 0.637 nan 8.360 nan 0.000 0.431 403 S N 2.982 118.538 115.700 -0.239 0.000 2.543 403 S HA 0.380 4.852 4.470 0.004 0.000 0.274 403 S C -2.127 172.149 174.600 -0.540 0.000 1.149 403 S CA -0.743 57.191 58.200 -0.444 0.000 0.866 403 S CB 0.385 63.265 63.200 -0.533 0.000 1.111 403 S HN 0.530 nan 8.310 nan 0.000 0.457 404 W N 3.643 124.524 121.300 -0.697 0.000 2.520 404 W HA 0.745 5.407 4.660 0.004 0.000 0.323 404 W C -0.760 175.363 176.519 -0.661 0.000 1.062 404 W CA -0.388 56.660 57.345 -0.493 0.000 1.215 404 W CB 1.131 30.332 29.460 -0.432 0.000 1.340 404 W HN 0.506 nan 8.180 nan 0.000 0.516 405 F N 2.228 121.963 119.950 -0.358 0.000 2.640 405 F HA 0.647 5.177 4.527 0.004 0.000 0.324 405 F C -0.236 175.380 175.800 -0.307 0.000 1.077 405 F CA -1.665 56.118 58.000 -0.362 0.000 0.965 405 F CB 0.927 39.639 39.000 -0.479 0.000 1.351 405 F HN -0.094 nan 8.300 nan 0.000 0.487 406 I N 1.091 121.719 120.570 0.096 0.000 2.389 406 I HA 0.286 4.459 4.170 0.004 0.000 0.288 406 I C -0.041 176.246 176.117 0.284 0.000 0.999 406 I CA -0.815 60.562 61.300 0.127 0.000 1.129 406 I CB 1.775 39.773 38.000 -0.003 0.000 1.288 406 I HN 0.481 nan 8.210 nan 0.000 0.444 407 K N 5.025 125.632 120.400 0.344 0.000 2.978 407 K HA -0.039 4.284 4.320 0.004 0.000 0.261 407 K C 1.159 177.949 176.600 0.317 0.000 1.181 407 K CA 0.023 56.510 56.287 0.334 0.000 1.164 407 K CB -0.576 32.086 32.500 0.269 0.000 1.331 407 K HN 0.627 nan 8.250 nan 0.000 0.266 408 N N -1.291 117.605 118.700 0.327 0.000 2.381 408 N HA -0.165 4.578 4.740 0.004 0.000 0.182 408 N C 1.159 176.834 175.510 0.276 0.000 1.025 408 N CA 1.209 54.466 53.050 0.346 0.000 0.888 408 N CB -0.032 38.658 38.487 0.338 0.000 0.965 408 N HN 0.109 nan 8.380 nan 0.000 0.438 409 T N -0.611 114.045 114.554 0.171 0.000 3.007 409 T HA 0.030 4.383 4.350 0.004 0.000 0.270 409 T C 1.637 176.353 174.700 0.027 0.000 1.107 409 T CA 0.351 62.495 62.100 0.072 0.000 1.118 409 T CB -0.286 68.593 68.868 0.018 0.000 0.889 409 T HN 0.196 nan 8.240 nan 0.000 0.506 410 L N -0.565 120.674 121.223 0.026 0.000 2.549 410 L HA 0.129 4.472 4.340 0.004 0.000 0.229 410 L C 0.881 177.489 176.870 -0.436 0.000 1.158 410 L CA 1.104 55.829 54.840 -0.192 0.000 0.842 410 L CB -0.321 41.600 42.059 -0.231 0.000 0.952 410 L HN 0.309 nan 8.230 nan 0.000 0.452 411 F N -1.991 117.959 119.950 -0.001 0.000 2.772 411 F HA 0.141 4.670 4.527 0.004 0.000 0.316 411 F C 1.852 177.640 175.800 -0.020 0.000 1.114 411 F CA -0.342 57.654 58.000 -0.007 0.000 1.191 411 F CB 0.030 39.031 39.000 0.001 0.000 1.065 411 F HN -0.190 nan 8.300 nan 0.000 0.534 412 K N 0.823 121.280 120.400 0.094 0.000 2.107 412 K HA -0.257 4.065 4.320 0.004 0.000 0.211 412 K C 0.987 177.600 176.600 0.022 0.000 1.049 412 K CA 2.327 58.635 56.287 0.034 0.000 0.927 412 K CB -0.044 32.446 32.500 -0.015 0.000 0.714 412 K HN 0.195 nan 8.250 nan 0.000 0.452 413 D N -0.142 120.269 120.400 0.017 0.000 2.162 413 D HA -0.100 4.543 4.640 0.004 0.000 0.203 413 D C 1.796 178.123 176.300 0.044 0.000 0.967 413 D CA 0.842 54.851 54.000 0.015 0.000 0.840 413 D CB -0.031 40.767 40.800 -0.004 0.000 0.972 413 D HN 0.227 nan 8.370 nan 0.000 0.482 414 E N 0.430 120.680 120.200 0.084 0.000 2.051 414 E HA -0.095 4.258 4.350 0.004 0.000 0.192 414 E C 2.135 178.782 176.600 0.078 0.000 0.991 414 E CA 0.694 57.160 56.400 0.110 0.000 0.799 414 E CB -0.253 29.573 29.700 0.211 0.000 0.748 414 E HN 0.208 nan 8.360 nan 0.000 0.449 415 L N 0.252 121.506 121.223 0.052 0.000 2.081 415 L HA -0.210 4.133 4.340 0.004 0.000 0.212 415 L C 2.371 179.276 176.870 0.059 0.000 1.080 415 L CA 1.063 55.876 54.840 -0.045 0.000 0.754 415 L CB -0.478 41.535 42.059 -0.076 0.000 0.893 415 L HN 0.248 nan 8.230 nan 0.000 0.433 416 I N -0.868 119.732 120.570 0.050 0.000 2.546 416 I HA -0.211 3.962 4.170 0.004 0.000 0.255 416 I C 2.770 178.939 176.117 0.086 0.000 1.163 416 I CA 0.786 62.120 61.300 0.057 0.000 1.457 416 I CB -0.359 37.646 38.000 0.008 0.000 1.092 416 I HN 0.286 nan 8.210 nan 0.000 0.434 417 R N 1.494 122.042 120.500 0.079 0.000 2.062 417 R HA -0.136 4.206 4.340 0.004 0.000 0.231 417 R C 2.105 178.466 176.300 0.102 0.000 1.136 417 R CA 1.622 57.767 56.100 0.075 0.000 0.948 417 R CB -0.099 30.239 30.300 0.063 0.000 0.845 417 R HN 0.372 nan 8.270 nan 0.000 0.430 418 N N 0.846 119.628 118.700 0.137 0.000 2.223 418 N HA -0.210 4.533 4.740 0.004 0.000 0.185 418 N C 1.428 177.056 175.510 0.196 0.000 1.016 418 N CA 1.022 54.174 53.050 0.170 0.000 0.863 418 N CB -0.512 38.110 38.487 0.224 0.000 0.983 418 N HN 0.432 nan 8.380 nan 0.000 0.429 419 N N 1.142 120.034 118.700 0.320 0.000 2.348 419 N HA -0.150 4.592 4.740 0.004 0.000 0.185 419 N C 1.148 176.790 175.510 0.220 0.000 1.019 419 N CA 0.725 53.953 53.050 0.298 0.000 0.880 419 N CB 0.241 38.957 38.487 0.381 0.000 0.965 419 N HN 0.258 nan 8.380 nan 0.000 0.437 420 Q N 0.831 120.718 119.800 0.145 0.000 2.123 420 Q HA -0.084 4.258 4.340 0.004 0.000 0.199 420 Q C 1.589 177.639 176.000 0.082 0.000 0.966 420 Q CA 0.982 56.850 55.803 0.109 0.000 0.845 420 Q CB -0.188 28.594 28.738 0.073 0.000 0.907 420 Q HN 0.593 nan 8.270 nan 0.000 0.439 421 E N 0.564 120.788 120.200 0.041 0.000 2.077 421 E HA -0.061 4.292 4.350 0.004 0.000 0.193 421 E C 0.580 177.142 176.600 -0.063 0.000 0.989 421 E CA 0.100 56.491 56.400 -0.014 0.000 0.800 421 E CB -0.084 29.593 29.700 -0.037 0.000 0.746 421 E HN 0.299 nan 8.360 nan 0.000 0.452 422 I N 1.929 122.427 120.570 -0.120 0.000 2.815 422 I HA -0.136 4.036 4.170 0.004 0.000 0.291 422 I C 0.852 176.853 176.117 -0.193 0.000 1.209 422 I CA 0.555 61.675 61.300 -0.300 0.000 1.431 422 I CB 0.091 37.760 38.000 -0.552 0.000 1.351 422 I HN 0.184 nan 8.210 nan 0.000 0.585 423 H N 6.556 125.379 119.070 -0.411 0.000 2.741 423 H HA 0.178 4.737 4.556 0.004 0.000 0.282 423 H C -1.362 173.700 175.328 -0.443 0.000 1.122 423 H CA -0.849 55.021 56.048 -0.297 0.000 1.293 423 H CB 0.372 29.980 29.762 -0.256 0.000 1.415 423 H HN 0.494 nan 8.280 nan 0.000 0.472 424 W N 5.460 126.567 121.300 -0.321 0.000 2.335 424 W HA 0.130 4.794 4.660 0.006 0.000 0.306 424 W C 1.063 177.314 176.519 -0.447 0.000 1.216 424 W CA -0.546 56.588 57.345 -0.353 0.000 1.237 424 W CB 0.992 30.330 29.460 -0.203 0.000 1.243 424 W HN 0.401 nan 8.180 nan 0.000 0.493 425 V N 5.067 124.784 119.914 -0.329 0.000 2.214 425 V HA -0.184 3.939 4.120 0.004 0.000 0.245 425 V C -1.528 174.534 176.094 -0.053 0.000 1.047 425 V CA 1.380 63.525 62.300 -0.258 0.000 0.998 425 V CB -1.319 30.380 31.823 -0.207 0.000 0.633 425 V HN 0.285 nan 8.190 nan 0.000 0.446 426 P HA 0.135 nan 4.420 nan 0.000 0.269 426 P C -2.197 175.213 177.300 0.184 0.000 1.252 426 P CA -1.191 62.000 63.100 0.151 0.000 0.780 426 P CB 0.596 32.409 31.700 0.189 0.000 0.829 427 P HA -0.186 nan 4.420 nan 0.000 0.215 427 P C 0.909 178.301 177.300 0.153 0.000 1.153 427 P CA 1.405 64.601 63.100 0.159 0.000 0.853 427 P CB -0.606 31.172 31.700 0.130 0.000 0.788 428 H N -1.654 117.418 119.070 0.004 0.000 2.602 428 H HA 0.137 4.695 4.556 0.003 0.000 0.285 428 H C 1.155 176.437 175.328 -0.077 0.000 1.093 428 H CA 0.107 56.140 56.048 -0.026 0.000 1.201 428 H CB -1.186 28.566 29.762 -0.016 0.000 1.294 428 H HN 0.183 nan 8.280 nan 0.000 0.633 429 I N -0.791 119.582 120.570 -0.329 0.000 4.187 429 I HA 0.018 4.191 4.170 0.004 0.000 0.326 429 I C 2.147 177.872 176.117 -0.654 0.000 1.302 429 I CA -0.105 60.880 61.300 -0.524 0.000 1.196 429 I CB 0.160 37.856 38.000 -0.507 0.000 1.095 429 I HN 0.190 nan 8.210 nan 0.000 0.411 430 K N 1.540 121.613 120.400 -0.546 0.000 2.001 430 K HA -0.188 4.135 4.320 0.004 0.000 0.208 430 K C 1.784 178.236 176.600 -0.246 0.000 1.048 430 K CA 1.874 57.868 56.287 -0.488 0.000 0.932 430 K CB 0.236 32.699 32.500 -0.063 0.000 0.715 430 K HN 0.172 nan 8.250 nan 0.000 0.437 431 E N -0.334 119.777 120.200 -0.147 0.000 2.021 431 E HA 0.022 4.375 4.350 0.004 0.000 0.189 431 E C 1.662 178.190 176.600 -0.119 0.000 0.980 431 E CA 1.038 57.382 56.400 -0.094 0.000 0.803 431 E CB -0.650 29.026 29.700 -0.041 0.000 0.766 431 E HN 0.390 nan 8.360 nan 0.000 0.449 432 G N 1.057 109.776 108.800 -0.136 0.000 2.622 432 G HA2 -0.284 3.679 3.960 0.004 0.000 0.156 432 G HA3 -0.284 3.679 3.960 0.004 0.000 0.156 432 G C 1.323 176.125 174.900 -0.164 0.000 1.775 432 G CA 0.705 45.722 45.100 -0.138 0.000 0.928 432 G HN 0.176 nan 8.290 nan 0.000 0.384 433 R N -1.256 119.115 120.500 -0.215 0.000 2.208 433 R HA -0.251 4.092 4.340 0.004 0.000 0.262 433 R C 2.137 178.378 176.300 -0.099 0.000 1.166 433 R CA 2.488 58.486 56.100 -0.171 0.000 0.987 433 R CB -0.747 29.415 30.300 -0.231 0.000 0.887 433 R HN 0.558 nan 8.270 nan 0.000 0.459 434 Y N -1.303 118.784 120.300 -0.355 0.000 2.535 434 Y HA 0.369 4.921 4.550 0.004 0.000 0.266 434 Y C 1.908 177.729 175.900 -0.132 0.000 1.088 434 Y CA 0.613 58.539 58.100 -0.288 0.000 1.285 434 Y CB -0.177 37.932 38.460 -0.584 0.000 1.166 434 Y HN 0.096 nan 8.280 nan 0.000 0.525 435 G N 0.082 108.746 108.800 -0.227 0.000 2.421 435 G HA2 -0.294 3.669 3.960 0.004 0.000 0.216 435 G HA3 -0.294 3.669 3.960 0.004 0.000 0.216 435 G C 1.465 176.268 174.900 -0.161 0.000 1.171 435 G CA 1.086 46.066 45.100 -0.201 0.000 0.775 435 G HN 0.387 nan 8.290 nan 0.000 0.543 436 E N -0.410 119.727 120.200 -0.104 0.000 2.070 436 E HA -0.187 4.165 4.350 0.004 0.000 0.197 436 E C 1.980 178.554 176.600 -0.045 0.000 1.004 436 E CA 1.305 57.668 56.400 -0.061 0.000 0.805 436 E CB -0.379 29.305 29.700 -0.028 0.000 0.744 436 E HN 0.556 nan 8.360 nan 0.000 0.451 437 W N 0.414 121.588 121.300 -0.209 0.000 2.374 437 W HA -0.113 4.549 4.660 0.003 0.000 0.288 437 W C 1.722 178.106 176.519 -0.225 0.000 1.218 437 W CA 1.296 58.526 57.345 -0.191 0.000 1.245 437 W CB -0.190 29.163 29.460 -0.178 0.000 1.126 437 W HN 0.121 nan 8.180 nan 0.000 0.545 438 L N -0.064 121.038 121.223 -0.201 0.000 2.056 438 L HA -0.197 4.146 4.340 0.004 0.000 0.207 438 L C 2.381 179.133 176.870 -0.198 0.000 1.078 438 L CA 1.400 56.097 54.840 -0.239 0.000 0.749 438 L CB -0.800 41.102 42.059 -0.262 0.000 0.901 438 L HN -0.169 nan 8.230 nan 0.000 0.433 439 K N 0.268 120.571 120.400 -0.163 0.000 2.280 439 K HA -0.122 4.201 4.320 0.004 0.000 0.202 439 K C 0.874 177.384 176.600 -0.150 0.000 1.047 439 K CA 1.178 57.389 56.287 -0.127 0.000 0.942 439 K CB -0.009 32.434 32.500 -0.095 0.000 0.739 439 K HN 0.436 nan 8.250 nan 0.000 0.457 440 N N 0.140 118.708 118.700 -0.220 0.000 2.275 440 N HA 0.110 4.852 4.740 0.004 0.000 0.236 440 N C -0.687 174.618 175.510 -0.342 0.000 1.154 440 N CA -0.348 52.558 53.050 -0.241 0.000 0.866 440 N CB 0.564 38.913 38.487 -0.230 0.000 1.093 440 N HN 0.024 nan 8.380 nan 0.000 0.515 441 L N 1.701 122.715 121.223 -0.347 0.000 2.554 441 L HA -0.009 4.334 4.340 0.004 0.000 0.293 441 L C -0.185 176.545 176.870 -0.235 0.000 1.252 441 L CA 0.853 55.471 54.840 -0.370 0.000 0.862 441 L CB 0.495 42.430 42.059 -0.207 0.000 1.113 441 L HN -0.073 nan 8.230 nan 0.000 0.510 442 V N 2.113 121.906 119.914 -0.202 0.000 2.971 442 V HA 0.227 4.349 4.120 0.004 0.000 0.309 442 V C -0.648 175.487 176.094 0.068 0.000 1.130 442 V CA -1.079 61.184 62.300 -0.062 0.000 0.964 442 V CB 2.196 33.985 31.823 -0.057 0.000 1.029 442 V HN 0.651 nan 8.190 nan 0.000 0.427 443 D N 1.921 122.401 120.400 0.134 0.000 2.506 443 D HA -0.022 4.621 4.640 0.004 0.000 0.234 443 D C -0.468 176.103 176.300 0.453 0.000 1.143 443 D CA 0.309 54.472 54.000 0.272 0.000 0.871 443 D CB 0.473 41.394 40.800 0.201 0.000 1.190 443 D HN 0.500 nan 8.370 nan 0.000 0.459 444 W N 2.908 124.387 121.300 0.299 0.000 2.387 444 W HA 0.484 5.147 4.660 0.005 0.000 0.310 444 W C -0.676 175.990 176.519 0.245 0.000 1.181 444 W CA -1.997 55.531 57.345 0.305 0.000 1.333 444 W CB -0.187 29.485 29.460 0.353 0.000 1.286 444 W HN 0.310 nan 8.180 nan 0.000 0.455 445 A N 7.570 130.667 122.820 0.460 0.000 2.541 445 A HA 0.168 4.491 4.320 0.004 0.000 0.293 445 A C 0.744 178.323 177.584 -0.008 0.000 1.307 445 A CA -0.156 51.830 52.037 -0.086 0.000 0.978 445 A CB -0.092 18.860 19.000 -0.081 0.000 1.111 445 A HN 0.870 nan 8.150 nan 0.000 0.535 446 L N 3.910 124.984 121.223 -0.248 0.000 2.022 446 L HA 0.021 4.363 4.340 0.004 0.000 0.204 446 L C 1.873 178.659 176.870 -0.139 0.000 1.076 446 L CA 2.106 56.797 54.840 -0.247 0.000 0.749 446 L CB -0.588 41.217 42.059 -0.422 0.000 0.903 446 L HN 0.723 nan 8.230 nan 0.000 0.439 447 S N 1.448 117.019 115.700 -0.215 0.000 2.558 447 S HA 0.152 4.625 4.470 0.004 0.000 0.291 447 S C 0.002 174.596 174.600 -0.009 0.000 1.306 447 S CA -0.365 57.751 58.200 -0.141 0.000 1.056 447 S CB 0.188 63.181 63.200 -0.345 0.000 0.836 447 S HN 0.338 nan 8.310 nan 0.000 0.504 448 R N 2.058 122.611 120.500 0.088 0.000 2.574 448 R HA 0.330 4.673 4.340 0.004 0.000 0.288 448 R C -1.143 175.204 176.300 0.079 0.000 1.004 448 R CA -0.663 55.490 56.100 0.087 0.000 0.895 448 R CB 1.417 31.761 30.300 0.073 0.000 1.191 448 R HN 0.718 nan 8.270 nan 0.000 0.444 449 N N 3.728 122.447 118.700 0.032 0.000 3.083 449 N HA 0.196 4.938 4.740 0.004 0.000 0.260 449 N C -0.170 175.172 175.510 -0.279 0.000 1.163 449 N CA -0.213 52.775 53.050 -0.104 0.000 1.060 449 N CB 0.744 39.222 38.487 -0.015 0.000 1.345 449 N HN 0.224 nan 8.380 nan 0.000 0.515 450 R N 0.178 120.448 120.500 -0.384 0.000 3.003 450 R HA 0.380 4.723 4.340 0.004 0.000 0.251 450 R C 0.152 176.006 176.300 -0.743 0.000 1.265 450 R CA -0.558 55.241 56.100 -0.503 0.000 1.026 450 R CB 0.125 30.378 30.300 -0.078 0.000 1.307 450 R HN 0.233 nan 8.270 nan 0.000 0.475 451 Y N -1.831 118.552 120.300 0.140 0.000 2.467 451 Y HA 0.314 4.867 4.550 0.004 0.000 0.259 451 Y C 0.397 176.525 175.900 0.379 0.000 1.084 451 Y CA -0.506 57.723 58.100 0.216 0.000 1.275 451 Y CB 1.180 39.765 38.460 0.208 0.000 1.208 451 Y HN 0.374 nan 8.280 nan 0.000 0.511 452 W N 1.614 123.069 121.300 0.258 0.000 2.393 452 W HA 0.554 5.216 4.660 0.004 0.000 0.315 452 W C -0.561 175.958 176.519 0.000 0.000 1.009 452 W CA -0.474 56.972 57.345 0.169 0.000 1.313 452 W CB 1.282 30.842 29.460 0.166 0.000 1.269 452 W HN 0.126 nan 8.180 nan 0.000 0.420 453 G N 2.127 110.590 108.800 -0.561 0.000 2.321 453 G HA2 0.175 4.138 3.960 0.004 0.000 0.296 453 G HA3 0.175 4.138 3.960 0.004 0.000 0.296 453 G C -1.335 173.028 174.900 -0.894 0.000 1.287 453 G CA -0.801 43.686 45.100 -1.022 0.000 0.846 453 G HN 0.069 nan 8.290 nan 0.000 0.508 454 T N 3.068 117.297 114.554 -0.540 0.000 2.761 454 T HA 0.510 4.863 4.350 0.004 0.000 0.296 454 T C -2.392 172.278 174.700 -0.049 0.000 0.934 454 T CA -0.445 61.537 62.100 -0.197 0.000 