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 3ne6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINGLAGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF 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 0.000 176.346 176.300 0.076 0.000 1.140 1 M CA 0.000 55.335 55.300 0.058 0.000 0.988 1 M CB 0.000 32.651 32.600 0.085 0.000 1.302 2 K N 2.275 122.722 120.400 0.078 0.000 2.326 2 K HA 0.287 4.613 4.320 0.010 0.000 0.275 2 K C -0.281 176.496 176.600 0.296 0.000 1.018 2 K CA -0.072 56.274 56.287 0.099 0.000 0.962 2 K CB 0.730 33.218 32.500 -0.020 0.000 0.953 2 K HN 0.650 nan 8.250 nan 0.000 0.475 3 E N 1.754 122.166 120.200 0.353 0.000 2.390 3 E HA 0.175 4.531 4.350 0.010 0.000 0.261 3 E C -0.421 176.587 176.600 0.680 0.000 1.076 3 E CA 0.002 56.672 56.400 0.451 0.000 0.905 3 E CB 0.342 30.307 29.700 0.442 0.000 0.984 3 E HN 0.345 nan 8.360 nan 0.000 0.427 4 F N -0.662 119.489 119.950 0.335 0.000 2.608 4 F HA 0.371 4.904 4.527 0.010 0.000 0.309 4 F C -0.829 174.980 175.800 0.015 0.000 1.103 4 F CA -1.698 56.294 58.000 -0.013 0.000 0.954 4 F CB 0.305 39.139 39.000 -0.276 0.000 1.267 4 F HN 0.407 nan 8.300 nan 0.000 0.444 5 Y N 1.671 121.857 120.300 -0.190 0.000 2.426 5 Y HA 0.566 5.122 4.550 0.010 0.000 0.344 5 Y C -0.057 176.017 175.900 0.290 0.000 1.256 5 Y CA -0.877 57.281 58.100 0.097 0.000 1.451 5 Y CB 0.418 38.890 38.460 0.020 0.000 1.342 5 Y HN 0.744 nan 8.280 nan 0.000 0.600 6 L N 0.910 122.345 121.223 0.352 0.000 2.541 6 L HA 0.231 4.577 4.340 0.010 0.000 0.187 6 L C 0.629 177.693 176.870 0.324 0.000 1.098 6 L CA 0.743 55.740 54.840 0.262 0.000 0.846 6 L CB 0.118 42.271 42.059 0.156 0.000 1.151 6 L HN 0.913 nan 8.230 nan 0.000 0.492 7 T N -2.648 112.117 114.554 0.352 0.000 2.896 7 T HA 0.666 5.022 4.350 0.010 0.000 0.297 7 T C -1.073 173.808 174.700 0.301 0.000 1.108 7 T CA -0.665 61.616 62.100 0.302 0.000 1.004 7 T CB 2.617 71.617 68.868 0.221 0.000 1.159 7 T HN -0.144 nan 8.240 nan 0.000 0.499 8 V N 0.824 120.856 119.914 0.196 0.000 2.808 8 V HA 0.735 4.861 4.120 0.010 0.000 0.308 8 V C -1.760 174.400 176.094 0.110 0.000 1.099 8 V CA -0.482 61.894 62.300 0.126 0.000 0.920 8 V CB 1.898 33.742 31.823 0.035 0.000 1.014 8 V HN 1.070 nan 8.190 nan 0.000 0.425 9 E N 3.980 124.255 120.200 0.124 0.000 2.356 9 E HA 0.347 4.703 4.350 0.010 0.000 0.275 9 E C -1.498 175.200 176.600 0.163 0.000 0.904 9 E CA -0.611 55.901 56.400 0.187 0.000 0.757 9 E CB 2.522 32.439 29.700 0.362 0.000 1.232 9 E HN 0.757 nan 8.360 nan 0.000 0.442 10 Q N 2.435 122.355 119.800 0.200 0.000 2.314 10 Q HA 0.479 4.826 4.340 0.010 0.000 0.259 10 Q C -0.972 175.154 176.000 0.210 0.000 0.951 10 Q CA -0.341 55.573 55.803 0.185 0.000 0.909 10 Q CB 0.590 29.435 28.738 0.178 0.000 1.236 10 Q HN 0.490 nan 8.270 nan 0.000 0.444 11 I N 5.085 125.771 120.570 0.194 0.000 2.437 11 I HA 0.367 4.543 4.170 0.010 0.000 0.279 11 I C 0.811 176.989 176.117 0.102 0.000 1.028 11 I CA -0.304 61.041 61.300 0.074 0.000 1.142 11 I CB 1.195 39.160 38.000 -0.059 0.000 1.266 11 I HN 1.032 nan 8.210 nan 0.000 0.461 12 G N 5.672 114.502 108.800 0.050 0.000 2.596 12 G HA2 -0.299 3.667 3.960 0.010 0.000 0.304 12 G HA3 -0.299 3.667 3.960 0.010 0.000 0.304 12 G C 0.408 175.340 174.900 0.054 0.000 1.189 12 G CA 0.464 45.591 45.100 0.045 0.000 0.986 12 G HN 0.584 nan 8.290 nan 0.000 0.548 13 D N 1.493 121.912 120.400 0.032 0.000 2.358 13 D HA 0.419 5.065 4.640 0.010 0.000 0.224 13 D C 0.446 176.739 176.300 -0.011 0.000 1.123 13 D CA 0.685 54.686 54.000 0.003 0.000 0.833 13 D CB 0.472 41.261 40.800 -0.019 0.000 0.946 13 D HN 0.239 nan 8.370 nan 0.000 0.505 14 S N 0.375 116.077 115.700 0.004 0.000 2.503 14 S HA 0.443 4.919 4.470 0.010 0.000 0.301 14 S C -0.178 174.365 174.600 -0.096 0.000 1.087 14 S CA -0.674 57.463 58.200 -0.105 0.000 1.042 14 S CB 1.981 65.047 63.200 -0.224 0.000 1.043 14 S HN -0.011 nan 8.310 nan 0.000 0.489 15 I N 3.002 123.422 120.570 -0.251 0.000 2.331 15 I HA 0.343 4.519 4.170 0.010 0.000 0.292 15 I C -0.866 174.973 176.117 -0.463 0.000 0.998 15 I CA -0.356 60.744 61.300 -0.333 0.000 1.267 15 I CB 0.351 37.936 38.000 -0.691 0.000 1.386 15 I HN 0.532 nan 8.210 nan 0.000 0.476 16 F N 4.909 124.691 119.950 -0.279 0.000 2.411 16 F HA 0.360 4.894 4.527 0.012 0.000 0.352 16 F C 0.649 176.347 175.800 -0.171 0.000 1.123 16 F CA -0.425 57.377 58.000 -0.331 0.000 1.044 16 F CB 1.160 39.707 39.000 -0.756 0.000 1.135 16 F HN 0.414 nan 8.300 nan 0.000 0.461 17 E N 4.681 124.940 120.200 0.099 0.000 2.224 17 E HA 0.419 4.775 4.350 0.010 0.000 0.265 17 E C -0.991 175.858 176.600 0.415 0.000 0.878 17 E CA -0.898 55.650 56.400 0.247 0.000 0.759 17 E CB 1.205 31.033 29.700 0.215 0.000 1.164 17 E HN 0.616 nan 8.360 nan 0.000 0.414 18 R N 3.114 123.866 120.500 0.420 0.000 2.368 18 R HA 0.397 4.743 4.340 0.010 0.000 0.302 18 R C -0.937 175.604 176.300 0.402 0.000 1.002 18 R CA -0.489 55.819 56.100 0.348 0.000 0.929 18 R CB 0.839 31.273 30.300 0.223 0.000 1.073 18 R HN 0.450 nan 8.270 nan 0.000 0.464 19 Y N -0.643 119.723 120.300 0.111 0.000 2.638 19 Y HA 0.502 5.058 4.550 0.010 0.000 0.335 19 Y C -1.310 174.525 175.900 -0.108 0.000 1.155 19 Y CA -1.648 56.481 58.100 0.048 0.000 1.046 19 Y CB 1.012 39.593 38.460 0.200 0.000 1.303 19 Y HN 0.200 nan 8.280 nan 0.000 0.460 20 I N 3.892 124.273 120.570 -0.316 0.000 2.315 20 I HA 0.178 4.354 4.170 0.010 0.000 0.291 20 I C -0.205 175.830 176.117 -0.137 0.000 1.006 20 I CA -0.469 60.559 61.300 -0.453 0.000 1.265 20 I CB 0.570 38.026 38.000 -0.908 0.000 1.387 20 I HN 0.852 nan 8.210 nan 0.000 0.475 21 D N 4.069 124.398 120.400 -0.118 0.000 2.433 21 D HA 0.065 4.711 4.640 0.010 0.000 0.255 21 D C 1.043 177.400 176.300 0.095 0.000 1.226 21 D CA -0.451 53.617 54.000 0.114 0.000 1.015 21 D CB 0.438 41.280 40.800 0.070 0.000 1.091 21 D HN 0.435 nan 8.370 nan 0.000 0.527 22 S N -0.826 114.948 115.700 0.124 0.000 2.500 22 S HA -0.140 4.336 4.470 0.010 0.000 0.239 22 S C 0.963 175.599 174.600 0.061 0.000 0.989 22 S CA 0.338 58.595 58.200 0.095 0.000 0.951 22 S CB -0.498 62.750 63.200 0.081 0.000 0.759 22 S HN 0.495 nan 8.310 nan 0.000 0.523 23 N N 0.978 119.702 118.700 0.041 0.000 2.236 23 N HA 0.198 4.944 4.740 0.010 0.000 0.196 23 N C 1.199 176.716 175.510 0.012 0.000 1.114 23 N CA 0.757 53.821 53.050 0.023 0.000 0.859 23 N CB 0.692 39.187 38.487 0.012 0.000 0.982 23 N HN 0.636 nan 8.380 nan 0.000 0.493 24 G N 1.246 110.051 108.800 0.008 0.000 2.157 24 G HA2 -0.274 3.692 3.960 0.010 0.000 0.239 24 G HA3 -0.274 3.692 3.960 0.010 0.000 0.239 24 G C 0.104 174.975 174.900 -0.049 0.000 0.982 24 G CA -0.220 44.878 45.100 -0.002 0.000 0.650 24 G HN 0.244 nan 8.290 nan 0.000 0.527 25 R N 0.646 121.101 120.500 -0.076 0.000 2.459 25 R HA 0.556 4.903 4.340 0.010 0.000 0.281 25 R C 0.433 176.618 176.300 -0.192 0.000 1.050 25 R CA -0.430 55.605 56.100 -0.109 0.000 1.055 25 R CB 0.831 31.076 30.300 -0.092 0.000 1.045 25 R HN 0.427 nan 8.270 nan 0.000 0.495 26 E N 2.817 122.909 120.200 -0.181 0.000 2.290 26 E HA 0.074 4.430 4.350 0.010 0.000 0.277 26 E C -0.525 175.912 176.600 -0.271 0.000 1.035 26 E CA -0.267 55.995 56.400 -0.231 0.000 0.873 26 E CB 0.525 30.131 29.700 -0.156 0.000 1.029 26 E HN 0.239 nan 8.360 nan 0.000 0.419 27 R N 2.648 122.880 120.500 -0.447 0.000 2.867 27 R HA 0.520 4.867 4.340 0.010 0.000 0.268 27 R C -0.972 175.181 176.300 -0.244 0.000 1.014 27 R CA -0.835 55.004 56.100 -0.437 0.000 0.946 27 R CB 2.145 31.977 30.300 -0.780 0.000 1.208 27 R HN 0.531 nan 8.270 nan 0.000 0.477 28 T N 1.701 116.261 114.554 0.010 0.000 2.893 28 T HA 0.596 4.952 4.350 0.010 0.000 0.293 28 T C -0.634 174.229 174.700 0.272 0.000 1.027 28 T CA -0.982 61.247 62.100 0.215 0.000 0.988 28 T CB 2.184 71.186 68.868 0.224 0.000 1.043 28 T HN 0.634 nan 8.240 nan 0.000 0.461 29 R N 0.899 121.575 120.500 0.293 0.000 2.668 29 R HA 0.656 5.002 4.340 0.010 0.000 0.272 29 R C -1.443 174.816 176.300 -0.068 0.000 1.019 29 R CA -1.021 55.166 56.100 0.144 0.000 0.894 29 R CB 2.056 32.463 30.300 0.179 0.000 1.228 29 R HN 0.607 nan 8.270 nan 0.000 0.460 30 E N 2.367 122.435 120.200 -0.219 0.000 2.151 30 E HA 0.406 4.762 4.350 0.010 0.000 0.275 30 E C -1.327 175.070 176.600 -0.337 0.000 0.936 30 E CA -0.940 55.116 56.400 -0.574 0.000 0.777 30 E CB 1.911 31.194 29.700 -0.696 0.000 1.108 30 E HN 0.424 nan 8.360 nan 0.000 0.401 31 V N 4.561 124.262 119.914 -0.354 0.000 2.525 31 V HA 0.157 4.283 4.120 0.010 0.000 0.299 31 V C -0.526 175.491 176.094 -0.128 0.000 1.034 31 V CA -0.816 61.388 62.300 -0.161 0.000 0.863 31 V CB 1.714 33.506 31.823 -0.052 0.000 0.999 31 V HN 0.755 nan 8.190 nan 0.000 0.423 32 E N 3.852 124.013 120.200 -0.065 0.000 2.148 32 E HA 0.103 4.459 4.350 0.010 0.000 0.308 32 E C -0.708 175.905 176.600 0.022 0.000 1.278 32 E CA -0.298 56.077 56.400 -0.042 0.000 1.368 32 E CB 0.106 29.774 29.700 -0.053 0.000 1.229 32 E HN 0.623 nan 8.360 nan 0.000 0.494 33 Y N 2.579 122.835 120.300 -0.074 0.000 2.620 33 Y HA -0.057 4.499 4.550 0.010 0.000 0.330 33 Y C 0.028 175.889 175.900 -0.065 0.000 1.186 33 Y CA -0.129 57.962 58.100 -0.015 0.000 1.467 33 Y CB 0.461 38.952 38.460 0.052 0.000 1.262 33 Y HN 0.036 nan 8.280 nan 0.000 0.550 34 K N 9.376 129.438 120.400 -0.564 0.000 2.292 34 K HA 0.298 4.624 4.320 0.010 0.000 0.270 34 K C -2.645 173.467 176.600 -0.813 0.000 1.062 34 K CA -1.760 54.212 56.287 -0.525 0.000 0.916 34 K CB 0.995 33.307 32.500 -0.313 0.000 1.166 34 K HN 0.480 nan 8.250 nan 0.000 0.458 35 P HA 0.157 nan 4.420 nan 0.000 0.279 35 P C -0.651 176.513 177.300 -0.226 0.000 1.252 35 P CA -0.524 62.269 63.100 -0.513 0.000 0.811 35 P CB 1.144 32.476 31.700 -0.614 0.000 1.035 36 S N 0.754 116.368 115.700 -0.143 0.000 2.501 36 S HA 0.642 5.118 4.470 0.010 0.000 0.301 36 S C 0.021 174.516 174.600 -0.175 0.000 1.096 36 S CA -0.528 57.518 58.200 -0.257 0.000 1.063 36 S CB 0.558 63.495 63.200 -0.437 0.000 1.042 36 S HN 0.301 nan 8.310 nan 0.000 0.494 37 L N 1.345 122.398 121.223 -0.284 0.000 2.183 37 L HA 0.755 5.101 4.340 0.010 0.000 0.253 37 L C -1.487 175.008 176.870 -0.624 0.000 1.048 37 L CA -0.898 53.855 54.840 -0.146 0.000 0.890 37 L CB 1.208 43.423 42.059 0.260 0.000 1.476 37 L HN 0.540 nan 8.230 nan 0.000 0.455 38 F N -0.208 119.780 119.950 0.064 0.000 2.599 38 F HA 0.783 5.317 4.527 0.010 0.000 0.311 38 F C -0.097 175.812 175.800 0.182 0.000 1.076 38 F CA -0.658 57.349 58.000 0.013 0.000 0.937 38 F CB 2.087 41.066 39.000 -0.034 0.000 1.282 38 F HN 0.351 nan 8.300 nan 0.000 0.460 39 A N 0.621 123.616 122.820 0.292 0.000 2.435 39 A HA 0.684 5.010 4.320 0.010 0.000 0.304 39 A C -1.329 176.338 177.584 0.139 0.000 1.064 39 A CA -0.709 51.474 52.037 0.243 0.000 0.727 39 A CB 0.546 19.759 19.000 0.356 0.000 1.284 39 A HN 0.906 nan 8.150 nan 0.000 0.415 40 H N -0.836 118.355 119.070 0.200 0.000 2.852 40 H HA 0.382 4.944 4.556 0.010 0.000 0.362 40 H C -0.014 175.389 175.328 0.125 0.000 1.122 40 H CA 1.006 57.145 56.048 0.152 0.000 1.419 40 H CB 0.720 30.561 29.762 0.132 0.000 1.401 40 H HN 0.694 nan 8.280 nan 0.000 0.609 41 C N 2.764 122.210 119.300 0.244 0.000 3.239 41 C HA 0.175 4.642 4.460 0.010 0.000 0.317 41 C C -1.301 173.761 174.990 0.121 0.000 1.310 41 C CA -1.416 57.692 59.018 0.150 0.000 1.371 41 C CB 1.558 29.365 27.740 0.112 0.000 1.714 41 C HN 0.661 nan 8.230 nan 0.000 0.473 42 P HA -0.162 nan 4.420 nan 0.000 0.216 42 P C 0.045 177.393 177.300 0.080 0.000 1.167 42 P CA 2.047 65.191 63.100 0.073 0.000 0.933 42 P CB 0.185 31.920 31.700 0.057 0.000 0.793 43 E N -3.303 116.945 120.200 0.080 0.000 2.151 43 E HA 0.372 4.729 4.350 0.010 0.000 0.197 43 E C -0.672 175.961 176.600 0.055 0.000 1.085 43 E CA -0.872 55.566 56.400 0.063 0.000 0.873 43 E CB 0.042 29.779 29.700 0.061 0.000 2.021 43 E HN -0.198 nan 8.360 nan 0.000 0.468 44 S N 0.308 116.032 115.700 0.041 0.000 2.560 44 S HA -0.080 4.397 4.470 0.010 0.000 0.284 44 S C 0.987 175.612 174.600 0.043 0.000 1.327 44 S CA 0.222 58.443 58.200 0.034 0.000 1.055 44 S CB 0.779 63.992 63.200 0.021 0.000 0.868 44 S HN 0.616 nan 8.310 nan 0.000 0.506 45 Q N 4.046 123.877 119.800 0.052 0.000 2.436 45 Q HA 0.036 4.382 4.340 0.010 0.000 0.209 45 Q C 1.496 177.531 176.000 0.057 0.000 0.965 45 Q CA 1.408 57.257 55.803 0.076 0.000 0.910 45 Q CB -0.688 28.093 28.738 0.071 0.000 0.980 45 Q HN 0.791 nan 8.270 nan 0.000 0.491 46 A N 1.028 123.863 122.820 0.024 0.000 2.235 46 A HA 0.054 4.380 4.320 0.010 0.000 0.208 46 A C 1.110 178.677 177.584 -0.029 0.000 1.172 46 A CA 0.605 52.645 52.037 0.004 0.000 0.786 46 A CB -0.435 18.566 19.000 0.002 0.000 0.804 46 A HN 0.366 nan 8.150 nan 0.000 0.479 47 T N 0.013 114.534 114.554 -0.055 0.000 2.913 47 T HA 0.298 4.654 4.350 0.010 0.000 0.297 47 T C 1.046 175.592 174.700 -0.256 0.000 1.029 47 T CA 0.254 62.272 62.100 -0.137 0.000 1.104 47 T CB 0.562 69.336 68.868 -0.157 0.000 0.964 47 T HN 0.548 nan 8.240 nan 0.000 0.532 48 K N 2.692 122.868 120.400 -0.373 0.000 2.374 48 K HA 0.155 4.481 4.320 0.010 0.000 0.202 48 K C -0.706 175.577 176.600 -0.529 0.000 1.040 48 K CA -0.265 55.778 56.287 -0.406 0.000 1.085 48 K CB 0.296 32.541 32.500 -0.425 0.000 0.873 48 K HN 0.536 nan 8.250 nan 0.000 0.539 49 Y N 0.856 120.974 120.300 -0.303 0.000 2.328 49 Y HA 0.445 5.001 4.550 0.011 0.000 0.337 49 Y C -0.553 175.036 175.900 -0.519 0.000 1.008 49 Y CA -1.184 56.763 58.100 -0.255 0.000 1.129 49 Y CB 0.834 39.232 38.460 -0.102 0.000 1.185 49 Y HN -0.162 nan 8.280 nan 0.000 0.476 50 F N 1.859 121.875 119.950 0.110 0.000 2.565 50 F HA 0.274 4.808 4.527 0.010 0.000 0.313 50 F C -0.002 175.829 175.800 0.051 0.000 1.091 50 F CA -1.368 56.686 58.000 0.090 0.000 0.915 50 F CB 1.431 40.470 39.000 0.065 0.000 1.208 50 F HN 0.523 nan 8.300 nan 0.000 0.453 51 D N 1.764 122.333 120.400 0.281 0.000 2.393 51 D HA 0.017 4.663 4.640 0.010 0.000 0.246 51 D C 1.312 177.673 176.300 0.102 0.000 1.275 51 D CA -0.236 53.873 54.000 0.182 0.000 0.979 51 D CB 0.432 41.418 40.800 0.310 0.000 1.101 51 D HN 0.630 nan 8.370 nan 0.000 0.505 52 I N -3.187 117.335 120.570 -0.080 0.000 2.756 52 I HA -0.126 4.050 4.170 0.010 0.000 0.262 52 I C 0.922 176.863 176.117 -0.292 0.000 1.225 52 I CA 0.672 61.825 61.300 -0.246 0.000 1.472 52 I CB -0.631 37.144 38.000 -0.375 0.000 1.094 52 I HN 0.215 nan 8.210 nan 0.000 0.454 53 Y N 2.019 122.399 120.300 0.133 0.000 2.466 53 Y HA 0.430 4.986 4.550 0.010 0.000 0.272 53 Y C 1.923 177.877 175.900 0.090 0.000 1.169 53 Y CA 0.196 58.362 58.100 0.110 0.000 1.285 53 Y CB 0.302 38.823 38.460 0.102 0.000 1.078 53 Y HN 0.359 nan 8.280 nan 0.000 0.523 54 G N 0.586 109.503 108.800 0.195 0.000 2.143 54 G HA2 -0.261 3.705 3.960 0.010 0.000 0.249 54 G HA3 -0.261 3.705 3.960 0.010 0.000 0.249 54 G C 0.005 175.058 174.900 0.257 0.000 0.981 54 G CA -0.396 44.776 45.100 0.121 0.000 0.665 54 G HN 0.272 nan 8.290 nan 0.000 0.528 55 K N 1.517 122.121 120.400 0.340 0.000 2.276 55 K HA 0.372 4.698 4.320 0.010 0.000 0.283 55 K C -2.324 174.561 176.600 0.474 0.000 1.044 55 K CA -1.598 54.893 56.287 0.339 0.000 0.944 55 K CB 1.726 34.333 32.500 0.179 0.000 1.012 55 K HN 0.156 nan 8.250 nan 0.000 0.472 56 P HA 0.093 nan 4.420 nan 0.000 0.271 56 P C -0.504 176.884 177.300 0.147 0.000 1.218 56 P CA -0.377 62.800 63.100 0.127 0.000 0.780 56 P CB 0.659 32.415 31.700 0.094 0.000 0.901 57 C N 1.274 120.589 119.300 0.025 0.000 2.797 57 C HA 0.579 5.045 4.460 0.010 0.000 0.306 57 C C 0.268 175.358 174.990 0.168 0.000 1.207 57 C CA -0.190 58.912 59.018 0.140 0.000 1.507 57 C CB 1.905 29.728 27.740 0.139 0.000 2.028 57 C HN 0.639 nan 8.230 nan 0.000 0.475 58 T N 0.113 114.768 114.554 0.170 0.000 2.829 58 T HA 0.544 4.900 4.350 0.010 0.000 0.282 58 T C -0.442 174.282 174.700 0.041 0.000 0.990 58 T CA -0.600 61.567 