1.091 454 T CB 1.338 70.246 68.868 0.067 0.000 0.896 454 T HN 0.272 nan 8.240 nan 0.000 0.515 455 P HA 0.122 nan 4.420 nan 0.000 0.268 455 P C -0.431 176.892 177.300 0.038 0.000 1.205 455 P CA -0.755 62.386 63.100 0.068 0.000 0.771 455 P CB 0.413 32.239 31.700 0.210 0.000 0.858 456 L N 6.673 127.803 121.223 -0.155 0.000 2.369 456 L HA 0.227 4.570 4.340 0.004 0.000 0.279 456 L C -1.593 174.983 176.870 -0.490 0.000 1.108 456 L CA -2.016 52.624 54.840 -0.334 0.000 0.852 456 L CB 0.095 41.901 42.059 -0.421 0.000 1.169 456 L HN 0.332 nan 8.230 nan 0.000 0.452 457 P HA -0.026 nan 4.420 nan 0.000 0.279 457 P C -0.107 176.965 177.300 -0.381 0.000 1.451 457 P CA 0.591 63.233 63.100 -0.764 0.000 0.783 457 P CB -0.336 30.604 31.700 -1.266 0.000 1.490 458 I N -0.063 120.171 120.570 -0.559 0.000 2.336 458 I HA 0.286 4.459 4.170 0.004 0.000 0.292 458 I C 0.482 176.393 176.117 -0.344 0.000 0.991 458 I CA -0.578 60.441 61.300 -0.469 0.000 1.227 458 I CB 1.200 38.706 38.000 -0.823 0.000 1.366 458 I HN -0.067 nan 8.210 nan 0.000 0.466 459 W N 5.786 126.923 121.300 -0.272 0.000 2.520 459 W HA 0.550 5.212 4.660 0.004 0.000 0.323 459 W C -0.898 175.593 176.519 -0.048 0.000 1.062 459 W CA -0.678 56.589 57.345 -0.130 0.000 1.215 459 W CB 2.145 31.538 29.460 -0.111 0.000 1.340 459 W HN 0.098 nan 8.180 nan 0.000 0.516 460 V N 2.983 122.973 119.914 0.126 0.000 2.513 460 V HA 0.103 4.225 4.120 0.004 0.000 0.299 460 V C 0.079 176.252 176.094 0.132 0.000 1.035 460 V CA -0.974 61.405 62.300 0.133 0.000 0.889 460 V CB 1.723 33.613 31.823 0.112 0.000 0.988 460 V HN 0.615 nan 8.190 nan 0.000 0.440 461 c N 4.417 123.091 118.600 0.123 0.000 2.667 461 c HA 0.045 4.618 4.570 0.004 0.000 0.392 461 c C 2.050 176.191 174.090 0.085 0.000 1.332 461 c CA 0.106 56.495 56.329 0.100 0.000 1.594 461 c CB -1.110 41.452 42.510 0.086 0.000 2.345 461 c HN 1.081 nan 8.230 nan 0.000 0.594 462 Q N 3.210 123.058 119.800 0.080 0.000 2.344 462 Q HA -0.242 4.101 4.340 0.004 0.000 0.212 462 Q C 1.691 177.723 176.000 0.054 0.000 0.991 462 Q CA 2.271 58.112 55.803 0.064 0.000 0.897 462 Q CB 0.161 28.935 28.738 0.061 0.000 0.915 462 Q HN 0.985 nan 8.270 nan 0.000 0.438 463 A N -1.867 120.985 122.820 0.053 0.000 1.857 463 A HA 0.078 4.400 4.320 0.004 0.000 0.198 463 A C 1.309 178.918 177.584 0.042 0.000 1.775 463 A CA 0.222 52.285 52.037 0.043 0.000 1.281 463 A CB -0.497 18.525 19.000 0.037 0.000 1.355 463 A HN 0.541 nan 8.150 nan 0.000 0.417 464 c N -0.083 118.545 118.600 0.046 0.000 1.862 464 c HA 0.590 5.163 4.570 0.004 0.000 0.228 464 c C 2.116 176.235 174.090 0.049 0.000 2.978 464 c CA -0.020 56.334 56.329 0.043 0.000 1.737 464 c CB -1.426 41.110 42.510 0.044 0.000 1.924 464 c HN 0.650 nan 8.230 nan 0.000 0.433 465 G N 0.237 109.068 108.800 0.051 0.000 2.421 465 G HA2 0.430 4.393 3.960 0.004 0.000 0.238 465 G HA3 0.430 4.393 3.960 0.004 0.000 0.238 465 G C -0.100 174.847 174.900 0.079 0.000 1.544 465 G CA 0.086 45.221 45.100 0.059 0.000 1.044 465 G HN 0.913 nan 8.290 nan 0.000 0.537 466 K N -1.053 119.409 120.400 0.102 0.000 2.128 466 K HA 0.195 4.518 4.320 0.004 0.000 0.254 466 K C -0.659 176.049 176.600 0.181 0.000 0.872 466 K CA -0.693 55.675 56.287 0.136 0.000 0.733 466 K CB 0.693 33.277 32.500 0.140 0.000 1.521 466 K HN 0.707 nan 8.250 nan 0.000 0.406 467 E N 2.374 122.717 120.200 0.238 0.000 3.388 467 E HA -0.255 4.097 4.350 0.004 0.000 0.340 467 E C -0.902 175.860 176.600 0.271 0.000 0.735 467 E CA 1.284 57.858 56.400 0.289 0.000 1.152 467 E CB -0.152 29.858 29.700 0.517 0.000 0.865 467 E HN 0.401 nan 8.360 nan 0.000 0.490 468 E N 0.188 120.421 120.200 0.056 0.000 2.383 468 E HA 0.596 4.949 4.350 0.004 0.000 0.275 468 E C -1.519 174.878 176.600 -0.339 0.000 0.918 468 E CA -0.862 55.521 56.400 -0.027 0.000 0.764 468 E CB 2.180 31.907 29.700 0.044 0.000 1.252 468 E HN 0.662 nan 8.360 nan 0.000 0.449 469 A N 2.454 125.026 122.820 -0.412 0.000 2.330 469 A HA 0.568 4.891 4.320 0.004 0.000 0.313 469 A C -0.996 176.444 177.584 -0.239 0.000 1.124 469 A CA -0.551 51.208 52.037 -0.464 0.000 0.774 469 A CB 0.406 19.011 19.000 -0.657 0.000 1.198 469 A HN 0.394 nan 8.150 nan 0.000 0.465 470 I N 2.424 122.842 120.570 -0.252 0.000 2.371 470 I HA 0.383 4.556 4.170 0.004 0.000 0.290 470 I C 1.380 177.436 176.117 -0.101 0.000 1.028 470 I CA 0.615 61.782 61.300 -0.222 0.000 1.345 470 I CB 1.813 39.572 38.000 -0.402 0.000 1.407 470 I HN 0.732 nan 8.210 nan 0.000 0.501 471 G N 3.631 112.459 108.800 0.047 0.000 3.159 471 G HA2 0.305 4.267 3.960 0.004 0.000 0.232 471 G HA3 0.305 4.267 3.960 0.004 0.000 0.232 471 G C 0.028 175.144 174.900 0.361 0.000 1.116 471 G CA 0.529 45.742 45.100 0.188 0.000 0.767 471 G HN 0.641 nan 8.290 nan 0.000 0.547 472 S N -1.411 114.469 115.700 0.300 0.000 2.552 472 S HA 0.448 4.921 4.470 0.004 0.000 0.272 472 S C 0.081 174.806 174.600 0.208 0.000 1.150 472 S CA -0.667 57.670 58.200 0.227 0.000 0.849 472 S CB 0.628 64.039 63.200 0.352 0.000 1.113 472 S HN -0.152 nan 8.310 nan 0.000 0.458 473 F N 1.316 121.371 119.950 0.175 0.000 2.250 473 F HA -0.007 4.523 4.527 0.004 0.000 0.301 473 F C 2.746 178.550 175.800 0.008 0.000 1.077 473 F CA 1.466 59.514 58.000 0.081 0.000 1.348 473 F CB -0.947 38.074 39.000 0.035 0.000 1.040 473 F HN 0.785 nan 8.300 nan 0.000 0.509 474 Q N 1.026 120.939 119.800 0.188 0.000 2.020 474 Q HA -0.198 4.144 4.340 0.004 0.000 0.202 474 Q C 1.938 177.976 176.000 0.064 0.000 0.982 474 Q CA 2.155 58.026 55.803 0.112 0.000 0.838 474 Q CB -0.461 28.349 28.738 0.120 0.000 0.899 474 Q HN 0.505 nan 8.270 nan 0.000 0.423 475 E N 0.314 120.555 120.200 0.069 0.000 2.023 475 E HA -0.206 4.147 4.350 0.004 0.000 0.196 475 E C 2.126 178.694 176.600 -0.054 0.000 1.003 475 E CA 1.270 57.674 56.400 0.007 0.000 0.809 475 E CB -0.467 29.237 29.700 0.006 0.000 0.755 475 E HN 0.371 nan 8.360 nan 0.000 0.449 476 L N 1.121 122.317 121.223 -0.045 0.000 2.034 476 L HA -0.308 4.035 4.340 0.004 0.000 0.217 476 L C 2.592 179.368 176.870 -0.157 0.000 1.077 476 L CA 1.753 56.502 54.840 -0.150 0.000 0.769 476 L CB -0.303 41.750 42.059 -0.011 0.000 0.890 476 L HN 0.103 nan 8.230 nan 0.000 0.435 477 K N 0.238 120.578 120.400 -0.099 0.000 2.063 477 K HA -0.167 4.155 4.320 0.004 0.000 0.208 477 K C 1.846 178.395 176.600 -0.084 0.000 1.048 477 K CA 1.942 58.164 56.287 -0.109 0.000 0.928 477 K CB -0.479 31.980 32.500 -0.068 0.000 0.713 477 K HN 0.381 nan 8.250 nan 0.000 0.442 478 A N 0.566 123.347 122.820 -0.064 0.000 1.929 478 A HA -0.059 4.264 4.320 0.004 0.000 0.216 478 A C 2.010 179.550 177.584 -0.072 0.000 1.176 478 A CA 1.118 53.124 52.037 -0.053 0.000 0.628 478 A CB -0.317 18.664 19.000 -0.032 0.000 0.816 478 A HN 0.192 nan 8.150 nan 0.000 0.444 479 R N 0.136 120.568 120.500 -0.114 0.000 2.153 479 R HA 0.188 4.531 4.340 0.004 0.000 0.218 479 R C 1.190 177.409 176.300 -0.134 0.000 1.072 479 R CA 0.690 56.709 56.100 -0.136 0.000 0.990 479 R CB -1.360 28.813 30.300 -0.211 0.000 0.889 479 R HN 0.455 nan 8.270 nan 0.000 0.452 480 A N 1.140 123.874 122.820 -0.144 0.000 2.520 480 A HA 0.084 4.406 4.320 0.004 0.000 0.235 480 A C 1.430 178.985 177.584 -0.049 0.000 1.065 480 A CA 0.651 52.627 52.037 -0.101 0.000 0.764 480 A CB 0.236 19.178 19.000 -0.097 0.000 1.002 480 A HN 0.447 nan 8.150 nan 0.000 0.502 481 T N 0.530 115.073 114.554 -0.017 0.000 2.684 481 T HA 0.060 4.413 4.350 0.004 0.000 0.253 481 T C 0.698 175.401 174.700 0.005 0.000 1.057 481 T CA 0.679 62.780 62.100 0.002 0.000 1.162 481 T CB -0.241 68.640 68.868 0.022 0.000 0.868 481 T HN 0.537 nan 8.240 nan 0.000 0.409 482 K N 3.267 123.678 120.400 0.018 0.000 2.218 482 K HA 0.376 4.698 4.320 0.004 0.000 0.276 482 K C -2.401 174.204 176.600 0.009 0.000 1.022 482 K CA -2.482 53.818 56.287 0.021 0.000 0.946 482 K CB 0.306 32.830 32.500 0.040 0.000 1.000 482 K HN 0.365 nan 8.250 nan 0.000 0.468 483 P HA 0.093 nan 4.420 nan 0.000 0.268 483 P C -0.035 177.262 177.300 -0.006 0.000 1.205 483 P CA -0.187 62.907 63.100 -0.010 0.000 0.771 483 P CB 0.577 32.275 31.700 -0.004 0.000 0.858 484 L N 4.248 125.444 121.223 -0.044 0.000 2.483 484 L HA 0.173 4.515 4.340 0.004 0.000 0.275 484 L C -1.160 175.725 176.870 0.024 0.000 1.220 484 L CA -1.587 53.224 54.840 -0.047 0.000 0.833 484 L CB -0.650 41.276 42.059 -0.221 0.000 1.102 484 L HN 0.368 nan 8.230 nan 0.000 0.490 485 P HA 0.032 nan 4.420 nan 0.000 0.269 485 P C -0.047 177.292 177.300 0.064 0.000 1.215 485 P CA -0.273 62.879 63.100 0.087 0.000 0.780 485 P CB 0.669 32.436 31.700 0.111 0.000 0.898 486 E N 1.755 121.972 120.200 0.029 0.000 2.065 486 E HA -0.146 4.207 4.350 0.004 0.000 0.201 486 E C -1.115 175.496 176.600 0.018 0.000 1.016 486 E CA 1.232 57.642 56.400 0.016 0.000 0.818 486 E CB -1.699 28.003 29.700 0.004 0.000 0.749 486 E HN 0.571 nan 8.360 nan 0.000 0.453 487 P HA 0.165 nan 4.420 nan 0.000 0.247 487 P C -1.411 175.874 177.300 -0.025 0.000 1.683 487 P CA -0.500 62.587 63.100 -0.021 0.000 1.143 487 P CB -0.048 31.620 31.700 -0.054 0.000 1.577 488 F N 3.206 123.067 119.950 -0.148 0.000 2.494 488 F HA 0.191 4.721 4.527 0.004 0.000 0.369 488 F C 0.212 175.895 175.800 -0.195 0.000 1.098 488 F CA -0.558 57.331 58.000 -0.184 0.000 1.154 488 F CB 0.164 39.007 39.000 -0.262 0.000 1.103 488 F HN 0.140 nan 8.300 nan 0.000 0.549 489 D N 9.174 129.109 120.400 -0.776 0.000 2.412 489 D HA 0.231 4.874 4.640 0.004 0.000 0.224 489 D C -2.358 173.467 176.300 -0.791 0.000 1.093 489 D CA -2.634 51.027 54.000 -0.566 0.000 0.850 489 D CB 1.202 41.894 40.800 -0.181 0.000 1.046 489 D HN 0.291 nan 8.370 nan 0.000 0.507 490 P HA 0.050 nan 4.420 nan 0.000 0.238 490 P C -0.735 176.492 177.300 -0.121 0.000 1.714 490 P CA 0.047 62.849 63.100 -0.497 0.000 0.908 490 P CB -0.461 31.041 31.700 -0.331 0.000 1.893 491 H N -0.791 118.316 119.070 0.062 0.000 2.670 491 H HA 0.336 4.895 4.556 0.004 0.000 0.361 491 H C 1.533 176.941 175.328 0.132 0.000 1.169 491 H CA -0.690 55.450 56.048 0.152 0.000 1.198 491 H CB 1.600 31.514 29.762 0.253 0.000 1.700 491 H HN -0.237 nan 8.280 nan 0.000 0.542 492 R N 1.854 122.510 120.500 0.259 0.000 2.288 492 R HA -0.223 4.120 4.340 0.004 0.000 0.239 492 R C -1.208 175.106 176.300 0.024 0.000 1.109 492 R CA 2.831 59.019 56.100 0.147 0.000 0.896 492 R CB -1.771 28.664 30.300 0.224 0.000 0.967 492 R HN 0.562 nan 8.270 nan 0.000 0.420 493 P HA -0.068 nan 4.420 nan 0.000 0.214 493 P C 0.992 178.118 177.300 -0.289 0.000 1.162 493 P CA 1.561 64.466 63.100 -0.326 0.000 0.874 493 P CB -0.247 31.086 31.700 -0.611 0.000 0.784 494 Y N -0.418 119.985 120.300 0.171 0.000 2.293 494 Y HA -0.098 4.455 4.550 0.004 0.000 0.291 494 Y C 2.209 178.274 175.900 0.275 0.000 1.137 494 Y CA 0.591 58.803 58.100 0.188 0.000 1.202 494 Y CB -2.085 36.462 38.460 0.145 0.000 0.990 494 Y HN -0.160 nan 8.280 nan 0.000 0.537 495 V N -2.465 117.668 119.914 0.365 0.000 2.809 495 V HA -0.122 4.000 4.120 0.004 0.000 0.256 495 V C 1.220 177.518 176.094 0.339 0.000 1.080 495 V CA 1.734 64.323 62.300 0.481 0.000 1.102 495 V CB -0.404 31.741 31.823 0.538 0.000 0.705 495 V HN 0.155 nan 8.190 nan 0.000 0.475 496 D N 0.174 120.680 120.400 0.176 0.000 2.371 496 D HA -0.012 4.631 4.640 0.004 0.000 0.221 496 D C 1.710 178.082 176.300 0.120 0.000 0.986 496 D CA 0.696 54.743 54.000 0.079 0.000 0.899 496 D CB -0.000 40.806 40.800 0.010 0.000 0.902 496 D HN 0.464 nan 8.370 nan 0.000 0.530 497 Q N 0.044 119.956 119.800 0.186 0.000 2.188 497 Q HA 0.166 4.509 4.340 0.004 0.000 0.212 497 Q C -0.352 175.777 176.000 0.215 0.000 0.846 497 Q CA -0.113 55.794 55.803 0.174 0.000 0.989 497 Q CB 1.201 30.035 28.738 0.161 0.000 1.114 497 Q HN 0.054 nan 8.270 nan 0.000 0.488 498 V N 1.465 121.560 119.914 0.301 0.000 2.350 498 V HA 0.276 4.399 4.120 0.004 0.000 0.276 498 V C 0.163 176.490 176.094 0.389 0.000 1.028 498 V CA -0.447 62.041 62.300 0.313 0.000 0.860 498 V CB 1.584 33.625 31.823 0.363 0.000 0.990 498 V HN 0.092 nan 8.190 nan 0.000 0.453 499 E N 4.652 124.986 120.200 0.224 0.000 2.183 499 E HA 0.646 4.999 4.350 0.004 0.000 0.271 499 E C -1.172 175.474 176.600 0.076 0.000 0.919 499 E CA -0.609 55.917 56.400 0.209 0.000 0.781 499 E CB 2.189 31.978 29.700 0.148 0.000 1.140 499 E HN 0.540 nan 8.360 nan 0.000 0.402 500 L N 1.381 122.637 121.223 0.056 0.000 2.334 500 L HA 0.631 4.974 4.340 0.004 0.000 0.272 500 L C -0.001 176.878 176.870 0.015 0.000 1.020 500 L CA -1.244 53.561 54.840 -0.058 0.000 0.812 500 L CB 1.536 43.468 42.059 -0.211 0.000 1.264 500 L HN 0.515 nan 8.230 nan 0.000 0.439 501 A N 1.137 123.954 122.820 -0.006 0.000 2.350 501 A HA 0.192 4.514 4.320 0.004 0.000 0.293 501 A C 0.120 177.717 177.584 0.022 0.000 1.231 501 A CA -0.325 51.721 52.037 0.015 0.000 0.883 501 A CB 0.041 19.044 19.000 0.005 0.000 1.133 501 A HN 0.847 nan 8.150 nan 0.000 0.533 502 c N 4.180 122.805 118.600 0.043 0.000 2.662 502 c HA 0.330 4.902 4.570 0.004 0.000 0.402 502 c C 1.799 175.909 174.090 0.034 0.000 1.397 502 c CA 0.076 56.434 56.329 0.048 0.000 1.575 502 c CB -1.590 40.955 42.510 0.058 0.000 2.406 502 c HN 1.050 nan 8.230 nan 0.000 0.609 503 A N 4.999 127.836 122.820 0.028 0.000 2.042 503 A HA -0.234 4.089 4.320 0.004 0.000 0.222 503 A C 2.215 179.813 177.584 0.024 0.000 1.167 503 A CA 2.309 54.358 52.037 0.021 0.000 0.649 503 A CB -1.266 17.746 19.000 0.020 0.000 0.809 503 A HN 1.432 nan 8.150 nan 0.000 0.457 504 c N -2.884 115.734 118.600 0.030 0.000 2.399 504 c HA 0.317 4.890 4.570 0.004 0.000 0.296 504 c C 2.153 176.259 174.090 0.027 0.000 1.415 504 c CA 0.261 56.608 56.329 0.030 0.000 1.798 504 c CB -1.487 41.045 42.510 0.037 0.000 1.802 504 c HN 1.600 nan 8.230 nan 0.000 0.549 505 G N -0.493 108.323 108.800 0.026 0.000 2.481 505 G HA2 0.151 4.114 3.960 0.004 0.000 0.200 505 G HA3 0.151 4.114 3.960 0.004 0.000 0.200 505 G C 0.436 175.352 174.900 0.028 0.000 1.012 505 G CA 0.004 45.118 45.100 0.024 0.000 0.676 505 G HN 1.065 nan 8.290 nan 0.000 0.488 506 G N -0.520 108.300 108.800 0.034 0.000 2.606 506 G HA2 0.563 4.525 3.960 0.004 0.000 0.262 506 G HA3 0.563 4.525 3.960 0.004 0.000 0.262 506 G C -0.256 174.672 174.900 0.047 0.000 1.394 506 G CA 0.667 45.790 45.100 0.039 0.000 1.044 506 G HN 0.475 nan 8.290 nan 0.000 0.553 507 T N 0.440 115.028 114.554 0.056 0.000 2.934 507 T HA 0.593 4.945 4.350 0.004 0.000 0.283 507 T C -0.079 174.679 174.700 0.096 0.000 1.005 507 T CA -0.127 62.016 62.100 0.071 0.000 1.041 507 T CB 0.734 69.644 68.868 0.069 0.000 1.042 507 T HN 0.216 nan 8.240 nan 0.000 0.505 508 M N 2.850 122.533 119.600 0.138 0.000 2.393 508 M HA 0.498 4.980 4.480 0.004 0.000 0.316 508 M C -0.434 176.049 176.300 0.304 0.000 1.087 508 M CA -0.734 54.691 55.300 0.209 0.000 0.937 508 M CB 2.165 34.913 32.600 0.247 0.000 1.668 508 M HN 0.279 nan 8.290 nan 0.000 0.438 509 R N 2.226 122.835 120.500 0.181 0.000 2.513 509 R HA 0.436 4.778 4.340 0.004 0.000 0.301 509 R C -0.658 175.423 176.300 -0.366 0.000 0.968 509 R CA -0.870 55.249 56.100 0.031 0.000 0.872 509 R CB 2.391 32.693 30.300 0.004 0.000 1.177 509 R HN 0.788 nan 8.270 nan 0.000 0.444 510 R N 0.724 120.569 120.500 -1.091 0.000 2.756 510 R HA 0.109 4.451 4.340 0.004 0.000 0.264 510 R C 0.715 176.606 176.300 -0.683 0.000 1.026 510 R CA -0.492 54.665 56.100 -1.571 0.000 1.121 510 R CB 0.102 28.983 30.300 -2.364 0.000 0.999 510 R HN 0.365 nan 8.270 nan 0.000 0.449 511 V N -0.726 118.873 119.914 -0.525 0.000 3.503 511 V HA 0.141 4.264 4.120 0.004 0.000 0.300 511 V C -1.588 174.331 176.094 -0.292 0.000 1.099 511 V CA -1.084 61.086 62.300 -0.217 0.000 1.117 511 V CB 0.499 32.359 31.823 0.061 0.000 1.122 511 V HN 0.920 nan 8.190 nan 0.000 0.476 512 P HA 0.023 nan 4.420 nan 0.000 0.213 512 P C 0.396 177.466 177.300 -0.382 0.000 1.176 512 P CA 0.600 63.441 63.100 -0.431 0.000 0.894 512 P CB -0.256 31.110 31.700 -0.558 0.000 0.771 513 Y N -0.655 119.561 120.300 -0.141 0.000 3.316 513 Y HA -0.036 4.517 4.550 0.004 0.000 0.357 513 Y C 1.216 177.011 175.900 -0.175 0.000 1.240 513 Y CA 0.311 58.321 58.100 -0.149 0.000 1.490 513 Y CB -0.968 37.420 38.460 -0.120 0.000 1.190 513 Y HN -0.150 nan 8.280 nan 0.000 0.643 514 V N 2.934 122.863 119.914 0.025 0.000 3.040 514 V HA 0.421 4.544 4.120 0.004 0.000 0.312 514 V C -0.308 175.768 176.094 -0.030 0.000 1.115 514 V CA -1.169 61.105 62.300 -0.044 0.000 0.998 514 V CB 2.164 33.943 31.823 -0.074 0.000 1.042 514 V HN 0.533 nan 8.190 nan 0.000 0.433 515 I N 2.426 122.963 120.570 -0.054 0.000 2.823 515 I HA 0.213 4.385 4.170 0.004 0.000 0.290 515 I C 0.407 176.579 176.117 0.090 0.000 1.091 515 I CA 0.152 61.431 61.300 -0.034 0.000 1.365 515 I CB 0.438 38.388 38.000 -0.083 0.000 1.427 515 I HN 0.651 nan 8.210 nan 0.000 0.583 516 D N 2.763 123.282 120.400 0.197 0.000 2.455 516 D HA 0.011 4.654 4.640 0.004 0.000 0.241 516 D C 1.156 177.696 176.300 0.400 0.000 1.138 516 D CA -0.074 54.163 54.000 0.395 0.000 0.877 516 D CB 1.118 42.349 40.800 0.718 0.000 1.187 516 D HN 0.314 nan 8.370 nan 0.000 0.451 517 V N 2.156 122.227 119.914 0.262 0.000 2.392 517 V HA -0.208 3.914 4.120 0.004 0.000 0.249 517 V C 1.945 178.102 176.094 0.105 0.000 1.059 517 V CA 1.246 63.599 62.300 0.087 0.000 1.051 517 V CB -1.366 30.359 31.823 -0.163 0.000 0.658 517 V HN 0.663 nan 8.190 nan 0.000 0.455 518 W N -0.886 120.679 121.300 0.442 0.000 2.468 518 W HA -0.027 4.636 4.660 0.006 0.000 0.262 518 W C 2.421 179.265 176.519 0.542 0.000 1.241 518 W CA 1.059 58.636 57.345 0.385 0.000 1.232 518 W CB -0.597 28.986 29.460 0.205 0.000 1.124 518 W HN 0.308 nan 8.180 nan 0.000 0.597 519 Y N 1.488 122.219 120.300 0.718 0.000 2.206 519 Y HA -0.203 4.350 4.550 0.004 0.000 0.292 519 Y C 2.090 178.247 175.900 0.429 0.000 1.123 519 Y CA 1.915 60.392 58.100 0.627 0.000 1.142 519 Y CB -0.486 38.219 38.460 0.408 0.000 1.006 519 Y HN -0.226 nan 8.280 nan 0.000 0.518 520 D N -0.348 120.387 120.400 0.558 0.000 2.106 520 D HA -0.204 4.438 4.640 0.004 0.000 0.191 520 D C 2.304 178.835 176.300 0.384 0.000 0.997 520 D CA 2.027 56.307 54.000 0.467 0.000 0.834 520 D CB -0.501 40.521 40.800 0.369 0.000 0.956 520 D HN 0.352 nan 8.370 nan 0.000 0.448 521 S N 0.100 116.002 115.700 0.336 0.000 2.370 521 S HA -0.106 4.366 4.470 0.004 0.000 0.226 521 S C 2.164 177.070 174.600 0.510 0.000 1.033 521 S CA 1.271 59.711 58.200 0.399 0.000 1.011 521 S CB -0.729 62.712 63.200 0.400 0.000 0.852 521 S HN 0.423 nan 8.310 nan 0.000 0.457 522 G N 0.974 110.000 108.800 0.377 0.000 2.448 522 G HA2 0.115 4.077 3.960 0.004 0.000 0.218 522 G HA3 0.115 4.077 3.960 0.004 0.000 0.218 522 G C 1.368 176.291 174.900 0.039 0.000 1.135 522 G CA 0.621 45.847 45.100 0.209 0.000 0.784 522 G HN 0.600 nan 8.290 nan 0.000 0.543 523 A N 0.617 123.366 122.820 -0.118 0.000 2.167 523 A HA 0.219 4.541 4.320 0.004 0.000 0.214 523 A C 2.117 179.154 177.584 -0.912 0.000 1.151 523 A CA 1.215 52.924 52.037 -0.547 0.000 0.735 523 A CB -0.333 18.412 19.000 -0.426 0.000 0.802 523 A HN 0.321 nan 8.150 nan 0.000 0.467 524 M N 0.659 120.065 119.600 -0.322 0.000 2.270 524 M HA -0.206 4.276 4.480 0.004 0.000 0.254 524 M C -0.905 175.100 176.300 -0.492 0.000 1.072 524 M CA 2.725 57.847 55.300 -0.297 0.000 1.077 524 M CB -1.867 30.750 32.600 0.028 0.000 1.288 524 M HN 0.134 nan 8.290 nan 0.000 0.424 525 P HA -0.204 nan 4.420 nan 0.000 0.218 525 P C 1.070 178.445 177.300 0.124 0.000 1.152 525 P CA 2.262 65.285 63.100 -0.129 0.000 0.857 525 P CB -0.352 31.520 31.700 0.285 0.000 0.787 526 F N -4.306 115.629 119.950 -0.025 0.000 2.740 526 F HA 0.595 5.125 4.527 0.004 0.000 0.304 526 F C 1.963 177.696 175.800 -0.111 0.000 1.098 526 F CA 0.120 57.996 58.000 -0.206 0.000 1.258 526 F CB -1.140 37.410 39.000 -0.751 0.000 1.061 526 F HN -0.238 nan 8.300 nan 0.000 0.598 527 A N 1.571 123.781 122.820 -1.018 0.000 1.877 527 A HA -0.136 4.186 4.320 0.004 0.000 0.216 527 A C 2.393 179.592 177.584 -0.642 0.000 1.186 527 A CA 2.378 53.809 52.037 -1.009 0.000 0.620 527 A CB -1.341 16.598 19.000 -1.768 0.000 0.822 527 A HN 0.490 nan 8.150 nan 0.000 0.443 528 S N -0.267 115.170 115.700 -0.438 0.000 2.383 528 S HA -0.003 4.469 4.470 0.004 0.000 0.229 528 S C 0.891 175.510 174.600 0.032 0.000 1.030 528 S CA 0.709 58.803 58.200 -0.176 0.000 1.002 528 S CB -0.769 62.051 63.200 -0.634 0.000 0.829 528 S HN 0.375 nan 8.310 nan 0.000 0.467 529 L N 0.855 122.111 121.223 0.055 0.000 2.468 529 L HA 0.278 4.620 4.340 0.004 0.000 0.254 529 L C 1.308 178.390 176.870 0.353 0.000 1.171 529 L CA -0.408 54.566 54.840 0.224 0.000 0.809 529 L CB 0.204 42.444 42.059 0.303 0.000 1.155 529 L HN 0.298 nan 8.230 nan 0.000 0.473 530 H N 0.450 119.732 119.070 0.354 0.000 2.727 530 H HA -0.037 4.521 4.556 0.004 0.000 0.312 530 H C 0.770 176.215 175.328 0.196 0.000 1.204 530 H CA -0.394 55.788 56.048 0.225 0.000 1.122 530 H CB 0.135 30.002 29.762 0.176 0.000 1.453 530 H HN 0.638 nan 8.280 nan 0.000 0.514 531 Y N 1.865 122.235 120.300 0.115 0.000 1.657 531 Y HA -0.431 4.121 4.550 0.004 0.000 0.129 531 Y C -1.157 174.518 175.900 -0.375 0.000 0.911 531 Y CA 3.021 61.032 58.100 -0.148 0.000 0.638 531 Y CB -1.834 36.427 38.460 -0.331 0.000 0.592 531 Y HN 0.399 nan 8.280 nan 0.000 0.685 532 P HA -0.159 nan 4.420 nan 0.000 0.215 532 P C 1.704 178.311 177.300 -1.156 0.000 1.157 532 P CA 2.577 64.589 63.100 -1.815 0.000 0.868 532 P CB -0.420 30.021 31.700 -2.099 0.000 0.788 533 F N -0.767 118.747 119.950 -0.727 0.000 2.293 533 F HA -0.026 4.504 4.527 0.004 0.000 0.300 533 F C 1.945 177.516 175.800 -0.382 0.000 1.086 533 F CA 1.072 58.752 58.000 -0.534 0.000 1.375 533 F CB -0.479 38.078 39.000 -0.738 0.000 1.045 533 F HN 0.004 nan 8.300 nan 0.000 0.516 534 E N -1.554 118.521 120.200 -0.208 0.000 4.072 534 E HA 0.130 4.483 4.350 0.004 0.000 0.247 534 E C -0.121 176.336 176.600 -0.238 0.000 1.033 534 E CA -0.504 55.761 56.400 -0.226 0.000 1.019 534 E CB -0.147 29.396 29.700 -0.262 0.000 2.662 534 E HN 0.120 nan 8.360 nan 0.000 0.514 535 H N 2.177 121.293 119.070 0.077 0.000 4.802 535 H HA -0.024 4.535 4.556 0.004 0.000 0.176 535 H C 0.809 176.254 175.328 0.195 0.000 1.170 535 H CA 0.132 56.262 56.048 0.136 0.000 1.431 535 H CB -0.286 29.593 29.762 0.194 0.000 1.667 535 H HN 0.252 nan 8.280 nan 0.000 0.880 536 E N 1.968 122.248 120.200 0.132 0.000 2.017 536 E HA -0.209 4.144 4.350 0.004 0.000 0.193 536 E C 2.123 178.899 176.600 0.294 0.000 0.997 536 E CA 1.374 57.887 56.400 0.189 0.000 0.804 536 E CB 0.251 29.958 29.700 0.011 0.000 0.757 536 E HN 0.804 nan 8.360 nan 0.000 0.448 537 E N 0.932 121.248 120.200 0.194 0.000 2.058 537 E HA -0.142 4.210 4.350 0.004 0.000 0.194 537 E C 2.276 178.991 176.600 0.191 0.000 0.997 537 E CA 1.282 57.782 56.400 0.168 0.000 0.801 537 E CB -0.984 28.788 29.700 0.121 0.000 0.746 537 E HN 0.134 nan 8.360 nan 0.000 0.450 538 V N 1.060 121.119 119.914 0.241 0.000 2.255 538 V HA -0.236 3.886 4.120 0.004 0.000 0.247 538 V C 2.428 178.646 176.094 0.207 0.000 1.051 538 V CA 2.093 64.523 62.300 0.217 0.000 1.018 538 V CB -0.922 31.041 31.823 0.234 0.000 0.641 538 V HN 0.192 nan 8.190 nan 0.000 0.445 539 F N 1.263 121.321 119.950 0.179 0.000 2.095 539 F HA -0.204 4.326 4.527 0.004 0.000 0.298 539 F C 2.616 178.458 175.800 0.071 0.000 1.104 539 F CA 1.863 59.934 58.000 0.119 0.000 1.232 539 F CB -0.333 38.736 39.000 0.116 0.000 0.987 539 F HN -0.046 nan 8.300 nan 0.000 0.475 540 R N 0.238 120.780 120.500 0.071 0.000 2.081 540 R HA -0.161 4.182 4.340 0.004 0.000 0.235 540 R C 2.169 178.416 176.300 -0.088 0.000 1.131 540 R CA 1.832 57.910 56.100 -0.036 0.000 0.960 540 R CB -0.550 29.810 30.300 0.101 0.000 0.856 540 R HN 0.453 nan 8.270 nan 0.000 0.436 541 E N 0.063 120.251 120.200 -0.021 0.000 2.150 541 E HA -0.104 4.249 4.350 0.004 0.000 0.193 541 E C 1.398 177.954 176.600 -0.073 0.000 0.985 541 E CA 1.516 57.907 56.400 -0.016 0.000 0.814 541 E CB 0.149 29.877 29.700 0.048 0.000 0.752 541 E HN 0.335 nan 8.360 nan 0.000 0.466 542 S N -0.391 115.242 115.700 -0.112 0.000 2.578 542 S HA 0.070 4.542 4.470 0.004 0.000 0.231 542 S C 1.056 175.520 174.600 -0.227 0.000 0.994 542 S CA -0.616 57.499 58.200 -0.140 0.000 0.956 542 S CB -0.043 63.138 63.200 -0.032 0.000 0.870 542 S HN 0.118 nan 8.310 nan 0.000 0.494 543 F N 4.336 123.941 119.950 -0.575 0.000 1.980 543 F HA 0.189 4.719 4.527 0.004 0.000 0.298 543 F C -2.155 173.469 175.800 -0.295 0.000 1.255 543 F CA 0.103 57.684 58.000 -0.698 0.000 1.179 543 F CB -1.628 36.593 39.000 -1.298 0.000 0.957 543 F HN 0.030 nan 8.300 nan 0.000 0.507 544 P HA 0.127 nan 4.420 nan 0.000 0.257 544 P C -1.103 175.799 177.300 -0.663 0.000 1.189 544 P CA 0.350 62.828 63.100 -1.038 0.000 0.780 544 P CB 0.051 31.338 31.700 -0.688 0.000 0.772 545 A N 3.752 126.175 122.820 -0.662 0.000 2.425 545 A HA 0.047 4.370 4.320 0.004 0.000 0.242 545 A C 0.995 178.238 177.584 -0.569 0.000 1.077 545 A CA 0.108 51.644 52.037 -0.835 0.000 0.781 545 A CB -0.014 18.247 19.000 -1.232 0.000 1.020 545 A HN 0.501 nan 8.150 nan 0.000 0.494 546 D N -0.799 119.243 120.400 -0.596 0.000 2.249 546 D HA 0.228 4.870 4.640 0.004 0.000 0.205 546 D C -0.168 175.954 176.300 -0.297 0.000 0.962 546 D CA 1.374 55.091 54.000 -0.472 0.000 0.860 546 D CB 0.148 40.531 40.800 -0.695 0.000 0.955 546 D HN 0.430 nan 8.370 nan 0.000 0.505 547 F N 0.211 119.843 119.950 -0.530 0.000 2.668 547 F HA 0.477 5.007 4.527 0.004 0.000 0.309 547 F C -1.978 173.629 175.800 -0.323 0.000 1.117 547 F CA -1.283 56.465 58.000 -0.419 0.000 0.951 547 F CB 1.333 40.206 39.000 -0.212 0.000 1.323 547 F HN -0.182 nan 8.300 nan 0.000 0.451 548 I N 1.482 121.309 120.570 -1.239 0.000 2.828 548 I HA 0.883 5.055 4.170 0.004 0.000 0.295 548 I C -1.976 173.474 176.117 -1.111 0.000 1.459 548 I CA -0.991 59.800 61.300 -0.848 0.000 1.015 548 I CB 1.840 39.538 38.000 -0.503 0.000 1.345 548 I HN 0.877 nan 8.210 nan 0.000 0.449 549 A N 3.609 126.145 122.820 -0.472 0.000 2.408 549 A HA 0.920 5.243 4.320 0.004 0.000 0.295 549 A C -0.932 176.744 177.584 0.153 0.000 1.040 549 A CA -0.316 51.605 52.037 -0.193 0.000 0.707 549 A CB 1.700 20.691 19.000 -0.016 0.000 1.235 549 A HN 0.750 nan 8.150 nan 0.000 0.418 550 E N 0.477 120.835 120.200 0.263 0.000 2.456 550 E HA 0.523 4.875 4.350 0.004 0.000 0.278 550 E C 0.118 176.669 176.600 -0.081 0.000 1.034 550 E CA -0.425 56.082 56.400 0.177 0.000 0.846 550 E CB 1.114 30.840 29.700 0.044 0.000 1.460 550 E HN 0.903 nan 8.360 nan 0.000 0.463 551 G N 0.497 109.091 108.800 -0.343 0.000 2.527 551 G HA2 0.209 4.171 3.960 0.004 0.000 0.248 551 G HA3 0.209 4.171 3.960 0.004 0.000 0.248 551 G C 0.821 175.536 174.900 -0.308 0.000 1.231 551 G CA -0.278 44.477 45.100 -0.575 0.000 0.838 551 G HN 0.338 nan 8.290 nan 0.000 0.570 552 I N 0.950 121.393 120.570 -0.211 0.000 2.264 552 I HA -0.177 3.995 4.170 0.004 0.000 0.248 552 I C 2.357 178.406 176.117 -0.114 0.000 1.111 552 I CA 1.737 62.995 61.300 -0.069 0.000 1.382 552 I CB -0.486 37.489 38.000 -0.041 0.000 1.060 552 I HN 0.733 nan 8.210 nan 0.000 0.418 553 D N -1.069 119.243 120.400 -0.146 0.000 2.403 553 D HA -0.200 4.442 4.640 0.004 0.000 0.227 553 D C 1.488 177.629 176.300 -0.264 0.000 0.995 553 D CA 0.528 54.433 54.000 -0.158 0.000 0.928 553 D CB -0.385 40.359 40.800 -0.093 0.000 0.887 553 D HN 0.388 nan 8.370 nan 0.000 0.529 554 Q N -0.065 119.512 119.800 -0.373 0.000 2.403 554 Q HA -0.003 4.339 4.340 0.004 0.000 0.203 554 Q C 1.609 177.296 176.000 -0.522 0.000 0.932 554 Q CA 0.946 56.377 55.803 -0.621 0.000 0.945 554 Q CB 0.161 28.202 28.738 -1.160 0.000 1.045 554 Q HN 0.636 nan 8.270 nan 0.000 0.511 555 T N -1.603 112.811 114.554 -0.232 0.000 3.007 555 T HA -0.006 4.346 4.350 0.004 0.000 0.270 555 T C 1.463 175.947 174.700 -0.359 0.000 1.107 555 T CA 0.545 62.571 62.100 -0.123 0.000 1.118 555 T CB 0.120 68.937 68.868 -0.085 0.000 0.889 555 T HN 0.037 nan 8.240 nan 0.000 0.506 556 R N 0.619 120.786 120.500 -0.556 0.000 2.397 556 R HA 0.452 4.794 4.340 0.004 0.000 0.241 556 R C 1.352 177.031 176.300 -1.035 0.000 0.914 556 R CA 0.320 55.897 56.100 -0.871 0.000 1.071 556 R CB 0.511 30.377 30.300 -0.722 0.000 1.116 556 R HN 0.547 nan 8.270 nan 0.000 0.524 557 G N -0.873 107.404 108.800 -0.872 0.000 3.364 557 G HA2 -0.024 3.938 3.960 0.004 0.000 0.191 557 G HA3 -0.024 3.938 3.960 0.004 0.000 0.191 557 G C 0.286 174.986 174.900 -0.333 0.000 1.352 557 G CA -0.259 44.167 45.100 -1.122 0.000 0.758 557 G HN 0.221 nan 8.290 nan 0.000 0.730 558 W N 0.825 122.090 121.300 -0.058 0.000 2.321 558 W HA -0.093 4.569 4.660 0.004 0.000 0.306 558 W C 2.223 178.792 176.519 0.083 0.000 1.217 558 W CA 1.629 59.038 57.345 0.105 0.000 1.257 558 W CB -0.468 29.020 29.460 0.046 0.000 1.145 558 W HN 0.158 nan 8.180 nan 0.000 0.509 559 F N 0.644 120.522 119.950 -0.120 0.000 2.046 559 F HA -0.291 4.238 4.527 0.003 0.000 0.297 559 F C 2.636 178.382 175.800 -0.091 0.000 1.123 559 F CA 1.766 59.597 58.000 -0.282 0.000 1.199 559 F CB -1.879 36.952 39.000 -0.281 0.000 0.972 559 F HN 0.046 nan 8.300 nan 0.000 0.474 560 N N 0.434 119.154 118.700 0.034 0.000 2.094 560 N HA -0.201 4.542 4.740 0.004 0.000 0.191 560 N C 1.811 177.373 175.510 0.086 0.000 1.023 560 N CA 2.125 55.225 53.050 0.083 0.000 0.857 560 N CB -0.097 38.285 