62.100 0.113 0.000 1.028 58 T CB 0.971 69.861 68.868 0.037 0.000 0.951 58 T HN 0.739 nan 8.240 nan 0.000 0.460 59 R N 1.780 122.213 120.500 -0.113 0.000 2.265 59 R HA 0.303 4.649 4.340 0.010 0.000 0.314 59 R C -0.453 175.492 176.300 -0.592 0.000 1.053 59 R CA -0.537 55.194 56.100 -0.615 0.000 0.931 59 R CB 0.435 30.331 30.300 -0.674 0.000 1.024 59 R HN 0.613 nan 8.270 nan 0.000 0.457 60 K N 5.436 125.349 120.400 -0.810 0.000 2.316 60 K HA 0.235 4.561 4.320 0.010 0.000 0.267 60 K C -0.778 175.168 176.600 -1.091 0.000 1.025 60 K CA -0.641 55.074 56.287 -0.953 0.000 0.896 60 K CB 1.447 33.209 32.500 -1.230 0.000 1.124 60 K HN 0.376 nan 8.250 nan 0.000 0.451 61 L N 5.228 125.930 121.223 -0.870 0.000 2.264 61 L HA 0.422 4.768 4.340 0.010 0.000 0.289 61 L C -1.113 175.310 176.870 -0.746 0.000 1.044 61 L CA -0.286 54.157 54.840 -0.661 0.000 0.807 61 L CB 0.113 41.923 42.059 -0.415 0.000 1.192 61 L HN 0.496 nan 8.230 nan 0.000 0.425 62 F N 2.845 122.576 119.950 -0.366 0.000 2.397 62 F HA 0.386 4.919 4.527 0.011 0.000 0.331 62 F C 1.386 177.027 175.800 -0.265 0.000 1.090 62 F CA -0.319 57.492 58.000 -0.316 0.000 1.065 62 F CB 1.617 40.416 39.000 -0.335 0.000 1.184 62 F HN 0.647 nan 8.300 nan 0.000 0.499 63 A N 2.268 125.076 122.820 -0.019 0.000 2.019 63 A HA -0.052 4.275 4.320 0.010 0.000 0.219 63 A C 0.243 177.782 177.584 -0.075 0.000 1.164 63 A CA 1.837 53.836 52.037 -0.062 0.000 0.644 63 A CB -0.971 18.004 19.000 -0.042 0.000 0.805 63 A HN 0.908 nan 8.150 nan 0.000 0.449 64 N N -4.845 113.813 118.700 -0.071 0.000 3.116 64 N HA 0.360 5.106 4.740 0.010 0.000 0.244 64 N C -0.032 175.354 175.510 -0.207 0.000 1.485 64 N CA -0.477 52.500 53.050 -0.121 0.000 0.884 64 N CB 0.174 38.616 38.487 -0.076 0.000 1.415 64 N HN -0.094 nan 8.380 nan 0.000 0.524 65 M N -0.232 119.222 119.600 -0.245 0.000 2.200 65 M HA 0.062 4.548 4.480 0.010 0.000 0.265 65 M C 1.667 177.846 176.300 -0.202 0.000 1.066 65 M CA 1.335 56.389 55.300 -0.410 0.000 1.127 65 M CB -0.279 32.174 32.600 -0.246 0.000 1.379 65 M HN 0.502 nan 8.290 nan 0.000 0.420 66 R N 0.371 120.823 120.500 -0.079 0.000 2.096 66 R HA -0.139 4.207 4.340 0.010 0.000 0.235 66 R C 1.664 177.930 176.300 -0.057 0.000 1.127 66 R CA 1.306 57.392 56.100 -0.023 0.000 0.968 66 R CB -0.315 29.982 30.300 -0.005 0.000 0.861 66 R HN 0.324 nan 8.270 nan 0.000 0.440 67 D N 0.364 120.707 120.400 -0.096 0.000 2.117 67 D HA -0.103 4.543 4.640 0.010 0.000 0.198 67 D C 1.805 177.905 176.300 -0.332 0.000 0.982 67 D CA 1.465 55.413 54.000 -0.086 0.000 0.828 67 D CB -0.233 40.584 40.800 0.029 0.000 0.967 67 D HN 0.237 nan 8.370 nan 0.000 0.464 68 A N 0.887 123.300 122.820 -0.678 0.000 1.877 68 A HA -0.190 4.136 4.320 0.010 0.000 0.216 68 A C 2.361 179.776 177.584 -0.282 0.000 1.186 68 A CA 2.567 53.906 52.037 -1.163 0.000 0.620 68 A CB -0.705 17.697 19.000 -0.996 0.000 0.822 68 A HN 0.337 nan 8.150 nan 0.000 0.443 69 S N -0.970 114.735 115.700 0.008 0.000 2.383 69 S HA -0.182 4.294 4.470 0.010 0.000 0.227 69 S C 1.886 176.508 174.600 0.037 0.000 1.026 69 S CA 1.237 59.504 58.200 0.111 0.000 0.981 69 S CB -0.396 62.898 63.200 0.157 0.000 0.818 69 S HN 0.536 nan 8.310 nan 0.000 0.472 70 Q N 0.012 119.820 119.800 0.014 0.000 2.167 70 Q HA -0.043 4.303 4.340 0.010 0.000 0.202 70 Q C 1.672 177.711 176.000 0.064 0.000 0.970 70 Q CA 1.194 57.014 55.803 0.030 0.000 0.855 70 Q CB -0.502 28.256 28.738 0.034 0.000 0.911 70 Q HN 0.863 nan 8.270 nan 0.000 0.438 71 W N 1.363 122.591 121.300 -0.120 0.000 2.358 71 W HA -0.132 4.534 4.660 0.010 0.000 0.303 71 W C 1.779 178.280 176.519 -0.031 0.000 1.208 71 W CA 1.163 58.477 57.345 -0.053 0.000 1.274 71 W CB -0.339 29.087 29.460 -0.057 0.000 1.138 71 W HN 0.031 nan 8.180 nan 0.000 0.515 72 I N 0.849 121.418 120.570 -0.003 0.000 2.208 72 I HA -0.374 3.803 4.170 0.010 0.000 0.245 72 I C 2.408 178.406 176.117 -0.198 0.000 1.097 72 I CA 1.721 62.927 61.300 -0.155 0.000 1.363 72 I CB -0.659 37.337 38.000 -0.006 0.000 1.051 72 I HN -0.040 nan 8.210 nan 0.000 0.413 73 K N 0.463 120.795 120.400 -0.113 0.000 2.026 73 K HA -0.196 4.130 4.320 0.010 0.000 0.208 73 K C 2.323 178.844 176.600 -0.132 0.000 1.048 73 K CA 1.495 57.724 56.287 -0.097 0.000 0.929 73 K CB -0.177 32.294 32.500 -0.049 0.000 0.713 73 K HN 0.102 nan 8.250 nan 0.000 0.439 74 R N 0.216 120.625 120.500 -0.151 0.000 2.096 74 R HA -0.006 4.340 4.340 0.010 0.000 0.235 74 R C 2.280 178.440 176.300 -0.234 0.000 1.127 74 R CA 1.327 57.334 56.100 -0.155 0.000 0.968 74 R CB -0.077 30.157 30.300 -0.108 0.000 0.861 74 R HN 0.143 nan 8.270 nan 0.000 0.440 75 M N 0.055 119.407 119.600 -0.413 0.000 2.213 75 M HA -0.149 4.337 4.480 0.010 0.000 0.263 75 M C 2.019 178.174 176.300 -0.243 0.000 1.062 75 M CA 1.458 56.503 55.300 -0.425 0.000 1.105 75 M CB -0.664 31.497 32.600 -0.732 0.000 1.385 75 M HN 0.263 nan 8.290 nan 0.000 0.417 76 E N 0.509 120.587 120.200 -0.202 0.000 2.072 76 E HA -0.205 4.151 4.350 0.010 0.000 0.191 76 E C 1.318 177.858 176.600 -0.099 0.000 0.985 76 E CA 1.220 57.542 56.400 -0.130 0.000 0.801 76 E CB 0.200 29.835 29.700 -0.109 0.000 0.750 76 E HN 0.381 nan 8.360 nan 0.000 0.452 77 D N 0.521 120.862 120.400 -0.097 0.000 2.117 77 D HA -0.157 4.489 4.640 0.010 0.000 0.197 77 D C 2.031 178.294 176.300 -0.063 0.000 0.987 77 D CA 1.018 54.976 54.000 -0.069 0.000 0.829 77 D CB -0.145 40.619 40.800 -0.060 0.000 0.961 77 D HN 0.345 nan 8.370 nan 0.000 0.460 78 I N -0.280 120.243 120.570 -0.078 0.000 2.353 78 I HA -0.026 4.150 4.170 0.010 0.000 0.248 78 I C 1.483 177.568 176.117 -0.052 0.000 1.119 78 I CA 0.987 62.251 61.300 -0.060 0.000 1.417 78 I CB -0.059 37.902 38.000 -0.065 0.000 1.078 78 I HN 0.116 nan 8.210 nan 0.000 0.421 79 G N 1.465 110.224 108.800 -0.068 0.000 2.145 79 G HA2 -0.166 3.800 3.960 0.010 0.000 0.176 79 G HA3 -0.166 3.800 3.960 0.010 0.000 0.176 79 G C -0.207 174.667 174.900 -0.044 0.000 1.013 79 G CA -0.526 44.542 45.100 -0.053 0.000 0.689 79 G HN 0.189 nan 8.290 nan 0.000 0.506 80 L N -0.012 121.172 121.223 -0.066 0.000 2.342 80 L HA 0.598 4.944 4.340 0.010 0.000 0.271 80 L C 0.620 177.450 176.870 -0.066 0.000 1.008 80 L CA -1.045 53.772 54.840 -0.038 0.000 0.818 80 L CB 1.919 43.962 42.059 -0.026 0.000 1.296 80 L HN 0.247 nan 8.230 nan 0.000 0.427 81 E N 1.608 121.810 120.200 0.003 0.000 2.366 81 E HA 0.305 4.661 4.350 0.010 0.000 0.266 81 E C -0.685 175.894 176.600 -0.035 0.000 1.015 81 E CA -0.405 55.995 56.400 0.001 0.000 0.906 81 E CB 1.063 30.814 29.700 0.084 0.000 0.979 81 E HN 0.618 nan 8.360 nan 0.000 0.443 82 A N 5.862 128.641 122.820 -0.068 0.000 2.280 82 A HA 0.370 4.696 4.320 0.010 0.000 0.320 82 A C -0.859 176.826 177.584 0.168 0.000 1.366 82 A CA -0.619 51.417 52.037 -0.002 0.000 0.938 82 A CB 0.138 19.015 19.000 -0.204 0.000 1.157 82 A HN 0.531 nan 8.150 nan 0.000 0.536 83 L N 2.068 123.449 121.223 0.262 0.000 2.399 83 L HA 0.842 5.188 4.340 0.010 0.000 0.265 83 L C 0.948 178.034 176.870 0.360 0.000 1.089 83 L CA 1.000 55.974 54.840 0.223 0.000 0.802 83 L CB 1.163 43.300 42.059 0.129 0.000 1.180 83 L HN 1.187 nan 8.230 nan 0.000 0.454 84 G N 1.533 110.495 108.800 0.270 0.000 2.497 84 G HA2 0.040 4.006 3.960 0.010 0.000 0.686 84 G HA3 0.040 4.006 3.960 0.010 0.000 0.686 84 G C -1.026 173.954 174.900 0.133 0.000 1.288 84 G CA -0.792 44.509 45.100 0.334 0.000 0.899 84 G HN 0.569 nan 8.290 nan 0.000 0.608 85 M N 2.178 121.791 119.600 0.020 0.000 2.292 85 M HA 0.308 4.795 4.480 0.010 0.000 0.342 85 M C 1.479 177.692 176.300 -0.145 0.000 1.538 85 M CA -0.195 54.946 55.300 -0.265 0.000 1.163 85 M CB 0.299 32.390 32.600 -0.849 0.000 1.823 85 M HN 0.611 nan 8.290 nan 0.000 0.462 86 D N 1.713 121.972 120.400 -0.235 0.000 2.348 86 D HA -0.045 4.601 4.640 0.010 0.000 0.211 86 D C -0.328 175.502 176.300 -0.782 0.000 0.998 86 D CA 0.211 53.950 54.000 -0.435 0.000 0.873 86 D CB -0.226 40.422 40.800 -0.253 0.000 0.925 86 D HN 0.543 nan 8.370 nan 0.000 0.524 87 D N 0.100 120.215 120.400 -0.476 0.000 2.422 87 D HA 0.028 4.674 4.640 0.010 0.000 0.227 87 D C 0.402 176.553 176.300 -0.248 0.000 1.190 87 D CA -0.609 53.162 54.000 -0.381 0.000 0.905 87 D CB 0.037 40.716 40.800 -0.203 0.000 1.034 87 D HN -0.149 nan 8.370 nan 0.000 0.507 88 F N 2.800 122.765 119.950 0.024 0.000 2.269 88 F HA -0.124 4.409 4.527 0.010 0.000 0.301 88 F C 2.385 178.223 175.800 0.063 0.000 1.082 88 F CA 0.763 58.826 58.000 0.104 0.000 1.360 88 F CB -0.468 38.631 39.000 0.165 0.000 1.041 88 F HN 0.465 nan 8.300 nan 0.000 0.512 89 K N 0.653 121.143 120.400 0.150 0.000 2.211 89 K HA -0.092 4.234 4.320 0.010 0.000 0.203 89 K C 1.863 178.501 176.600 0.064 0.000 1.050 89 K CA 1.343 57.669 56.287 0.065 0.000 0.945 89 K CB -0.777 31.735 32.500 0.020 0.000 0.732 89 K HN 0.315 nan 8.250 nan 0.000 0.451 90 L N 1.188 122.433 121.223 0.037 0.000 2.056 90 L HA -0.098 4.248 4.340 0.010 0.000 0.207 90 L C 2.878 179.858 176.870 0.184 0.000 1.078 90 L CA 1.134 56.010 54.840 0.059 0.000 0.749 90 L CB -0.643 41.410 42.059 -0.010 0.000 0.901 90 L HN 0.310 nan 8.230 nan 0.000 0.433 91 A N -0.456 122.460 122.820 0.160 0.000 1.902 91 A HA -0.290 4.036 4.320 0.010 0.000 0.217 91 A C 2.206 179.910 177.584 0.199 0.000 1.181 91 A CA 1.567 53.811 52.037 0.346 0.000 0.623 91 A CB -0.926 18.328 19.000 0.424 0.000 0.818 91 A HN 0.478 nan 8.150 nan 0.000 0.443 92 Y N 0.570 120.711 120.300 -0.265 0.000 2.128 92 Y HA -0.220 4.336 4.550 0.011 0.000 0.284 92 Y C 1.978 177.741 175.900 -0.228 0.000 1.154 92 Y CA 2.066 59.764 58.100 -0.669 0.000 1.149 92 Y CB -0.303 37.666 38.460 -0.820 0.000 0.976 92 Y HN 0.216 nan 8.280 nan 0.000 0.505 93 L N -0.915 120.272 121.223 -0.061 0.000 2.083 93 L HA -0.236 4.110 4.340 0.010 0.000 0.209 93 L C 2.821 179.685 176.870 -0.010 0.000 1.083 93 L CA 1.595 56.412 54.840 -0.038 0.000 0.752 93 L CB -0.815 41.183 42.059 -0.101 0.000 0.899 93 L HN 0.248 nan 8.230 nan 0.000 0.433 94 S N -0.421 115.309 115.700 0.051 0.000 2.368 94 S HA -0.195 4.281 4.470 0.010 0.000 0.225 94 S C 1.609 176.191 174.600 -0.030 0.000 1.030 94 S CA 1.527 59.754 58.200 0.044 0.000 0.999 94 S CB -0.142 63.148 63.200 0.151 0.000 0.844 94 S HN 0.400 nan 8.310 nan 0.000 0.459 95 D N 0.378 120.751 120.400 -0.045 0.000 2.117 95 D HA -0.016 4.630 4.640 0.010 0.000 0.198 95 D C 1.998 178.166 176.300 -0.221 0.000 0.982 95 D CA 1.412 55.368 54.000 -0.073 0.000 0.828 95 D CB -0.624 40.189 40.800 0.022 0.000 0.967 95 D HN 0.416 nan 8.370 nan 0.000 0.464 96 T N -0.834 113.452 114.554 -0.445 0.000 2.978 96 T HA -0.062 4.294 4.350 0.010 0.000 0.262 96 T C 0.462 174.695 174.700 -0.778 0.000 1.063 96 T CA 0.606 62.295 62.100 -0.684 0.000 1.140 96 T CB -0.031 68.194 68.868 -1.072 0.000 0.886 96 T HN 0.158 nan 8.240 nan 0.000 0.470 97 Y N 1.721 121.877 120.300 -0.240 0.000 2.638 97 Y HA 0.428 4.984 4.550 0.010 0.000 0.367 97 Y C 0.501 176.085 175.900 -0.528 0.000 1.001 97 Y CA -1.230 56.601 58.100 -0.449 0.000 1.133 97 Y CB -0.077 38.200 38.460 -0.305 0.000 1.199 97 Y HN -0.056 nan 8.280 nan 0.000 0.642 98 N N 2.567 121.140 118.700 -0.211 0.000 3.259 98 N HA 0.098 4.844 4.740 0.010 0.000 0.308 98 N C -1.465 174.107 175.510 0.104 0.000 1.334 98 N CA -0.020 53.002 53.050 -0.047 0.000 1.202 98 N CB -0.593 37.907 38.487 0.021 0.000 1.485 98 N HN 0.502 nan 8.380 nan 0.000 0.549 99 Y N -2.555 117.796 120.300 0.085 0.000 2.741 99 Y HA 0.332 4.889 4.550 0.011 0.000 0.339 99 Y C -0.389 175.564 175.900 0.089 0.000 1.226 99 Y CA -1.493 56.652 58.100 0.075 0.000 1.072 99 Y CB 0.429 38.937 38.460 0.081 0.000 1.331 99 Y HN -0.017 nan 8.280 nan 0.000 0.453 100 E N 2.210 122.566 120.200 0.261 0.000 2.383 100 E HA 0.209 4.566 4.350 0.010 0.000 0.257 100 E C -0.774 176.001 176.600 0.291 0.000 1.079 100 E CA -0.149 56.364 56.400 0.189 0.000 0.934 100 E CB 0.284 30.082 29.700 0.162 0.000 0.978 100 E HN 0.576 nan 8.360 nan 0.000 0.462 101 I N 4.912 125.587 120.570 0.174 0.000 2.587 101 I HA -0.037 4.139 4.170 0.010 0.000 0.284 101 I C 0.364 176.545 176.117 0.106 0.000 1.134 101 I CA 0.376 61.777 61.300 0.170 0.000 1.410 101 I CB 0.363 38.382 38.000 0.033 0.000 1.392 101 I HN 0.351 nan 8.210 nan 0.000 0.545 102 K N 7.408 127.855 120.400 0.079 0.000 2.316 102 K HA 0.304 4.630 4.320 0.010 0.000 0.267 102 K C -0.919 175.480 176.600 -0.335 0.000 1.025 102 K CA -0.434 55.797 56.287 -0.094 0.000 0.896 102 K CB 0.550 33.025 32.500 -0.041 0.000 1.124 102 K HN 0.367 nan 8.250 nan 0.000 0.451 103 Y N -0.279 119.613 120.300 -0.679 0.000 2.419 103 Y HA 0.647 5.204 4.550 0.011 0.000 0.328 103 Y C -0.448 174.974 175.900 -0.796 0.000 1.162 103 Y CA -1.369 55.897 58.100 -1.390 0.000 1.174 103 Y CB 1.285 38.722 38.460 -1.705 0.000 1.228 103 Y HN 0.374 nan 8.280 nan 0.000 0.473 104 D N 1.259 121.237 120.400 -0.703 0.000 2.453 104 D HA 0.106 4.752 4.640 0.010 0.000 0.238 104 D C 0.504 176.848 176.300 0.074 0.000 1.088 104 D CA -0.558 53.334 54.000 -0.181 0.000 0.854 104 D CB 0.197 41.003 40.800 0.010 0.000 1.076 104 D HN 0.888 nan 8.370 nan 0.000 0.533 105 H N 1.020 120.154 119.070 0.106 0.000 2.456 105 H HA -0.122 4.440 4.556 0.010 0.000 0.296 105 H C 1.502 176.936 175.328 0.177 0.000 1.079 105 H CA 1.933 58.121 56.048 0.233 0.000 1.322 105 H CB -0.220 29.685 29.762 0.239 0.000 1.388 105 H HN 0.307 nan 8.280 nan 0.000 0.538 106 T N -1.905 112.354 114.554 -0.492 0.000 3.007 106 T HA -0.036 4.321 4.350 0.010 0.000 0.270 106 T C 1.455 176.130 174.700 -0.041 0.000 1.107 106 T CA 0.634 62.559 62.100 -0.290 0.000 1.118 106 T CB -0.069 68.624 68.868 -0.292 0.000 0.889 106 T HN 0.329 nan 8.240 nan 0.000 0.506 107 K N 0.538 120.974 120.400 0.060 0.000 2.379 107 K HA 0.342 4.669 4.320 0.010 0.000 0.194 107 K C 0.542 177.215 176.600 0.123 0.000 1.031 107 K CA 0.020 56.369 56.287 0.104 0.000 1.037 107 K CB 0.354 32.964 32.500 0.183 0.000 0.824 107 K HN 0.490 nan 8.250 nan 0.000 0.516 108 I N 2.323 123.001 120.570 0.181 0.000 2.312 108 I HA 0.148 4.324 4.170 0.010 0.000 0.291 108 I C 0.492 176.675 176.117 0.110 0.000 1.031 108 I CA -0.561 60.847 61.300 0.180 0.000 1.293 108 I CB 0.778 38.939 38.000 0.268 0.000 1.403 108 I HN -0.150 nan 8.210 nan 0.000 0.484 109 R N 6.162 126.690 120.500 0.047 0.000 2.291 109 R HA 0.341 4.687 4.340 0.010 0.000 0.333 109 R C -1.201 175.113 176.300 0.023 0.000 1.082 109 R CA -0.248 55.852 56.100 0.000 0.000 0.948 109 R CB 0.437 30.688 30.300 -0.081 0.000 1.009 109 R HN 0.452 nan 8.270 nan 0.000 0.460 110 V N 4.386 124.340 119.914 0.067 0.000 2.328 110 V HA 0.470 4.596 4.120 0.010 0.000 0.278 110 V C 0.027 176.184 176.094 0.105 0.000 1.021 110 V CA -0.744 61.622 62.300 0.110 0.000 0.838 110 V CB 1.250 33.181 31.823 0.181 0.000 0.999 110 V HN 0.854 nan 8.190 nan 0.000 0.447 111 A N 4.323 127.181 122.820 0.063 0.000 2.317 111 A HA 0.794 5.120 4.320 0.010 0.000 0.327 111 A C -0.334 177.318 177.584 0.114 0.000 1.178 111 A CA -0.585 51.457 52.037 0.008 0.000 0.817 111 A CB 0.947 19.845 19.000 -0.170 0.000 1.189 111 A HN 0.773 nan 8.150 nan 0.000 0.489 112 N N 1.512 120.319 118.700 0.178 0.000 2.399 112 N HA 0.665 5.412 4.740 0.010 0.000 0.280 112 N C -1.148 174.576 175.510 0.356 0.000 1.008 112 N CA -0.580 52.649 53.050 0.299 0.000 0.894 112 N CB 0.839 39.498 38.487 0.286 0.000 1.273 112 N HN 0.543 nan 8.380 nan 0.000 0.486 113 F N 0.742 120.780 119.950 0.148 0.000 2.640 113 F HA 0.824 5.357 4.527 0.009 0.000 0.324 113 F C -1.252 174.691 175.800 0.239 0.000 1.077 113 F CA -1.311 56.816 58.000 0.212 0.000 0.965 113 F CB 1.468 40.630 39.000 0.269 0.000 1.351 113 F HN 0.359 nan 8.300 nan 0.000 0.487 114 D N 1.339 121.742 120.400 0.006 0.000 2.837 114 D HA 0.570 5.216 4.640 0.010 0.000 0.220 114 D C -1.363 174.924 176.300 -0.021 0.000 1.236 114 D CA -0.429 53.496 54.000 -0.125 0.000 0.838 114 D CB 2.200 