38.487 -0.175 0.000 1.013 560 N HN 0.365 nan 8.380 nan 0.000 0.426 561 S N 0.278 115.954 115.700 -0.040 0.000 2.461 561 S HA 0.027 4.499 4.470 0.004 0.000 0.228 561 S C 2.234 176.950 174.600 0.193 0.000 1.005 561 S CA 0.180 58.419 58.200 0.065 0.000 0.942 561 S CB -0.288 63.008 63.200 0.160 0.000 0.776 561 S HN 0.250 nan 8.310 nan 0.000 0.514 562 L N 0.683 121.983 121.223 0.128 0.000 2.005 562 L HA -0.070 4.272 4.340 0.004 0.000 0.207 562 L C 2.932 179.979 176.870 0.294 0.000 1.072 562 L CA 1.789 56.710 54.840 0.134 0.000 0.744 562 L CB -0.647 41.379 42.059 -0.055 0.000 0.895 562 L HN 0.329 nan 8.230 nan 0.000 0.433 563 H N 0.407 119.589 119.070 0.186 0.000 2.265 563 H HA -0.227 4.332 4.556 0.004 0.000 0.295 563 H C 2.292 177.723 175.328 0.172 0.000 1.084 563 H CA 2.079 58.206 56.048 0.130 0.000 1.261 563 H CB -0.224 29.662 29.762 0.207 0.000 1.360 563 H HN 0.270 nan 8.280 nan 0.000 0.487 564 Q N -0.900 119.043 119.800 0.239 0.000 2.077 564 Q HA -0.157 4.185 4.340 0.004 0.000 0.206 564 Q C 2.402 178.490 176.000 0.147 0.000 0.989 564 Q CA 1.631 57.528 55.803 0.157 0.000 0.853 564 Q CB -0.107 28.822 28.738 0.317 0.000 0.907 564 Q HN 0.300 nan 8.270 nan 0.000 0.418 565 L N -0.321 121.039 121.223 0.229 0.000 2.141 565 L HA -0.068 4.274 4.340 0.004 0.000 0.209 565 L C 2.274 179.233 176.870 0.149 0.000 1.094 565 L CA 1.806 56.747 54.840 0.167 0.000 0.763 565 L CB -1.138 41.044 42.059 0.204 0.000 0.908 565 L HN 0.239 nan 8.230 nan 0.000 0.437 566 G N -1.053 107.914 108.800 0.278 0.000 2.421 566 G HA2 -0.187 3.775 3.960 0.004 0.000 0.216 566 G HA3 -0.187 3.775 3.960 0.004 0.000 0.216 566 G C 1.617 176.667 174.900 0.250 0.000 1.171 566 G CA 1.112 46.465 45.100 0.423 0.000 0.775 566 G HN 0.257 nan 8.290 nan 0.000 0.543 567 V N 0.998 120.957 119.914 0.076 0.000 2.379 567 V HA -0.109 4.014 4.120 0.004 0.000 0.245 567 V C 2.889 178.820 176.094 -0.271 0.000 1.044 567 V CA 1.898 64.160 62.300 -0.062 0.000 1.036 567 V CB -0.362 31.371 31.823 -0.150 0.000 0.664 567 V HN 0.352 nan 8.190 nan 0.000 0.453 568 M N -0.927 118.427 119.600 -0.409 0.000 2.254 568 M HA -0.055 4.428 4.480 0.004 0.000 0.265 568 M C 1.962 177.976 176.300 -0.477 0.000 1.066 568 M CA 1.750 56.644 55.300 -0.677 0.000 1.123 568 M CB -0.209 32.049 32.600 -0.571 0.000 1.388 568 M HN 0.267 nan 8.290 nan 0.000 0.425 569 L N -2.158 118.780 121.223 -0.475 0.000 2.408 569 L HA 0.090 4.432 4.340 0.004 0.000 0.215 569 L C 0.826 177.113 176.870 -0.971 0.000 1.081 569 L CA 0.403 54.757 54.840 -0.809 0.000 0.840 569 L CB 0.288 41.622 42.059 -1.208 0.000 1.002 569 L HN 0.177 nan 8.230 nan 0.000 0.468 570 F N -1.250 118.649 119.950 -0.086 0.000 2.856 570 F HA 0.388 4.918 4.527 0.004 0.000 0.338 570 F C 1.413 177.240 175.800 0.044 0.000 1.100 570 F CA -0.225 57.766 58.000 -0.016 0.000 1.150 570 F CB 0.041 39.015 39.000 -0.044 0.000 1.101 570 F HN -0.082 nan 8.300 nan 0.000 0.548 571 G N 2.027 110.903 108.800 0.126 0.000 2.350 571 G HA2 -0.086 3.877 3.960 0.004 0.000 0.298 571 G HA3 -0.086 3.877 3.960 0.004 0.000 0.298 571 G C -0.026 174.981 174.900 0.178 0.000 1.037 571 G CA 0.721 45.887 45.100 0.111 0.000 1.074 571 G HN 0.606 nan 8.290 nan 0.000 0.511 572 S N -0.949 114.899 115.700 0.246 0.000 2.547 572 S HA 0.671 5.144 4.470 0.004 0.000 0.270 572 S C 0.149 174.897 174.600 0.246 0.000 1.150 572 S CA -1.081 57.272 58.200 0.255 0.000 0.850 572 S CB 1.050 64.472 63.200 0.371 0.000 1.118 572 S HN 0.627 nan 8.310 nan 0.000 0.461 573 I N 2.926 123.541 120.570 0.075 0.000 2.872 573 I HA 0.141 4.314 4.170 0.004 0.000 0.291 573 I C 1.565 177.585 176.117 -0.163 0.000 1.216 573 I CA 0.526 61.772 61.300 -0.091 0.000 1.424 573 I CB 0.682 38.535 38.000 -0.245 0.000 1.351 573 I HN 0.910 nan 8.210 nan 0.000 0.592 574 A N 6.609 129.301 122.820 -0.212 0.000 2.197 574 A HA 0.205 4.527 4.320 0.004 0.000 0.210 574 A C 0.275 177.733 177.584 -0.210 0.000 1.180 574 A CA 0.260 52.239 52.037 -0.097 0.000 0.846 574 A CB 0.007 19.192 19.000 0.310 0.000 0.884 574 A HN 0.603 nan 8.150 nan 0.000 0.487 575 F N -2.702 117.012 119.950 -0.392 0.000 2.607 575 F HA 0.567 5.096 4.527 0.004 0.000 0.322 575 F C 0.190 175.675 175.800 -0.525 0.000 1.176 575 F CA -1.198 56.504 58.000 -0.496 0.000 0.977 575 F CB 0.972 39.638 39.000 -0.557 0.000 1.242 575 F HN -0.158 nan 8.300 nan 0.000 0.465 576 K N 1.434 121.637 120.400 -0.329 0.000 2.217 576 K HA 0.099 4.422 4.320 0.004 0.000 0.202 576 K C -0.142 176.264 176.600 -0.324 0.000 1.051 576 K CA 0.882 56.975 56.287 -0.322 0.000 0.952 576 K CB -0.023 32.317 32.500 -0.267 0.000 0.736 576 K HN 0.589 nan 8.250 nan 0.000 0.453 577 N N 0.192 118.669 118.700 -0.372 0.000 2.264 577 N HA 0.285 5.028 4.740 0.004 0.000 0.288 577 N C -1.546 173.539 175.510 -0.709 0.000 1.094 577 N CA -0.433 52.297 53.050 -0.533 0.000 0.817 577 N CB 2.953 41.003 38.487 -0.728 0.000 1.604 577 N HN -0.268 nan 8.380 nan 0.000 0.473 578 V N 1.165 120.562 119.914 -0.862 0.000 2.888 578 V HA 0.597 4.719 4.120 0.004 0.000 0.309 578 V C -0.324 175.341 176.094 -0.715 0.000 1.114 578 V CA -0.765 60.928 62.300 -1.011 0.000 0.940 578 V CB 2.464 33.459 31.823 -1.381 0.000 1.021 578 V HN 0.532 nan 8.190 nan 0.000 0.426 579 I N 2.237 122.452 120.570 -0.591 0.000 2.433 579 I HA 0.511 4.683 4.170 0.004 0.000 0.292 579 I C -0.777 175.242 176.117 -0.164 0.000 1.001 579 I CA -0.267 60.848 61.300 -0.309 0.000 1.119 579 I CB 1.879 39.738 38.000 -0.236 0.000 1.289 579 I HN 0.582 nan 8.210 nan 0.000 0.438 580 C N 5.686 124.952 119.300 -0.057 0.000 2.281 580 C HA 0.421 4.884 4.460 0.004 0.000 0.323 580 C C 0.139 175.151 174.990 0.037 0.000 1.270 580 C CA -0.608 58.441 59.018 0.052 0.000 1.559 580 C CB -0.283 27.526 27.740 0.116 0.000 2.239 580 C HN 0.696 nan 8.230 nan 0.000 0.488 581 H N 1.221 120.317 119.070 0.043 0.000 2.479 581 H HA 0.609 5.168 4.556 0.004 0.000 0.335 581 H C 0.462 175.838 175.328 0.080 0.000 1.142 581 H CA -0.243 55.842 56.048 0.061 0.000 1.234 581 H CB 1.204 31.062 29.762 0.159 0.000 1.503 581 H HN 0.635 nan 8.280 nan 0.000 0.510 582 G N 1.881 110.808 108.800 0.212 0.000 2.441 582 G HA2 0.169 4.132 3.960 0.004 0.000 0.258 582 G HA3 0.169 4.132 3.960 0.004 0.000 0.258 582 G C -0.177 174.831 174.900 0.180 0.000 1.487 582 G CA -0.581 44.604 45.100 0.142 0.000 1.058 582 G HN 0.444 nan 8.290 nan 0.000 0.552 583 L N -0.342 120.961 121.223 0.134 0.000 2.322 583 L HA 0.429 4.772 4.340 0.004 0.000 0.269 583 L C -0.157 176.786 176.870 0.121 0.000 1.012 583 L CA -0.776 54.140 54.840 0.127 0.000 0.815 583 L CB 1.690 43.803 42.059 0.090 0.000 1.295 583 L HN 0.234 nan 8.230 nan 0.000 0.438 584 I N 3.841 124.480 120.570 0.115 0.000 2.276 584 I HA 0.215 4.388 4.170 0.004 0.000 0.290 584 I C 0.629 176.831 176.117 0.141 0.000 1.109 584 I CA -0.197 61.173 61.300 0.117 0.000 1.229 584 I CB 0.080 38.119 38.000 0.065 0.000 1.452 584 I HN 0.368 nan 8.210 nan 0.000 0.497 585 L N 3.412 124.719 121.223 0.141 0.000 2.468 585 L HA 0.102 4.444 4.340 0.004 0.000 0.253 585 L C 1.038 177.986 176.870 0.130 0.000 1.237 585 L CA -0.193 54.716 54.840 0.116 0.000 0.823 585 L CB 0.204 42.323 42.059 0.101 0.000 1.124 585 L HN 0.402 nan 8.230 nan 0.000 0.504 586 D N -0.312 120.140 120.400 0.086 0.000 2.372 586 D HA -0.084 4.558 4.640 0.004 0.000 0.243 586 D C 1.046 177.373 176.300 0.046 0.000 1.297 586 D CA -0.069 53.967 54.000 0.061 0.000 0.958 586 D CB 0.577 41.399 40.800 0.036 0.000 1.114 586 D HN 0.421 nan 8.370 nan 0.000 0.496 587 E N -0.231 119.968 120.200 -0.001 0.000 2.273 587 E HA -0.145 4.207 4.350 0.004 0.000 0.198 587 E C -0.224 176.369 176.600 -0.012 0.000 1.002 587 E CA 1.252 57.625 56.400 -0.046 0.000 0.828 587 E CB 0.213 29.872 29.700 -0.068 0.000 0.747 587 E HN 0.147 nan 8.360 nan 0.000 0.491 588 K N -1.215 119.192 120.400 0.012 0.000 2.739 588 K HA 0.229 4.551 4.320 0.004 0.000 0.288 588 K C 0.281 176.900 176.600 0.031 0.000 1.142 588 K CA 0.355 56.656 56.287 0.023 0.000 1.060 588 K CB 0.903 33.411 32.500 0.013 0.000 1.338 588 K HN 0.078 nan 8.250 nan 0.000 0.514 589 G N 2.653 111.480 108.800 0.045 0.000 4.236 589 G HA2 -0.392 3.570 3.960 0.004 0.000 0.222 589 G HA3 -0.392 3.570 3.960 0.004 0.000 0.222 589 G C 0.017 174.943 174.900 0.043 0.000 1.354 589 G CA 0.246 45.373 45.100 0.044 0.000 0.966 589 G HN 0.562 nan 8.290 nan 0.000 0.624 590 Q N 1.973 121.793 119.800 0.034 0.000 2.436 590 Q HA 0.130 4.473 4.340 0.004 0.000 0.326 590 Q C 0.101 176.123 176.000 0.037 0.000 1.079 590 Q CA 0.290 56.111 55.803 0.031 0.000 1.049 590 Q CB 0.289 29.041 28.738 0.023 0.000 1.047 590 Q HN 0.333 nan 8.270 nan 0.000 0.386 591 K N 3.552 123.972 120.400 0.034 0.000 2.161 591 K HA -0.095 4.228 4.320 0.004 0.000 0.260 591 K C 0.291 176.909 176.600 0.029 0.000 1.158 591 K CA 0.415 56.724 56.287 0.035 0.000 1.172 591 K CB -0.251 32.266 32.500 0.028 0.000 0.917 591 K HN 0.680 nan 8.250 nan 0.000 0.410 592 M N 2.403 122.028 119.600 0.041 0.000 2.453 592 M HA -0.188 4.294 4.480 0.004 0.000 0.420 592 M C -0.052 176.252 176.300 0.007 0.000 1.649 592 M CA 1.227 56.548 55.300 0.035 0.000 0.937 592 M CB 0.057 32.696 32.600 0.064 0.000 2.111 592 M HN 0.523 nan 8.290 nan 0.000 0.497 593 S N 3.455 119.154 115.700 -0.001 0.000 2.556 593 S HA 0.401 4.874 4.470 0.004 0.000 0.271 593 S C 0.494 175.083 174.600 -0.019 0.000 1.135 593 S CA -0.840 57.350 58.200 -0.018 0.000 0.858 593 S CB 1.458 64.650 63.200 -0.014 0.000 1.114 593 S HN 0.837 nan 8.310 nan 0.000 0.468 594 K N 1.677 122.059 120.400 -0.031 0.000 2.044 594 K HA -0.120 4.202 4.320 0.004 0.000 0.210 594 K C 1.912 178.502 176.600 -0.017 0.000 1.049 594 K CA 2.255 58.526 56.287 -0.026 0.000 0.927 594 K CB -1.019 31.460 32.500 -0.036 0.000 0.713 594 K HN 0.592 nan 8.250 nan 0.000 0.443 595 S N 1.972 117.662 115.700 -0.017 0.000 2.378 595 S HA -0.174 4.298 4.470 0.004 0.000 0.221 595 S C 2.013 176.608 174.600 -0.008 0.000 1.037 595 S CA 1.008 59.201 58.200 -0.013 0.000 1.069 595 S CB -0.509 62.684 63.200 -0.012 0.000 1.006 595 S HN 0.185 nan 8.310 nan 0.000 0.423 596 K N 1.465 121.862 120.400 -0.005 0.000 2.360 596 K HA -0.071 4.252 4.320 0.004 0.000 0.201 596 K C 1.656 178.255 176.600 -0.001 0.000 1.046 596 K CA 0.929 57.215 56.287 -0.002 0.000 0.940 596 K CB -1.163 31.338 32.500 0.002 0.000 0.748 596 K HN 0.799 nan 8.250 nan 0.000 0.465 597 G N 1.782 110.581 108.800 -0.003 0.000 2.189 597 G HA2 -0.324 3.638 3.960 0.004 0.000 0.267 597 G HA3 -0.324 3.638 3.960 0.004 0.000 0.267 597 G C 0.410 175.312 174.900 0.003 0.000 0.975 597 G CA 0.709 45.809 45.100 -0.001 0.000 0.644 597 G HN 0.521 nan 8.290 nan 0.000 0.537 598 N N 0.623 119.325 118.700 0.005 0.000 2.567 598 N HA 0.093 4.835 4.740 0.004 0.000 0.195 598 N C 0.978 176.500 175.510 0.020 0.000 1.242 598 N CA 0.838 53.894 53.050 0.009 0.000 0.884 598 N CB -0.723 37.771 38.487 0.011 0.000 1.007 598 N HN 1.053 nan 8.380 nan 0.000 0.450 599 V N -0.865 119.061 119.914 0.019 0.000 2.420 599 V HA 0.116 4.239 4.120 0.004 0.000 0.274 599 V C 0.428 176.554 176.094 0.053 0.000 1.003 599 V CA -0.865 61.453 62.300 0.030 0.000 1.092 599 V CB -0.216 31.613 31.823 0.010 0.000 1.002 599 V HN -0.054 nan 8.190 nan 0.000 0.473 600 V N 5.637 125.605 119.914 0.091 0.000 2.356 600 V HA 0.170 4.292 4.120 0.004 0.000 0.258 600 V C 0.671 176.868 176.094 0.172 0.000 1.065 600 V CA -0.073 62.291 62.300 0.106 0.000 0.935 600 V CB 0.581 32.464 31.823 0.099 0.000 1.061 600 V HN 0.993 nan 8.190 nan 0.000 0.484 601 D N 8.249 128.734 120.400 0.142 0.000 2.389 601 D HA 0.117 4.759 4.640 0.004 0.000 0.247 601 D C -1.172 175.262 176.300 0.225 0.000 1.128 601 D CA -1.669 52.438 54.000 0.178 0.000 0.884 601 D CB 2.141 43.049 40.800 0.179 0.000 1.194 601 D HN 0.247 nan 8.370 nan 0.000 0.441 602 P HA -0.083 nan 4.420 nan 0.000 0.226 602 P C 1.272 178.657 177.300 0.142 0.000 1.153 602 P CA 0.680 63.901 63.100 0.201 0.000 0.777 602 P CB 0.069 31.861 31.700 0.154 0.000 0.794 603 W N 1.180 122.569 121.300 0.149 0.000 2.402 603 W HA -0.093 4.570 4.660 0.004 0.000 0.286 603 W C 2.185 178.764 176.519 0.101 0.000 1.221 603 W CA 0.821 58.237 57.345 0.119 0.000 1.257 603 W CB -0.650 28.865 29.460 0.092 0.000 1.120 603 W HN -0.055 nan 8.180 nan 0.000 0.551 604 D N 0.179 120.769 120.400 0.317 0.000 2.104 604 D HA -0.205 4.438 4.640 0.004 0.000 0.194 604 D C 2.070 178.504 176.300 0.223 0.000 0.994 604 D CA 1.577 55.706 54.000 0.215 0.000 0.830 604 D CB -0.333 40.553 40.800 0.143 0.000 0.959 604 D HN 0.044 nan 8.370 nan 0.000 0.452 605 I N 1.790 122.484 120.570 0.206 0.000 2.202 605 I HA -0.188 3.985 4.170 0.004 0.000 0.242 605 I C 2.682 178.966 176.117 0.279 0.000 1.091 605 I CA 0.722 62.163 61.300 0.236 0.000 1.368 605 I CB -1.228 36.838 38.000 0.110 0.000 1.058 605 I HN 0.114 nan 8.210 nan 0.000 0.410 606 I N 0.324 120.985 120.570 0.151 0.000 2.700 606 I HA -0.211 3.962 4.170 0.004 0.000 0.261 606 I C 2.343 178.537 176.117 0.129 0.000 1.219 606 I CA 1.294 62.642 61.300 0.079 0.000 1.463 606 I CB -0.577 37.339 38.000 -0.141 0.000 1.092 606 I HN 0.280 nan 8.210 nan 0.000 0.452 607 R N 1.281 121.896 120.500 0.192 0.000 2.362 607 R HA 0.211 4.554 4.340 0.004 0.000 0.227 607 R C 1.300 177.631 176.300 0.051 0.000 0.905 607 R CA -0.032 56.158 56.100 0.150 0.000 1.067 607 R CB -0.026 30.395 30.300 0.202 0.000 1.078 607 R HN 0.310 nan 8.270 nan 0.000 0.516 608 K N -0.461 119.965 120.400 0.042 0.000 2.402 608 K HA 0.223 4.545 4.320 0.004 0.000 0.203 608 K C -0.117 176.086 176.600 -0.663 0.000 1.077 608 K CA 0.217 56.346 56.287 -0.263 0.000 1.051 608 K CB 0.624 32.975 32.500 -0.248 0.000 0.907 608 K HN 0.130 nan 8.250 nan 0.000 0.554 609 F N -0.120 119.844 119.950 0.023 0.000 2.828 609 F HA 0.220 4.749 4.527 0.005 0.000 0.368 609 F C 0.621 176.445 175.800 0.041 0.000 0.877 609 F CA 0.069 58.081 58.000 0.021 0.000 1.071 609 F CB 1.185 40.148 39.000 -0.063 0.000 1.006 609 F HN 0.005 nan 8.300 nan 0.000 0.598 610 G N 0.894 109.816 108.800 0.204 0.000 2.675 610 G HA2 0.229 4.191 3.960 0.004 0.000 0.686 610 G HA3 0.229 4.191 3.960 0.004 0.000 0.686 610 G C 0.641 175.599 174.900 0.097 0.000 1.215 610 G CA -0.380 44.778 45.100 0.096 0.000 0.777 610 G HN 0.591 nan 8.290 nan 0.000 0.638 611 A N 0.467 123.308 122.820 0.034 0.000 1.903 611 A HA -0.108 4.215 4.320 0.004 0.000 0.219 611 A C 2.112 179.839 177.584 0.238 0.000 1.191 611 A CA 2.816 54.921 52.037 0.113 0.000 0.638 611 A CB -0.618 18.519 19.000 0.228 0.000 0.823 611 A HN 0.946 nan 8.150 nan 0.000 0.451 612 D N -0.431 120.210 120.400 0.402 0.000 2.203 612 D HA -0.103 4.539 4.640 0.004 0.000 0.199 612 D C 2.132 178.703 176.300 0.452 0.000 0.997 612 D CA 1.506 55.792 54.000 0.477 0.000 0.863 612 D CB -0.272 40.849 40.800 0.534 0.000 0.928 612 D HN 0.473 nan 8.370 nan 0.000 0.458 613 A N 0.008 122.976 122.820 0.246 0.000 1.897 613 A HA -0.069 4.253 4.320 0.004 0.000 0.215 613 A C 2.303 179.934 177.584 0.079 0.000 1.181 613 A CA 0.662 52.690 52.037 -0.015 0.000 0.620 613 A CB -0.747 18.166 19.000 -0.146 0.000 0.821 613 A HN 0.259 nan 8.150 nan 0.000 0.443 614 L N -0.584 120.688 121.223 0.082 0.000 1.971 614 L HA -0.259 4.084 4.340 0.004 0.000 0.215 614 L C 2.927 179.789 176.870 -0.014 0.000 1.072 614 L CA 1.665 56.551 54.840 0.077 0.000 0.758 614 L CB -0.367 41.703 42.059 0.017 0.000 0.889 614 L HN 0.391 nan 8.230 nan 0.000 0.433 615 R N -0.830 119.639 120.500 -0.052 0.000 2.122 615 R HA -0.303 4.040 4.340 0.004 0.000 0.236 615 R C 2.102 178.225 176.300 -0.295 0.000 1.129 615 R CA 2.492 58.444 56.100 -0.247 0.000 0.925 615 R CB -1.135 29.210 30.300 0.076 0.000 0.850 615 R HN 0.613 nan 8.270 nan 0.000 0.431 616 W N 0.883 122.209 121.300 0.044 0.000 2.338 616 W HA -0.298 4.365 4.660 0.005 0.000 0.304 616 W C 2.093 178.634 176.519 0.036 0.000 1.212 616 W CA 1.583 59.052 57.345 0.206 0.000 1.264 616 W CB -0.534 29.158 29.460 0.386 0.000 1.142 616 W HN 0.156 nan 8.180 nan 0.000 0.512 617 Y N 1.453 121.772 120.300 0.032 0.000 2.081 617 Y HA -0.327 4.225 4.550 0.004 0.000 0.280 617 Y C 2.423 178.222 175.900 -0.169 0.000 1.163 617 Y CA 2.429 60.497 58.100 -0.053 0.000 1.135 617 Y CB -1.058 37.401 38.460 -0.003 0.000 0.970 617 Y HN -0.206 nan 8.280 nan 0.000 0.498 618 I N -0.365 119.918 120.570 -0.479 0.000 2.091 618 I HA -0.367 3.806 4.170 0.004 0.000 0.239 618 I C 2.304 178.125 176.117 -0.494 0.000 1.061 618 I CA 1.634 62.575 61.300 -0.597 0.000 1.317 618 I CB -1.988 35.574 38.000 -0.730 0.000 1.031 618 I HN 0.237 nan 8.210 nan 0.000 0.401 619 Y N 0.266 120.360 120.300 -0.344 0.000 2.151 619 Y HA -0.183 4.369 4.550 0.004 0.000 0.284 619 Y C 2.759 178.424 175.900 -0.393 0.000 1.166 619 Y CA 1.391 59.303 58.100 -0.314 0.000 1.163 619 Y CB -1.230 37.005 38.460 -0.375 0.000 0.974 619 Y HN 0.043 nan 8.280 nan 0.000 0.511 620 V N -0.632 119.031 119.914 -0.418 0.000 3.431 620 V HA -0.079 4.044 4.120 0.004 0.000 0.253 620 V C 2.121 178.050 176.094 -0.274 0.000 1.184 620 V CA 1.146 63.215 62.300 -0.384 0.000 1.104 620 V CB -0.491 31.010 31.823 -0.537 0.000 0.799 620 V HN 0.556 nan 8.190 nan 0.000 0.462 621 S N 1.527 116.974 115.700 -0.422 0.000 2.369 621 S HA 0.081 4.554 4.470 0.004 0.000 0.225 621 S C 0.901 175.400 174.600 -0.169 0.000 1.043 621 S CA 1.225 59.193 58.200 -0.386 0.000 1.074 621 S CB -0.447 62.279 63.200 -0.789 0.000 0.962 621 S HN 1.500 nan 8.310 nan 0.000 0.433 622 A N 0.249 122.984 122.820 -0.143 0.000 2.540 622 A HA 0.725 5.048 4.320 0.004 0.000 0.291 622 A C -3.268 174.308 177.584 -0.014 0.000 1.083 622 A CA -1.630 50.375 52.037 -0.052 0.000 0.650 622 A CB -0.018 18.968 19.000 -0.023 0.000 1.292 622 A HN 0.232 nan 8.150 nan 0.000 0.435 623 P HA 0.194 nan 4.420 nan 0.000 0.269 623 P C -1.955 175.383 177.300 0.063 0.000 1.217 623 P CA -0.577 62.544 63.100 0.035 0.000 0.783 623 P CB 0.185 31.898 31.700 0.022 0.000 0.898 624 P HA -0.183 nan 4.420 nan 0.000 0.219 624 P C 0.901 178.250 177.300 0.083 0.000 1.146 624 P CA 1.490 64.612 63.100 0.037 0.000 0.808 624 P CB -0.003 31.510 31.700 -0.312 0.000 0.779 625 E N 0.420 120.654 120.200 0.056 0.000 2.015 625 E HA -0.005 4.348 4.350 0.004 0.000 0.191 625 E C 1.265 177.917 176.600 0.087 0.000 0.991 625 E CA 0.776 57.222 56.400 0.077 0.000 0.802 625 E CB -1.210 28.535 29.700 0.077 0.000 0.759 625 E HN 0.137 nan 8.360 nan 0.000 0.447 626 A N 1.705 124.566 122.820 0.068 0.000 2.567 626 A HA -0.057 4.266 4.320 0.004 0.000 0.236 626 A C -0.105 177.527 177.584 0.079 0.000 1.088 626 A CA 0.294 52.368 52.037 0.062 0.000 0.776 626 A CB 0.039 19.065 19.000 0.043 0.000 1.033 626 A HN 0.077 nan 8.150 nan 0.000 0.513 627 D N 0.813 121.256 120.400 0.072 0.000 2.193 627 D HA 0.438 5.081 4.640 0.004 0.000 0.244 627 D C 0.246 176.595 176.300 0.081 0.000 1.064 627 D CA -0.102 53.948 54.000 0.083 0.000 0.845 627 D CB 1.225 42.069 40.800 0.074 0.000 1.148 627 D HN 0.605 nan 8.370 nan 0.000 0.464 628 R N 1.073 121.633 120.500 0.099 0.000 2.807 628 R HA 0.591 4.934 4.340 0.004 0.000 0.276 628 R C -0.631 175.778 176.300 0.181 0.000 0.979 628 R CA -0.868 55.305 56.100 0.121 0.000 0.928 628 R CB 1.593 31.950 30.300 0.096 0.000 1.191 628 R HN 0.119 nan 8.270 nan 0.000 0.471 629 R N 0.882 121.500 120.500 0.197 0.000 2.490 629 R HA 0.305 4.647 4.340 0.004 0.000 0.280 629 R C -0.905 175.594 176.300 0.331 0.000 1.077 629 R CA 0.059 56.277 56.100 0.197 0.000 1.065 629 R CB 0.379 30.754 30.300 0.125 0.000 1.003 629 R HN 0.600 nan 8.270 nan 0.000 0.470 630 F N 1.504 121.498 119.950 0.073 0.000 2.828 630 F HA 0.596 5.125 4.527 0.004 0.000 0.355 630 F C -0.735 175.020 175.800 -0.076 0.000 1.200 630 F CA -0.336 57.683 58.000 0.031 0.000 1.062 630 F CB 1.444 40.511 39.000 0.112 0.000 1.351 630 F HN 0.535 nan 8.300 nan 0.000 0.504 631 G N 5.593 113.978 108.800 -0.692 0.000 2.659 631 G HA2 0.461 4.423 3.960 0.004 0.000 0.296 631 G HA3 0.461 4.423 3.960 0.004 0.000 0.296 631 G C -2.508 171.985 174.900 -0.679 0.000 1.369 631 G CA -1.643 43.081 45.100 -0.627 0.000 0.937 631 G HN 0.254 nan 8.290 nan 0.000 0.485 632 P HA -0.243 nan 4.420 nan 0.000 0.218 632 P C 1.050 178.130 177.300 -0.366 0.000 1.154 632 P CA 1.498 64.348 63.100 -0.416 0.000 0.872 632 P CB 0.294 31.917 31.700 -0.128 0.000 0.790 633 N N -0.503 118.051 118.700 -0.244 0.000 2.142 633 N HA -0.095 4.648 4.740 0.004 0.000 0.186 633 N C 1.738 177.109 175.510 -0.231 0.000 1.023 633 N CA 0.915 53.871 53.050 -0.158 0.000 0.852 633 N CB -1.069 37.360 38.487 -0.098 0.000 0.998 633 N HN 0.068 nan 8.380 nan 0.000 0.424 634 L N 0.347 121.369 121.223 -0.334 0.000 2.046 634 L HA -0.063 4.280 4.340 0.004 0.000 0.208 634 L C 2.139 178.695 176.870 -0.524 0.000 1.077 634 L CA 0.962 55.584 54.840 -0.363 0.000 0.747 634 L CB -0.968 40.846 42.059 -0.408 0.000 0.896 634 L HN 0.019 nan 8.230 nan 0.000 0.432 635 V N -0.231 119.200 119.914 -0.806 0.000 2.252 635 V HA -0.365 3.757 4.120 0.004 0.000 0.249 635 V C 2.742 178.483 176.094 -0.589 0.000 1.056 635 V CA 2.158 63.956 62.300 -0.837 0.000 1.022 635 V CB -0.708 30.482 31.823 -1.056 0.000 0.641 635 V HN 0.482 nan 8.190 nan 0.000 0.445 636 R N 0.227 120.379 120.500 -0.580 0.000 2.113 636 R HA -0.292 4.051 4.340 0.004 0.000 0.244 636 R C 2.315 178.619 176.300 0.007 0.000 1.142 636 R CA 2.372 58.444 56.100 -0.046 0.000 0.953 636 R CB -0.392 30.023 30.300 0.190 0.000 0.860 636 R HN 0.530 nan 8.270 nan 0.000 0.438 637 E N 0.008 120.184 120.200 -0.040 0.000 2.160 637 E HA -0.158 4.195 4.350 0.004 0.000 0.195 637 E C 1.729 178.376 176.600 0.077 0.000 0.991 637 E CA 2.203 58.620 56.400 0.028 0.000 0.810 637 E CB -0.236 29.476 29.700 0.020 0.000 0.742 637 E HN 0.625 nan 8.360 nan 0.000 0.466 638 T N -2.591 112.008 114.554 0.075 0.000 2.942 638 T HA -0.046 4.307 4.350 0.004 0.000 0.265 638 T C 1.990 176.780 174.700 0.149 0.000 1.062 638 T CA 1.026 63.239 62.100 0.188 0.000 1.139 638 T CB -0.619 68.436 68.868 0.312 0.000 0.883 638 T HN -0.007 nan 8.240 nan 0.000 0.468 639 V N 2.231 122.140 119.914 -0.009 0.000 2.233 639 V HA -0.189 3.934 4.120 0.004 0.000 0.247 639 V C 3.080 179.271 176.094 0.162 0.000 1.050 639 V CA 1.736 64.004 62.300 -0.053 0.000 1.010 639 V CB -0.672 31.160 31.823 0.013 0.000 0.637 639 V HN 0.362 nan 8.190 nan 0.000 0.444 640 R N 0.147 120.738 120.500 0.151 0.000 2.117 640 R HA -0.214 4.128 4.340 0.004 0.000 0.243 640 R C 1.987 178.384 176.300 0.160 0.000 1.143 640 R CA 2.061 58.252 56.100 0.152 0.000 0.968 640 R CB -0.978 29.393 30.300 0.119 0.000 0.863 640 R HN 0.730 nan 8.270 nan 0.000 0.444 641 D N -0.669 119.839 120.400 0.180 0.000 2.087 641 D HA -0.177 4.465 4.640 0.004 0.000 0.201 641 D C 1.824 178.276 176.300 0.254 0.000 0.980 641 D CA 1.157 55.281 54.000 0.206 0.000 0.849 641 D CB -0.144 40.792 40.800 0.226 0.000 1.001 641 D HN 0.207 nan 8.370 nan 0.000 0.452 642 Y N -0.879 119.531 120.300 0.183 0.000 2.301 642 Y HA 0.097 4.650 4.550 0.005 0.000 0.295 642 Y C 1.893 177.865 175.900 0.121 0.000 1.126 642 Y CA 0.809 58.988 58.100 0.132 0.000 1.154 642 Y CB -0.486 38.036 38.460 0.104 0.000 1.075 642 Y HN -0.076 nan 8.280 nan 0.000 0.534 643 F N 0.641 120.437 119.950 -0.257 0.000 2.095 643 F HA -0.255 4.275 4.527 0.004 0.000 0.298 643 F C 2.238 177.998 175.800 -0.066 0.000 1.104 643 F CA 1.558 59.353 58.000 -0.341 0.000 1.232 643 F CB -1.074 37.727 39.000 -0.332 0.000 0.987 643 F HN 0.087 nan 8.300 nan 0.000 0.475 644 L N -1.185 120.186 121.223 0.248 0.000 1.973 644 L HA -0.216 4.126 4.340 0.004 0.000 0.208 644 L C 2.410 179.391 176.870 0.184 0.000 1.073 644 L CA 1.816 56.805 54.840 0.248 0.000 0.746 644 L CB -1.390 40.789 42.059 0.199 0.000 0.891 644 L HN 0.056 nan 8.230 nan 0.000 0.433 645 T N 0.638 115.251 114.554 0.098 0.000 2.653 645 T HA -0.293 4.060 4.350 0.004 0.000 0.267 645 T C 1.764 176.467 174.700 0.005 0.000 1.037 645 T CA 2.235 64.362 62.100 0.045 0.000 1.159 645 T CB -0.386 68.499 68.868 0.028 0.000 0.859 645 T HN 0.145 nan 8.240 nan 0.000 0.449 646 L N 0.059 121.226 121.223 -0.093 0.000 2.005 646 L HA 0.058 4.401 4.340 0.004 0.000 0.207 646 L C 2.206 179.142 176.870 0.108 0.000 1.072 646 L CA 1.743 56.508 54.840 -0.125 0.000 0.744 646 L CB -0.808 40.997 42.059 -0.423 0.000 0.895 646 L HN 0.482 nan 8.230 nan 0.000 0.433 647 W N 0.715 122.002 121.300 -0.021 0.000 2.304 647 W HA -0.411 4.252 4.660 0.004 0.000 0.315 647 W C 2.479 179.109 176.519 0.186 0.000 1.233 647 W CA 2.048 59.486 57.345 0.154 0.000 1.261 647 W CB -0.349 29.225 29.460 0.191 0.000 1.150 647 W HN 0.598 nan 8.180 nan 0.000 0.494 648 N N 0.786 119.662 118.700 0.292 0.000 2.006 648 N HA -0.243 4.500 4.740 0.004 0.000 0.196 648 N C 1.660 177.212 175.510 0.070 0.000 1.057 648 N CA 3.045 56.181 53.050 0.144 0.000 0.853 648 N CB -1.371 37.192 38.487 0.126 0.000 1.051 648 N HN 0.047 nan 8.380 nan 0.000 0.423 649 V N -0.248 119.683 119.914 0.029 0.000 2.828 649 V HA -0.192 3.931 4.120 0.004 0.000 0.260 649 V C 2.000 178.137 176.094 0.071 0.000 1.101 649 V CA 1.953 64.238 62.300 -0.024 0.000 1.123 649 V CB -1.095 30.664 31.823 -0.108 0.000 0.704 649 V HN 0.544 nan 8.190 nan 0.000 0.493 650 Y N 0.441 120.686 120.300 -0.092 0.000 2.243 650 Y HA -0.028 4.525 4.550 0.004 0.000 0.293 650 Y C 2.753 178.590 175.900 -0.107 0.000 1.124 650 Y CA 1.966 59.979 58.100 -0.145 0.000 1.159 650 Y CB -0.706 37.593 38.460 -0.268 0.000 1.008 650 Y HN 0.270 nan 8.280 nan 0.000 0.527 651 S N 0.016 115.491 115.700 -0.376 0.000 2.356 651 S HA -0.219 4.254 4.470 0.004 0.000 0.223 651 S C 2.017 176.527 174.600 -0.150 0.000 1.032 651 S CA 1.347 59.292 58.200 -0.425 0.000 1.005 651 S CB -1.060 61.977 63.200 -0.271 0.000 0.867 651 S HN 0.550 nan 8.310 nan 0.000 0.449 652 F N 1.718 121.563 119.950 -0.175 0.000 2.008 652 F HA -0.203 4.327 4.527 0.004 0.000 0.297 652 F C 1.917 177.633 175.800 -0.141 0.000 1.156 652 F CA 2.439 60.322 58.000 -0.196 0.000 1.191 652 F CB -1.132 37.733 39.000 -0.223 0.000 0.955 652 F HN 0.366 nan 8.300 nan 0.000 0.497 653 F N 0.606 120.633 119.950 0.129 0.000 2.085 653 F HA -0.310 4.220 4.527 0.004 0.000 0.299 653 F C 2.011 177.862 175.800 0.084 0.000 1.096 653 F CA 2.348 60.415 58.000 0.111 0.000 1.227 653 F CB -1.033 38.030 39.000 0.105 0.000 0.983 653 F HN -0.057 nan 8.300 nan 0.000 0.482 654 V N 0.137 120.028 119.914 -0.038 0.000 2.237 654 V HA -0.330 3.793 4.120 0.004 0.000 0.245 654 V C 2.356 178.411 176.094 -0.065 0.000 1.046 654 V CA 2.530 64.738 62.300 -0.152 0.000 1.007 654 V CB -1.235 30.416 31.823 -0.286 0.000 0.638 654 V HN 0.471 nan 8.190 nan 0.000 0.445 655 T N -0.841 113.676 114.554 -0.061 0.000 2.760 655 T HA -0.234 4.119 4.350 0.004 0.000 0.269 655 T C 1.672 176.453 174.700 0.134 0.000 1.047 655 T CA 2.053 64.166 62.100 0.023 0.000 1.139 655 T CB -0.324 68.563 68.868 0.032 0.000 0.855 655 T HN 0.478 nan 8.240 nan 0.000 0.471 656 Y N 0.284 120.476 120.300 -0.181 0.000 2.441 656 Y HA 0.497 5.049 4.550 0.004 0.000 0.288 656 Y C 2.522 178.452 175.900 0.051 0.000 1.118 656 Y CA -0.629 57.428 58.100 -0.071 0.000 1.215 656 Y CB -1.041 37.400 38.460 -0.032 0.000 1.118 656 Y HN 0.161 nan 8.280 nan 0.000 0.547 657 A N 0.254 123.203 122.820 0.214 0.000 1.972 657 A HA -0.212 4.110 4.320 0.004 0.000 0.219 657 A C 1.773 179.303 177.584 -0.090 0.000 1.169 657 A CA 1.839 53.897 52.037 0.035 0.000 0.635 657 A CB -0.713 18.164 19.000 -0.205 0.000 0.810 657 A HN 0.345 nan 8.150 nan 0.000 0.446 658 N N -0.609 118.074 118.700 -0.027 0.000 2.551 658 N HA 0.141 4.883 4.740 0.004 0.000 0.199 658 N C 0.838 176.271 175.510 -0.128 0.000 1.277 658 N CA 0.476 53.479 53.050 -0.078 0.000 0.870 658 N CB -0.112 38.363 38.487 -0.020 0.000 1.028 658 N HN 0.586 nan 8.380 nan 0.000 0.452 659 L N -1.627 119.504 121.223 -0.153 0.000 2.932 659 L HA 0.206 4.549 4.340 0.004 0.000 0.168 659 L C 0.649 177.392 176.870 -0.211 0.000 1.125 659 L CA -0.049 54.680 54.840 -0.185 0.000 0.868 659 L CB -0.349 41.573 42.059 -0.229 0.000 1.496 659 L HN -0.168 nan 8.230 nan 0.000 0.519 660 D N 0.868 121.120 120.400 -0.246 0.000 2.389 660 D HA -0.085 4.557 4.640 0.004 0.000 0.221 660 D C -0.111 175.964 176.300 -0.375 0.000 0.974 660 D CA 0.272 54.074 54.000 -0.330 0.000 0.923 660 D CB -0.161 40.352 40.800 -0.478 0.000 0.892 660 D HN 0.008 nan 8.370 nan 0.000 0.518 661 R N 0.091 120.391 120.500 -0.333 0.000 2.711 661 R HA -0.152 4.191 4.340 0.004 0.000 0.253 661 R C -2.480 173.628 176.300 -0.321 0.000 0.879 661 R CA 0.120 56.039 56.100 -0.303 0.000 0.686 661 R CB -2.473 27.689 30.300 -0.230 0.000 1.618 661 R HN 0.268 nan 8.270 nan 0.000 0.525 662 P HA 0.169 nan 4.420 nan 0.000 0.281 662 P C -0.409 176.768 177.300 -0.204 0.000 1.249 662 P CA -0.552 62.362 63.100 -0.310 0.000 0.810 662 P CB 0.751 32.247 31.700 -0.341 0.000 1.008 663 D N 1.056 121.369 120.400 -0.145 0.000 2.522 663 D HA 0.129 4.771 4.640 0.004 0.000 0.218 663 D C 0.916 177.163 176.300 -0.088 0.000 1.149 663 D CA 0.035 53.966 54.000 -0.115 0.000 0.981 663 D CB -0.492 40.256 40.800 -0.087 0.000 1.041 663 D HN 0.201 nan 8.370 nan 0.000 0.518 664 L N 2.001 123.149 121.223 -0.126 0.000 2.275 664 L HA -0.085 4.257 4.340 0.004 0.000 0.215 664 L C 2.186 179.013 176.870 -0.071 0.000 1.119 664 L CA 0.747 55.506 54.840 -0.135 0.000 0.790 664 L CB -0.143 41.703 42.059 -0.355 0.000 0.919 