43.013 40.800 0.021 0.000 1.647 114 D HN 0.870 nan 8.370 nan 0.000 0.486 115 I N -0.773 119.769 120.570 -0.047 0.000 2.797 115 I HA 0.742 4.918 4.170 0.010 0.000 0.307 115 I C -0.812 175.312 176.117 0.012 0.000 1.033 115 I CA -0.672 60.636 61.300 0.012 0.000 1.071 115 I CB 2.060 40.061 38.000 0.002 0.000 1.255 115 I HN 0.097 nan 8.210 nan 0.000 0.445 116 E N 3.896 124.093 120.200 -0.006 0.000 2.212 116 E HA 0.609 4.965 4.350 0.010 0.000 0.268 116 E C -1.266 175.370 176.600 0.060 0.000 0.902 116 E CA -0.779 55.613 56.400 -0.013 0.000 0.779 116 E CB 2.868 32.468 29.700 -0.166 0.000 1.172 116 E HN 0.520 nan 8.360 nan 0.000 0.409 117 V N 2.245 122.187 119.914 0.047 0.000 2.488 117 V HA 0.200 4.326 4.120 0.010 0.000 0.293 117 V C -0.173 175.941 176.094 0.034 0.000 1.027 117 V CA -0.770 61.534 62.300 0.007 0.000 0.862 117 V CB 1.929 33.603 31.823 -0.249 0.000 1.008 117 V HN 0.596 nan 8.190 nan 0.000 0.428 118 T N 3.417 118.027 114.554 0.093 0.000 2.851 118 T HA 0.359 4.715 4.350 0.010 0.000 0.298 118 T C 0.207 174.748 174.700 -0.264 0.000 0.977 118 T CA 0.249 62.328 62.100 -0.035 0.000 1.126 118 T CB 0.952 69.814 68.868 -0.009 0.000 0.916 118 T HN 0.707 nan 8.240 nan 0.000 0.529 119 S N 3.835 119.287 115.700 -0.414 0.000 2.776 119 S HA 0.434 4.910 4.470 0.010 0.000 0.284 119 S C -2.008 172.305 174.600 -0.478 0.000 1.160 119 S CA -1.394 56.381 58.200 -0.709 0.000 1.051 119 S CB 1.427 64.223 63.200 -0.673 0.000 1.037 119 S HN 0.440 nan 8.310 nan 0.000 0.485 120 P HA 0.136 nan 4.420 nan 0.000 0.236 120 P C -0.110 177.113 177.300 -0.129 0.000 1.177 120 P CA 0.575 63.509 63.100 -0.277 0.000 0.773 120 P CB -0.221 31.303 31.700 -0.293 0.000 0.878 121 D N -1.011 119.331 120.400 -0.098 0.000 2.892 121 D HA 0.451 5.097 4.640 0.010 0.000 0.291 121 D C 0.841 177.172 176.300 0.051 0.000 1.341 121 D CA -0.627 53.383 54.000 0.016 0.000 0.844 121 D CB 0.016 40.869 40.800 0.088 0.000 1.093 121 D HN 0.186 nan 8.370 nan 0.000 0.480 122 G N 0.144 108.959 108.800 0.025 0.000 2.500 122 G HA2 -0.132 3.834 3.960 0.010 0.000 0.209 122 G HA3 -0.132 3.834 3.960 0.010 0.000 0.209 122 G C -0.833 174.139 174.900 0.120 0.000 1.283 122 G CA -0.834 44.323 45.100 0.094 0.000 0.960 122 G HN 0.325 nan 8.290 nan 0.000 0.528 123 F N 3.996 123.977 119.950 0.052 0.000 2.543 123 F HA 0.499 5.029 4.527 0.004 0.000 0.375 123 F C -1.023 174.871 175.800 0.157 0.000 1.075 123 F CA -1.211 56.828 58.000 0.064 0.000 1.225 123 F CB 0.800 39.835 39.000 0.058 0.000 1.099 123 F HN 0.301 nan 8.300 nan 0.000 0.561 124 P HA 0.020 nan 4.420 nan 0.000 0.271 124 P C -0.908 176.433 177.300 0.069 0.000 1.380 124 P CA -0.037 63.054 63.100 -0.014 0.000 0.992 124 P CB 0.391 32.100 31.700 0.015 0.000 1.230 125 E N 5.616 125.984 120.200 0.280 0.000 2.351 125 E HA 0.014 4.370 4.350 0.010 0.000 0.266 125 E C -1.251 175.529 176.600 0.299 0.000 1.031 125 E CA -1.498 55.126 56.400 0.374 0.000 0.911 125 E CB 0.545 30.427 29.700 0.303 0.000 0.986 125 E HN 0.389 nan 8.360 nan 0.000 0.446 126 P HA -0.104 nan 4.420 nan 0.000 0.219 126 P C 1.141 178.417 177.300 -0.041 0.000 1.146 126 P CA 0.909 64.086 63.100 0.127 0.000 0.808 126 P CB 0.423 32.232 31.700 0.181 0.000 0.779 127 S N -0.613 115.115 115.700 0.047 0.000 2.428 127 S HA -0.091 4.385 4.470 0.010 0.000 0.230 127 S C 1.935 176.513 174.600 -0.037 0.000 1.014 127 S CA 0.971 59.179 58.200 0.013 0.000 0.957 127 S CB -0.353 62.878 63.200 0.050 0.000 0.784 127 S HN 0.247 nan 8.310 nan 0.000 0.499 128 Q N 0.260 120.035 119.800 -0.042 0.000 2.226 128 Q HA 0.329 4.675 4.340 0.010 0.000 0.199 128 Q C 1.115 177.001 176.000 -0.190 0.000 0.945 128 Q CA 0.684 56.442 55.803 -0.074 0.000 0.861 128 Q CB -0.510 28.220 28.738 -0.014 0.000 0.953 128 Q HN 0.443 nan 8.270 nan 0.000 0.490 129 A N 2.483 125.098 122.820 -0.341 0.000 2.415 129 A HA -0.253 4.073 4.320 0.010 0.000 0.292 129 A C 1.117 178.515 177.584 -0.310 0.000 1.452 129 A CA 1.457 53.059 52.037 -0.726 0.000 0.750 129 A CB -1.806 16.654 19.000 -0.902 0.000 1.099 129 A HN 0.541 nan 8.150 nan 0.000 0.391 130 K N -0.748 119.548 120.400 -0.173 0.000 2.367 130 K HA 0.170 4.496 4.320 0.010 0.000 0.194 130 K C 0.197 176.632 176.600 -0.275 0.000 1.027 130 K CA 0.634 56.772 56.287 -0.248 0.000 1.075 130 K CB 0.169 32.486 32.500 -0.305 0.000 0.845 130 K HN 0.787 nan 8.250 nan 0.000 0.529 131 H N 1.239 120.460 119.070 0.251 0.000 2.529 131 H HA 0.357 4.921 4.556 0.013 0.000 0.348 131 H C -2.652 172.846 175.328 0.284 0.000 1.152 131 H CA -2.286 53.946 56.048 0.308 0.000 1.202 131 H CB 1.336 31.305 29.762 0.345 0.000 1.562 131 H HN -0.065 nan 8.280 nan 0.000 0.515 132 P HA -0.015 nan 4.420 nan 0.000 0.266 132 P C -0.244 177.187 177.300 0.219 0.000 1.195 132 P CA 0.244 63.460 63.100 0.194 0.000 0.768 132 P CB 0.544 32.307 31.700 0.105 0.000 0.838 133 I N 3.389 124.065 120.570 0.176 0.000 2.452 133 I HA 0.027 4.204 4.170 0.010 0.000 0.287 133 I C 0.935 177.122 176.117 0.116 0.000 1.079 133 I CA 0.491 61.861 61.300 0.117 0.000 1.387 133 I CB 0.556 38.607 38.000 0.085 0.000 1.404 133 I HN 0.440 nan 8.210 nan 0.000 0.522 134 D N 4.260 124.754 120.400 0.157 0.000 2.433 134 D HA 0.353 5.000 4.640 0.010 0.000 0.211 134 D C -0.004 176.456 176.300 0.266 0.000 1.114 134 D CA -0.147 53.982 54.000 0.215 0.000 0.837 134 D CB 0.745 41.692 40.800 0.245 0.000 0.984 134 D HN 0.406 nan 8.370 nan 0.000 0.505 135 A N 0.223 123.159 122.820 0.194 0.000 2.540 135 A HA 0.665 4.991 4.320 0.010 0.000 0.297 135 A C -1.619 176.027 177.584 0.103 0.000 1.056 135 A CA -0.776 51.361 52.037 0.168 0.000 0.700 135 A CB 1.070 20.137 19.000 0.112 0.000 1.280 135 A HN 0.145 nan 8.150 nan 0.000 0.398 136 I N 1.361 122.024 120.570 0.154 0.000 2.534 136 I HA 0.463 4.639 4.170 0.010 0.000 0.288 136 I C -0.458 175.864 176.117 0.341 0.000 1.077 136 I CA -0.383 61.013 61.300 0.160 0.000 1.051 136 I CB 2.745 40.673 38.000 -0.120 0.000 1.234 136 I HN 0.551 nan 8.210 nan 0.000 0.425 137 T N 3.518 118.277 114.554 0.341 0.000 2.792 137 T HA 0.351 4.707 4.350 0.010 0.000 0.280 137 T C -1.049 174.012 174.700 0.602 0.000 0.990 137 T CA -0.424 61.934 62.100 0.431 0.000 0.960 137 T CB 0.650 69.695 68.868 0.295 0.000 0.939 137 T HN 0.525 nan 8.240 nan 0.000 0.439 138 H N 2.382 121.814 119.070 0.604 0.000 2.860 138 H HA 0.443 5.005 4.556 0.010 0.000 0.312 138 H C -1.504 174.183 175.328 0.598 0.000 0.995 138 H CA -0.794 55.657 56.048 0.671 0.000 1.311 138 H CB 0.570 30.806 29.762 0.790 0.000 1.478 138 H HN 0.676 nan 8.280 nan 0.000 0.508 139 Y N 4.868 125.357 120.300 0.315 0.000 2.313 139 Y HA 0.222 4.778 4.550 0.010 0.000 0.332 139 Y C -0.688 175.323 175.900 0.185 0.000 1.071 139 Y CA -0.435 57.710 58.100 0.075 0.000 1.169 139 Y CB 0.866 39.138 38.460 -0.312 0.000 1.192 139 Y HN 0.639 nan 8.280 nan 0.000 0.487 140 D N 3.775 123.895 120.400 -0.467 0.000 2.344 140 D HA 0.091 4.737 4.640 0.010 0.000 0.239 140 D C 0.489 176.366 176.300 -0.705 0.000 1.064 140 D CA 0.006 53.827 54.000 -0.298 0.000 0.829 140 D CB 1.904 42.753 40.800 0.082 0.000 1.129 140 D HN 0.775 nan 8.370 nan 0.000 0.506 141 S N 3.491 118.998 115.700 -0.323 0.000 2.428 141 S HA -0.090 4.386 4.470 0.010 0.000 0.230 141 S C 1.992 176.572 174.600 -0.033 0.000 1.014 141 S CA 0.367 58.521 58.200 -0.077 0.000 0.957 141 S CB -0.131 63.169 63.200 0.166 0.000 0.784 141 S HN 0.629 nan 8.310 nan 0.000 0.499 142 I N 1.810 122.349 120.570 -0.052 0.000 2.277 142 I HA -0.073 4.103 4.170 0.010 0.000 0.243 142 I C 1.864 177.971 176.117 -0.016 0.000 1.094 142 I CA 1.251 62.539 61.300 -0.019 0.000 1.393 142 I CB -0.322 37.662 38.000 -0.027 0.000 1.078 142 I HN 0.204 nan 8.210 nan 0.000 0.417 143 D N 0.258 120.642 120.400 -0.027 0.000 2.224 143 D HA -0.148 4.498 4.640 0.010 0.000 0.205 143 D C 0.575 176.865 176.300 -0.017 0.000 0.965 143 D CA 0.967 54.981 54.000 0.022 0.000 0.852 143 D CB -0.360 40.529 40.800 0.148 0.000 0.947 143 D HN 0.202 nan 8.370 nan 0.000 0.494 144 D N 0.171 120.498 120.400 -0.122 0.000 2.699 144 D HA -0.180 4.466 4.640 0.010 0.000 0.239 144 D C -0.866 175.415 176.300 -0.032 0.000 1.136 144 D CA 0.544 54.510 54.000 -0.057 0.000 0.668 144 D CB -0.384 40.487 40.800 0.119 0.000 1.060 144 D HN 0.054 nan 8.370 nan 0.000 0.429 145 R N 0.133 120.482 120.500 -0.252 0.000 2.744 145 R HA 0.501 4.847 4.340 0.010 0.000 0.279 145 R C -0.532 175.638 176.300 -0.216 0.000 0.977 145 R CA -0.685 55.311 56.100 -0.174 0.000 0.906 145 R CB 0.731 30.808 30.300 -0.370 0.000 1.197 145 R HN 0.009 nan 8.270 nan 0.000 0.463 146 F N 2.158 122.114 119.950 0.010 0.000 2.334 146 F HA 0.353 4.886 4.527 0.010 0.000 0.367 146 F C -0.011 175.757 175.800 -0.053 0.000 1.115 146 F CA -0.575 57.514 58.000 0.148 0.000 1.116 146 F CB 0.556 39.646 39.000 0.150 0.000 1.230 146 F HN 0.281 nan 8.300 nan 0.000 0.484 147 Y N 2.562 123.035 120.300 0.288 0.000 2.383 147 Y HA 0.473 5.029 4.550 0.010 0.000 0.344 147 Y C -0.026 175.894 175.900 0.033 0.000 0.986 147 Y CA -0.786 57.331 58.100 0.029 0.000 1.175 147 Y CB 0.889 39.249 38.460 -0.168 0.000 1.152 147 Y HN 0.196 nan 8.280 nan 0.000 0.511 148 V N 5.584 125.480 119.914 -0.030 0.000 2.370 148 V HA 0.322 4.448 4.120 0.010 0.000 0.283 148 V C -0.728 175.263 176.094 -0.172 0.000 1.023 148 V CA -0.978 61.336 62.300 0.024 0.000 0.857 148 V CB 0.599 32.423 31.823 0.001 0.000 0.985 148 V HN 0.445 nan 8.190 nan 0.000 0.443 149 F N 3.038 123.066 119.950 0.129 0.000 2.375 149 F HA 0.505 5.039 4.527 0.012 0.000 0.361 149 F C 0.088 176.017 175.800 0.214 0.000 1.117 149 F CA -0.741 57.399 58.000 0.234 0.000 1.037 149 F CB 1.317 40.406 39.000 0.148 0.000 1.192 149 F HN 0.411 nan 8.300 nan 0.000 0.452 150 D N 3.780 124.400 120.400 0.367 0.000 2.408 150 D HA 0.299 4.945 4.640 0.010 0.000 0.243 150 D C -1.357 175.177 176.300 0.390 0.000 1.075 150 D CA -0.544 53.667 54.000 0.351 0.000 0.832 150 D CB 1.614 42.638 40.800 0.373 0.000 1.162 150 D HN 0.360 nan 8.370 nan 0.000 0.515 151 L N 5.125 126.556 121.223 0.346 0.000 2.260 151 L HA 0.315 4.661 4.340 0.010 0.000 0.289 151 L C 0.257 177.235 176.870 0.180 0.000 1.057 151 L CA 0.010 55.008 54.840 0.263 0.000 0.811 151 L CB 0.696 42.873 42.059 0.196 0.000 1.184 151 L HN 0.599 nan 8.230 nan 0.000 0.429 152 L N 3.761 125.062 121.223 0.131 0.000 2.416 152 L HA 0.237 4.583 4.340 0.010 0.000 0.216 152 L C 0.097 176.965 176.870 -0.003 0.000 1.098 152 L CA 0.136 54.989 54.840 0.021 0.000 0.840 152 L CB -0.228 41.855 42.059 0.040 0.000 0.981 152 L HN 0.610 nan 8.230 nan 0.000 0.462 153 N N 0.196 118.917 118.700 0.035 0.000 2.399 153 N HA 0.343 5.089 4.740 0.010 0.000 0.284 153 N C -1.086 174.430 175.510 0.009 0.000 1.025 153 N CA 0.093 53.151 53.050 0.014 0.000 0.885 153 N CB 2.357 40.856 38.487 0.020 0.000 1.339 153 N HN -0.131 nan 8.380 nan 0.000 0.487 154 S N 1.515 117.205 115.700 -0.017 0.000 2.579 154 S HA 0.544 5.020 4.470 0.010 0.000 0.272 154 S C -2.072 172.459 174.600 -0.115 0.000 1.141 154 S CA -1.330 56.839 58.200 -0.052 0.000 0.843 154 S CB 1.628 64.826 63.200 -0.002 0.000 1.122 154 S HN 0.210 nan 8.310 nan 0.000 0.468 155 P HA -0.041 nan 4.420 nan 0.000 0.223 155 P C 0.238 177.377 177.300 -0.268 0.000 1.144 155 P CA 1.142 64.052 63.100 -0.317 0.000 0.783 155 P CB -0.180 31.219 31.700 -0.501 0.000 0.771 156 Y N -0.050 120.257 120.300 0.013 0.000 2.468 156 Y HA 0.521 5.075 4.550 0.007 0.000 0.268 156 Y C 1.489 177.373 175.900 -0.026 0.000 1.177 156 Y CA -0.224 57.874 58.100 -0.004 0.000 1.265 156 Y CB -0.098 38.358 38.460 -0.007 0.000 1.103 156 Y HN -0.037 nan 8.280 nan 0.000 0.522 157 G N 0.267 109.107 108.800 0.067 0.000 2.306 157 G HA2 -0.037 3.930 3.960 0.010 0.000 0.340 157 G HA3 -0.037 3.930 3.960 0.010 0.000 0.340 157 G C -1.596 173.296 174.900 -0.013 0.000 1.630 157 G CA -1.313 43.800 45.100 0.021 0.000 0.937 157 G HN -0.028 nan 8.290 nan 0.000 0.693 158 N N 0.008 118.695 118.700 -0.022 0.000 2.438 158 N HA 0.677 5.423 4.740 0.010 0.000 0.282 158 N C 0.487 175.959 175.510 -0.064 0.000 1.037 158 N CA -0.138 52.890 53.050 -0.037 0.000 0.942 158 N CB 2.122 40.597 38.487 -0.021 0.000 1.136 158 N HN 1.192 nan 8.380 nan 0.000 0.481 159 V N -1.167 118.674 119.914 -0.121 0.000 3.126 159 V HA 0.619 4.746 4.120 0.010 0.000 0.314 159 V C 0.065 176.072 176.094 -0.146 0.000 1.138 159 V CA -0.938 61.249 62.300 -0.188 0.000 1.034 159 V CB 2.171 33.722 31.823 -0.453 0.000 1.075 159 V HN 0.338 nan 8.190 nan 0.000 0.442 160 E N 0.427 120.579 120.200 -0.081 0.000 2.314 160 E HA 0.381 4.737 4.350 0.010 0.000 0.262 160 E C -0.290 176.381 176.600 0.118 0.000 1.093 160 E CA -0.482 55.931 56.400 0.022 0.000 0.908 160 E CB 0.937 30.668 29.700 0.051 0.000 1.091 160 E HN 0.804 nan 8.360 nan 0.000 0.425 161 E N 0.545 120.857 120.200 0.187 0.000 2.415 161 E HA -0.063 4.293 4.350 0.010 0.000 0.262 161 E C -0.436 176.369 176.600 0.341 0.000 1.038 161 E CA -0.002 56.608 56.400 0.350 0.000 0.921 161 E CB 0.507 30.383 29.700 0.294 0.000 0.950 161 E HN 0.321 nan 8.360 nan 0.000 0.438 162 W N 2.804 124.192 121.300 0.147 0.000 2.181 162 W HA 0.030 4.697 4.660 0.011 0.000 0.335 162 W C -0.083 176.228 176.519 -0.346 0.000 1.310 162 W CA -0.073 57.163 57.345 -0.182 0.000 1.226 162 W CB 0.767 30.012 29.460 -0.358 0.000 1.155 162 W HN 0.206 nan 8.180 nan 0.000 0.565 163 S N 7.002 122.154 115.700 -0.915 0.000 2.438 163 S HA 0.204 4.680 4.470 0.010 0.000 0.316 163 S C 0.702 174.415 174.600 -1.478 0.000 1.084 163 S CA -0.764 56.887 58.200 -0.915 0.000 1.107 163 S CB 0.670 63.579 63.200 -0.485 0.000 0.981 163 S HN 0.694 nan 8.310 nan 0.000 0.466 164 I N 4.394 124.130 120.570 -1.389 0.000 2.361 164 I HA -0.112 4.064 4.170 0.010 0.000 0.251 164 I C 1.765 177.547 176.117 -0.558 0.000 1.133 164 I CA 1.502 62.123 61.300 -1.131 0.000 1.413 164 I CB 0.125 37.795 38.000 -0.548 0.000 1.073 164 I HN 0.713 nan 8.210 nan 0.000 0.424 165 E N 0.835 120.776 120.200 -0.431 0.000 2.051 165 E HA -0.207 4.150 4.350 0.010 0.000 0.192 165 E C 2.065 178.522 176.600 -0.239 0.000 0.991 165 E CA 1.696 57.939 56.400 -0.261 0.000 0.799 165 E CB -0.268 29.311 29.700 -0.201 0.000 0.748 165 E HN 0.506 nan 8.360 nan 0.000 0.449 166 I N 0.752 121.147 120.570 -0.291 0.000 2.315 166 I HA -0.245 3.932 4.170 0.010 0.000 0.248 166 I C 2.305 178.309 176.117 -0.189 0.000 1.117 166 I CA 0.927 62.097 61.300 -0.217 0.000 1.404 166 I CB -0.299 37.573 38.000 -0.213 0.000 1.071 166 I HN 0.097 nan 8.210 nan 0.000 0.419 167 A N 0.786 123.436 122.820 -0.283 0.000 1.940 167 A HA -0.190 4.136 4.320 0.010 0.000 0.219 167 A C 2.509 180.072 177.584 -0.034 0.000 1.176 167 A CA 1.959 53.936 52.037 -0.099 0.000 0.631 167 A CB -0.772 18.214 19.000 -0.024 0.000 0.814 167 A HN 0.437 nan 8.150 nan 0.000 0.446 168 A N -0.556 122.212 122.820 -0.088 0.000 2.014 168 A HA 0.048 4.374 4.320 0.010 0.000 0.218 168 A C 1.320 178.880 177.584 -0.041 0.000 1.163 168 A CA 0.730 52.735 52.037 -0.054 0.000 0.652 168 A CB -0.199 18.757 19.000 -0.074 0.000 0.808 168 A HN 0.515 nan 8.150 nan 0.000 0.449 169 K N -0.195 120.173 120.400 -0.054 0.000 2.380 169 K HA 0.267 4.593 4.320 0.010 0.000 0.267 169 K C -0.591 176.000 176.600 -0.016 0.000 0.990 169 K CA -0.544 55.719 56.287 -0.039 0.000 0.946 169 K CB 0.281 32.751 32.500 -0.050 0.000 0.937 169 K HN 0.166 nan 8.250 nan 0.000 0.491 170 L N 2.648 123.865 121.223 -0.011 0.000 2.499 170 L HA -0.113 4.233 4.340 0.010 0.000 0.281 170 L C 1.807 178.683 176.870 0.010 0.000 1.234 170 L CA 0.816 55.657 54.840 0.001 0.000 0.839 170 L CB 0.236 42.292 42.059 -0.003 0.000 1.104 170 L HN 0.620 nan 8.230 nan 0.000 0.500 171 Q N 1.113 120.928 119.800 0.025 0.000 2.226 171 Q HA -0.204 4.142 4.340 0.010 0.000 0.204 171 Q C 1.106 177.119 176.000 0.021 0.000 0.975 171 Q CA 1.464 57.288 55.803 0.035 0.000 0.866 171 Q CB 0.123 28.895 28.738 0.057 0.000 0.915 171 Q HN 0.639 nan 8.270 nan 0.000 0.440 172 E N 0.386 120.593 120.200 0.012 0.000 2.482 172 E HA -0.086 4.270 4.350 0.010 0.000 0.196 172 E C 1.019 177.619 176.600 -0.001 0.000 1.047 172 E CA 0.480 56.883 56.400 0.006 0.000 0.869 172 E CB 0.179 29.881 29.700 0.003 0.000 0.836 172 E HN 0.320 nan 8.360 nan 0.000 0.520 173 Q N -0.943 118.855 119.800 -0.004 0.000 2.282 173 Q HA 0.200 4.546 4.340 0.010 0.000 0.206 173 Q C 0.592 176.583 176.000 -0.014 0.000 0.878 173 Q CA 0.329 56.125 55.803 -0.012 0.000 0.944 173 Q CB 1.005 29.732 28.738 -0.019 0.000 1.100 173 Q HN 0.336 nan 8.270 nan 0.000 0.509 174 G N 0.276 109.072 108.800 -0.006 0.000 2.141 174 G HA2 -0.220 3.746 3.960 0.010 0.000 0.242 174 G HA3 -0.220 3.746 3.960 0.010 0.000 0.242 174 G C 0.326 175.218 174.900 -0.013 0.000 0.982 174 G CA -0.224 44.872 45.100 -0.007 0.000 0.662 174 G HN 0.501 nan 8.290 nan 0.000 0.527 175 G N -1.007 107.788 108.800 -0.010 0.000 2.532 175 G HA2 0.528 4.494 3.960 0.010 0.000 0.291 175 G HA3 0.528 4.494 3.960 0.010 0.000 0.291 175 G C 0.286 175.199 174.900 0.023 0.000 1.349 175 G CA 0.427 45.519 45.100 -0.014 0.000 1.038 175 G HN 0.065 nan 8.290 nan 0.000 0.518 176 D N -0.934 119.491 120.400 0.043 0.000 2.433 176 D HA 0.082 4.728 4.640 0.010 0.000 0.211 176 D C 0.286 176.678 176.300 0.152 0.000 1.114 176 D CA 0.023 54.096 54.000 0.122 0.000 0.837 176 D CB 0.576 41.454 40.800 0.129 0.000 0.984 176 D HN 0.625 nan 8.370 nan 0.000 0.505 177 E N 0.585 120.834 120.200 0.081 0.000 2.297 177 E HA -0.157 4.199 4.350 0.010 0.000 0.228 177 E C -0.598 176.040 176.600 0.063 0.000 1.213 177 E CA -0.162 56.273 56.400 0.058 0.000 0.712 177 E CB -0.931 28.801 29.700 0.053 0.000 1.202 177 E HN 0.038 nan 8.360 nan 0.000 0.376 178 V N 1.352 121.303 119.914 0.063 0.000 2.485 178 V HA 0.060 4.186 4.120 0.010 0.000 0.287 178 V C -1.664 174.418 176.094 -0.021 0.000 1.022 178 V CA -0.828 61.491 62.300 0.031 0.000 1.067 178 V CB 0.401 32.258 31.823 0.057 0.000 0.967 178 V HN 0.172 nan 8.190 nan 0.000 0.479 179 P HA -0.024 nan 4.420 nan 0.000 0.260 179 P C 0.978 178.227 177.300 -0.085 0.000 1.172 179 P CA 0.522 63.601 63.100 -0.035 0.000 0.760 179 P CB 0.552 32.265 31.700 0.022 0.000 0.773 180 S N 3.143 118.816 115.700 -0.044 0.000 2.402 180 S HA -0.187 4.289 4.470 0.010 0.000 0.233 180 S C 1.555 176.124 174.600 -0.052 0.000 1.030 180 S CA 1.421 59.595 58.200 -0.043 0.000 1.003 180 S CB -0.527 62.659 63.200 -0.023 0.000 0.813 180 S HN 0.610 nan 8.310 nan 0.000 0.477 181 E N 1.367 121.535 120.200 -0.054 0.000 2.409 181 E HA -0.119 4.237 4.350 0.010 0.000 0.198 181 E C 1.726 178.271 176.600 -0.091 0.000 1.024 181 E CA 1.074 57.449 56.400 -0.041 0.000 0.861 181 E CB -0.468 29.239 29.700 0.011 0.000 0.788 181 E HN 0.882 nan 8.360 nan 0.000 0.521 182 I N -3.138 117.303 120.570 -0.215 0.000 4.139 182 I HA 0.118 4.294 4.170 0.010 0.000 0.335 182 I C 1.786 177.806 176.117 -0.161 0.000 1.327 182 I CA -0.435 60.710 61.300 -0.258 0.000 1.112 182 I CB 0.045 37.604 38.000 -0.735 0.000 1.058 182 I HN -0.232 nan 8.210 nan 0.000 0.396 183 I N 2.800 123.305 120.570 -0.108 0.000 2.151 183 I HA -0.257 3.919 4.170 0.010 0.000 0.243 183 I C 1.592 177.714 176.117 0.007 0.000 1.080 183 I CA 1.785 63.061 61.300 -0.040 0.000 1.339 183 I CB -1.028 36.953 38.000 -0.032 0.000 1.039 183 I HN 0.377 nan 8.210 nan 0.000 0.409 184 D N 0.596 121.003 120.400 0.012 0.000 2.363 184 D HA -0.060 4.586 4.640 0.010 0.000 0.226 184 D C 1.550 177.886 176.300 0.060 0.000 1.020 184 D CA 0.525 54.545 54.000 0.033 0.000 0.892 184 D CB 0.035 40.852 40.800 0.028 0.000 0.900 184 D HN 0.433 nan 8.370 nan 0.000 0.531 185 K N 0.049 120.503 120.400 0.089 0.000 2.358 185 K HA 0.242 4.568 4.320 0.010 0.000 0.200 185 K C 0.469 177.188 176.600 0.197 0.000 1.030 185 K CA -0.102 56.286 56.287 0.167 0.000 1.097 185 K CB 1.301 33.984 32.500 0.305 0.000 0.862 185 K HN 0.055 nan 8.250 nan 0.000 0.534 186 I N 2.061 122.705 120.570 0.124 0.000 2.342 186 I HA 0.204 4.381 4.170 0.010 0.000 0.291 186 I C -0.119 176.038 176.117 0.066 0.000 1.010 186 I CA -0.483 60.886 61.300 0.114 0.000 1.308 186 I CB 1.013 39.082 38.000 0.115 0.000 1.400 186 I HN -0.098 nan 8.210 nan 0.000 0.488 187 I N 7.189 127.743 120.570 -0.028 0.000 2.359 187 I HA 0.181 4.358 4.170 0.010 0.000 0.284 187 I C -0.922 175.207 176.117 0.019 0.000 1.018 187 I CA -0.706 60.568 61.300 -0.043 0.000 1.173 187 I CB 0.859 38.724 38.000 -0.225 0.000 1.326 187 I HN 0.466 nan 8.210 nan 0.000 0.462 188 Y N 8.008 128.298 120.300 -0.017 0.000 2.341 188 Y HA 0.599 5.155 4.550 0.010 0.000 0.340 188 Y C -0.673 175.183 175.900 -0.074 0.000 0.997 188 Y CA -0.826 57.267 58.100 -0.011 0.000 1.149 188 Y CB 1.133 39.712 38.460 0.199 0.000 1.171 188 Y HN 0.471 nan 8.280 nan 0.000 0.494 189 M N 10.358 129.507 119.600 -0.753 0.000 2.018 189 M HA 0.356 4.843 4.480 0.010 0.000 0.311 189 M C -2.647 173.051 176.300 -1.004 0.000 0.928 189 M CA -1.853 52.962 55.300 -0.808 0.000 0.911 189 M CB 1.713 33.942 32.600 -0.618 0.000 1.447 189 M HN 0.428 nan 8.290 nan 0.000 0.407 190 P HA 0.487 nan 4.420 nan 0.000 0.281 190 P C -1.299 175.607 177.300 -0.656 0.000 1.249 190 P CA -0.222 62.541 63.100 -0.561 0.000 0.810 190 P CB 0.850 32.412 31.700 -0.229 0.000 1.008 191 F N 0.444 120.399 119.950 0.009 0.000 2.565 191 F HA 0.224 4.758 4.527 0.012 0.000 0.313 191 F C 1.421 177.249 175.800 0.047 0.000 1.091 191 F CA -0.463 57.563 58.000 0.042 0.000 0.915 191 F CB 1.689 40.736 39.000 0.077 0.000 1.208 191 F HN 0.259 nan 8.300 nan 0.000 0.453 192 D N 0.007 120.537 120.400 0.216 0.000 2.323 192 D HA -0.014 4.633 4.640 0.010 0.000 0.209 192 D C -0.318 176.056 176.300 0.123 0.000 0.973 192 D CA 0.683 54.761 54.000 0.130 0.000 0.874 192 D CB -0.288 40.566 40.800 0.091 0.000 0.930 192 D HN 0.646 nan 8.370 nan 0.000 0.521 193 N N -1.617 117.181 118.700 0.162 0.000 2.710 193 N HA 0.039 4.786 4.740 0.010 0.000 0.257 193 N C 0.043 175.604 175.510 0.086 0.000 1.327 193 N CA -0.818 52.292 53.050 0.101 0.000 0.861 193 N CB 1.513 40.040 38.487 0.066 0.000 1.532 193 N HN -0.208 nan 8.380 nan 0.000 0.499 194 E N 0.406 120.630 120.200 0.040 0.000 2.150 194 E HA -0.135 4.221 4.350 0.010 0.000 0.193 194 E C 0.721 177.330 176.600 0.013 0.000 0.985 194 E CA 1.092 57.498 56.400 0.011 0.000 0.814 194 E CB 0.094 29.795 29.700 0.002 0.000 0.752 194 E HN 0.586 nan 8.360 nan 0.000 0.466 195 K N 0.329 120.755 120.400 0.042 0.000 2.057 195 K HA -0.195 4.131 4.320 0.010 0.000 0.207 195 K C 2.154 178.867 176.600 0.188 0.000 1.049 195 K CA 1.483 57.876 56.287 0.177 0.000 0.931 195 K CB -0.070 32.506 32.500 0.126 0.000 0.714 195 K HN -0.007 nan 8.250 nan 0.000 0.440 196 E N 1.284 121.537 120.200 0.089 0.000 2.072 196 E HA -0.131 4.225 4.350 0.010 0.000 0.191 196 E C 1.828 178.294 176.600 -0.224 0.000 0.985 196 E CA 0.676 57.112 56.400 0.060 0.000 0.801 196 E CB -0.124 29.697 29.700 0.202 0.000 0.750 196 E HN 0.201 nan 8.360 nan 0.000 0.452 197 L N -0.153 120.771 121.223 -0.500 0.000 1.989 197 L HA -0.198 4.149 4.340 0.010 0.000 0.211 197 L C 2.131 178.694 176.870 -0.512 0.000 1.071 197 L CA 1.398 55.571 54.840 -1.112 0.000 0.749 197 L CB -0.177 41.518 42.059 -0.607 0.000 0.890 197 L HN 0.215 nan 8.230 nan 0.000 0.431 198 L N -1.072 120.032 121.223 -0.200 0.000 2.093 198 L HA -0.225 4.121 4.340 0.010 0.000 0.208 198 L C 2.659 179.475 176.870 -0.090 0.000 1.085 198 L CA 1.315 56.117 54.840 -0.065 0.000 0.755 198 L CB -0.389 41.741 42.059 0.118 0.000 0.904 198 L HN 0.356 nan 8.230 nan 0.000 0.435 199 M N -0.835 118.695 119.600 -0.117 0.000 2.086 199 M HA -0.192 4.295 4.480 0.010 0.000 0.261 199 M C 2.288 178.545 176.300 -0.071 0.000 1.067 199 M CA 1.535 56.727 55.300 -0.180 0.000 1.116 199 M CB -0.306 32.208 32.600 -0.144 0.000 1.348 199 M HN 0.165 nan 8.290 nan 0.000 0.407 200 E N -0.345 119.851 120.200 -0.007 0.000 2.072 200 E HA -0.201 4.155 4.350 0.010 0.000 0.191 200 E C 1.748 178.462 176.600 0.190 0.000 0.985 200 E CA 1.322 57.813 56.400 0.152 0.000 0.801 200 E CB -0.595 29.309 29.700 0.340 0.000 0.750 200 E HN 0.526 nan 8.360 nan 0.000 0.452 201 Y N 1.380 121.595 120.300 -0.142 0.000 2.165 201 Y HA -0.187 4.369 4.550 0.010 0.000 0.286 201 Y C 2.218 178.098 175.900 -0.033 0.000 1.155 201 Y CA 1.355 59.254 58.100 -0.336 0.000 1.164 201 Y CB -0.381 37.685 38.460 -0.655 0.000 0.978 201 Y HN -0.042 nan 8.280 nan 0.000 0.513 202 L N -0.208 120.941 121.223 -0.123 0.000 2.093 202 L HA -0.249 4.097 4.340 0.010 0.000 0.208 202 L C 2.058 178.882 176.870 -0.077 0.000 1.085 202 L CA 1.782 56.517 54.840 -0.177 0.000 0.755 202 L CB -0.639 41.295 42.059 -0.207 0.000 0.904 202 L HN 0.319 nan 8.230 nan 0.000 0.435 203 N N -0.336 118.349 118.700 -0.024 0.000 2.084 203 N HA -0.243 4.503 4.740 0.010 0.000 0.190 203 N C 1.825 177.350 175.510 0.024 0.000 1.030 203 N CA 1.257 54.312 53.050 0.009 0.000 0.849 203 N CB -0.199 38.317 38.487 0.048 0.000 1.012 203 N HN 0.194 nan 8.380 nan 0.000 0.423 204 F N 1.342 121.241 119.950 -0.084 0.000 2.095 204 F HA -0.207 4.326 4.527 0.010 0.000 0.298 204 F C 2.243 177.895 175.800 -0.247 0.000 1.104 204 F CA 1.298 59.211 58.000 -0.144 0.000 1.232 204 F CB -0.363 38.614 39.000 -0.037 0.000 0.987 204 F HN 0.204 nan 8.300 nan 0.000 0.475 205 W N 1.945 122.905 121.300 -0.567 0.000 2.338 205 W HA -0.279 4.389 4.660 0.013 0.000 0.304 205 W C 2.397 178.636 176.519 -0.465 0.000 1.212 205 W CA 2.269 59.223 57.345 -0.652 0.000 1.264 205 W CB -0.907 28.206 29.460 -0.579 0.000 1.142 205 W HN 0.315 nan 8.180 nan 0.000 0.512 206 Q N -0.132 119.634 119.800 -0.055 0.000 2.096 206 Q HA -0.258 4.088 4.340 0.010 0.000 0.204 206 Q C 2.225 178.112 176.000 -0.187 0.000 0.982 206 Q CA 1.679 57.434 55.803 -0.078 0.000 0.850 206 Q CB -0.244 28.466 28.738 -0.046 0.000 0.901 206 Q HN 0.206 nan 8.270 nan 0.000 0.422 207 Q N 0.358 120.007 119.800 -0.253 0.000 2.123 207 Q HA -0.032 4.314 4.340 0.010 0.000 0.199 207 Q C 0.227 176.009 176.000 -0.363 0.000 0.966 207 Q CA 1.226 56.871 55.803 -0.264 0.000 0.845 207 Q CB 0.334 28.931 28.738 -0.236 0.000 0.907 207 Q HN 0.265 nan 8.270 nan 0.000 0.439 208 K N 1.030 121.079 120.400 -0.585 0.000 2.877 208 K HA 0.263 4.589 4.320 0.010 0.000 0.176 208 K C -0.933 175.252 176.600 -0.692 0.000 1.075 208 K CA -0.102 55.812 56.287 -0.621 0.000 0.939 208 K CB 1.134 33.139 32.500 -0.826 0.000 1.237 208 K HN -0.147 nan 8.250 nan 0.000 0.607 209 T N 3.335 117.559 114.554 -0.549 0.000 2.769 209 T HA 0.118 4.475 4.350 0.010 0.000 0.293 209 T C -2.288 172.091 174.700 -0.534 0.000 0.931 209 T CA -1.232 60.480 62.100 -0.647 0.000 1.139 209 T CB 0.236 68.882 68.868 -0.370 0.000 0.881 209 T HN 0.109 nan 8.240 nan 0.000 0.532 210 P HA 0.089 nan 4.420 nan 0.000 0.266 210 P C 0.493 177.670 177.300 -0.204 0.000 1.195 210 P CA -0.141 62.723 63.100 -0.394 0.000 0.768 210 P CB 0.631 32.053 31.700 -0.462 0.000 0.838 211 V N 3.164 123.022 119.914 -0.093 0.000 2.490 211 V HA 0.047 4.173 4.120 0.010 0.000 0.238 211 V C 0.998 177.106 176.094 0.023 0.000 1.056 211 V CA 1.119 63.410 62.300 -0.014 0.000 1.075 211 V CB -0.155 31.684 31.823 0.026 0.000 0.746 211 V HN 0.404 nan 8.190 nan 0.000 0.479 212 I N 2.126 122.720 120.570 0.040 0.000 2.315 212 I HA 0.390 4.566 4.170 0.010 0.000 0.291 212 I C -0.639 175.532 176.117 0.089 0.000 1.006 212 I CA -0.395 60.950 61.300 0.076 0.000 1.265 212 I CB 1.104 39.163 38.000 0.098 0.000 1.387 212 I HN 0.090 nan 8.210 nan 0.000 0.475 213 L N 6.823 128.122 121.223 0.127 0.000 2.305 213 L HA 0.650 4.996 4.340 0.010 0.000 0.284 213 L C -0.054 176.976 176.870 0.267 0.000 1.013 213 L CA 0.442 55.391 54.840 0.182 0.000 0.819 213 L CB 1.662 43.845 42.059 0.207 0.000 1.227 213 L HN 0.732 nan 8.230 nan 0.000 0.417 214 T N 2.506 117.253 114.554 0.321 0.000 2.669 214 T HA 0.971 5.327 4.350 0.010 0.000 0.283 214 T C -0.466 174.465 174.700 0.386 0.000 1.019 214 T CA -0.040 62.276 62.100 0.359 0.000 1.039 214 T CB 1.424 70.531 68.868 0.399 0.000 1.374 214 T HN 1.103 nan 8.240 nan 0.000 0.523 215 G N -0.191 108.836 108.800 0.378 0.000 2.339 215 G HA2 0.185 4.151 3.960 0.010 0.000 0.275 215 G HA3 0.185 4.151 3.960 0.010 0.000 0.275 215 G C -2.102 173.040 174.900 0.403 0.000 1.323 215 G CA -0.483 44.811 45.100 0.324 0.000 0.927 215 G HN 0.707 nan 8.290 nan 0.000 0.486 216 W N 2.010 123.373 121.300 0.105 0.000 2.362 216 W HA 0.469 5.136 4.660 0.010 0.000 0.316 216 W C 0.364 176.939 176.519 0.092 0.000 1.024 216 W CA -0.185 57.228 57.345 0.114 0.000 1.270 216 W CB 0.813 30.318 29.460 0.074 0.000 1.273 216 W HN 0.725 nan 8.180 nan 0.000 0.424 217 N N 2.770 121.389 118.700 -0.135 0.000 2.741 217 N HA -0.233 4.513 4.740 0.010 0.000 0.250 217 N C 1.025 176.599 175.510 0.106 0.000 1.115 217 N CA 1.504 54.535 53.050 -0.031 0.000 0.724 217 N CB -1.610 36.908 38.487 0.051 0.000 1.090 217 N HN 0.431 nan 8.380 nan 0.000 0.558 218 V N -2.087 117.882 119.914 0.093 0.000 2.407 218 V HA -0.172 3.955 4.120 0.010 0.000 0.248 218 V C 2.065 178.252 176.094 0.156 0.000 1.055 218 V CA 2.350 64.720 62.300 0.116 0.000 1.049 218 V CB -0.366 31.563 31.823 0.176 0.000 0.662 218 V HN 0.364 nan 8.190 nan 0.000 0.455 219 E N 1.367 121.630 120.200 0.105 0.000 2.106 219 E HA -0.173 4.183 4.350 0.010 0.000 0.192 219 E C 2.256 178.895 176.600 0.065 0.000 0.984 219 E CA 1.548 57.990 56.400 0.071 0.000 0.806 219 E CB -0.079 29.621 29.700 -0.000 0.000 0.750 219 E HN 0.883 nan 8.360 nan 0.000 0.458 220 S N -1.303 114.444 115.700 0.079 0.000 2.470 220 S HA 0.021 4.497 4.470 0.010 0.000 0.222 220 S C 1.454 176.211 174.600 0.261 0.000 1.024 220 S CA -0.047 58.224 58.200 0.117 0.000 0.931 220 S CB 0.054 63.296 63.200 0.069 0.000 0.791 220 S HN 0.369 nan 8.310 nan 0.000 0.513 221 F N 1.158 121.176 119.950 0.114 0.000 2.362 221 F HA 0.591 5.123 4.527 0.007 0.000 0.264 221 F C 2.392 178.292 175.800 0.167 0.000 0.905 221 F CA 0.380 58.480 58.000 0.167 0.000 1.142 221 F CB -0.474 38.631 39.000 0.175 0.000 1.250 221 F HN 0.161 nan 8.300 nan 0.000 0.771 222 A N 1.305 124.142 122.820 0.028 0.000 1.865 222 A HA -0.155 4.171 4.320 0.010 0.000 0.217 222 A C 2.083 179.739 177.584 0.118 0.000 1.191 222 A CA 2.287 54.262 52.037 -0.103 0.000 0.623 222 A CB -1.365 17.460 19.000 -0.293 0.000 0.826 222 A HN 0.523 nan 8.150 nan 0.000 0.444 223 I N -0.065 120.658 120.570 0.255 0.000 2.142 223 I HA -0.161 4.015 4.170 0.010 0.000 0.240 223 I C -0.584 175.626 176.117 0.154 0.000 1.078 223 I CA 1.466 62.940 61.300 0.290 0.000 1.343 223 I CB -1.090 37.073 38.000 0.271 0.000 1.046 223 I HN 0.216 nan 8.210 nan 0.000 0.405 224 P HA -0.201 nan 4.420 nan 0.000 0.217 224 P C 1.522 178.838 177.300 0.028 0.000 1.150 224 P CA 1.488 64.624 63.100 0.058 0.000 0.832 224 P CB -0.101 31.627 31.700 0.048 0.000 0.787 225 Y N 0.184 120.373 120.300 -0.184 0.000 2.133 225 Y HA -0.194 4.364 4.550 0.014 0.000 0.287 225 Y C 2.254 178.087 175.900 -0.110 0.000 1.134 225 Y CA 1.331 59.278 58.100 -0.255 0.000 1.133 225 Y CB -0.974 37.094 38.460 -0.653 0.000 0.987 225 Y HN -0.307 nan 8.280 nan 0.000 0.502 226 V N -0.488 119.517 119.914 0.153 0.000 2.287 226 V HA -0.357 3.769 4.120 0.010 0.000 0.248 226 V C 2.035 178.153 176.094 0.039 0.000 1.053 226 V CA 2.316 64.687 62.300 0.119 0.000 1.027 226 V CB -1.145 30.771 31.823 0.156 0.000 0.646 226 V HN 0.567 nan 8.190 nan 0.000 0.447 227 Y N 1.636 121.902 120.300 -0.056 0.000 2.097 227 Y HA -0.272 4.282 4.550 0.006 0.000 0.282 227 Y C 2.608 178.452 175.900 -0.093 0.000 1.152 227 Y CA 2.283 60.334 58.100 -0.082 0.000 1.136 227 Y CB -0.334 38.088 38.460 -0.064 0.000 0.975 227 Y HN 0.267 nan 8.280 nan 0.000 0.498 228 N N 0.100 118.796 118.700 -0.006 0.000 2.244 228 N HA -0.154 4.592 4.740 0.010 0.000 0.183 228 N C 1.935 177.303 175.510 -0.236 