664 L HN 0.304 nan 8.230 nan 0.000 0.443 665 K N 0.043 120.403 120.400 -0.067 0.000 2.155 665 K HA -0.006 4.317 4.320 0.004 0.000 0.203 665 K C 0.384 176.978 176.600 -0.010 0.000 1.052 665 K CA 0.726 56.995 56.287 -0.031 0.000 0.948 665 K CB 0.108 32.584 32.500 -0.041 0.000 0.728 665 K HN 0.306 nan 8.250 nan 0.000 0.448 666 N N 1.593 120.282 118.700 -0.017 0.000 2.841 666 N HA 0.239 4.982 4.740 0.004 0.000 0.257 666 N C -2.801 172.711 175.510 0.004 0.000 1.396 666 N CA -0.918 52.129 53.050 -0.004 0.000 0.823 666 N CB 1.725 40.204 38.487 -0.013 0.000 1.162 666 N HN -0.009 nan 8.380 nan 0.000 0.503 667 P HA 0.309 nan 4.420 nan 0.000 0.276 667 P C -2.344 174.980 177.300 0.041 0.000 1.252 667 P CA -0.980 62.146 63.100 0.043 0.000 0.802 667 P CB 0.182 31.927 31.700 0.076 0.000 1.035 668 P HA 0.268 nan 4.420 nan 0.000 0.275 668 P C -2.604 174.725 177.300 0.050 0.000 1.227 668 P CA -1.444 61.682 63.100 0.044 0.000 0.781 668 P CB -0.549 31.180 31.700 0.049 0.000 0.906 669 P HA 0.047 nan 4.420 nan 0.000 0.266 669 P C -1.517 175.812 177.300 0.049 0.000 1.195 669 P CA -0.972 62.152 63.100 0.040 0.000 0.768 669 P CB -0.335 31.385 31.700 0.032 0.000 0.838 670 P HA -0.232 nan 4.420 nan 0.000 0.216 670 P C 1.206 178.540 177.300 0.056 0.000 1.150 670 P CA 1.691 64.824 63.100 0.055 0.000 0.837 670 P CB -0.032 31.693 31.700 0.042 0.000 0.786 671 E N 1.642 121.870 120.200 0.046 0.000 2.070 671 E HA -0.227 4.126 4.350 0.004 0.000 0.197 671 E C 1.660 178.290 176.600 0.050 0.000 1.004 671 E CA 1.372 57.800 56.400 0.045 0.000 0.805 671 E CB -0.880 28.842 29.700 0.036 0.000 0.744 671 E HN 0.261 nan 8.360 nan 0.000 0.451 672 K N 0.120 120.548 120.400 0.047 0.000 2.459 672 K HA 0.091 4.414 4.320 0.004 0.000 0.193 672 K C 0.487 177.122 176.600 0.059 0.000 1.030 672 K CA -0.231 56.084 56.287 0.047 0.000 1.026 672 K CB 0.191 32.715 32.500 0.040 0.000 0.809 672 K HN -0.069 nan 8.250 nan 0.000 0.504 673 R N 1.474 122.017 120.500 0.071 0.000 2.784 673 R HA 0.095 4.437 4.340 0.004 0.000 0.266 673 R C -2.045 174.313 176.300 0.096 0.000 1.044 673 R CA -2.129 54.025 56.100 0.091 0.000 1.151 673 R CB -0.671 29.693 30.300 0.108 0.000 1.037 673 R HN -0.037 nan 8.270 nan 0.000 0.478 674 P HA -0.062 nan 4.420 nan 0.000 0.287 674 P C 0.388 177.756 177.300 0.113 0.000 1.282 674 P CA 0.112 63.271 63.100 0.098 0.000 0.804 674 P CB 0.467 32.227 31.700 0.100 0.000 1.323 675 E N -0.846 119.416 120.200 0.102 0.000 2.022 675 E HA -0.006 4.346 4.350 0.004 0.000 0.193 675 E C 1.900 178.611 176.600 0.185 0.000 0.969 675 E CA 1.087 57.556 56.400 0.115 0.000 0.834 675 E CB -1.008 28.735 29.700 0.072 0.000 0.798 675 E HN 0.297 nan 8.360 nan 0.000 0.467 676 M N 0.848 120.551 119.600 0.171 0.000 2.279 676 M HA -0.195 4.288 4.480 0.004 0.000 0.264 676 M C 0.641 177.236 176.300 0.491 0.000 1.062 676 M CA 1.502 56.979 55.300 0.295 0.000 1.099 676 M CB -0.021 32.638 32.600 0.098 0.000 1.394 676 M HN 0.012 nan 8.290 nan 0.000 0.426 677 D N -0.030 120.584 120.400 0.358 0.000 2.144 677 D HA -0.133 4.509 4.640 0.004 0.000 0.199 677 D C 1.921 178.399 176.300 0.296 0.000 0.984 677 D CA 1.103 55.355 54.000 0.421 0.000 0.834 677 D CB -0.107 40.879 40.800 0.308 0.000 0.955 677 D HN 0.319 nan 8.370 nan 0.000 0.465 678 R N -0.948 119.698 120.500 0.244 0.000 2.236 678 R HA -0.047 4.295 4.340 0.004 0.000 0.208 678 R C 1.839 178.247 176.300 0.179 0.000 1.036 678 R CA 0.400 56.602 56.100 0.170 0.000 1.001 678 R CB -0.041 30.346 30.300 0.145 0.000 0.896 678 R HN 0.325 nan 8.270 nan 0.000 0.464 679 W N 0.901 122.288 121.300 0.145 0.000 2.413 679 W HA -0.182 4.480 4.660 0.004 0.000 0.315 679 W C 1.586 178.201 176.519 0.159 0.000 1.186 679 W CA 0.933 58.365 57.345 0.146 0.000 1.326 679 W CB -0.765 28.801 29.460 0.177 0.000 1.153 679 W HN 0.012 nan 8.180 nan 0.000 0.489 680 L N 0.977 121.824 121.223 -0.626 0.000 2.129 680 L HA -0.236 4.107 4.340 0.004 0.000 0.212 680 L C 2.367 178.921 176.870 -0.526 0.000 1.087 680 L CA 1.991 56.198 54.840 -1.055 0.000 0.757 680 L CB -0.547 41.268 42.059 -0.407 0.000 0.896 680 L HN 0.216 nan 8.230 nan 0.000 0.434 681 L N -0.804 120.264 121.223 -0.259 0.000 2.156 681 L HA -0.117 4.225 4.340 0.004 0.000 0.208 681 L C 2.730 179.487 176.870 -0.187 0.000 1.095 681 L CA 0.890 55.627 54.840 -0.171 0.000 0.770 681 L CB -0.789 41.230 42.059 -0.066 0.000 0.914 681 L HN 0.380 nan 8.230 nan 0.000 0.439 682 A N 0.183 122.888 122.820 -0.191 0.000 1.969 682 A HA -0.214 4.108 4.320 0.004 0.000 0.218 682 A C 2.330 179.804 177.584 -0.183 0.000 1.169 682 A CA 1.452 53.410 52.037 -0.132 0.000 0.635 682 A CB -0.377 18.596 19.000 -0.044 0.000 0.810 682 A HN 0.270 nan 8.150 nan 0.000 0.445 683 R N -0.226 120.071 120.500 -0.338 0.000 2.092 683 R HA 0.020 4.362 4.340 0.004 0.000 0.231 683 R C 1.968 178.092 176.300 -0.293 0.000 1.119 683 R CA 2.014 57.947 56.100 -0.278 0.000 0.970 683 R CB -0.603 29.446 30.300 -0.418 0.000 0.864 683 R HN 0.535 nan 8.270 nan 0.000 0.440 684 M N 0.101 119.492 119.600 -0.348 0.000 2.213 684 M HA -0.159 4.323 4.480 0.004 0.000 0.263 684 M C 1.743 177.865 176.300 -0.297 0.000 1.062 684 M CA 1.409 56.459 55.300 -0.415 0.000 1.105 684 M CB -0.100 32.301 32.600 -0.332 0.000 1.385 684 M HN 0.088 nan 8.290 nan 0.000 0.417 685 Q N -0.144 119.535 119.800 -0.202 0.000 2.230 685 Q HA -0.134 4.209 4.340 0.004 0.000 0.202 685 Q C 1.366 177.297 176.000 -0.116 0.000 0.963 685 Q CA 1.364 57.084 55.803 -0.138 0.000 0.866 685 Q CB -0.478 28.205 28.738 -0.091 0.000 0.931 685 Q HN 0.544 nan 8.270 nan 0.000 0.452 686 D N 0.181 120.507 120.400 -0.124 0.000 2.110 686 D HA -0.113 4.530 4.640 0.004 0.000 0.202 686 D C 1.853 178.093 176.300 -0.100 0.000 0.975 686 D CA 0.378 54.330 54.000 -0.079 0.000 0.839 686 D CB -0.038 40.735 40.800 -0.044 0.000 0.996 686 D HN 0.138 nan 8.370 nan 0.000 0.464 687 L N 0.449 121.561 121.223 -0.186 0.000 2.129 687 L HA -0.140 4.203 4.340 0.004 0.000 0.212 687 L C 2.011 178.789 176.870 -0.154 0.000 1.087 687 L CA 1.533 56.242 54.840 -0.217 0.000 0.757 687 L CB -0.368 41.400 42.059 -0.486 0.000 0.896 687 L HN 0.211 nan 8.230 nan 0.000 0.434 688 I N -1.125 119.346 120.570 -0.164 0.000 2.202 688 I HA -0.277 3.895 4.170 0.004 0.000 0.242 688 I C 2.546 178.676 176.117 0.022 0.000 1.091 688 I CA 1.272 62.512 61.300 -0.101 0.000 1.368 688 I CB -0.447 37.461 38.000 -0.154 0.000 1.058 688 I HN 0.384 nan 8.210 nan 0.000 0.410 689 Q N 0.451 120.251 119.800 0.001 0.000 2.030 689 Q HA -0.241 4.102 4.340 0.004 0.000 0.204 689 Q C 2.416 178.444 176.000 0.046 0.000 0.986 689 Q CA 1.645 57.470 55.803 0.038 0.000 0.843 689 Q CB -0.123 28.624 28.738 0.015 0.000 0.904 689 Q HN 0.298 nan 8.270 nan 0.000 0.420 690 R N 0.075 120.586 120.500 0.018 0.000 2.103 690 R HA -0.153 4.189 4.340 0.004 0.000 0.234 690 R C 2.254 178.575 176.300 0.036 0.000 1.132 690 R CA 1.440 57.551 56.100 0.018 0.000 0.925 690 R CB -1.176 29.126 30.300 0.002 0.000 0.842 690 R HN 0.106 nan 8.270 nan 0.000 0.430 691 V N 0.413 120.359 119.914 0.053 0.000 2.453 691 V HA -0.286 3.836 4.120 0.004 0.000 0.252 691 V C 1.932 178.116 176.094 0.150 0.000 1.068 691 V CA 2.379 64.744 62.300 0.109 0.000 1.070 691 V CB -0.723 31.195 31.823 0.159 0.000 0.664 691 V HN 0.493 nan 8.190 nan 0.000 0.461 692 T N -0.898 113.785 114.554 0.215 0.000 2.857 692 T HA -0.133 4.219 4.350 0.004 0.000 0.266 692 T C 1.784 176.489 174.700 0.009 0.000 1.048 692 T CA 1.295 63.517 62.100 0.204 0.000 1.139 692 T CB -0.130 68.964 68.868 0.376 0.000 0.874 692 T HN 0.580 nan 8.240 nan 0.000 0.455 693 E N 1.222 121.435 120.200 0.022 0.000 2.031 693 E HA -0.082 4.271 4.350 0.004 0.000 0.193 693 E C 2.634 179.204 176.600 -0.050 0.000 0.994 693 E CA 1.022 57.416 56.400 -0.009 0.000 0.800 693 E CB -0.251 29.455 29.700 0.010 0.000 0.752 693 E HN 0.453 nan 8.360 nan 0.000 0.447 694 A N 1.313 124.106 122.820 -0.047 0.000 1.892 694 A HA -0.198 4.125 4.320 0.004 0.000 0.218 694 A C 2.186 179.696 177.584 -0.123 0.000 1.188 694 A CA 1.332 53.338 52.037 -0.052 0.000 0.631 694 A CB -0.762 18.220 19.000 -0.030 0.000 0.822 694 A HN 0.165 nan 8.150 nan 0.000 0.447 695 L N -1.237 119.819 121.223 -0.278 0.000 2.291 695 L HA -0.097 4.245 4.340 0.004 0.000 0.214 695 L C 2.449 179.007 176.870 -0.520 0.000 1.120 695 L CA 1.117 55.643 54.840 -0.523 0.000 0.799 695 L CB -0.370 40.986 42.059 -1.171 0.000 0.925 695 L HN 0.336 nan 8.230 nan 0.000 0.446 696 E N 0.780 120.779 120.200 -0.335 0.000 2.158 696 E HA -0.060 4.292 4.350 0.004 0.000 0.191 696 E C 1.776 178.300 176.600 -0.127 0.000 0.982 696 E CA 0.983 57.248 56.400 -0.225 0.000 0.823 696 E CB 0.043 29.686 29.700 -0.095 0.000 0.766 696 E HN 0.323 nan 8.360 nan 0.000 0.468 697 A N -0.751 122.039 122.820 -0.050 0.000 2.411 697 A HA 0.116 4.439 4.320 0.004 0.000 0.251 697 A C -0.495 177.218 177.584 0.215 0.000 1.317 697 A CA -0.316 51.784 52.037 0.104 0.000 0.904 697 A CB -0.804 18.240 19.000 0.073 0.000 0.993 697 A HN 0.344 nan 8.150 nan 0.000 0.504 698 Y N -0.612 119.677 120.300 -0.019 0.000 3.225 698 Y HA -0.225 4.328 4.550 0.004 0.000 0.211 698 Y C 0.261 176.190 175.900 0.050 0.000 1.223 698 Y CA 0.953 58.997 58.100 -0.094 0.000 1.284 698 Y CB -1.441 36.861 38.460 -0.262 0.000 1.367 698 Y HN 0.533 nan 8.280 nan 0.000 0.566 699 D N 0.818 121.299 120.400 0.136 0.000 2.485 699 D HA 0.218 4.860 4.640 0.004 0.000 0.229 699 D C -1.536 174.811 176.300 0.079 0.000 1.101 699 D CA -2.360 51.701 54.000 0.103 0.000 0.906 699 D CB 1.097 41.930 40.800 0.054 0.000 1.019 699 D HN 0.081 nan 8.370 nan 0.000 0.516 700 P HA -0.082 nan 4.420 nan 0.000 0.229 700 P C 1.149 178.488 177.300 0.065 0.000 1.160 700 P CA 0.768 63.889 63.100 0.036 0.000 0.777 700 P CB 0.315 32.136 31.700 0.201 0.000 0.814 701 T N -2.525 112.074 114.554 0.074 0.000 2.901 701 T HA -0.076 4.276 4.350 0.004 0.000 0.252 701 T C 1.993 176.669 174.700 -0.040 0.000 1.035 701 T CA 1.936 64.042 62.100 0.009 0.000 1.142 701 T CB -1.746 67.130 68.868 0.013 0.000 0.869 701 T HN 0.136 nan 8.240 nan 0.000 0.442 702 T N 1.069 115.614 114.554 -0.014 0.000 2.962 702 T HA -0.072 4.281 4.350 0.004 0.000 0.270 702 T C 2.269 176.948 174.700 -0.035 0.000 1.088 702 T CA 1.438 63.525 62.100 -0.023 0.000 1.127 702 T CB -0.822 68.044 68.868 -0.004 0.000 0.883 702 T HN 0.608 nan 8.240 nan 0.000 0.493 703 S N 2.719 118.405 115.700 -0.022 0.000 2.335 703 S HA 0.105 4.577 4.470 0.004 0.000 0.216 703 S C 2.546 177.056 174.600 -0.149 0.000 1.032 703 S CA 0.801 58.996 58.200 -0.007 0.000 1.000 703 S CB -1.270 61.987 63.200 0.094 0.000 0.928 703 S HN 0.706 nan 8.310 nan 0.000 0.434 704 A N 2.413 125.088 122.820 -0.242 0.000 1.917 704 A HA -0.131 4.192 4.320 0.004 0.000 0.219 704 A C 2.418 179.752 177.584 -0.416 0.000 1.182 704 A CA 1.690 53.305 52.037 -0.704 0.000 0.633 704 A CB -0.781 17.736 19.000 -0.806 0.000 0.819 704 A HN 0.604 nan 8.150 nan 0.000 0.448 705 R N -0.790 119.555 120.500 -0.259 0.000 2.073 705 R HA -0.106 4.237 4.340 0.004 0.000 0.234 705 R C 2.500 178.782 176.300 -0.030 0.000 1.134 705 R CA 1.289 57.319 56.100 -0.116 0.000 0.952 705 R CB -0.520 29.733 30.300 -0.078 0.000 0.850 705 R HN 0.518 nan 8.270 nan 0.000 0.433 706 A N 1.436 124.235 122.820 -0.035 0.000 2.024 706 A HA -0.146 4.177 4.320 0.004 0.000 0.220 706 A C 2.065 179.673 177.584 0.039 0.000 1.164 706 A CA 0.956 52.999 52.037 0.010 0.000 0.643 706 A CB -0.457 18.540 19.000 -0.005 0.000 0.806 706 A HN 0.233 nan 8.150 nan 0.000 0.451 707 L N 0.326 121.542 121.223 -0.012 0.000 2.007 707 L HA -0.167 4.175 4.340 0.004 0.000 0.205 707 L C 2.781 179.756 176.870 0.175 0.000 1.073 707 L CA 2.691 57.551 54.840 0.034 0.000 0.744 707 L CB -0.880 41.115 42.059 -0.107 0.000 0.898 707 L HN 0.626 nan 8.230 nan 0.000 0.435 708 R N -0.008 120.575 120.500 0.139 0.000 2.105 708 R HA -0.160 4.183 4.340 0.004 0.000 0.239 708 R C 1.669 178.129 176.300 0.266 0.000 1.135 708 R CA 1.721 57.970 56.100 0.248 0.000 0.967 708 R CB -1.380 29.040 30.300 0.199 0.000 0.861 708 R HN 0.336 nan 8.270 nan 0.000 0.442 709 D N 0.148 120.664 120.400 0.192 0.000 2.116 709 D HA -0.197 4.446 4.640 0.004 0.000 0.193 709 D C 1.595 178.011 176.300 0.193 0.000 0.998 709 D CA 1.564 55.664 54.000 0.167 0.000 0.836 709 D CB -0.381 40.498 40.800 0.132 0.000 0.951 709 D HN 0.252 nan 8.370 nan 0.000 0.449 710 F N 1.890 121.887 119.950 0.077 0.000 2.046 710 F HA -0.223 4.306 4.527 0.004 0.000 0.297 710 F C 2.290 178.135 175.800 0.075 0.000 1.123 710 F CA 1.108 59.145 58.000 0.062 0.000 1.199 710 F CB -0.570 38.438 39.000 0.014 0.000 0.972 710 F HN -0.229 nan 8.300 nan 0.000 0.474 711 V N 0.075 120.018 119.914 0.049 0.000 2.546 711 V HA -0.247 3.875 4.120 0.004 0.000 0.254 711 V C 1.361 177.408 176.094 -0.078 0.000 1.076 711 V CA 1.414 63.666 62.300 -0.080 0.000 1.087 711 V CB -0.801 31.091 31.823 0.115 0.000 0.674 711 V HN 0.221 nan 8.190 nan 0.000 0.470 712 V N 1.243 121.172 119.914 0.026 0.000 2.838 712 V HA 0.298 4.421 4.120 0.004 0.000 0.356 712 V C 0.970 177.079 176.094 0.026 0.000 1.302 712 V CA 0.484 62.808 62.300 0.041 0.000 1.495 712 V CB -0.149 31.740 31.823 0.111 0.000 1.505 712 V HN 0.686 nan 8.190 nan 0.000 0.574 713 E N -0.139 120.045 120.200 -0.027 0.000 2.228 713 E HA -0.066 4.286 4.350 0.004 0.000 0.170 713 E C 0.759 177.377 176.600 0.030 0.000 0.895 713 E CA 0.807 57.234 56.400 0.045 0.000 1.342 713 E CB 0.526 30.269 29.700 0.073 0.000 2.091 713 E HN 0.559 nan 8.360 nan 0.000 0.754 714 D N 0.390 120.656 120.400 -0.223 0.000 2.628 714 D HA 0.067 4.709 4.640 0.004 0.000 0.258 714 D C 0.832 177.047 176.300 -0.142 0.000 1.165 714 D CA 0.065 53.857 54.000 -0.346 0.000 0.991 714 D CB 0.183 40.503 40.800 -0.800 0.000 1.104 714 D HN 0.093 nan 8.370 nan 0.000 0.438 715 L N 1.083 122.201 121.223 -0.175 0.000 2.417 715 L HA 0.293 4.636 4.340 0.004 0.000 0.268 715 L C 0.272 177.103 176.870 -0.066 0.000 1.158 715 L CA 0.631 55.391 54.840 -0.134 0.000 0.819 715 L CB 0.345 42.332 42.059 -0.119 0.000 1.112 715 L HN 0.624 nan 8.230 nan 0.000 0.458 716 S N 2.997 118.657 115.700 -0.066 0.000 3.654 716 S HA -0.305 4.168 4.470 0.004 0.000 0.640 716 S C 0.755 175.393 174.600 0.065 0.000 2.223 716 S CA 2.238 60.432 58.200 -0.010 0.000 2.391 716 S CB -0.649 62.557 63.200 0.010 0.000 0.328 716 S HN 1.383 nan 8.310 nan 0.000 1.790 717 Q N -0.250 119.617 119.800 0.111 0.000 1.910 717 Q HA -0.254 4.089 4.340 0.004 0.000 0.230 717 Q C 0.972 177.292 176.000 0.534 0.000 2.776 717 Q CA 3.546 59.485 55.803 0.227 0.000 0.431 717 Q CB -1.742 27.079 28.738 0.139 0.000 0.683 717 Q HN 0.764 nan 8.270 nan 0.000 0.511 718 W N -2.389 