0.000 1.016 228 N CA 1.217 54.188 53.050 -0.132 0.000 0.866 228 N CB -0.379 38.040 38.487 -0.114 0.000 0.980 228 N HN 0.270 nan 8.380 nan 0.000 0.430 229 R N 1.303 121.648 120.500 -0.258 0.000 2.075 229 R HA 0.130 4.476 4.340 0.010 0.000 0.232 229 R C 2.103 178.323 176.300 -0.134 0.000 1.126 229 R CA 0.886 56.863 56.100 -0.205 0.000 0.963 229 R CB -0.568 29.670 30.300 -0.104 0.000 0.858 229 R HN 0.193 nan 8.270 nan 0.000 0.435 230 I N 0.431 120.938 120.570 -0.105 0.000 2.315 230 I HA -0.241 3.935 4.170 0.010 0.000 0.248 230 I C 2.401 178.477 176.117 -0.068 0.000 1.117 230 I CA 1.302 62.600 61.300 -0.003 0.000 1.404 230 I CB -0.306 37.670 38.000 -0.039 0.000 1.071 230 I HN 0.233 nan 8.210 nan 0.000 0.419 231 K N 1.112 121.364 120.400 -0.247 0.000 2.032 231 K HA -0.225 4.101 4.320 0.010 0.000 0.209 231 K C 1.956 178.461 176.600 -0.159 0.000 1.048 231 K CA 1.822 57.959 56.287 -0.250 0.000 0.927 231 K CB -0.032 32.256 32.500 -0.352 0.000 0.712 231 K HN 0.232 nan 8.250 nan 0.000 0.441 232 N N 0.820 119.419 118.700 -0.169 0.000 2.104 232 N HA -0.150 4.596 4.740 0.010 0.000 0.190 232 N C 1.849 177.246 175.510 -0.189 0.000 1.024 232 N CA 1.436 54.390 53.050 -0.160 0.000 0.853 232 N CB -0.162 38.225 38.487 -0.167 0.000 1.008 232 N HN 0.294 nan 8.380 nan 0.000 0.424 233 I N -1.311 119.105 120.570 -0.258 0.000 2.400 233 I HA -0.094 4.082 4.170 0.010 0.000 0.248 233 I C 1.045 176.823 176.117 -0.565 0.000 1.109 233 I CA 0.952 61.969 61.300 -0.472 0.000 1.425 233 I CB -0.010 37.571 38.000 -0.697 0.000 1.094 233 I HN -0.022 nan 8.210 nan 0.000 0.425 234 F N 0.023 119.908 119.950 -0.108 0.000 2.712 234 F HA 0.432 4.965 4.527 0.012 0.000 0.297 234 F C 1.141 176.881 175.800 -0.101 0.000 1.114 234 F CA 0.364 58.305 58.000 -0.098 0.000 1.305 234 F CB 0.643 39.580 39.000 -0.105 0.000 1.086 234 F HN 0.073 nan 8.300 nan 0.000 0.599 235 G N 0.697 109.518 108.800 0.034 0.000 2.541 235 G HA2 -0.188 3.778 3.960 0.010 0.000 0.686 235 G HA3 -0.188 3.778 3.960 0.010 0.000 0.686 235 G C 0.087 174.947 174.900 -0.065 0.000 1.286 235 G CA -0.229 44.858 45.100 -0.021 0.000 0.894 235 G HN 0.149 nan 8.290 nan 0.000 0.575 236 E N -0.392 119.764 120.200 -0.074 0.000 2.072 236 E HA -0.130 4.226 4.350 0.010 0.000 0.191 236 E C 2.831 179.380 176.600 -0.085 0.000 0.985 236 E CA 2.089 58.432 56.400 -0.096 0.000 0.801 236 E CB -0.119 29.560 29.700 -0.035 0.000 0.750 236 E HN 0.770 nan 8.360 nan 0.000 0.452 237 S N -0.490 115.178 115.700 -0.054 0.000 2.382 237 S HA -0.155 4.321 4.470 0.010 0.000 0.228 237 S C 2.068 176.622 174.600 -0.077 0.000 1.027 237 S CA 1.660 59.830 58.200 -0.049 0.000 0.991 237 S CB -0.638 62.539 63.200 -0.037 0.000 0.823 237 S HN 0.161 nan 8.310 nan 0.000 0.469 238 T N 2.535 117.033 114.554 -0.094 0.000 2.777 238 T HA 0.160 4.516 4.350 0.010 0.000 0.266 238 T C 2.212 176.805 174.700 -0.180 0.000 1.040 238 T CA 1.267 63.279 62.100 -0.146 0.000 1.141 238 T CB -0.783 67.986 68.868 -0.166 0.000 0.868 238 T HN 0.636 nan 8.240 nan 0.000 0.444 239 A N 1.701 124.389 122.820 -0.220 0.000 1.972 239 A HA -0.077 4.249 4.320 0.010 0.000 0.219 239 A C 2.131 179.614 177.584 -0.168 0.000 1.169 239 A CA 1.270 53.085 52.037 -0.371 0.000 0.635 239 A CB -0.376 18.107 19.000 -0.862 0.000 0.810 239 A HN 0.436 nan 8.150 nan 0.000 0.446 240 K N -0.552 119.823 120.400 -0.041 0.000 2.486 240 K HA 0.025 4.352 4.320 0.010 0.000 0.194 240 K C 1.657 178.257 176.600 0.001 0.000 1.033 240 K CA 0.289 56.630 56.287 0.090 0.000 1.004 240 K CB -0.034 32.513 32.500 0.078 0.000 0.798 240 K HN 0.401 nan 8.250 nan 0.000 0.495 241 R N 0.529 120.983 120.500 -0.077 0.000 2.285 241 R HA -0.018 4.328 4.340 0.010 0.000 0.213 241 R C 1.685 177.897 176.300 -0.146 0.000 1.068 241 R CA 0.557 56.598 56.100 -0.098 0.000 1.004 241 R CB -0.191 30.027 30.300 -0.136 0.000 0.873 241 R HN 0.174 nan 8.270 nan 0.000 0.467 242 L N 0.114 121.195 121.223 -0.235 0.000 2.362 242 L HA -0.034 4.312 4.340 0.010 0.000 0.219 242 L C 1.095 178.014 176.870 0.082 0.000 1.134 242 L CA 0.409 54.993 54.840 -0.427 0.000 0.807 242 L CB -0.049 41.740 42.059 -0.451 0.000 0.927 242 L HN -0.002 nan 8.230 nan 0.000 0.447 243 S N -0.062 115.684 115.700 0.077 0.000 2.442 243 S HA 0.297 4.773 4.470 0.010 0.000 0.297 243 S C -1.497 173.108 174.600 0.010 0.000 1.131 243 S CA -1.664 56.590 58.200 0.091 0.000 1.092 243 S CB 1.239 64.496 63.200 0.094 0.000 0.998 243 S HN -0.093 nan 8.310 nan 0.000 0.478 244 P HA -0.063 nan 4.420 nan 0.000 0.226 244 P C 0.278 177.429 177.300 -0.247 0.000 1.153 244 P CA 1.058 64.035 63.100 -0.205 0.000 0.777 244 P CB -0.091 31.404 31.700 -0.342 0.000 0.794 245 H N -0.488 118.567 119.070 -0.025 0.000 2.520 245 H HA 0.267 4.829 4.556 0.010 0.000 0.284 245 H C 0.543 175.757 175.328 -0.191 0.000 1.037 245 H CA -0.221 55.715 56.048 -0.187 0.000 1.168 245 H CB 0.132 29.645 29.762 -0.416 0.000 1.497 245 H HN -0.048 nan 8.280 nan 0.000 0.547 246 R N 0.526 121.012 120.500 -0.023 0.000 3.627 246 R HA -0.160 4.186 4.340 0.010 0.000 0.281 246 R C -0.095 176.172 176.300 -0.055 0.000 1.140 246 R CA 0.401 56.483 56.100 -0.030 0.000 0.761 246 R CB -1.893 28.384 30.300 -0.037 0.000 1.181 246 R HN 0.291 nan 8.270 nan 0.000 0.472 247 K N 1.269 121.637 120.400 -0.053 0.000 2.426 247 K HA 0.393 4.720 4.320 0.010 0.000 0.254 247 K C -0.152 176.473 176.600 0.042 0.000 0.936 247 K CA -0.049 56.149 56.287 -0.149 0.000 0.801 247 K CB 1.905 34.123 32.500 -0.472 0.000 1.139 247 K HN 0.233 nan 8.250 nan 0.000 0.424 248 T N 0.439 115.018 114.554 0.042 0.000 2.896 248 T HA 0.641 4.997 4.350 0.010 0.000 0.297 248 T C -0.739 174.012 174.700 0.084 0.000 1.108 248 T CA -0.969 61.201 62.100 0.115 0.000 1.004 248 T CB 2.380 71.218 68.868 -0.049 0.000 1.159 248 T HN 0.589 nan 8.240 nan 0.000 0.499 249 R N 1.164 121.716 120.500 0.087 0.000 2.548 249 R HA 0.576 4.922 4.340 0.010 0.000 0.280 249 R C -1.521 174.753 176.300 -0.044 0.000 1.061 249 R CA -0.731 55.404 56.100 0.058 0.000 0.915 249 R CB 2.206 32.622 30.300 0.193 0.000 1.210 249 R HN 0.648 nan 8.270 nan 0.000 0.442 250 V N 4.481 124.363 119.914 -0.053 0.000 2.485 250 V HA 0.099 4.225 4.120 0.010 0.000 0.287 250 V C 0.313 176.385 176.094 -0.036 0.000 1.022 250 V CA 0.362 62.626 62.300 -0.060 0.000 1.067 250 V CB 0.853 32.657 31.823 -0.031 0.000 0.967 250 V HN 0.608 nan 8.190 nan 0.000 0.479 251 K N 4.402 124.773 120.400 -0.049 0.000 2.274 251 K HA 0.572 4.899 4.320 0.010 0.000 0.262 251 K C -1.126 175.446 176.600 -0.047 0.000 0.961 251 K CA -0.648 55.611 56.287 -0.047 0.000 0.833 251 K CB 1.787 34.248 32.500 -0.065 0.000 1.102 251 K HN 0.474 nan 8.250 nan 0.000 0.436 252 V N 6.086 125.974 119.914 -0.044 0.000 2.385 252 V HA 0.228 4.354 4.120 0.010 0.000 0.269 252 V C 0.125 176.185 176.094 -0.058 0.000 1.043 252 V CA -0.688 61.587 62.300 -0.041 0.000 0.906 252 V CB 0.791 32.594 31.823 -0.033 0.000 0.995 252 V HN 0.653 nan 8.190 nan 0.000 0.467 253 I N 5.056 125.590 120.570 -0.059 0.000 2.304 253 I HA 0.414 4.590 4.170 0.010 0.000 0.291 253 I C 0.472 176.550 176.117 -0.065 0.000 1.018 253 I CA -0.185 61.070 61.300 -0.076 0.000 1.260 253 I CB 1.013 38.961 38.000 -0.086 0.000 1.390 253 I HN 0.675 nan 8.210 nan 0.000 0.475 254 E N 5.723 125.879 120.200 -0.075 0.000 2.204 254 E HA 0.413 4.769 4.350 0.010 0.000 0.276 254 E C -0.666 175.888 176.600 -0.077 0.000 0.974 254 E CA -0.674 55.687 56.400 -0.065 0.000 0.815 254 E CB 1.783 31.444 29.700 -0.064 0.000 1.119 254 E HN 0.639 nan 8.360 nan 0.000 0.393 255 N N 0.745 119.403 118.700 -0.070 0.000 2.831 255 N HA 0.170 4.916 4.740 0.010 0.000 0.276 255 N C 0.499 175.914 175.510 -0.158 0.000 1.416 255 N CA -0.881 52.104 53.050 -0.109 0.000 0.799 255 N CB 0.260 38.696 38.487 -0.085 0.000 1.554 255 N HN 0.490 nan 8.380 nan 0.000 0.541 256 M N -2.064 117.346 119.600 -0.316 0.000 2.358 256 M HA 0.005 4.491 4.480 0.010 0.000 0.264 256 M C 0.186 176.282 176.300 -0.340 0.000 1.064 256 M CA 1.392 56.461 55.300 -0.385 0.000 1.093 256 M CB -0.685 31.607 32.600 -0.514 0.000 1.401 256 M HN 0.545 nan 8.290 nan 0.000 0.440 257 Y N 0.928 121.219 120.300 -0.014 0.000 2.497 257 Y HA 0.568 5.123 4.550 0.008 0.000 0.265 257 Y C 1.488 177.379 175.900 -0.016 0.000 1.111 257 Y CA -0.141 57.952 58.100 -0.012 0.000 1.288 257 Y CB 0.458 38.912 38.460 -0.009 0.000 1.082 257 Y HN 0.437 nan 8.280 nan 0.000 0.536 258 G N -0.324 108.531 108.800 0.091 0.000 2.367 258 G HA2 0.368 4.335 3.960 0.010 0.000 0.272 258 G HA3 0.368 4.335 3.960 0.010 0.000 0.272 258 G C -1.450 173.461 174.900 0.019 0.000 1.271 258 G CA -0.348 44.782 45.100 0.050 0.000 0.893 258 G HN 0.195 nan 8.290 nan 0.000 0.485 259 S N -1.211 114.496 115.700 0.012 0.000 2.651 259 S HA 0.902 5.378 4.470 0.010 0.000 0.279 259 S C -0.601 174.000 174.600 0.001 0.000 1.148 259 S CA -0.261 57.936 58.200 -0.004 0.000 0.837 259 S CB 2.489 65.681 63.200 -0.014 0.000 1.138 259 S HN 1.560 nan 8.310 nan 0.000 0.478 260 R N 0.154 120.649 120.500 -0.009 0.000 2.799 260 R HA 0.694 5.040 4.340 0.010 0.000 0.270 260 R C -1.536 174.760 176.300 -0.007 0.000 1.010 260 R CA -0.942 55.158 56.100 0.001 0.000 0.916 260 R CB 1.337 31.637 30.300 0.000 0.000 1.228 260 R HN 0.697 nan 8.270 nan 0.000 0.469 261 E N 1.559 121.763 120.200 0.007 0.000 2.183 261 E HA 0.452 4.808 4.350 0.010 0.000 0.271 261 E C -0.435 176.163 176.600 -0.004 0.000 0.919 261 E CA -0.871 55.527 56.400 -0.004 0.000 0.781 261 E CB 2.193 31.895 29.700 0.004 0.000 1.140 261 E HN 0.515 nan 8.360 nan 0.000 0.402 262 I N -1.261 119.291 120.570 -0.029 0.000 3.108 262 I HA 0.557 4.733 4.170 0.010 0.000 0.312 262 I C -0.865 175.209 176.117 -0.073 0.000 1.095 262 I CA -1.223 60.055 61.300 -0.036 0.000 1.000 262 I CB 1.546 39.520 38.000 -0.044 0.000 1.229 262 I HN 0.280 nan 8.210 nan 0.000 0.454 263 I N 2.101 122.612 120.570 -0.098 0.000 2.339 263 I HA 0.291 4.467 4.170 0.010 0.000 0.290 263 I C -0.044 175.990 176.117 -0.138 0.000 0.994 263 I CA -0.199 60.984 61.300 -0.194 0.000 1.191 263 I CB 1.183 38.962 38.000 -0.368 0.000 1.343 263 I HN 0.653 nan 8.210 nan 0.000 0.458 264 T N 7.680 122.160 114.554 -0.122 0.000 2.749 264 T HA 0.460 4.816 4.350 0.010 0.000 0.295 264 T C 0.362 175.031 174.700 -0.052 0.000 0.936 264 T CA -0.305 61.728 62.100 -0.112 0.000 1.060 264 T CB 0.447 69.215 68.868 -0.167 0.000 0.904 264 T HN 0.258 nan 8.240 nan 0.000 0.500 265 L N 4.541 125.744 121.223 -0.033 0.000 2.272 265 L HA 0.425 4.771 4.340 0.010 0.000 0.284 265 L C -0.207 176.708 176.870 0.075 0.000 1.045 265 L CA -0.826 54.054 54.840 0.067 0.000 0.842 265 L CB 0.037 42.157 42.059 0.102 0.000 1.224 265 L HN 0.545 nan 8.230 nan 0.000 0.430 266 F N 2.266 122.228 119.950 0.021 0.000 2.578 266 F HA 0.267 4.799 4.527 0.008 0.000 0.376 266 F C 1.508 177.364 175.800 0.093 0.000 1.085 266 F CA 1.248 59.290 58.000 0.070 0.000 1.260 266 F CB 0.657 39.695 39.000 0.063 0.000 1.095 266 F HN 0.732 nan 8.300 nan 0.000 0.573 267 G N 3.262 112.216 108.800 0.258 0.000 2.157 267 G HA2 -0.250 3.716 3.960 0.010 0.000 0.239 267 G HA3 -0.250 3.716 3.960 0.010 0.000 0.239 267 G C -0.217 174.720 174.900 0.062 0.000 0.982 267 G CA -0.186 45.013 45.100 0.165 0.000 0.650 267 G HN 0.561 nan 8.290 nan 0.000 0.527 268 I N 0.646 121.256 120.570 0.066 0.000 2.608 268 I HA 0.499 4.675 4.170 0.010 0.000 0.295 268 I C -0.276 175.873 176.117 0.054 0.000 1.049 268 I CA -0.903 60.435 61.300 0.063 0.000 1.063 268 I CB 2.375 40.440 38.000 0.108 0.000 1.248 268 I HN -0.000 nan 8.210 nan 0.000 0.424 269 S N 4.135 119.872 115.700 0.061 0.000 2.474 269 S HA 0.355 4.831 4.470 0.010 0.000 0.320 269 S C -0.281 174.374 174.600 0.092 0.000 1.067 269 S CA -0.503 57.733 58.200 0.059 0.000 1.127 269 S CB 0.975 64.202 63.200 0.045 0.000 0.971 269 S HN 0.271 nan 8.310 nan 0.000 0.472 270 V N 5.929 125.906 119.914 0.104 0.000 2.408 270 V HA 0.280 4.406 4.120 0.010 0.000 0.267 270 V C -0.091 176.114 176.094 0.186 0.000 1.047 270 V CA -0.181 62.208 62.300 0.148 0.000 0.937 270 V CB 0.480 32.384 31.823 0.135 0.000 0.999 270 V HN 0.711 nan 8.190 nan 0.000 0.472 271 L N 4.388 125.740 121.223 0.215 0.000 2.435 271 L HA 0.409 4.755 4.340 0.010 0.000 0.253 271 L C 0.088 177.115 176.870 0.262 0.000 1.087 271 L CA -0.510 54.495 54.840 0.276 0.000 0.950 271 L CB 0.971 43.140 42.059 0.184 0.000 1.304 271 L HN 0.511 nan 8.230 nan 0.000 0.453 272 D N 0.712 121.232 120.400 0.199 0.000 2.472 272 D HA -0.128 4.518 4.640 0.010 0.000 0.248 272 D C 0.745 177.118 176.300 0.122 0.000 1.174 272 D CA 0.447 54.523 54.000 0.126 0.000 0.883 272 D CB 0.800 41.587 40.800 -0.021 0.000 1.149 272 D HN 0.322 nan 8.370 nan 0.000 0.488 273 Y N 3.720 124.093 120.300 0.122 0.000 2.333 273 Y HA -0.135 4.421 4.550 0.010 0.000 0.290 273 Y C 2.173 178.043 175.900 -0.050 0.000 1.144 273 Y CA 0.886 59.112 58.100 0.211 0.000 1.228 273 Y CB -0.020 38.698 38.460 0.430 0.000 0.985 273 Y HN 0.587 nan 8.280 nan 0.000 0.542 274 I N -0.415 119.844 120.570 -0.518 0.000 2.208 274 I HA -0.344 3.832 4.170 0.010 0.000 0.245 274 I C 1.614 177.513 176.117 -0.363 0.000 1.097 274 I CA 1.898 62.646 61.300 -0.920 0.000 1.363 274 I CB -0.140 37.112 38.000 -1.246 0.000 1.051 274 I HN 0.190 nan 8.210 nan 0.000 0.413 275 D N 0.432 120.661 120.400 -0.285 0.000 2.162 275 D HA -0.102 4.544 4.640 0.010 0.000 0.203 275 D C 2.340 178.602 176.300 -0.063 0.000 0.967 275 D CA 0.989 54.828 54.000 -0.269 0.000 0.840 275 D CB -0.160 40.342 40.800 -0.497 0.000 0.972 275 D HN 0.372 nan 8.370 nan 0.000 0.482 276 L N 0.011 121.254 121.223 0.033 0.000 2.012 276 L HA -0.234 4.112 4.340 0.010 0.000 0.210 276 L C 2.543 179.260 176.870 -0.254 0.000 1.073 276 L CA 1.262 56.026 54.840 -0.126 0.000 0.748 276 L CB -0.548 41.358 42.059 -0.255 0.000 0.891 276 L HN 0.052 nan 8.230 nan 0.000 0.431 277 Y N 0.949 121.197 120.300 -0.087 0.000 2.114 277 Y HA -0.300 4.256 4.550 0.010 0.000 0.284 277 Y C 2.655 178.542 175.900 -0.022 0.000 1.143 277 Y CA 1.768 59.980 58.100 0.187 0.000 1.135 277 Y CB -0.064 38.717 38.460 0.535 0.000 0.980 277 Y HN -0.014 nan 8.280 nan 0.000 0.499 278 K N 0.056 120.462 120.400 0.010 0.000 2.103 278 K HA -0.240 4.086 4.320 0.010 0.000 0.207 278 K C 2.231 178.608 176.600 -0.370 0.000 1.048 278 K CA 1.841 58.016 56.287 -0.186 0.000 0.930 278 K CB -0.169 32.130 32.500 -0.334 0.000 0.716 278 K HN 0.244 nan 8.250 nan 0.000 0.444 279 K N -0.044 120.059 120.400 -0.494 0.000 2.076 279 K HA -0.053 4.273 4.320 0.010 0.000 0.204 279 K C 1.447 177.556 176.600 -0.818 0.000 1.051 279 K CA 1.220 57.081 56.287 -0.711 0.000 0.949 279 K CB 0.141 32.102 32.500 -0.897 0.000 0.726 279 K HN 0.090 nan 8.250 nan 0.000 0.443 280 F N -0.198 119.362 119.950 -0.650 0.000 2.720 280 F HA 0.046 4.579 4.527 0.011 0.000 0.301 280 F C 2.258 177.791 175.800 -0.445 0.000 1.103 280 F CA -0.077 57.490 58.000 -0.720 0.000 1.291 280 F CB 0.563 38.755 39.000 -1.348 0.000 1.086 280 F HN 0.084 nan 8.300 nan 0.000 0.592 281 S N -0.160 115.366 115.700 -0.291 0.000 2.470 281 S HA -0.121 4.355 4.470 0.010 0.000 0.225 281 S C 0.719 175.414 174.600 0.159 0.000 1.006 281 S CA 0.018 58.212 58.200 -0.010 0.000 0.934 281 S CB -0.925 61.873 63.200 -0.670 0.000 0.778 281 S HN 0.316 nan 8.310 nan 0.000 0.517 282 F N 2.560 122.469 119.950 -0.069 0.000 2.969 282 F HA -0.184 4.349 4.527 0.011 0.000 0.273 282 F C 0.627 176.428 175.800 0.003 0.000 0.986 282 F CA 0.855 58.845 58.000 -0.018 0.000 0.926 282 F CB -2.295 36.714 39.000 0.016 0.000 0.887 282 F HN 0.533 nan 8.300 nan 0.000 0.816 283 T N -2.850 111.736 114.554 0.054 0.000 2.916 283 T HA 0.667 5.023 4.350 0.010 0.000 0.292 283 T C -0.685 174.046 174.700 0.052 0.000 1.055 283 T CA -1.044 61.090 62.100 0.056 0.000 1.009 283 T CB 2.506 71.385 68.868 0.017 0.000 1.118 283 T HN 0.118 nan 8.240 nan 0.000 0.497 284 