118.902 121.300 -0.016 0.000 4.339 718 W HA 0.089 4.752 4.660 0.005 0.000 0.547 718 W C 1.875 178.415 176.519 0.035 0.000 3.316 718 W CA 0.028 57.372 57.345 -0.001 0.000 1.224 718 W CB -0.912 28.568 29.460 0.033 0.000 2.202 718 W HN 0.342 nan 8.180 nan 0.000 0.395 719 Y N 1.664 122.054 120.300 0.150 0.000 2.073 719 Y HA -0.348 4.204 4.550 0.004 0.000 0.270 719 Y C 1.898 177.691 175.900 -0.179 0.000 1.226 719 Y CA 2.542 60.644 58.100 0.003 0.000 1.117 719 Y CB -0.944 37.591 38.460 0.126 0.000 0.939 719 Y HN -0.237 nan 8.280 nan 0.000 0.504 720 V N 1.332 121.247 119.914 0.001 0.000 3.590 720 V HA -0.097 4.025 4.120 0.004 0.000 0.272 720 V C 0.557 176.423 176.094 -0.379 0.000 1.233 720 V CA 0.956 63.077 62.300 -0.298 0.000 1.182 720 V CB -0.743 30.836 31.823 -0.407 0.000 0.901 720 V HN 0.202 nan 8.190 nan 0.000 0.485 721 R N 0.868 121.186 120.500 -0.303 0.000 2.983 721 R HA 0.418 4.760 4.340 0.004 0.000 0.300 721 R C 0.857 176.920 176.300 -0.395 0.000 1.367 721 R CA -0.057 55.856 56.100 -0.310 0.000 1.564 721 R CB 0.362 30.527 30.300 -0.225 0.000 1.314 721 R HN 0.364 nan 8.270 nan 0.000 0.622 722 R N -0.547 119.724 120.500 -0.381 0.000 1.769 722 R HA -0.042 4.300 4.340 0.004 0.000 0.030 722 R C 0.615 176.752 176.300 -0.272 0.000 0.820 722 R CA 0.089 55.971 56.100 -0.362 0.000 3.450 722 R CB -0.404 29.601 30.300 -0.491 0.000 0.830 722 R HN 0.198 nan 8.270 nan 0.000 0.571 723 N N 1.836 120.323 118.700 -0.356 0.000 2.061 723 N HA -0.148 4.594 4.740 0.004 0.000 0.193 723 N C 1.571 177.036 175.510 -0.075 0.000 1.030 723 N CA 1.941 54.791 53.050 -0.333 0.000 0.856 723 N CB -0.115 37.990 38.487 -0.637 0.000 1.023 723 N HN 0.303 nan 8.380 nan 0.000 0.424 724 R N 0.528 120.934 120.500 -0.156 0.000 2.119 724 R HA -0.137 4.206 4.340 0.004 0.000 0.246 724 R C 2.483 178.776 176.300 -0.012 0.000 1.146 724 R CA 1.637 57.737 56.100 0.000 0.000 0.962 724 R CB -0.183 29.922 30.300 -0.326 0.000 0.863 724 R HN 0.267 nan 8.270 nan 0.000 0.442 725 R N 0.417 120.880 120.500 -0.062 0.000 2.092 725 R HA -0.098 4.244 4.340 0.004 0.000 0.226 725 R C 2.236 178.663 176.300 0.212 0.000 1.140 725 R CA 1.747 57.853 56.100 0.009 0.000 0.910 725 R CB -0.116 30.150 30.300 -0.056 0.000 0.822 725 R HN 0.126 nan 8.270 nan 0.000 0.433 726 R N -0.705 119.941 120.500 0.243 0.000 2.211 726 R HA -0.161 4.182 4.340 0.004 0.000 0.240 726 R C 1.970 178.495 176.300 0.374 0.000 1.144 726 R CA 1.351 57.618 56.100 0.280 0.000 0.992 726 R CB -0.204 30.241 30.300 0.242 0.000 0.869 726 R HN 0.242 nan 8.270 nan 0.000 0.462 727 F N -1.670 118.442 119.950 0.271 0.000 2.274 727 F HA 0.008 4.537 4.527 0.004 0.000 0.288 727 F C 1.838 177.983 175.800 0.575 0.000 1.069 727 F CA -0.170 58.056 58.000 0.376 0.000 1.343 727 F CB -0.902 38.198 39.000 0.167 0.000 1.089 727 F HN -0.086 nan 8.300 nan 0.000 0.517 728 W N 1.789 123.416 121.300 0.544 0.000 2.279 728 W HA -0.259 4.403 4.660 0.004 0.000 0.298 728 W C 1.953 178.584 176.519 0.188 0.000 1.228 728 W CA 2.533 60.143 57.345 0.442 0.000 1.230 728 W CB -0.188 29.460 29.460 0.314 0.000 1.138 728 W HN 0.082 nan 8.180 nan 0.000 0.532 729 K N -2.824 117.799 120.400 0.373 0.000 2.434 729 K HA -0.008 4.315 4.320 0.004 0.000 0.170 729 K C 0.057 176.741 176.600 0.140 0.000 1.738 729 K CA 0.154 56.552 56.287 0.186 0.000 1.027 729 K CB -1.568 31.027 32.500 0.159 0.000 1.595 729 K HN 0.111 nan 8.250 nan 0.000 0.546 730 N N 2.351 121.153 118.700 0.170 0.000 2.585 730 N HA -0.032 4.711 4.740 0.004 0.000 0.213 730 N C -0.303 175.244 175.510 0.061 0.000 1.385 730 N CA 0.028 53.143 53.050 0.108 0.000 0.871 730 N CB 0.177 38.733 38.487 0.115 0.000 1.154 730 N HN 0.164 nan 8.380 nan 0.000 0.474 731 E N 0.965 121.186 120.200 0.035 0.000 2.330 731 E HA -0.051 4.301 4.350 0.004 0.000 0.210 731 E C 0.080 176.673 176.600 -0.011 0.000 1.256 731 E CA 0.341 56.734 56.400 -0.012 0.000 1.346 731 E CB 0.033 29.703 29.700 -0.050 0.000 1.308 731 E HN 0.619 nan 8.360 nan 0.000 0.441 732 D N -1.520 118.884 120.400 0.007 0.000 2.470 732 D HA 0.064 4.707 4.640 0.004 0.000 0.238 732 D C 1.452 177.756 176.300 0.006 0.000 1.054 732 D CA 0.223 54.227 54.000 0.005 0.000 0.896 732 D CB -0.007 40.802 40.800 0.015 0.000 1.118 732 D HN 0.063 nan 8.370 nan 0.000 0.497 733 A N 0.609 123.437 122.820 0.013 0.000 2.267 733 A HA 0.308 4.631 4.320 0.004 0.000 0.213 733 A C 1.158 178.748 177.584 0.009 0.000 1.192 733 A CA -0.273 51.772 52.037 0.014 0.000 0.851 733 A CB -0.644 18.371 19.000 0.024 0.000 0.881 733 A HN 0.214 nan 8.150 nan 0.000 0.494 734 L N -0.279 120.943 121.223 -0.001 0.000 4.204 734 L HA -0.331 4.012 4.340 0.004 0.000 0.486 734 L C 0.201 177.070 176.870 -0.002 0.000 1.072 734 L CA 1.016 55.847 54.840 -0.014 0.000 0.798 734 L CB -1.164 40.879 42.059 -0.027 0.000 1.766 734 L HN 0.405 nan 8.230 nan 0.000 0.877 735 D N -2.142 118.267 120.400 0.015 0.000 2.153 735 D HA 0.073 4.715 4.640 0.004 0.000 0.388 735 D C 0.677 177.006 176.300 0.048 0.000 1.014 735 D CA -0.199 53.821 54.000 0.033 0.000 0.906 735 D CB 0.378 41.198 40.800 0.033 0.000 1.552 735 D HN -0.024 nan 8.370 nan 0.000 0.522 736 R N 1.526 122.051 120.500 0.040 0.000 4.518 736 R HA 0.311 4.653 4.340 0.004 0.000 0.243 736 R C 0.402 176.725 176.300 0.037 0.000 1.720 736 R CA 0.208 56.338 56.100 0.050 0.000 1.526 736 R CB -0.318 30.016 30.300 0.056 0.000 1.425 736 R HN 0.403 nan 8.270 nan 0.000 0.787 737 E N -2.049 118.179 120.200 0.047 0.000 2.552 737 E HA 0.116 4.468 4.350 0.004 0.000 0.189 737 E C 0.826 177.500 176.600 0.123 0.000 0.970 737 E CA 0.441 56.883 56.400 0.070 0.000 1.571 737 E CB -0.495 29.175 29.700 -0.050 0.000 2.223 737 E HN 0.013 nan 8.360 nan 0.000 1.018 738 A N 1.346 124.228 122.820 0.103 0.000 2.119 738 A HA 0.399 4.721 4.320 0.004 0.000 0.217 738 A C 2.352 180.061 177.584 0.208 0.000 1.153 738 A CA 1.350 53.470 52.037 0.138 0.000 0.692 738 A CB -0.621 18.447 19.000 0.114 0.000 0.799 738 A HN 0.480 nan 8.150 nan 0.000 0.458 739 A N -1.047 121.885 122.820 0.186 0.000 1.933 739 A HA -0.081 4.242 4.320 0.004 0.000 0.218 739 A C 1.984 179.813 177.584 0.409 0.000 1.175 739 A CA 1.446 53.679 52.037 0.327 0.000 0.628 739 A CB -0.761 18.396 19.000 0.262 0.000 0.814 739 A HN 0.553 nan 8.150 nan 0.000 0.444 740 Y N 0.071 120.385 120.300 0.023 0.000 2.128 740 Y HA -0.187 4.365 4.550 0.004 0.000 0.284 740 Y C 2.935 179.130 175.900 0.492 0.000 1.154 740 Y CA 1.235 59.515 58.100 0.300 0.000 1.149 740 Y CB -0.600 37.884 38.460 0.040 0.000 0.976 740 Y HN 0.345 nan 8.280 nan 0.000 0.505 741 A N -0.081 123.007 122.820 0.446 0.000 1.851 741 A HA -0.266 4.057 4.320 0.004 0.000 0.216 741 A C 2.407 180.183 177.584 0.319 0.000 1.195 741 A CA 2.900 55.150 52.037 0.354 0.000 0.622 741 A CB -1.548 17.587 19.000 0.225 0.000 0.831 741 A HN 0.529 nan 8.150 nan 0.000 0.444 742 T N -1.588 113.121 114.554 0.258 0.000 2.684 742 T HA -0.189 4.164 4.350 0.004 0.000 0.267 742 T C 1.804 176.534 174.700 0.050 0.000 1.036 742 T CA 1.669 63.851 62.100 0.137 0.000 1.148 742 T CB -0.660 68.288 68.868 0.133 0.000 0.863 742 T HN 0.259 nan 8.240 nan 0.000 0.436 743 L N -0.146 121.170 121.223 0.155 0.000 2.131 743 L HA 0.034 4.377 4.340 0.004 0.000 0.210 743 L C 2.374 179.180 176.870 -0.108 0.000 1.092 743 L CA 1.526 56.383 54.840 0.027 0.000 0.759 743 L CB -0.845 41.389 42.059 0.291 0.000 0.903 743 L HN 0.422 nan 8.230 nan 0.000 0.435 744 Y N 0.503 120.719 120.300 -0.140 0.000 2.184 744 Y HA -0.192 4.360 4.550 0.004 0.000 0.290 744 Y C 2.332 178.089 175.900 -0.239 0.000 1.129 744 Y CA 2.000 59.848 58.100 -0.421 0.000 1.144 744 Y CB -0.247 38.234 38.460 0.035 0.000 0.995 744 Y HN 0.322 nan 8.280 nan 0.000 0.513 745 E N 0.117 120.274 120.200 -0.071 0.000 2.160 745 E HA -0.203 4.150 4.350 0.004 0.000 0.195 745 E C 2.256 178.730 176.600 -0.209 0.000 0.991 745 E CA 1.028 57.341 56.400 -0.145 0.000 0.810 745 E CB -0.261 29.443 29.700 0.008 0.000 0.742 745 E HN 0.591 nan 8.360 nan 0.000 0.466 746 A N 0.894 123.605 122.820 -0.182 0.000 1.855 746 A HA -0.086 4.237 4.320 0.004 0.000 0.213 746 A C 2.159 179.662 177.584 -0.136 0.000 1.195 746 A CA 0.727 52.694 52.037 -0.116 0.000 0.610 746 A CB -0.592 18.372 19.000 -0.059 0.000 0.837 746 A HN 0.109 nan 8.150 nan 0.000 0.444 747 L N -0.332 120.746 121.223 -0.242 0.000 2.081 747 L HA -0.202 4.141 4.340 0.004 0.000 0.212 747 L C 2.511 179.216 176.870 -0.274 0.000 1.080 747 L CA 1.179 55.862 54.840 -0.261 0.000 0.754 747 L CB -0.513 41.316 42.059 -0.383 0.000 0.893 747 L HN 0.246 nan 8.230 nan 0.000 0.433 748 V N -0.522 119.162 119.914 -0.384 0.000 2.358 748 V HA -0.278 3.845 4.120 0.004 0.000 0.246 748 V C 2.323 178.308 176.094 -0.182 0.000 1.047 748 V CA 1.595 63.699 62.300 -0.326 0.000 1.035 748 V CB -0.345 31.188 31.823 -0.484 0.000 0.658 748 V HN 0.306 nan 8.190 nan 0.000 0.452 749 L N 0.014 121.120 121.223 -0.196 0.000 1.989 749 L HA -0.141 4.202 4.340 0.004 0.000 0.211 749 L C 2.403 179.174 176.870 -0.165 0.000 1.071 749 L CA 1.973 56.696 54.840 -0.196 0.000 0.749 749 L CB -0.680 41.236 42.059 -0.238 0.000 0.890 749 L HN 0.136 nan 8.230 nan 0.000 0.431 750 V N 0.277 120.124 119.914 -0.111 0.000 2.231 750 V HA -0.386 3.737 4.120 0.004 0.000 0.248 750 V C 2.819 178.879 176.094 -0.057 0.000 1.054 750 V CA 2.028 64.299 62.300 -0.049 0.000 1.015 750 V CB -1.600 30.236 31.823 0.022 0.000 0.638 750 V HN 0.650 nan 8.190 nan 0.000 0.444 751 A N -0.398 122.377 122.820 -0.074 0.000 1.892 751 A HA -0.281 4.041 4.320 0.004 0.000 0.218 751 A C 2.386 179.965 177.584 -0.008 0.000 1.188 751 A CA 2.834 54.848 52.037 -0.038 0.000 0.631 751 A CB -1.112 17.879 19.000 -0.014 0.000 0.822 751 A HN 0.549 nan 8.150 nan 0.000 0.447 752 T N 0.384 114.924 114.554 -0.024 0.000 2.737 752 T HA -0.067 4.286 4.350 0.004 0.000 0.265 752 T C 1.824 176.482 174.700 -0.071 0.000 1.038 752 T CA 1.391 63.451 62.100 -0.067 0.000 1.144 752 T CB -0.398 68.411 68.868 -0.097 0.000 0.866 752 T HN 0.359 nan 8.240 nan 0.000 0.434 753 L N 0.772 121.921 121.223 -0.122 0.000 2.079 753 L HA -0.113 4.229 4.340 0.004 0.000 0.210 753 L C 2.913 179.940 176.870 0.261 0.000 1.081 753 L CA 1.196 56.017 54.840 -0.031 0.000 0.752 753 L CB -0.595 41.408 42.059 -0.094 0.000 0.896 753 L HN 0.268 nan 8.230 nan 0.000 0.433 754 A N -0.351 122.565 122.820 0.159 0.000 2.119 754 A HA 0.006 4.328 4.320 0.004 0.000 0.217 754 A C 2.530 180.296 177.584 0.304 0.000 1.153 754 A CA 1.098 53.282 52.037 0.246 0.000 0.692 754 A CB -0.421 18.638 19.000 0.098 0.000 0.799 754 A HN 0.384 nan 8.150 nan 0.000 0.458 755 A N 1.066 124.006 122.820 0.200 0.000 1.915 755 A HA -0.173 4.150 4.320 0.004 0.000 0.220 755 A C 0.218 177.918 177.584 0.193 0.000 1.198 755 A CA 2.273 54.414 52.037 0.172 0.000 0.647 755 A CB -1.718 17.316 19.000 0.057 0.000 0.825 755 A HN 0.483 nan 8.150 nan 0.000 0.456 756 P HA -0.039 nan 4.420 nan 0.000 0.217 756 P C 0.949 178.081 177.300 -0.279 0.000 1.151 756 P CA 0.897 63.888 63.100 -0.181 0.000 0.828 756 P CB -0.117 31.376 31.700 -0.344 0.000 0.788 757 F N -0.199 119.716 119.950 -0.058 0.000 2.094 757 F HA 0.006 4.535 4.527 0.004 0.000 0.291 757 F C 1.229 177.187 175.800 0.264 0.000 1.109 757 F CA 1.270 59.291 58.000 0.034 0.000 1.221 757 F CB -1.704 37.401 39.000 0.176 0.000 1.014 757 F HN -0.203 nan 8.300 nan 0.000 0.473 758 T N -1.182 113.641 114.554 0.449 0.000 3.253 758 T HA 0.260 4.612 4.350 0.004 0.000 0.391 758 T C -2.051 172.763 174.700 0.189 0.000 1.527 758 T CA -1.917 60.375 62.100 0.320 0.000 1.268 758 T CB 0.923 69.930 68.868 0.231 0.000 1.126 758 T HN -0.048 nan 8.240 nan 0.000 0.620 759 P HA -0.034 nan 4.420 nan 0.000 0.231 759 P C 0.371 177.785 177.300 0.190 0.000 1.158 759 P CA 0.473 63.609 63.100 0.060 0.000 0.763 759 P CB -0.056 31.360 31.700 -0.474 0.000 0.805 760 F N -0.746 119.401 119.950 0.328 0.000 2.289 760 F HA 0.092 4.621 4.527 0.004 0.000 0.280 760 F C 2.445 178.324 175.800 0.131 0.000 1.045 760 F CA 0.102 58.222 58.000 0.201 0.000 1.236 760 F CB -1.566 37.495 39.000 0.102 0.000 1.116 760 F HN -0.263 nan 8.300 nan 0.000 0.550 761 L N 1.109 122.495 121.223 0.272 0.000 1.997 761 L HA -0.244 4.099 4.340 0.004 0.000 0.216 761 L C 2.442 179.354 176.870 0.070 0.000 1.074 761 L CA 2.225 57.119 54.840 0.090 0.000 0.763 761 L CB -1.273 40.688 42.059 -0.163 0.000 0.890 761 L HN 0.156 nan 8.230 nan 0.000 0.434 762 A N -1.181 121.679 122.820 0.066 0.000 1.948 762 A HA -0.313 4.010 4.320 0.004 0.000 0.220 762 A C 2.260 179.891 177.584 0.078 0.000 1.177 762 A CA 2.048 54.110 52.037 0.041 0.000 0.636 762 A CB -0.754 18.271 19.000 0.042 0.000 0.815 762 A HN 0.596 nan 8.150 nan 0.000 0.449 763 E N -0.124 120.162 120.200 0.143 0.000 2.072 763 E HA -0.122 4.231 4.350 0.004 0.000 0.191 763 E C 1.998 178.721 176.600 0.205 0.000 0.985 763 E CA 1.684 58.205 56.400 0.203 0.000 0.801 763 E CB -0.405 29.512 29.700 0.360 0.000 0.750 763 E HN 0.562 nan 8.360 nan 0.000 0.452 764 V N -0.527 119.488 119.914 0.169 0.000 2.307 764 V HA -0.207 3.915 4.120 0.004 0.000 0.245 764 V C 2.233 178.377 176.094 0.084 0.000 1.045 764 V CA 1.682 64.070 62.300 0.147 0.000 1.024 764 V CB -0.771 31.183 31.823 0.219 0.000 0.651 764 V HN 0.268 nan 8.190 nan 0.000 0.449 765 L N -0.987 120.223 121.223 -0.021 0.000 2.043 765 L HA -0.193 4.150 4.340 0.004 0.000 0.212 765 L C 2.664 179.557 176.870 0.038 0.000 1.075 765 L CA 2.830 57.564 54.840 -0.177 0.000 0.752 765 L CB -0.943 40.957 42.059 -0.265 0.000 0.891 765 L HN 0.722 nan 8.230 nan 0.000 0.432 766 W N 1.016 122.276 121.300 -0.067 0.000 2.518 766 W HA -0.159 4.504 4.660 0.004 0.000 0.273 766 W C 2.238 178.773 176.519 0.027 0.000 1.247 766 W CA 0.814 58.145 57.345 -0.024 0.000 1.288 766 W CB -0.054 29.397 29.460 -0.016 0.000 1.107 766 W HN 0.227 nan 8.180 nan 0.000 0.586 767 Q N 1.100 121.087 119.800 0.312 0.000 2.124 767 Q HA -0.167 4.176 4.340 0.004 0.000 0.202 767 Q C 1.835 177.883 176.000 0.080 0.000 0.977 767 Q CA 1.843 57.752 55.803 0.176 0.000 0.850 767 Q CB -0.595 28.180 28.738 0.063 0.000 0.901 767 Q HN 0.253 nan 8.270 nan 0.000 0.429 768 N N -1.055 117.709 118.700 0.106 0.000 2.400 768 N HA -0.046 4.696 4.740 0.004 0.000 0.228 768 N C 1.369 176.991 175.510 0.187 0.000 1.023 768 N CA 0.493 53.639 53.050 0.160 0.000 1.150 768 N CB -0.660 37.953 38.487 0.210 0.000 1.452 768 N HN 0.160 nan 8.380 nan 0.000 0.605 769 L N 0.722 122.022 121.223 0.128 0.000 2.198 769 L HA -0.193 4.149 4.340 0.004 0.000 0.218 769 L C 2.071 179.086 176.870 0.242 0.000 1.084 769 L CA 1.325 56.215 54.840 0.082 0.000 0.779 769 L CB -0.537 41.467 42.059 -0.092 0.000 0.890 769 L HN 0.183 