N N 1.510 120.230 118.700 0.033 0.000 2.442 284 N HA 0.285 5.031 4.740 0.010 0.000 0.274 284 N C -1.112 174.373 175.510 -0.042 0.000 1.002 284 N CA -0.457 52.626 53.050 0.055 0.000 0.910 284 N CB 1.455 39.960 38.487 0.031 0.000 1.244 284 N HN 0.541 nan 8.380 nan 0.000 0.492 285 Q N 3.131 122.854 119.800 -0.129 0.000 2.274 285 Q HA 0.399 4.745 4.340 0.010 0.000 0.260 285 Q C -1.677 174.073 176.000 -0.416 0.000 0.974 285 Q CA -1.669 53.891 55.803 -0.405 0.000 0.876 285 Q CB 1.709 29.971 28.738 -0.794 0.000 1.297 285 Q HN 0.413 nan 8.270 nan 0.000 0.446 286 P HA -0.092 nan 4.420 nan 0.000 0.220 286 P C 0.170 177.078 177.300 -0.653 0.000 1.148 286 P CA 1.120 63.953 63.100 -0.445 0.000 0.803 286 P CB 0.469 31.948 31.700 -0.367 0.000 0.782 287 S N -2.561 112.591 115.700 -0.913 0.000 2.537 287 S HA 0.429 4.905 4.470 0.010 0.000 0.270 287 S C -1.160 173.068 174.600 -0.620 0.000 1.142 287 S CA -0.546 57.210 58.200 -0.740 0.000 0.870 287 S CB 0.443 63.110 63.200 -0.888 0.000 1.112 287 S HN -0.140 nan 8.310 nan 0.000 0.466 288 Y N 2.159 122.405 120.300 -0.089 0.000 2.696 288 Y HA 0.295 4.851 4.550 0.010 0.000 0.260 288 Y C 1.247 177.346 175.900 0.332 0.000 1.165 288 Y CA -0.279 57.908 58.100 0.146 0.000 1.189 288 Y CB 0.439 38.967 38.460 0.112 0.000 1.180 288 Y HN 0.686 nan 8.280 nan 0.000 0.538 289 S N -0.346 115.498 115.700 0.238 0.000 2.572 289 S HA -0.008 4.468 4.470 0.010 0.000 0.279 289 S C 1.232 175.839 174.600 0.012 0.000 1.341 289 S CA -0.584 57.739 58.200 0.206 0.000 1.043 289 S CB 1.138 64.390 63.200 0.088 0.000 0.887 289 S HN 0.437 nan 8.310 nan 0.000 0.516 290 L N 1.657 122.694 121.223 -0.310 0.000 2.079 290 L HA -0.105 4.241 4.340 0.010 0.000 0.210 290 L C 2.118 178.724 176.870 -0.440 0.000 1.081 290 L CA 1.998 56.321 54.840 -0.863 0.000 0.752 290 L CB -1.075 40.454 42.059 -0.884 0.000 0.896 290 L HN 0.978 nan 8.230 nan 0.000 0.433 291 D N -1.755 118.517 120.400 -0.213 0.000 2.097 291 D HA -0.289 4.358 4.640 0.010 0.000 0.195 291 D C 1.999 178.245 176.300 -0.091 0.000 0.989 291 D CA 1.555 55.474 54.000 -0.134 0.000 0.827 291 D CB -0.051 40.721 40.800 -0.047 0.000 0.966 291 D HN 0.496 nan 8.370 nan 0.000 0.456 292 Y N 1.151 121.367 120.300 -0.140 0.000 2.145 292 Y HA -0.194 4.363 4.550 0.011 0.000 0.286 292 Y C 2.328 178.163 175.900 -0.109 0.000 1.145 292 Y CA 1.212 59.250 58.100 -0.103 0.000 1.148 292 Y CB -0.070 38.325 38.460 -0.109 0.000 0.981 292 Y HN -0.023 nan 8.280 nan 0.000 0.507 293 I N -0.152 120.388 120.570 -0.049 0.000 2.252 293 I HA -0.253 3.923 4.170 0.010 0.000 0.245 293 I C 2.631 178.660 176.117 -0.147 0.000 1.102 293 I CA 1.753 62.968 61.300 -0.141 0.000 1.385 293 I CB -1.768 36.013 38.000 -0.364 0.000 1.064 293 I HN 0.370 nan 8.210 nan 0.000 0.414 294 S N 0.727 116.277 115.700 -0.250 0.000 2.368 294 S HA -0.208 4.268 4.470 0.010 0.000 0.225 294 S C 1.831 176.340 174.600 -0.151 0.000 1.030 294 S CA 1.199 59.269 58.200 -0.216 0.000 0.999 294 S CB -0.627 62.416 63.200 -0.262 0.000 0.844 294 S HN 0.482 nan 8.310 nan 0.000 0.459 295 E N 0.335 120.437 120.200 -0.163 0.000 2.058 295 E HA -0.096 4.260 4.350 0.010 0.000 0.194 295 E C 1.776 178.297 176.600 -0.133 0.000 0.997 295 E CA 1.430 57.732 56.400 -0.163 0.000 0.801 295 E CB -0.319 29.252 29.700 -0.216 0.000 0.746 295 E HN 0.647 nan 8.360 nan 0.000 0.450 296 F N 1.880 121.674 119.950 -0.261 0.000 2.102 296 F HA -0.192 4.341 4.527 0.011 0.000 0.298 296 F C 2.183 177.943 175.800 -0.067 0.000 1.105 296 F CA 1.413 59.310 58.000 -0.171 0.000 1.239 296 F CB 0.192 39.111 39.000 -0.136 0.000 0.991 296 F HN -0.105 nan 8.300 nan 0.000 0.474 297 E N 0.045 120.276 120.200 0.052 0.000 2.170 297 E HA -0.000 4.356 4.350 0.010 0.000 0.191 297 E C 2.034 178.587 176.600 -0.078 0.000 0.981 297 E CA 1.111 57.523 56.400 0.020 0.000 0.830 297 E CB 0.012 29.805 29.700 0.155 0.000 0.775 297 E HN 0.475 nan 8.360 nan 0.000 0.470 298 L N -0.281 120.887 121.223 -0.091 0.000 2.920 298 L HA 0.208 4.554 4.340 0.010 0.000 0.257 298 L C 0.375 177.193 176.870 -0.086 0.000 1.150 298 L CA -0.239 54.553 54.840 -0.079 0.000 0.959 298 L CB 0.160 42.156 42.059 -0.106 0.000 1.321 298 L HN -0.016 nan 8.230 nan 0.000 0.555 299 N N 1.181 119.812 118.700 -0.116 0.000 2.725 299 N HA -0.161 4.585 4.740 0.010 0.000 0.249 299 N C -0.301 175.150 175.510 -0.098 0.000 1.103 299 N CA 0.849 53.832 53.050 -0.111 0.000 0.707 299 N CB -1.130 37.299 38.487 -0.096 0.000 1.043 299 N HN 0.289 nan 8.380 nan 0.000 0.553 300 V N -2.345 117.504 119.914 -0.108 0.000 2.743 300 V HA 0.902 5.028 4.120 0.010 0.000 0.301 300 V C 1.472 177.505 176.094 -0.103 0.000 1.057 300 V CA -0.276 61.963 62.300 -0.102 0.000 1.006 300 V CB 1.506 33.260 31.823 -0.115 0.000 1.024 300 V HN 0.257 nan 8.190 nan 0.000 0.473 301 G N 1.761 110.509 108.800 -0.087 0.000 2.527 301 G HA2 0.292 4.258 3.960 0.010 0.000 0.248 301 G HA3 0.292 4.258 3.960 0.010 0.000 0.248 301 G C -0.136 174.706 174.900 -0.098 0.000 1.231 301 G CA -0.661 44.391 45.100 -0.080 0.000 0.838 301 G HN 1.126 nan 8.290 nan 0.000 0.570 302 K N 1.234 121.583 120.400 -0.085 0.000 2.489 302 K HA 0.057 4.383 4.320 0.010 0.000 0.278 302 K C 0.189 176.722 176.600 -0.111 0.000 1.000 302 K CA -0.265 55.968 56.287 -0.090 0.000 1.012 302 K CB 0.194 32.661 32.500 -0.055 0.000 0.903 302 K HN 0.302 nan 8.250 nan 0.000 0.485 303 L N 5.318 126.431 121.223 -0.184 0.000 2.485 303 L HA 0.074 4.420 4.340 0.010 0.000 0.279 303 L C 0.762 177.616 176.870 -0.027 0.000 1.124 303 L CA 0.148 54.778 54.840 -0.350 0.000 0.888 303 L CB 0.243 41.829 42.059 -0.787 0.000 1.217 303 L HN 0.529 nan 8.230 nan 0.000 0.464 304 K N 5.194 125.676 120.400 0.137 0.000 2.227 304 K HA 0.324 4.650 4.320 0.010 0.000 0.280 304 K C -1.129 175.716 176.600 0.407 0.000 1.041 304 K CA -0.362 56.028 56.287 0.172 0.000 0.905 304 K CB 1.087 33.646 32.500 0.097 0.000 1.068 304 K HN 0.427 nan 8.250 nan 0.000 0.470 305 Y N -0.035 120.404 120.300 0.232 0.000 2.588 305 Y HA 0.450 5.006 4.550 0.010 0.000 0.343 305 Y C -0.841 175.124 175.900 0.107 0.000 1.065 305 Y CA -1.405 56.795 58.100 0.167 0.000 1.038 305 Y CB 0.974 39.544 38.460 0.183 0.000 1.297 305 Y HN 0.314 nan 8.280 nan 0.000 0.467 306 D N 0.980 121.529 120.400 0.249 0.000 2.225 306 D HA 0.495 5.141 4.640 0.010 0.000 0.249 306 D C 0.516 176.952 176.300 0.228 0.000 1.052 306 D CA 1.228 55.318 54.000 0.151 0.000 0.909 306 D CB 1.501 42.364 40.800 0.104 0.000 1.186 306 D HN 1.157 nan 8.370 nan 0.000 0.431 307 G N 2.033 110.920 108.800 0.147 0.000 2.855 307 G HA2 -0.149 3.817 3.960 0.010 0.000 0.352 307 G HA3 -0.149 3.817 3.960 0.010 0.000 0.352 307 G C -2.568 172.477 174.900 0.241 0.000 1.415 307 G CA -1.008 44.184 45.100 0.152 0.000 0.871 307 G HN 0.465 nan 8.290 nan 0.000 0.543 308 P HA 0.299 nan 4.420 nan 0.000 0.274 308 P C 1.177 178.608 177.300 0.218 0.000 1.237 308 P CA -0.679 62.547 63.100 0.210 0.000 0.793 308 P CB 0.805 32.574 31.700 0.114 0.000 0.977 309 I N 1.626 122.328 120.570 0.219 0.000 2.614 309 I HA -0.183 3.993 4.170 0.010 0.000 0.258 309 I C 1.917 178.054 176.117 0.032 0.000 1.189 309 I CA 1.760 63.099 61.300 0.064 0.000 1.462 309 I CB -0.757 37.281 38.000 0.063 0.000 1.092 309 I HN 0.391 nan 8.210 nan 0.000 0.442 310 S N 0.050 115.760 115.700 0.018 0.000 2.474 310 S HA -0.080 4.396 4.470 0.010 0.000 0.235 310 S C 1.528 176.082 174.600 -0.078 0.000 0.997 310 S CA 0.530 58.697 58.200 -0.056 0.000 0.949 310 S CB -0.161 62.994 63.200 -0.074 0.000 0.766 310 S HN 0.486 nan 8.310 nan 0.000 0.517 311 K N -0.209 120.170 120.400 -0.034 0.000 2.402 311 K HA 0.335 4.661 4.320 0.010 0.000 0.204 311 K C 1.153 177.722 176.600 -0.052 0.000 1.056 311 K CA -0.183 56.079 56.287 -0.041 0.000 1.069 311 K CB 0.082 32.580 32.500 -0.003 0.000 0.888 311 K HN 0.186 nan 8.250 nan 0.000 0.546 312 L N 2.269 123.456 121.223 -0.061 0.000 2.046 312 L HA -0.080 4.266 4.340 0.010 0.000 0.208 312 L C 2.446 179.202 176.870 -0.190 0.000 1.077 312 L CA 1.744 56.545 54.840 -0.064 0.000 0.747 312 L CB -0.349 41.679 42.059 -0.051 0.000 0.896 312 L HN 0.089 nan 8.230 nan 0.000 0.432 313 R N -0.501 119.665 120.500 -0.557 0.000 2.083 313 R HA -0.237 4.110 4.340 0.010 0.000 0.237 313 R C 2.336 178.496 176.300 -0.234 0.000 1.137 313 R CA 1.972 57.611 56.100 -0.767 0.000 0.951 313 R CB -0.340 29.300 30.300 -1.100 0.000 0.851 313 R HN 0.594 nan 8.270 nan 0.000 0.434 314 E N -0.104 119.997 120.200 -0.165 0.000 2.077 314 E HA -0.169 4.187 4.350 0.010 0.000 0.193 314 E C 1.763 178.347 176.600 -0.027 0.000 0.989 314 E CA 1.777 58.138 56.400 -0.066 0.000 0.800 314 E CB 0.026 29.700 29.700 -0.044 0.000 0.746 314 E HN 0.498 nan 8.360 nan 0.000 0.452 315 S N -0.430 115.256 115.700 -0.024 0.000 2.406 315 S HA -0.012 4.464 4.470 0.010 0.000 0.224 315 S C 1.102 175.715 174.600 0.021 0.000 1.030 315 S CA 0.390 58.594 58.200 0.006 0.000 0.958 315 S CB 0.262 63.472 63.200 0.017 0.000 0.811 315 S HN 0.113 nan 8.310 nan 0.000 0.489 316 N N 0.503 119.216 118.700 0.021 0.000 2.716 316 N HA 0.135 4.881 4.740 0.010 0.000 0.245 316 N C 0.163 175.715 175.510 0.071 0.000 1.495 316 N CA -0.277 52.796 53.050 0.038 0.000 0.759 316 N CB 0.009 38.505 38.487 0.016 0.000 1.261 316 N HN 0.460 nan 8.380 nan 0.000 0.515 317 H N 0.535 119.614 119.070 0.014 0.000 2.422 317 H HA -0.169 4.392 4.556 0.010 0.000 0.298 317 H C 1.266 176.707 175.328 0.188 0.000 1.098 317 H CA 2.012 58.108 56.048 0.079 0.000 1.315 317 H CB 0.659 30.460 29.762 0.066 0.000 1.382 317 H HN 0.448 nan 8.280 nan 0.000 0.523 318 Q N 1.416 121.255 119.800 0.065 0.000 2.014 318 Q HA -0.205 4.141 4.340 0.010 0.000 0.207 318 Q C 2.649 178.682 176.000 0.054 0.000 0.993 318 Q CA 2.377 58.224 55.803 0.073 0.000 0.850 318 Q CB -0.418 28.336 28.738 0.026 0.000 0.916 318 Q HN 0.430 nan 8.270 nan 0.000 0.417 319 R N -1.460 119.000 120.500 -0.067 0.000 2.092 319 R HA -0.171 4.175 4.340 0.010 0.000 0.231 319 R C 2.203 178.316 176.300 -0.311 0.000 1.119 319 R CA 1.321 57.245 56.100 -0.294 0.000 0.970 319 R CB -0.580 29.485 30.300 -0.391 0.000 0.864 319 R HN 0.444 nan 8.270 nan 0.000 0.440 320 Y N 0.778 120.920 120.300 -0.264 0.000 2.081 320 Y HA -0.269 4.286 4.550 0.009 0.000 0.280 320 Y C 1.832 177.638 175.900 -0.157 0.000 1.163 320 Y CA 1.799 59.782 58.100 -0.195 0.000 1.135 320 Y CB -0.071 38.319 38.460 -0.117 0.000 0.970 320 Y HN 0.036 nan 8.280 nan 0.000 0.498 321 I N -1.025 119.460 120.570 -0.142 0.000 2.233 321 I HA -0.247 3.929 4.170 0.010 0.000 0.243 321 I C 2.476 178.408 176.117 -0.307 0.000 1.093 321 I CA 1.457 62.572 61.300 -0.308 0.000 1.380 321 I CB -1.631 36.064 38.000 -0.509 0.000 1.067 321 I HN 0.153 nan 8.210 nan 0.000 0.413 322 S N 0.064 115.700 115.700 -0.105 0.000 2.374 322 S HA -0.210 4.266 4.470 0.010 0.000 0.227 322 S C 2.056 176.761 174.600 0.176 0.000 1.037 322 S CA 1.428 59.685 58.200 0.095 0.000 1.024 322 S CB -0.457 62.894 63.200 0.252 0.000 0.861 322 S HN 0.439 nan 8.310 nan 0.000 0.456 323 Y N 1.460 121.716 120.300 -0.073 0.000 2.373 323 Y HA -0.054 4.502 4.550 0.010 0.000 0.293 323 Y C 2.734 178.560 175.900 -0.124 0.000 1.129 323 Y CA 0.426 58.478 58.100 -0.079 0.000 1.226 323 Y CB -0.201 38.216 38.460 -0.072 0.000 1.000 323 Y HN 0.395 nan 8.280 nan 0.000 0.549 324 N N 1.196 119.874 118.700 -0.036 0.000 2.142 324 N HA -0.183 4.563 4.740 0.010 0.000 0.186 324 N C 1.696 177.196 175.510 -0.016 0.000 1.023 324 N CA 1.141 54.141 53.050 -0.084 0.000 0.852 324 N CB -0.135 38.249 38.487 -0.171 0.000 0.998 324 N HN 0.299 nan 8.380 nan 0.000 0.424 325 I N 1.176 121.713 120.570 -0.054 0.000 2.142 325 I HA -0.268 3.909 4.170 0.010 0.000 0.240 325 I C 2.274 178.388 176.117 -0.004 0.000 1.078 325 I CA 0.998 62.270 61.300 -0.048 0.000 1.343 325 I CB -0.261 37.622 38.000 -0.196 0.000 1.046 325 I HN 0.139 nan 8.210 nan 0.000 0.405 326 I N 0.876 121.449 120.570 0.005 0.000 2.264 326 I HA -0.331 3.845 4.170 0.010 0.000 0.248 326 I C 2.791 178.925 176.117 0.029 0.000 1.111 326 I CA 1.394 62.714 61.300 0.033 0.000 1.382 326 I CB -0.515 37.489 38.000 0.008 0.000 1.060 326 I HN 0.221 nan 8.210 nan 0.000 0.418 327 A N 0.318 123.137 122.820 -0.001 0.000 1.908 327 A HA -0.171 4.156 4.320 0.010 0.000 0.218 327 A C 2.439 180.044 177.584 0.035 0.000 1.181 327 A CA 1.948 53.970 52.037 -0.025 0.000 0.627 327 A CB -0.949 18.036 19.000 -0.025 0.000 0.818 327 A HN 0.260 nan 8.150 nan 0.000 0.445 328 V N -1.584 118.411 119.914 0.135 0.000 2.307 328 V HA -0.237 3.889 4.120 0.010 0.000 0.245 328 V C 2.356 178.609 176.094 0.265 0.000 1.045 328 V CA 1.996 64.437 62.300 0.234 0.000 1.024 328 V CB -0.967 31.084 31.823 0.381 0.000 0.651 328 V HN 0.698 nan 8.190 nan 0.000 0.449 329 Y N 1.478 121.866 120.300 0.148 0.000 2.181 329 Y HA -0.183 4.373 4.550 0.010 0.000 0.288 329 Y C 2.661 178.544 175.900 -0.029 0.000 1.146 329 Y CA 1.398 59.555 58.100 0.095 0.000 1.164 329 Y CB -0.336 38.106 38.460 -0.030 0.000 0.982 329 Y HN 0.082 nan 8.280 nan 0.000 0.515 330 R N -0.062 120.350 120.500 -0.146 0.000 2.096 330 R HA -0.159 4.187 4.340 0.010 0.000 0.240 330 R C 2.410 178.532 176.300 -0.298 0.000 1.139 330 R CA 1.559 57.488 56.100 -0.286 0.000 0.952 330 R CB -1.521 28.631 30.300 -0.246 0.000 0.854 330 R HN 0.352 nan 8.270 nan 0.000 0.436 331 V N 1.607 121.393 119.914 -0.213 0.000 2.343 331 V HA -0.217 3.909 4.120 0.010 0.000 0.247 331 V C 2.531 178.438 176.094 -0.311 0.000 1.051 331 V CA 1.585 63.735 62.300 -0.250 0.000 1.036 331 V CB -0.533 31.247 31.823 -0.071 0.000 0.654 331 V HN 0.195 nan 8.190 nan 0.000 0.451 332 L N -0.618 120.483 121.223 -0.203 0.000 2.079 332 L HA -0.259 4.087 4.340 0.010 0.000 0.210 332 L C 2.686 179.416 176.870 -0.232 0.000 1.081 332 L CA 1.705 56.432 54.840 -0.188 0.000 0.752 332 L CB -0.598 41.379 42.059 -0.137 0.000 0.896 332 L HN 0.380 nan 8.230 nan 0.000 0.433 333 Q N -0.163 119.417 119.800 -0.366 0.000 2.079 333 Q HA -0.164 4.182 4.340 0.010 0.000 0.200 333 Q C 2.345 178.212 176.000 -0.222 0.000 0.974 333 Q CA 1.339 56.937 55.803 -0.342 0.000 0.840 333 Q CB -0.069 28.374 28.738 -0.492 0.000 0.898 333 Q HN 0.521 nan 8.270 nan 0.000 0.430 334 I N 0.688 121.112 120.570 -0.242 0.000 2.226 334 I HA -0.272 3.904 4.170 0.010 0.000 0.245 334 I C 1.931 177.961 176.117 -0.144 0.000 1.100 334 I CA 1.315 62.519 61.300 -0.161 0.000 1.374 334 I CB -0.151 37.760 38.000 -0.148 0.000 1.057 334 I HN 0.189 nan 8.210 nan 0.000 0.413 335 D N 0.716 120.986 120.400 -0.217 0.000 2.144 335 D HA -0.127 4.519 4.640 0.010 0.000 0.200 335 D C 2.204 178.472 176.300 -0.054 0.000 0.978 335 D CA 1.228 55.191 54.000 -0.061 0.000 0.833 335 D CB 0.074 40.878 40.800 0.008 0.000 0.961 335 D HN 0.280 nan 8.370 nan 0.000 0.470 336 A N 0.514 123.291 122.820 -0.072 0.000 1.948 336 A HA -0.249 4.077 4.320 0.010 0.000 0.220 336 A C 2.105 179.647 177.584 -0.070 0.000 1.177 336 A CA 1.883 53.892 52.037 -0.047 0.000 0.636 336 A CB -0.591 18.389 19.000 -0.033 0.000 0.815 336 A HN 0.270 nan 8.150 nan 0.000 0.449 337 K N -1.442 118.900 120.400 -0.096 0.000 2.005 337 K HA -0.053 4.273 4.320 0.010 0.000 0.206 337 K C 2.175 178.675 176.600 -0.166 0.000 1.044 337 K CA 0.724 56.938 56.287 -0.120 0.000 0.942 337 K CB -0.126 32.315 32.500 -0.099 0.000 0.727 337 K HN 0.209 nan 8.250 nan 0.000 0.439 338 R N 0.648 120.999 120.500 -0.248 0.000 2.161 338 R HA 0.043 4.389 4.340 0.010 0.000 0.213 338 R C 0.343 176.327 176.300 -0.528 0.000 1.055 338 R CA 0.647 56.428 56.100 -0.532 0.000 0.996 338 R CB -0.234 29.423 30.300 -1.070 0.000 0.901 338 R HN 0.420 nan 8.270 nan 0.000 0.456 339 Q N -0.456 119.179 119.800 -0.275 0.000 2.468 339 Q HA -0.180 4.167 4.340 0.010 0.000 0.289 339 Q C 0.047 176.058 176.000 0.018 0.000 1.299 339 Q CA 0.352 56.100 55.803 -0.092 0.000 0.838 339 Q CB -1.574 27.114 28.738 -0.083 0.000 1.195 339 Q HN 0.176 nan 8.270 nan 0.000 0.456 340 F N -0.583 119.421 119.950 0.091 0.000 2.259 340 F HA -0.078 4.455 4.527 0.010 0.000 0.298 340 F C 2.152 177.907 175.800 -0.074 0.000 1.088 340 F CA 0.379 58.345 58.000 -0.057 0.000 1.358 340 F CB -0.204 38.792 39.000 -0.007 0.000 1.040 340 F HN 0.251 nan 8.300 nan 0.000 0.505 341 I N 0.123 120.838 120.570 0.242 0.000 2.202 341 I HA -0.280 3.896 4.170 0.010 0.000 0.242 341 I C 2.003 178.158 176.117 0.064 0.000 1.091 341 I CA 1.218 62.614 61.300 0.159 0.000 1.368 341 I CB -1.486 36.651 38.000 0.228 0.000 1.058 341 I HN 0.110 nan 8.210 nan 0.000 0.410 342 N N 1.028 119.761 118.700 0.054 0.000 2.061 342 N HA -0.236 4.510 4.740 0.010 0.000 0.193 342 N C 1.781 177.280 175.510 -0.018 0.000 1.030 342 N CA 1.332 54.394 53.050 0.021 0.000 0.856 342 N CB -0.402 38.074 38.487 -0.019 0.000 1.023 342 N HN 0.229 nan 8.380 nan 0.000 0.424 343 L N 0.310 121.481 121.223 -0.086 0.000 2.042 343 L HA -0.116 4.231 4.340 0.010 0.000 0.210 343 L C 1.912 178.641 176.870 -0.235 0.000 1.076 343 L CA 1.705 56.420 54.840 -0.208 0.000 0.749 343 L CB -0.794 41.045 42.059 -0.368 0.000 0.893 343 L HN 0.067 nan 8.230 nan 0.000 0.432 344 S N -0.385 115.184 115.700 -0.218 0.000 2.368 344 S HA -0.115 4.361 4.470 0.010 0.000 0.224 344 S C 1.915 176.399 174.600 -0.193 0.000 1.029 344 S CA 1.628 59.709 58.200 -0.199 0.000 0.988 344 S CB -0.488 62.625 63.200 -0.146 0.000 0.838 344 S HN 0.463 nan 8.310 nan 0.000 0.462 345 L N 1.295 122.416 121.223 -0.172 0.000 2.017 345 L HA -0.164 4.183 4.340 0.010 0.000 0.208 345 L C 2.285 179.023 176.870 -0.221 0.000 1.073 345 L CA 1.245 55.909 54.840 -0.293 0.000 0.745 345 L CB -0.765 41.143 42.059 -0.251 0.000 0.894 345 L HN 0.168 nan 8.230 nan 0.000 0.432 346 D N -0.045 120.354 120.400 -0.001 0.000 2.106 346 D HA -0.229 4.417 4.640 0.010 0.000 0.191 346 D C 2.321 178.668 176.300 0.078 0.000 0.997 346 D CA 1.656 55.743 54.000 0.146 0.000 0.834 346 D CB -0.137 40.706 40.800 0.072 0.000 0.956 346 D HN 0.232 nan 8.370 nan 0.000 0.448 347 M N -0.327 119.249 119.600 -0.039 0.000 2.132 347 M HA -0.011 4.475 4.480 0.010 0.000 0.263 347 M C 2.310 178.608 176.300 -0.004 0.000 1.065 347 M CA 1.516 56.795 55.300 -0.036 0.000 1.122 347 M CB -0.356 32.176 32.600 -0.114 0.000 1.365 347 M HN 0.051 nan 8.290 nan 0.000 0.411 348 G N -0.589 108.145 108.800 -0.110 0.000 2.421 348 G HA2 -0.223 3.743 3.960 0.010 0.000 0.216 348 G HA3 -0.223 3.743 3.960 0.010 0.000 0.216 348 G C 1.103 175.940 174.900 -0.104 0.000 1.171 348 G CA 0.800 45.799 45.100 -0.168 0.000 0.775 348 G HN 0.339 nan 8.290 nan 0.000 0.543 349 Y N -0.922 119.354 120.300 -0.040 0.000 2.314 349 Y HA 0.023 4.579 4.550 0.011 0.000 0.293 349 Y C 2.418 178.374 175.900 0.093 0.000 1.129 349 Y CA 0.339 58.431 58.100 -0.014 0.000 1.201 349 Y CB -0.735 37.620 38.460 -0.175 0.000 0.999 349 Y HN 0.299 nan 8.280 nan 0.000 0.541 350 Y N 0.310 120.696 120.300 0.143 0.000 2.128 350 Y HA -0.283 4.273 4.550 0.010 0.000 0.284 350 Y C 2.412 178.344 175.900 0.055 0.000 1.154 350 Y CA 1.724 59.876 58.100 0.086 0.000 1.149 350 Y CB -0.509 37.971 38.460 0.034 0.000 0.976 350 Y HN 0.028 nan 8.280 nan 0.000 0.505 351 A N -0.322 122.538 122.820 0.067 0.000 2.067 351 A HA 0.031 4.358 4.320 0.010 0.000 0.217 351 A C 0.922 178.518 177.584 0.020 0.000 1.156 351 A CA 0.768 52.794 52.037 -0.018 0.000 0.683 351 A CB -0.399 18.599 19.000 -0.003 0.000 0.808 351 A HN 0.461 nan 8.150 nan 0.000 0.455 352 K N -0.611 119.844 120.400 0.091 0.000 3.353 352 K HA -0.150 4.176 4.320 0.010 0.000 0.272 352 K C -0.368 176.258 176.600 0.043 0.000 1.071 352 K CA 0.923 57.289 56.287 0.131 0.000 0.789 352 K CB -2.152 30.397 32.500 0.083 0.000 1.325 352 K HN 0.817 nan 8.250 nan 0.000 0.464 353 I N -3.492 117.112 120.570 0.057 0.000 3.108 353 I HA 0.323 4.499 4.170 0.010 0.000 0.312 353 I C 0.102 176.222 176.117 0.005 0.000 1.095 353 I CA -1.499 59.800 61.300 -0.001 0.000 1.000 353 I CB 1.430 39.434 38.000 0.007 0.000 1.229 353 I HN -0.015 nan 8.210 nan 0.000 0.454 354 Q N 1.842 121.633 119.800 -0.015 0.000 2.286 354 Q HA 0.117 4.463 4.340 0.010 0.000 0.290 354 Q C 0.885 176.876 176.000 -0.015 0.000 1.049 354 Q CA -0.312 55.501 55.803 0.016 0.000 0.923 354 Q CB 1.196 29.932 28.738 -0.003 0.000 1.183 354 Q HN 0.523 nan 8.270 nan 0.000 0.383 355 I N 2.504 123.047 120.570 -0.045 0.000 2.248 355 I HA -0.325 3.851 4.170 0.010 0.000 0.248 355 I C 2.460 178.524 176.117 -0.089 0.000 1.107 355 I CA 1.611 62.832 61.300 -0.132 0.000 1.373 355 I CB -1.290 36.598 38.000 -0.188 0.000 1.055 355 I HN 0.769 nan 8.210 nan 0.000 0.418 356 Q N 0.371 120.160 119.800 -0.018 0.000 2.437 356 Q HA -0.095 4.251 4.340 0.010 0.000 0.210 356 Q C 1.697 177.745 176.000 0.079 0.000 0.972 356 Q CA 1.266 57.103 55.803 0.057 0.000 0.903 356 Q CB -0.760 28.044 28.738 0.109 0.000 0.967 356 Q HN 0.358 nan 8.270 nan 0.000 0.486 357 S N 1.409 117.116 115.700 0.011 0.000 2.561 357 S HA -0.027 4.449 4.470 0.010 0.000 0.225 357 S C 1.922 176.515 174.600 -0.013 0.000 0.977 357 S CA 0.727 58.939 58.200 0.019 0.000 0.926 357 S CB -0.222 62.981 63.200 0.005 0.000 0.769 357 S HN 0.509 nan 8.310 nan 0.000 0.533 358 V N -1.237 118.618 119.914 -0.098 0.000 2.688 358 V HA -0.113 4.013 4.120 0.010 0.000 0.256 358 V C 1.568 177.574 176.094 -0.147 0.000 1.084 358 V CA 1.512 63.732 62.300 -0.134 0.000 1.103 358 V CB -1.276 30.446 31.823 -0.168 0.000 0.688 358 V HN 0.380 nan 8.190 nan 0.000 0.480 359 F N 1.408 121.323 119.950 -0.058 0.000 2.546 359 F HA 0.213 4.747 4.527 0.012 0.000 0.298 359 F C 1.713 177.450 175.800 -0.105 0.000 1.120 359 F CA 1.151 59.068 58.000 -0.139 0.000 1.456 359 F CB -0.269 38.633 39.000 -0.163 0.000 1.088 359 F HN 0.284 nan 8.300 nan 0.000 0.572 360 S N 0.268 116.024 115.700 0.093 0.000 2.667 360 S HA 0.322 4.798 4.470 0.010 0.000 0.304 360 S C -1.815 172.827 174.600 0.069 0.000 1.135 360 S CA -1.677 56.563 58.200 0.068 0.000 1.125 360 S CB 0.818 64.053 63.200 0.057 0.000 0.996 360 S HN -0.208 nan 8.310 nan 0.000 0.474 361 P HA -0.091 nan 4.420 nan 0.000 0.216 361 P C 1.252 178.683 177.300 0.219 0.000 1.150 361 P CA 1.046 64.232 63.100 0.143 0.000 0.843 361 P CB 0.105 31.917 31.700 0.186 0.000 0.787 362 I N -0.741 119.932 120.570 0.170 0.000 2.179 362 I HA -0.264 3.912 4.170 0.010 0.000 0.242 362 I C 2.403 178.719 176.117 0.333 0.000 1.088 362 I CA 1.494 62.939 61.300 0.242 0.000 1.357 362 I CB -0.341 37.807 38.000 0.246 0.000 1.051 362 I HN -0.141 nan 8.210 nan 0.000 0.409 363 K N 0.686 121.207 120.400 0.202 0.000 2.097 363 K HA -0.130 4.196 4.320 0.010 0.000 0.206 363 K C 1.950 178.639 176.600 0.148 0.000 1.049 363 K CA 1.917 58.299 56.287 0.158 0.000 0.933 363 K CB -0.583 31.965 32.500 0.079 0.000 0.717 363 K HN 0.205 nan 8.250 nan 0.000 0.442 364 T N -0.473 114.133 114.554 0.087 0.000 2.674 364 T HA -0.141 4.215 4.350 0.010 0.000 0.265 364 T C 1.495 176.192 174.700 -0.005 0.000 1.039 364 T CA 1.806 63.886 62.100 -0.033 0.000 1.150 364 T CB -0.470 68.287 68.868 -0.186 0.000 0.864 364 T HN 0.411 nan 8.240 nan 0.000 0.427 365 W N 1.243 122.675 121.300 0.221 0.000 2.402 365 W HA -0.013 4.653 4.660 0.010 0.000 0.286 365 W C 2.280 179.046 176.519 0.411 0.000 1.221 365 W CA 0.312 57.836 57.345 0.297 0.000 1.257 365 W CB -0.249 29.372 29.460 0.269 0.000 1.120 365 W HN 0.276 nan 8.180 nan 0.000 0.551 366 D N 0.071 120.856 120.400 0.642 0.000 2.123 366 D HA -0.192 4.454 4.640 0.010 0.000 0.196 366 D C 2.203 178.746 176.300 0.407 0.000 0.992 366 D CA 2.042 56.344 54.000 0.503 0.000 0.833 366 D CB -0.350 40.652 40.800 0.337 0.000 0.954 366 D HN 0.012 nan 8.370 nan 0.000 0.455 367 A N -0.034 122.974 122.820 0.313 0.000 1.898 367 A HA -0.064 4.262 4.320 0.010 0.000 0.216 367 A C 2.449 180.194 177.584 0.268 0.000 1.181 367 A CA 0.965 53.184 52.037 0.303 0.000 0.620 367 A CB -0.730 18.380 19.000 0.183 0.000 0.819 367 A HN 0.329 nan 8.150 nan 0.000 0.442 368 I N -0.256 120.435 120.570 0.202 0.000 2.163 368 I HA -0.288 3.888 4.170 0.010 0.000 0.243 368 I C 2.287 178.530 176.117 0.209 0.000 1.085 368 I CA 1.558 62.945 61.300 0.145 0.000 1.347 368 I CB -0.289 37.796 38.000 0.141 0.000 1.044 368 I HN 0.308 nan 8.210 nan 0.000 0.408 369 I N -0.160 120.608 120.570 0.330 0.000 2.353 369 I HA -0.293 3.883 4.170 0.010 0.000 0.248 369 I C 2.472 178.726 176.117 0.229 0.000 1.119 369 I CA 1.316 62.765 61.300 0.248 0.000 1.417 369 I CB -0.364 37.769 38.000 0.222 0.000 1.078 369 I HN 0.191 nan 8.210 nan 0.000 0.421 370 F N 2.055 122.110 119.950 0.174 0.000 2.095 370 F HA -0.267 4.266 4.527 0.011 0.000 0.298 370 F C 2.396 178.254 175.800 0.095 0.000 1.104 370 F CA 1.753 59.837 58.000 0.139 0.000 1.232 370 F CB -0.340 38.744 39.000 0.140 0.000 0.987 370 F HN 0.046 nan 8.300 nan 0.000 0.475 371 N N 0.054 118.563 118.700 -0.318 0.000 2.166 371 N HA -0.205 4.541 4.740 0.010 0.000 0.186 371 N C 2.106 177.477 175.510 -0.232 0.000 1.019 371 N CA 1.429 54.230 53.050 -0.415 0.000 0.856 371 N CB -0.422 37.946 38.487 -0.198 0.000 0.993 371 N HN 0.362 nan 8.380 nan 0.000 0.426 372 S N 0.961 116.602 115.700 -0.099 0.000 2.356 372 S HA 0.019 4.495 4.470 0.010 0.000 0.223 372 S C 2.103 176.671 174.600 -0.053 0.000 1.032 372 S CA 0.695 58.867 58.200 -0.047 0.000 1.005 372 S CB -0.115 63.093 63.200 0.013 0.000 0.867 372 S HN 0.195 nan 8.310 nan 0.000 0.449 373 L N 1.111 122.306 121.223 -0.047 0.000 2.109 373 L HA -0.009 4.337 4.340 0.010 0.000 0.207 373 L C 2.623 179.467 176.870 -0.043 0.000 1.086 373 L CA 1.387 56.213 54.840 -0.024 0.000 0.760 373 L CB -0.471 41.603 42.059 0.024 0.000 0.910 373 L HN 0.318 nan 8.230 nan 0.000 0.437 374 K N 0.238 120.556 120.400 -0.137 0.000 2.103 374 K HA -0.222 4.104 4.320 0.010 0.000 0.207 374 K C 1.994 178.561 176.600 -0.055 0.000 1.048 374 K CA 1.312 57.520 56.287 -0.131 0.000 0.930 374 K CB 0.048 32.318 32.500 -0.383 0.000 0.716 374 K HN 0.159 nan 8.250 nan 0.000 0.444 375 E N 0.425 120.579 120.200 -0.076 0.000 2.219 375 E HA -0.181 4.175 4.350 0.010 0.000 0.198 375 E C 1.367 177.967 176.600 -0.000 0.000 0.998 375 E CA 1.036 57.418 56.400 -0.030 0.000 0.818 375 E CB 0.120 29.800 29.700 -0.033 0.000 0.741 375 E HN 0.450 nan 8.360 nan 0.000 0.477 376 Q N -0.010 119.793 119.800 0.005 0.000 2.220 376 Q HA 0.095 4.441 4.340 0.010 0.000 0.205 376 Q C -0.081 175.949 176.000 0.049 0.000 0.865 376 Q CA -0.236 55.580 55.803 0.021 0.000 0.960 376 Q CB 0.347 29.093 28.738 0.014 0.000 1.097 376 Q HN 0.138 nan 8.270 nan 0.000 0.493 377 N N 1.022 119.761 118.700 0.065 0.000 2.708 377 N HA -0.173 4.573 4.740 0.010 0.000 0.251 377 N C -0.638 174.960 175.510 0.147 0.000 1.123 377 N CA 0.967 54.093 53.050 0.126 0.000 0.739 377 N CB -0.947 37.558 38.487 0.030 0.000 1.113 377 N HN 0.362 nan 8.380 nan 0.000 0.561 378 K N 0.116 120.566 120.400 0.083 0.000 2.118 378 K HA 0.559 4.885 4.320 0.010 0.000 0.264 378 K C 0.125 176.711 176.600 -0.025 0.000 1.000 378 K CA -0.486 55.836 56.287 0.058 0.000 0.929 378 K CB 1.616 34.143 32.500 0.044 0.000 1.021 378 K HN -0.164 nan 8.250 nan 0.000 0.463 379 V N 4.274 124.140 119.914 -0.080 0.000 2.448 379 V HA 0.295 4.421 4.120 0.010 0.000 0.295 379 V C 0.113 176.193 176.094 -0.023 0.000 1.025 379 V CA -0.979 61.192 62.300 -0.215 0.000 0.859 379 V CB 1.214 32.722 31.823 -0.526 0.000 0.988 379 V HN 0.659 nan 8.190 nan 0.000 0.431 380 I N 4.335 124.948 120.570 0.072 0.000 2.638 380 I HA 0.518 4.694 4.170 0.010 0.000 0.286 380 I C -2.129 174.043 176.117 0.092 0.000 1.088 380 I CA -1.727 59.663 61.300 0.149 0.000 1.397 380 I CB 1.235 39.379 38.000 0.240 0.000 1.414 380 I HN 0.380 nan 8.210 nan 0.000 0.566 381 P HA 0.068 nan 4.420 nan 0.000 0.274 381 P C -1.154 176.144 177.300 -0.004 0.000 1.246 381 P CA -0.297 62.845 63.100 0.070 0.000 0.795 381 P CB 0.683 32.451 31.700 0.113 0.000 1.006 382 Q N 0.292 120.103 119.800 0.019 0.000 2.352 382 Q HA 0.357 4.703 4.340 0.010 0.000 0.260 382 Q C 0.407 176.375 176.000 -0.053 0.000 0.976 382 Q CA -0.434 55.360 55.803 -0.014 0.000 0.881 382 Q CB 0.253 28.991 28.738 -0.001 0.000 1.235 382 Q HN 0.603 nan 8.270 nan 0.000 0.419 383 G N 3.286 112.042 108.800 -0.072 0.000 2.398 383 G HA2 0.220 4.187 3.960 0.010 0.000 0.246 383 G HA3 0.220 4.187 3.960 0.010 0.000 0.246 383 G C -0.662 174.199 174.900 -0.065 0.000 1.289 383 G CA -0.310 44.752 45.100 -0.064 0.000 0.869 383 G HN 0.633 nan 8.290 nan 0.000 0.543 384 R N 0.591 121.036 120.500 -0.090 0.000 2.892 384 R HA 0.524 4.870 4.340 0.010 0.000 0.265 384 R C -0.185 175.801 176.300 -0.523 0.000 1.025 384 R CA -0.705 55.236 56.100 -0.265 0.000 0.982 384 R CB 1.947 32.080 30.300 -0.279 0.000 1.185 384 R HN 0.544 nan 8.270 nan 0.000 0.484 385 S N 0.983 116.365 115.700 -0.530 0.000 2.523 385 S HA 0.232 4.708 4.470 0.010 0.000 0.275 385 S C -0.907 173.231 174.600 -0.769 0.000 1.281 385 S CA -0.386 57.487 58.200 -0.546 0.000 1.050 385 S CB 0.227 63.237 63.200 -0.316 0.000 0.937 385 S HN 0.439 nan 8.310 nan 0.000 0.492 386 H N 3.836 122.693 119.070 -0.356 0.000 2.771 386 H HA 0.407 4.969 4.556 0.010 0.000 0.361 386 H C -2.559 172.577 175.328 -0.321 0.000 1.108 386 H CA -1.683 54.185 56.048 -0.299 0.000 1.201 386 H CB 1.413 30.930 29.762 -0.407 0.000 1.681 386 H HN 0.512 nan 8.280 nan 0.000 0.534 387 P HA 0.062 nan 4.420 nan 0.000 0.276 387 P C 0.112 177.375 177.300 -0.060 0.000 1.230 387 P CA -0.465 62.591 63.100 -0.073 0.000 0.776 387 P CB 1.131 32.818 31.700 -0.021 0.000 0.888 388 V N 4.224 124.095 119.914 -0.071 0.000 2.529 388 V HA 0.005 4.131 4.120 0.010 0.000 0.292 388 V C 0.776 176.899 176.094 0.050 0.000 1.028 388 V CA 0.608 62.895 62.300 -0.022 0.000 1.074 388 V CB -0.563 31.253 31.823 -0.012 0.000 0.958 388 V HN 0.546 nan 8.190 nan 0.000 0.481 389 Q N 5.233 125.104 119.800 0.119 0.000 2.347 389 Q HA 0.445 4.791 4.340 0.010 0.000 0.271 389 Q C -2.574 173.543 176.000 0.194 0.000 1.064 389 Q CA -1.825 54.060 55.803 0.136 0.000 0.800 389 Q CB 2.587 31.409 28.738 0.139 0.000 1.304 389 Q HN 0.524 nan 8.270 nan 0.000 0.438 390 P HA 0.069 nan 4.420 nan 0.000 0.272 390 P C -1.503 175.924 177.300 0.211 0.000 1.223 390 P CA 0.113 63.287 63.100 0.124 0.000 0.784 390 P CB 0.216 31.952 31.700 0.061 0.000 0.923 391 Y N -0.447 119.881 120.300 0.047 0.000 2.571 391 Y HA 0.699 5.255 4.550 0.010 0.000 0.341 391 Y C -2.872 173.055 175.900 0.045 0.000 1.076 391 Y CA -2.912 55.209 58.100 0.035 0.000 1.029 391 Y CB -0.159 38.312 38.460 0.019 0.000 1.308 391 Y HN 0.224 nan 8.280 nan 0.000 0.461 392 P HA 0.450 nan 4.420 nan 0.000 0.275 392 P C -0.250 177.091 177.300 0.068 0.000 1.228 392 P CA 0.097 63.240 63.100 0.072 0.000 0.786 392 P CB 1.721 33.489 31.700 0.114 0.000 0.927 393 G N 0.125 108.956 108.800 0.052 0.000 3.247 393 G HA2 0.601 4.567 3.960 0.010 0.000 0.163 393 G HA3 0.601 4.567 3.960 0.010 0.000 0.163 393 G C -0.668 174.341 174.900 0.181 0.000 1.206 393 G CA -0.206 44.956 45.100 0.105 0.000 0.918 393 G HN 0.721 nan 8.290 nan 0.000 0.625 394 A N -0.862 122.077 122.820 0.199 0.000 2.287 394 A HA 0.605 4.931 4.320 0.010 0.000 0.273 394 A C -0.909 176.810 177.584 0.225 0.000 1.091 394 A CA -0.408 51.770 52.037 0.235 0.000 0.817 394 A CB 0.462 19.581 19.000 0.198 0.000 1.069 394 A HN 0.703 nan 8.150 nan 0.000 0.492 395 F N 1.522 121.534 119.950 0.103 0.000 2.394 395 F HA 0.551 5.084 4.527 0.010 0.000 0.340 395 F C -0.435 175.394 175.800 0.048 0.000 1.105 395 F CA -0.359 57.686 58.000 0.076 0.000 1.124 395 F CB 1.226 40.272 39.000 0.076 0.000 1.145 395 F HN 0.263 nan 8.300 nan 0.000 0.505 396 V N 6.384 125.793 119.914 -0.841 0.000 2.531 396 V HA 0.291 4.417 4.120 0.010 0.000 0.301 396 V C -0.379 175.054 176.094 -1.101 0.000 1.034 396 V CA -1.256 60.617 62.300 -0.712 0.000 0.865 396 V CB 1.533 33.198 31.823 -0.264 0.000 0.995 396 V HN 0.739 