nan 8.230 nan 0.000 0.439 770 V N -2.042 117.840 119.914 -0.054 0.000 2.599 770 V HA -0.002 4.120 4.120 0.004 0.000 0.237 770 V C 2.301 178.284 176.094 -0.186 0.000 1.081 770 V CA 0.546 62.693 62.300 -0.256 0.000 1.107 770 V CB -0.283 30.932 31.823 -1.014 0.000 0.808 770 V HN 0.245 nan 8.190 nan 0.000 0.486 771 R N 0.596 120.961 120.500 -0.225 0.000 2.241 771 R HA -0.073 4.269 4.340 0.004 0.000 0.224 771 R C 2.270 178.577 176.300 0.012 0.000 1.101 771 R CA 1.335 57.386 56.100 -0.083 0.000 0.995 771 R CB -0.422 29.866 30.300 -0.020 0.000 0.870 771 R HN 0.496 nan 8.270 nan 0.000 0.463 772 S N 0.218 115.967 115.700 0.082 0.000 2.348 772 S HA -0.050 4.423 4.470 0.004 0.000 0.219 772 S C 2.163 176.765 174.600 0.004 0.000 1.033 772 S CA 0.919 59.165 58.200 0.077 0.000 0.974 772 S CB -0.149 63.178 63.200 0.212 0.000 0.868 772 S HN 0.020 nan 8.310 nan 0.000 0.459 773 V N 1.859 121.808 119.914 0.058 0.000 2.221 773 V HA -0.036 4.086 4.120 0.004 0.000 0.240 773 V C 0.658 176.745 176.094 -0.012 0.000 1.041 773 V CA 1.366 63.660 62.300 -0.010 0.000 0.991 773 V CB -0.575 31.281 31.823 0.056 0.000 0.634 773 V HN 0.277 nan 8.190 nan 0.000 0.450 774 R N 2.069 122.574 120.500 0.008 0.000 2.870 774 R HA 0.289 4.632 4.340 0.004 0.000 0.254 774 R C 0.973 177.265 176.300 -0.013 0.000 1.392 774 R CA -0.002 56.094 56.100 -0.007 0.000 1.322 774 R CB -0.596 29.701 30.300 -0.006 0.000 1.205 774 R HN 0.586 nan 8.270 nan 0.000 0.597 775 L N -0.616 120.605 121.223 -0.003 0.000 2.642 775 L HA 0.004 4.347 4.340 0.004 0.000 0.236 775 L C 0.840 177.730 176.870 0.034 0.000 1.169 775 L CA 1.097 55.944 54.840 0.012 0.000 0.851 775 L CB -0.130 41.935 42.059 0.009 0.000 0.968 775 L HN 0.391 nan 8.230 nan 0.000 0.453 776 E N 1.047 121.267 120.200 0.034 0.000 2.501 776 E HA 0.283 4.635 4.350 0.004 0.000 0.201 776 E C 0.606 177.253 176.600 0.077 0.000 1.016 776 E CA 0.146 56.578 56.400 0.053 0.000 0.920 776 E CB 0.114 29.838 29.700 0.041 0.000 1.023 776 E HN 0.446 nan 8.360 nan 0.000 0.474 777 A N 1.813 124.680 122.820 0.077 0.000 2.296 777 A HA 0.307 4.630 4.320 0.004 0.000 0.264 777 A C 0.323 178.056 177.584 0.249 0.000 1.097 777 A CA -0.544 51.573 52.037 0.133 0.000 0.811 777 A CB 0.390 19.408 19.000 0.030 0.000 1.072 777 A HN 0.023 nan 8.150 nan 0.000 0.495 778 K N 0.980 121.603 120.400 0.372 0.000 2.527 778 K HA -0.028 4.294 4.320 0.004 0.000 0.278 778 K C 0.935 177.841 176.600 0.510 0.000 0.981 778 K CA 0.412 56.926 56.287 0.378 0.000 1.009 778 K CB 0.246 32.942 32.500 0.327 0.000 0.895 778 K HN 0.777 nan 8.250 nan 0.000 0.493 779 E N 0.445 120.879 120.200 0.390 0.000 2.204 779 E HA -0.127 4.226 4.350 0.004 0.000 0.195 779 E C 0.565 177.541 176.600 0.625 0.000 0.990 779 E CA 0.852 57.542 56.400 0.484 0.000 0.821 779 E CB 0.184 30.136 29.700 0.419 0.000 0.750 779 E HN 0.449 nan 8.360 nan 0.000 0.477 780 S N -1.118 114.812 115.700 0.383 0.000 2.599 780 S HA 0.242 4.714 4.470 0.004 0.000 0.294 780 S C 0.913 175.078 174.600 -0.725 0.000 1.094 780 S CA -0.813 57.457 58.200 0.117 0.000 0.931 780 S CB 1.905 65.283 63.200 0.298 0.000 1.093 780 S HN -0.074 nan 8.310 nan 0.000 0.488 781 V N 2.702 121.886 119.914 -1.217 0.000 2.427 781 V HA -0.096 4.027 4.120 0.004 0.000 0.248 781 V C 1.703 177.320 176.094 -0.795 0.000 1.051 781 V CA 1.909 63.284 62.300 -1.542 0.000 1.048 781 V CB -1.446 29.801 31.823 -0.961 0.000 0.666 781 V HN 0.966 nan 8.190 nan 0.000 0.456 782 H N -0.387 118.543 119.070 -0.233 0.000 2.568 782 H HA 0.088 4.647 4.556 0.004 0.000 0.281 782 H C 1.743 177.039 175.328 -0.052 0.000 1.028 782 H CA 0.668 56.665 56.048 -0.085 0.000 1.199 782 H CB -0.084 29.712 29.762 0.056 0.000 1.352 782 H HN 0.324 nan 8.280 nan 0.000 0.605 783 L N -0.387 120.793 121.223 -0.072 0.000 2.664 783 L HA 0.318 4.661 4.340 0.004 0.000 0.233 783 L C 1.269 178.114 176.870 -0.040 0.000 1.113 783 L CA -0.395 54.438 54.840 -0.012 0.000 0.896 783 L CB 0.209 42.290 42.059 0.037 0.000 1.163 783 L HN 0.221 nan 8.230 nan 0.000 0.497 784 A N -0.126 122.601 122.820 -0.155 0.000 2.251 784 A HA 0.287 4.609 4.320 0.004 0.000 0.278 784 A C -0.632 176.944 177.584 -0.014 0.000 1.206 784 A CA -0.135 51.845 52.037 -0.095 0.000 0.822 784 A CB 0.235 19.084 19.000 -0.252 0.000 1.187 784 A HN 0.087 nan 8.150 nan 0.000 0.504 785 D N -0.770 119.643 120.400 0.020 0.000 2.252 785 D HA 0.248 4.890 4.640 0.004 0.000 0.245 785 D C -0.546 175.797 176.300 0.071 0.000 1.009 785 D CA -0.143 53.886 54.000 0.048 0.000 0.870 785 D CB 0.725 41.549 40.800 0.040 0.000 1.251 785 D HN 0.573 nan 8.370 nan 0.000 0.460 786 W N 4.130 125.375 121.300 -0.092 0.000 2.308 786 W HA 0.153 4.816 4.660 0.004 0.000 0.324 786 W C -2.181 174.311 176.519 -0.046 0.000 1.387 786 W CA -1.342 55.950 57.345 -0.088 0.000 1.250 786 W CB 0.569 29.932 29.460 -0.162 0.000 1.257 786 W HN 0.206 nan 8.180 nan 0.000 0.554 787 P HA 0.043 nan 4.420 nan 0.000 0.271 787 P C -0.463 176.662 177.300 -0.291 0.000 1.216 787 P CA 0.598 63.457 63.100 -0.402 0.000 0.771 787 P CB 1.330 32.736 31.700 -0.490 0.000 0.864 788 E N 0.728 120.864 120.200 -0.108 0.000 2.259 788 E HA 0.627 4.980 4.350 0.004 0.000 0.257 788 E C -0.297 176.268 176.600 -0.060 0.000 0.998 788 E CA -1.008 55.378 56.400 -0.023 0.000 0.866 788 E CB 1.728 31.439 29.700 0.017 0.000 1.220 788 E HN 0.502 nan 8.360 nan 0.000 0.415 789 A N 0.668 123.469 122.820 -0.032 0.000 2.312 789 A HA 0.328 4.650 4.320 0.004 0.000 0.328 789 A C -0.572 176.994 177.584 -0.031 0.000 1.158 789 A CA -0.531 51.477 52.037 -0.048 0.000 0.821 789 A CB 0.688 19.662 19.000 -0.043 0.000 1.170 789 A HN 0.427 nan 8.150 nan 0.000 0.490 790 D N 2.383 122.761 120.400 -0.037 0.000 2.313 790 D HA 0.338 4.981 4.640 0.004 0.000 0.239 790 D C -1.276 175.014 176.300 -0.016 0.000 1.142 790 D CA -1.925 52.062 54.000 -0.022 0.000 0.847 790 D CB 1.277 42.064 40.800 -0.023 0.000 1.082 790 D HN 0.187 nan 8.370 nan 0.000 0.480 791 P HA -0.192 nan 4.420 nan 0.000 0.218 791 P C 1.021 178.323 177.300 0.002 0.000 1.148 791 P CA 0.916 64.016 63.100 -0.000 0.000 0.822 791 P CB 0.233 31.936 31.700 0.004 0.000 0.784 792 A N 1.035 123.856 122.820 0.002 0.000 1.865 792 A HA -0.152 4.170 4.320 0.004 0.000 0.217 792 A C 2.314 179.901 177.584 0.006 0.000 1.191 792 A CA 1.669 53.710 52.037 0.006 0.000 0.623 792 A CB -1.578 17.426 19.000 0.006 0.000 0.826 792 A HN 0.187 nan 8.150 nan 0.000 0.444 793 L N -0.445 120.776 121.223 -0.004 0.000 2.610 793 L HA 0.153 4.495 4.340 0.004 0.000 0.232 793 L C 1.160 178.023 176.870 -0.013 0.000 1.149 793 L CA 0.055 54.890 54.840 -0.008 0.000 0.872 793 L CB -0.764 41.280 42.059 -0.025 0.000 0.992 793 L HN 0.363 nan 8.230 nan 0.000 0.447 794 A N 0.652 123.468 122.820 -0.007 0.000 2.350 794 A HA 0.197 4.519 4.320 0.004 0.000 0.293 794 A C -0.198 177.397 177.584 0.017 0.000 1.231 794 A CA -0.081 51.954 52.037 -0.004 0.000 0.883 794 A CB 0.014 19.012 19.000 -0.003 0.000 1.133 794 A HN 0.122 nan 8.150 nan 0.000 0.533 795 D N 2.622 123.039 120.400 0.028 0.000 2.513 795 D HA 0.100 4.743 4.640 0.004 0.000 0.295 795 D C 0.962 177.307 176.300 0.074 0.000 1.202 795 D CA -0.248 53.787 54.000 0.057 0.000 0.849 795 D CB 0.330 41.179 40.800 0.081 0.000 1.116 795 D HN 0.764 nan 8.370 nan 0.000 0.502 796 E N 1.597 121.831 120.200 0.056 0.000 2.065 796 E HA -0.300 4.053 4.350 0.004 0.000 0.201 796 E C 1.738 178.387 176.600 0.080 0.000 1.016 796 E CA 1.841 58.278 56.400 0.061 0.000 0.818 796 E CB 0.197 29.923 29.700 0.043 0.000 0.749 796 E HN 0.398 nan 8.360 nan 0.000 0.453 797 A N 0.984 123.846 122.820 0.071 0.000 1.884 797 A HA -0.247 4.075 4.320 0.004 0.000 0.219 797 A C 2.224 179.867 177.584 0.099 0.000 1.197 797 A CA 1.897 53.977 52.037 0.072 0.000 0.637 797 A CB -1.028 18.008 19.000 0.060 0.000 0.827 797 A HN 0.449 nan 8.150 nan 0.000 0.450 798 L N 0.145 121.446 121.223 0.129 0.000 1.989 798 L HA -0.149 4.194 4.340 0.004 0.000 0.211 798 L C 2.390 179.428 176.870 0.281 0.000 1.071 798 L CA 2.427 57.384 54.840 0.195 0.000 0.749 798 L CB -0.767 41.431 42.059 0.233 0.000 0.890 798 L HN 0.175 nan 8.230 nan 0.000 0.431 799 V N 0.390 120.485 119.914 0.303 0.000 2.392 799 V HA -0.315 3.807 4.120 0.004 0.000 0.249 799 V C 2.819 179.058 176.094 0.242 0.000 1.059 799 V CA 1.613 64.138 62.300 0.374 0.000 1.051 799 V CB -1.736 30.218 31.823 0.219 0.000 0.658 799 V HN 0.656 nan 8.190 nan 0.000 0.455 800 A N -0.416 122.492 122.820 0.145 0.000 1.845 800 A HA -0.280 4.043 4.320 0.004 0.000 0.215 800 A C 2.217 179.834 177.584 0.056 0.000 1.195 800 A CA 1.995 54.083 52.037 0.086 0.000 0.616 800 A CB -0.551 18.487 19.000 0.064 0.000 0.832 800 A HN 0.602 nan 8.150 nan 0.000 0.443 801 Q N -1.693 118.140 119.800 0.055 0.000 2.045 801 Q HA -0.266 4.077 4.340 0.004 0.000 0.206 801 Q C 2.156 178.129 176.000 -0.045 0.000 0.991 801 Q CA 1.900 57.710 55.803 0.012 0.000 0.851 801 Q CB -0.358 28.395 28.738 0.025 0.000 0.911 801 Q HN 0.637 nan 8.270 nan 0.000 0.418 802 M N 0.805 120.367 119.600 -0.064 0.000 2.213 802 M HA -0.167 4.315 4.480 0.004 0.000 0.263 802 M C 1.996 178.162 176.300 -0.224 0.000 1.062 802 M CA 1.551 56.690 55.300 -0.269 0.000 1.105 802 M CB -0.168 32.037 32.600 -0.659 0.000 1.385 802 M HN 0.023 nan 8.290 nan 0.000 0.417 803 R N -0.333 120.141 120.500 -0.042 0.000 2.081 803 R HA -0.111 4.231 4.340 0.004 0.000 0.235 803 R C 1.984 178.225 176.300 -0.100 0.000 1.131 803 R CA 1.588 57.668 56.100 -0.033 0.000 0.960 803 R CB -0.464 29.862 30.300 0.044 0.000 0.856 803 R HN 0.449 nan 8.270 nan 0.000 0.436 804 A N 0.590 123.360 122.820 -0.083 0.000 1.858 804 A HA -0.117 4.205 4.320 0.004 0.000 0.216 804 A C 2.282 179.779 177.584 -0.145 0.000 1.190 804 A CA 1.734 53.720 52.037 -0.086 0.000 0.617 804 A CB -0.795 18.172 19.000 -0.056 0.000 0.827 804 A HN 0.215 nan 8.150 nan 0.000 0.443 805 V N 0.380 120.178 119.914 -0.193 0.000 2.231 805 V HA -0.370 3.753 4.120 0.004 0.000 0.250 805 V C 2.589 178.436 176.094 -0.412 0.000 1.058 805 V CA 2.379 64.516 62.300 -0.272 0.000 1.022 805 V CB -1.100 30.528 31.823 -0.325 0.000 0.640 805 V HN 0.603 nan 8.190 nan 0.000 0.445 806 L N -0.296 120.597 121.223 -0.551 0.000 2.089 806 L HA -0.295 4.048 4.340 0.004 0.000 0.213 806 L C 2.582 179.254 176.870 -0.329 0.000 1.079 806 L CA 2.317 56.801 54.840 -0.593 0.000 0.758 806 L CB -0.731 41.054 42.059 -0.456 0.000 0.891 806 L HN 0.388 nan 8.230 nan 0.000 0.433 807 K N 0.284 120.555 120.400 -0.215 0.000 1.985 807 K HA -0.161 4.161 4.320 0.004 0.000 0.210 807 K C 2.060 178.590 176.600 -0.117 0.000 1.047 807 K CA 1.817 58.027 56.287 -0.129 0.000 0.932 807 K CB -0.122 32.325 32.500 -0.089 0.000 0.716 807 K HN 0.066 nan 8.250 nan 0.000 0.439 808 V N 1.399 121.241 119.914 -0.119 0.000 2.250 808 V HA -0.304 3.818 4.120 0.004 0.000 0.250 808 V C 2.471 178.513 176.094 -0.087 0.000 1.060 808 V CA 2.001 64.249 62.300 -0.087 0.000 1.030 808 V CB -0.608 31.165 31.823 -0.082 0.000 0.643 808 V HN 0.217 nan 8.190 nan 0.000 0.445 809 V N 0.656 120.487 119.914 -0.138 0.000 2.313 809 V HA -0.366 3.756 4.120 0.004 0.000 0.253 809 V C 2.248 178.303 176.094 -0.065 0.000 1.070 809 V CA 2.425 64.656 62.300 -0.116 0.000 1.057 809 V CB -0.859 30.797 31.823 -0.278 0.000 0.653 809 V HN 0.656 nan 8.190 nan 0.000 0.450 810 D N 0.131 120.484 120.400 -0.079 0.000 2.083 810 D HA -0.111 4.531 4.640 0.004 0.000 0.199 810 D C 2.192 178.477 176.300 -0.024 0.000 0.980 810 D CA 1.374 55.349 54.000 -0.042 0.000 0.851 810 D CB -0.623 40.151 40.800 -0.044 0.000 0.997 810 D HN 0.348 nan 8.370 nan 0.000 0.449 811 L N 1.222 122.429 121.223 -0.028 0.000 1.976 811 L HA -0.292 4.051 4.340 0.004 0.000 0.223 811 L C 2.746 179.609 176.870 -0.012 0.000 1.081 811 L CA 1.840 56.670 54.840 -0.017 0.000 0.784 811 L CB -0.964 41.083 42.059 -0.021 0.000 0.896 811 L HN 0.003 nan 8.230 nan 0.000 0.438 812 A N 0.330 123.141 122.820 -0.015 0.000 1.842 812 A HA -0.215 4.107 4.320 0.004 0.000 0.217 812 A C 2.113 179.696 177.584 -0.000 0.000 1.206 812 A CA 1.766 53.799 52.037 -0.007 0.000 0.630 812 A CB -0.691 18.305 19.000 -0.008 0.000 0.839 812 A HN 0.410 nan 8.150 nan 0.000 0.447 813 R N -0.423 120.079 120.500 0.003 0.000 2.849 813 R HA 0.283 4.626 4.340 0.004 0.000 0.238 813 R C 0.860 177.166 176.300 0.010 0.000 1.403 813 R CA 0.377 56.484 56.100 0.011 0.000 1.303 813 R CB -0.299 30.016 30.300 0.025 0.000 1.191 813 R HN 0.523 nan 8.270 nan 0.000 0.533 814 A N -0.401 122.422 122.820 0.005 0.000 2.340 814 A HA 0.259 4.582 4.320 0.004 0.000 0.213 814 A C 1.759 179.346 177.584 0.006 0.000 1.299 814 A CA 0.184 52.225 52.037 0.006 0.000 0.994 814 A CB 0.419 19.420 19.000 0.003 0.000 1.132 814 A HN 0.289 nan 8.150 nan 0.000 0.519 815 A N 0.314 123.137 122.820 0.004 0.000 2.216 815 A HA 0.014 4.337 4.320 0.004 0.000 0.214 815 A C 1.348 178.935 177.584 0.005 0.000 1.160 815 A CA 0.268 52.307 52.037 0.004 0.000 0.725 815 A CB -0.487 18.514 19.000 0.002 0.000 0.784 815 A HN 0.395 nan 8.150 nan 0.000 0.472 816 R N 0.231 120.735 120.500 0.007 0.000 4.576 816 R HA 0.247 4.589 4.340 0.004 0.000 0.185 816 R C 1.235 177.540 176.300 0.008 0.000 1.837 816 R CA 0.221 56.326 56.100 0.007 0.000 1.520 816 R CB -0.174 30.131 30.300 0.008 0.000 1.403 816 R HN 0.461 nan 8.270 nan 0.000 0.831 817 A N 0.821 123.645 122.820 0.007 0.000 1.975 817 A HA 0.021 4.343 4.320 0.004 0.000 0.215 817 A C 0.785 178.374 177.584 0.008 0.000 1.170 817 A CA 0.990 53.032 52.037 0.008 0.000 0.656 817 A CB 0.321 19.326 19.000 0.007 0.000 0.821 817 A HN 0.140 nan 8.150 nan 0.000 0.449 818 K N 0.100 120.504 120.400 0.007 0.000 2.245 818 K HA 0.482 4.804 4.320 0.004 0.000 0.234 818 K C -0.457 176.147 176.600 0.007 0.000 1.021 818 K CA -0.526 55.765 56.287 0.007 0.000 0.898 818 K CB 1.002 33.505 32.500 0.006 0.000 1.163 818 K HN 0.088 nan 8.250 nan 0.000 0.459 819 S N 0.721 116.425 115.700 0.006 0.000 2.429 819 S HA 0.146 4.619 4.470 0.004 0.000 0.292 819 S C 0.990 175.593 174.600 0.005 0.000 1.183 819 S CA -0.309 57.894 58.200 0.006 0.000 1.088 819 S CB 0.124 63.328 63.200 0.006 0.000 1.018 819 S HN 0.731 nan 8.310 nan 0.000 0.511 820 G N 2.072 110.875 108.800 0.005 0.000 3.159 820 G HA2 0.439 4.401 3.960 0.004 0.000 0.232 820 G HA3 0.439 4.401 3.960 0.004 0.000 0.232 820 G C 0.105 175.007 174.900 0.003 0.000 1.116 820 G CA -0.028 45.074 45.100 0.004 0.000 0.767 820 G HN 0.582 nan 8.290 nan 0.000 0.547 821 V N 0.000 119.916 119.914 0.004 0.000 2.409 821 V HA 0.000 4.123 4.120 0.004 0.000 0.244 821 V CA 0.000 62.302 62.300 0.003 0.000 1.235 821 V CB 0.000 31.824 31.823 0.001 0.000 1.184 821 V HN 0.000 nan 8.190 nan 0.000 0.556