nan 8.190 nan 0.000 0.424 397 K N 2.691 122.616 120.400 -0.791 0.000 2.298 397 K HA 0.279 4.605 4.320 0.010 0.000 0.280 397 K C -0.026 176.518 176.600 -0.092 0.000 1.032 397 K CA -0.409 55.648 56.287 -0.383 0.000 0.958 397 K CB 0.900 33.340 32.500 -0.100 0.000 0.978 397 K HN 0.743 nan 8.250 nan 0.000 0.472 398 E N 5.942 126.144 120.200 0.004 0.000 2.166 398 E HA 0.125 4.482 4.350 0.010 0.000 0.279 398 E C -2.222 174.447 176.600 0.114 0.000 1.095 398 E CA -1.848 54.605 56.400 0.088 0.000 0.888 398 E CB 0.612 30.357 29.700 0.074 0.000 1.041 398 E HN 0.310 nan 8.360 nan 0.000 0.414 399 P HA 0.211 nan 4.420 nan 0.000 0.279 399 P C -0.445 176.900 177.300 0.075 0.000 1.252 399 P CA -0.379 62.741 63.100 0.033 0.000 0.811 399 P CB 0.852 32.455 31.700 -0.162 0.000 1.035 400 I N 3.259 123.883 120.570 0.089 0.000 2.436 400 I HA 0.136 4.312 4.170 0.010 0.000 0.289 400 I C -1.913 174.338 176.117 0.223 0.000 1.083 400 I CA -2.017 59.368 61.300 0.141 0.000 1.372 400 I CB 0.300 38.381 38.000 0.134 0.000 1.408 400 I HN 0.143 nan 8.210 nan 0.000 0.516 401 P HA 0.159 nan 4.420 nan 0.000 0.267 401 P C -0.677 176.734 177.300 0.184 0.000 1.209 401 P CA 0.117 63.361 63.100 0.239 0.000 0.763 401 P CB 0.511 32.314 31.700 0.171 0.000 0.816 402 N N 1.327 120.172 118.700 0.241 0.000 3.533 402 N HA 0.127 4.873 4.740 0.010 0.000 0.229 402 N C -1.291 174.243 175.510 0.040 0.000 1.418 402 N CA -0.870 52.171 53.050 -0.016 0.000 0.880 402 N CB 1.326 39.599 38.487 -0.357 0.000 1.415 402 N HN 0.271 nan 8.380 nan 0.000 0.491 403 R N 0.439 120.888 120.500 -0.086 0.000 2.539 403 R HA 0.458 4.804 4.340 0.010 0.000 0.275 403 R C -1.009 175.139 176.300 -0.252 0.000 1.077 403 R CA 0.098 56.209 56.100 0.018 0.000 1.097 403 R CB 0.335 30.636 30.300 0.002 0.000 1.018 403 R HN 0.485 nan 8.270 nan 0.000 0.483 404 Y N 0.618 121.040 120.300 0.203 0.000 2.315 404 Y HA 0.223 4.779 4.550 0.010 0.000 0.324 404 Y C 0.735 176.708 175.900 0.122 0.000 1.062 404 Y CA -0.868 57.333 58.100 0.169 0.000 1.159 404 Y CB 2.136 40.739 38.460 0.239 0.000 1.145 404 Y HN 0.726 nan 8.280 nan 0.000 0.442 405 K N 2.282 122.762 120.400 0.134 0.000 1.991 405 K HA 0.045 4.371 4.320 0.010 0.000 0.207 405 K C -0.671 175.795 176.600 -0.223 0.000 1.045 405 K CA 1.259 57.488 56.287 -0.095 0.000 0.937 405 K CB 0.173 32.559 32.500 -0.189 0.000 0.720 405 K HN 0.626 nan 8.250 nan 0.000 0.438 406 Y N 0.360 120.720 120.300 0.100 0.000 2.328 406 Y HA 0.382 4.938 4.550 0.010 0.000 0.336 406 Y C -0.946 175.068 175.900 0.191 0.000 0.960 406 Y CA -1.072 57.070 58.100 0.070 0.000 1.134 406 Y CB 2.056 40.471 38.460 -0.076 0.000 1.166 406 Y HN -0.280 nan 8.280 nan 0.000 0.464 407 V N 5.126 125.275 119.914 0.393 0.000 2.709 407 V HA 0.465 4.591 4.120 0.010 0.000 0.308 407 V C -0.443 175.861 176.094 0.349 0.000 1.062 407 V CA -0.976 61.549 62.300 0.375 0.000 0.901 407 V CB 2.105 34.187 31.823 0.432 0.000 1.003 407 V HN 0.772 nan 8.190 nan 0.000 0.425 408 M N 3.762 123.539 119.600 0.295 0.000 2.321 408 M HA 0.522 5.008 4.480 0.010 0.000 0.315 408 M C -0.240 176.093 176.300 0.055 0.000 1.052 408 M CA -0.329 55.065 55.300 0.157 0.000 0.936 408 M CB 2.347 35.053 32.600 0.176 0.000 1.639 408 M HN 0.813 nan 8.290 nan 0.000 0.433 409 S N 2.433 118.023 115.700 -0.183 0.000 2.593 409 S HA 0.858 5.334 4.470 0.010 0.000 0.297 409 S C -1.002 173.295 174.600 -0.505 0.000 1.112 409 S CA -0.585 57.401 58.200 -0.356 0.000 1.043 409 S CB 1.320 64.145 63.200 -0.624 0.000 1.054 409 S HN 0.463 nan 8.310 nan 0.000 0.516 410 F N 0.377 120.234 119.950 -0.154 0.000 2.565 410 F HA 0.624 5.158 4.527 0.010 0.000 0.313 410 F C -0.236 175.546 175.800 -0.030 0.000 1.091 410 F CA -0.674 57.302 58.000 -0.040 0.000 0.915 410 F CB 2.333 41.344 39.000 0.018 0.000 1.208 410 F HN 0.812 nan 8.300 nan 0.000 0.453 411 D N 1.732 122.244 120.400 0.186 0.000 2.934 411 D HA 0.517 5.164 4.640 0.010 0.000 0.230 411 D C -1.545 174.843 176.300 0.148 0.000 1.204 411 D CA -0.358 53.721 54.000 0.132 0.000 0.873 411 D CB 1.563 42.407 40.800 0.073 0.000 1.645 411 D HN 0.455 nan 8.370 nan 0.000 0.502 412 L N 2.838 124.136 121.223 0.125 0.000 2.367 412 L HA 0.305 4.651 4.340 0.010 0.000 0.275 412 L C 0.509 177.414 176.870 0.059 0.000 1.129 412 L CA -0.220 54.666 54.840 0.077 0.000 0.839 412 L CB 1.144 43.214 42.059 0.018 0.000 1.133 412 L HN 0.480 nan 8.230 nan 0.000 0.453 413 T N 2.096 116.695 114.554 0.075 0.000 2.867 413 T HA -0.032 4.324 4.350 0.010 0.000 0.297 413 T C 0.682 175.401 174.700 0.030 0.000 0.989 413 T CA -0.161 61.999 62.100 0.100 0.000 1.159 413 T CB 0.363 69.349 68.868 0.196 0.000 0.928 413 T HN 0.743 nan 8.240 nan 0.000 0.538 414 S N 2.230 117.973 115.700 0.073 0.000 3.229 414 S HA -0.156 4.320 4.470 0.010 0.000 0.319 414 S C 1.229 175.795 174.600 -0.058 0.000 0.897 414 S CA -0.144 58.077 58.200 0.035 0.000 1.333 414 S CB -1.078 62.192 63.200 0.116 0.000 0.914 414 S HN 0.659 nan 8.310 nan 0.000 0.498 415 L N 2.552 123.760 121.223 -0.025 0.000 1.956 415 L HA -0.137 4.209 4.340 0.010 0.000 0.216 415 L C 1.960 178.893 176.870 0.106 0.000 1.073 415 L CA 2.127 56.975 54.840 0.014 0.000 0.762 415 L CB -0.608 41.493 42.059 0.070 0.000 0.889 415 L HN 0.622 nan 8.230 nan 0.000 0.433 416 Y N -0.196 120.057 120.300 -0.078 0.000 2.181 416 Y HA -0.084 4.472 4.550 0.010 0.000 0.288 416 Y C -0.121 175.675 175.900 -0.173 0.000 1.146 416 Y CA 0.809 58.849 58.100 -0.099 0.000 1.164 416 Y CB -2.466 35.965 38.460 -0.048 0.000 0.982 416 Y HN 0.321 nan 8.280 nan 0.000 0.515 417 P HA -0.090 nan 4.420 nan 0.000 0.217 417 P C 1.872 179.005 177.300 -0.278 0.000 1.150 417 P CA 2.123 65.136 63.100 -0.145 0.000 0.832 417 P CB 0.054 31.691 31.700 -0.105 0.000 0.787 418 S N -0.768 114.739 115.700 -0.322 0.000 2.382 418 S HA -0.103 4.373 4.470 0.010 0.000 0.228 418 S C 1.854 176.214 174.600 -0.400 0.000 1.027 418 S CA 1.001 58.950 58.200 -0.417 0.000 0.991 418 S CB -1.042 61.901 63.200 -0.428 0.000 0.823 418 S HN 0.118 nan 8.310 nan 0.000 0.469 419 I N 1.206 121.567 120.570 -0.349 0.000 2.179 419 I HA -0.184 3.992 4.170 0.010 0.000 0.242 419 I C 2.052 177.843 176.117 -0.543 0.000 1.088 419 I CA 1.178 62.170 61.300 -0.514 0.000 1.357 419 I CB -0.385 37.361 38.000 -0.424 0.000 1.051 419 I HN 0.238 nan 8.210 nan 0.000 0.409 420 I N 0.481 120.803 120.570 -0.413 0.000 2.194 420 I HA -0.331 3.845 4.170 0.010 0.000 0.246 420 I C 2.739 178.629 176.117 -0.378 0.000 1.093 420 I CA 1.613 62.675 61.300 -0.397 0.000 1.355 420 I CB -0.323 37.490 38.000 -0.313 0.000 1.046 420 I HN 0.178 nan 8.210 nan 0.000 0.413 421 R N -0.016 120.279 120.500 -0.340 0.000 2.062 421 R HA -0.188 4.158 4.340 0.010 0.000 0.229 421 R C 2.289 178.411 176.300 -0.297 0.000 1.128 421 R CA 1.392 57.320 56.100 -0.287 0.000 0.960 421 R CB -0.395 29.741 30.300 -0.274 0.000 0.855 421 R HN 0.410 nan 8.270 nan 0.000 0.432 422 Q N 0.813 120.393 119.800 -0.367 0.000 2.050 422 Q HA -0.130 4.216 4.340 0.010 0.000 0.202 422 Q C 1.803 177.605 176.000 -0.330 0.000 0.980 422 Q CA 1.803 57.399 55.803 -0.345 0.000 0.840 422 Q CB 0.123 28.614 28.738 -0.411 0.000 0.898 422 Q HN 0.158 nan 8.270 nan 0.000 0.424 423 V N 0.880 120.513 119.914 -0.468 0.000 2.788 423 V HA -0.065 4.061 4.120 0.010 0.000 0.251 423 V C 0.538 176.411 176.094 -0.369 0.000 1.068 423 V CA 0.944 62.986 62.300 -0.431 0.000 1.090 423 V CB -0.842 30.613 31.823 -0.614 0.000 0.710 423 V HN 0.731 nan 8.190 nan 0.000 0.467 424 N N -0.106 118.360 118.700 -0.390 0.000 2.806 424 N HA -0.184 4.562 4.740 0.010 0.000 0.248 424 N C -0.589 174.596 175.510 -0.542 0.000 1.081 424 N CA 0.222 53.076 53.050 -0.326 0.000 0.680 424 N CB -1.542 36.862 38.487 -0.138 0.000 0.941 424 N HN 0.526 nan 8.380 nan 0.000 0.554 425 I N 0.523 120.676 120.570 -0.694 0.000 2.337 425 I HA 0.331 4.507 4.170 0.010 0.000 0.291 425 I C 0.672 176.531 176.117 -0.429 0.000 1.046 425 I CA 0.066 60.835 61.300 -0.886 0.000 1.324 425 I CB 1.208 38.752 38.000 -0.760 0.000 1.409 425 I HN 0.272 nan 8.210 nan 0.000 0.494 426 S N 7.030 122.576 115.700 -0.256 0.000 2.567 426 S HA 0.411 4.888 4.470 0.010 0.000 0.270 426 S C -2.063 172.524 174.600 -0.020 0.000 1.152 426 S CA -0.970 57.149 58.200 -0.134 0.000 0.835 426 S CB 1.810 64.933 63.200 -0.128 0.000 1.115 426 S HN 0.317 nan 8.310 nan 0.000 0.459 427 P HA -0.137 nan 4.420 nan 0.000 0.216 427 P C 0.921 178.290 177.300 0.114 0.000 1.153 427 P CA 1.336 64.474 63.100 0.062 0.000 0.858 427 P CB -0.005 31.734 31.700 0.066 0.000 0.789 428 E N 0.208 120.413 120.200 0.009 0.000 2.479 428 E HA -0.015 4.341 4.350 0.010 0.000 0.193 428 E C 0.876 177.573 176.600 0.162 0.000 1.049 428 E CA 0.866 57.293 56.400 0.045 0.000 0.870 428 E CB -0.951 28.679 29.700 -0.117 0.000 0.944 428 E HN 0.269 nan 8.360 nan 0.000 0.492 429 T N -1.159 113.451 114.554 0.093 0.000 3.069 429 T HA 0.334 4.690 4.350 0.010 0.000 0.252 429 T C 1.019 175.526 174.700 -0.320 0.000 1.053 429 T CA -0.474 61.653 62.100 0.045 0.000 0.964 429 T CB -0.420 68.519 68.868 0.119 0.000 1.005 429 T HN 0.019 nan 8.240 nan 0.000 0.532 430 I N 2.174 122.594 120.570 -0.251 0.000 2.662 430 I HA 0.230 4.406 4.170 0.010 0.000 0.285 430 I C 1.446 177.062 176.117 -0.835 0.000 1.161 430 I CA -0.249 60.743 61.300 -0.513 0.000 1.415 430 I CB 0.784 38.608 38.000 -0.294 0.000 1.385 430 I HN 0.295 nan 8.210 nan 0.000 0.552 431 A N 4.987 127.199 122.820 -1.013 0.000 2.140 431 A HA 0.628 4.954 4.320 0.010 0.000 0.209 431 A C 0.958 178.154 177.584 -0.647 0.000 1.181 431 A CA 0.660 52.050 52.037 -1.078 0.000 0.824 431 A CB 0.200 18.225 19.000 -1.626 0.000 0.879 431 A HN 0.921 nan 8.150 nan 0.000 0.480 432 G N -1.581 106.904 108.800 -0.524 0.000 2.339 432 G HA2 0.445 4.411 3.960 0.010 0.000 0.275 432 G HA3 0.445 4.411 3.960 0.010 0.000 0.275 432 G C -0.443 174.296 174.900 -0.269 0.000 1.323 432 G CA 0.143 45.057 45.100 -0.310 0.000 0.927 432 G HN 1.049 nan 8.290 nan 0.000 0.486 433 T N -1.698 112.763 114.554 -0.155 0.000 2.916 433 T HA 0.859 5.215 4.350 0.010 0.000 0.292 433 T C -0.502 174.201 174.700 0.006 0.000 1.064 433 T CA -0.211 61.797 62.100 -0.153 0.000 1.011 433 T CB 2.077 70.824 68.868 -0.202 0.000 1.152 433 T HN 1.809 nan 8.240 nan 0.000 0.510 434 F N -1.091 118.818 119.950 -0.067 0.000 2.631 434 F HA 0.795 5.329 4.527 0.010 0.000 0.328 434 F C -0.251 175.548 175.800 -0.003 0.000 1.067 434 F CA -1.686 56.301 58.000 -0.022 0.000 0.969 434 F CB 1.507 40.502 39.000 -0.009 0.000 1.332 434 F HN 0.673 nan 8.300 nan 0.000 0.490 435 K N 2.040 122.572 120.400 0.221 0.000 2.310 435 K HA 0.460 4.786 4.320 0.010 0.000 0.290 435 K C -1.128 175.600 176.600 0.214 0.000 1.077 435 K CA -0.421 55.936 56.287 0.117 0.000 0.922 435 K CB 0.573 33.149 32.500 0.126 0.000 1.057 435 K HN 0.634 nan 8.250 nan 0.000 0.479 436 V N 3.676 123.614 119.914 0.041 0.000 2.686 436 V HA 0.309 4.435 4.120 0.010 0.000 0.295 436 V C 0.572 176.790 176.094 0.206 0.000 1.055 436 V CA -0.564 61.839 62.300 0.171 0.000 1.050 436 V CB 1.029 32.853 31.823 0.003 0.000 0.984 436 V HN 0.918 nan 8.190 nan 0.000 0.482 437 A N 6.250 129.231 122.820 0.268 0.000 2.256 437 A HA 0.835 5.162 4.320 0.010 0.000 0.318 437 A C -2.558 175.062 177.584 0.060 0.000 1.103 437 A CA -1.974 50.077 52.037 0.023 0.000 0.860 437 A CB 0.346 19.195 19.000 -0.252 0.000 1.182 437 A HN 0.696 nan 8.150 nan 0.000 0.501 438 P HA 0.043 nan 4.420 nan 0.000 0.266 438 P C 0.908 178.274 177.300 0.109 0.000 1.195 438 P CA -0.194 62.948 63.100 0.070 0.000 0.768 438 P CB 0.395 32.129 31.700 0.055 0.000 0.838 439 L N 4.036 125.376 121.223 0.194 0.000 2.081 439 L HA -0.244 4.102 4.340 0.010 0.000 0.212 439 L C 2.213 179.204 176.870 0.201 0.000 1.080 439 L CA 2.105 57.102 54.840 0.262 0.000 0.754 439 L CB -1.326 40.835 42.059 0.170 0.000 0.893 439 L HN 0.524 nan 8.230 nan 0.000 0.433 440 H N -0.897 118.199 119.070 0.044 0.000 2.390 440 H HA -0.188 4.374 4.556 0.010 0.000 0.298 440 H C 1.731 177.060 175.328 0.001 0.000 1.106 440 H CA 2.212 58.264 56.048 0.007 0.000 1.297 440 H CB -0.050 29.704 29.762 -0.013 0.000 1.375 440 H HN 0.441 nan 8.280 nan 0.000 0.509 441 D N -0.609 119.784 120.400 -0.011 0.000 2.183 441 D HA -0.130 4.516 4.640 0.010 0.000 0.203 441 D C 1.659 177.897 176.300 -0.102 0.000 0.969 441 D CA 1.009 54.930 54.000 -0.130 0.000 0.842 441 D CB -0.327 40.353 40.800 -0.200 0.000 0.957 441 D HN 0.506 nan 8.370 nan 0.000 0.484 442 Y N 0.831 121.228 120.300 0.162 0.000 2.220 442 Y HA 0.026 4.582 4.550 0.010 0.000 0.291 442 Y C 2.412 178.533 175.900 0.368 0.000 1.129 442 Y CA 0.204 58.484 58.100 0.300 0.000 1.161 442 Y CB -0.576 37.974 38.460 0.151 0.000 0.997 442 Y HN -0.078 nan 8.280 nan 0.000 0.522 443 I N 0.280 121.031 120.570 0.302 0.000 2.208 443 I HA -0.341 3.835 4.170 0.010 0.000 0.245 443 I C 1.377 177.475 176.117 -0.032 0.000 1.097 443 I CA 1.552 62.963 61.300 0.186 0.000 1.363 443 I CB -0.300 37.693 38.000 -0.012 0.000 1.051 443 I HN 0.289 nan 8.210 nan 0.000 0.413 444 N N 0.752 119.354 118.700 -0.164 0.000 2.270 444 N HA 0.195 4.941 4.740 0.010 0.000 0.198 444 N C 0.772 176.153 175.510 -0.215 0.000 1.117 444 N CA 0.813 53.693 53.050 -0.283 0.000 0.845 444 N CB 0.675 38.936 38.487 -0.377 0.000 0.980 444 N HN 0.276 nan 8.380 nan 0.000 0.486 445 A N 0.283 123.079 122.820 -0.040 0.000 2.822 445 A HA -0.187 4.139 4.320 0.010 0.000 0.287 445 A C 1.294 178.806 177.584 -0.120 0.000 1.479 445 A CA 1.095 53.065 52.037 -0.112 0.000 0.779 445 A CB -2.202 16.611 19.000 -0.311 0.000 1.022 445 A HN 0.268 nan 8.150 nan 0.000 0.532 446 V N -4.322 115.573 119.914 -0.031 0.000 3.621 446 V HA 0.681 4.807 4.120 0.010 0.000 0.263 446 V C 1.227 177.327 176.094 0.011 0.000 1.272 446 V CA 0.764 63.045 62.300 -0.032 0.000 1.080 446 V CB -0.528 31.264 31.823 -0.052 0.000 0.816 446 V HN 2.008 nan 8.190 nan 0.000 0.451 447 A N 1.109 123.940 122.820 0.018 0.000 2.425 447 A HA 0.299 4.625 4.320 0.010 0.000 0.242 447 A C 0.431 178.112 177.584 0.161 0.000 1.077 447 A CA -0.032 51.978 52.037 -0.043 0.000 0.781 447 A CB -0.015 18.673 19.000 -0.520 0.000 1.020 447 A HN 0.623 nan 8.150 nan 0.000 0.494 448 E N 0.580 120.844 120.200 0.107 0.000 2.452 448 E HA 0.001 4.357 4.350 0.010 0.000 0.261 448 E C 0.377 177.081 176.600 0.174 0.000 0.987 448 E CA -0.095 56.385 56.400 0.134 0.000 0.926 448 E CB 0.336 30.088 29.700 0.087 0.000 0.934 448 E HN 0.536 nan 8.360 nan 0.000 0.452 449 R N 5.010 125.611 120.500 0.168 0.000 2.480 449 R HA -0.007 4.339 4.340 0.010 0.000 0.303 449 R C -1.726 174.489 176.300 -0.142 0.000 0.985 449 R CA -0.886 55.245 56.100 0.051 0.000 1.051 449 R CB 0.440 30.801 30.300 0.101 0.000 0.935 449 R HN 0.435 nan 8.270 nan 0.000 0.410 450 P HA -0.105 nan 4.420 nan 0.000 0.215 450 P C -0.326 176.676 177.300 -0.495 0.000 1.153 450 P CA 1.037 63.650 63.100 -0.812 0.000 0.853 450 P CB 0.310 31.015 31.700 -1.658 0.000 0.788 451 S N -2.164 113.345 115.700 -0.318 0.000 2.537 451 S HA 0.224 4.700 4.470 0.010 0.000 0.271 451 S C -0.796 173.738 174.600 -0.110 0.000 1.148 451 S CA -0.674 57.434 58.200 -0.154 0.000 0.868 451 S CB 0.813 63.964 63.200 -0.082 0.000 1.115 451 S HN -0.153 nan 8.310 nan 0.000 0.461 452 D N 2.681 123.026 120.400 -0.092 0.000 2.395 452 D HA 0.233 4.879 4.640 0.010 0.000 0.213 452 D C 0.930 177.151 176.300 -0.132 0.000 1.110 452 D CA 0.456 54.404 54.000 -0.086 0.000 0.835 452 D CB 0.915 41.677 40.800 -0.063 0.000 0.965 452 D HN 0.300 nan 8.370 nan 0.000 0.505 453 V N -0.293 119.497 119.914 -0.207 0.000 3.159 453 V HA 0.108 4.234 4.120 0.010 0.000 0.234 453 V C -0.115 175.730 176.094 -0.415 0.000 1.313 453 V CA 0.302 62.358 62.300 -0.406 0.000 1.271 453 V CB 0.532 31.934 31.823 -0.702 0.000 1.053 453 V HN -0.079 nan 8.190 nan 0.000 0.476 454 Y N 0.120 120.422 120.300 0.003 0.000 2.567 454 Y HA 0.669 5.226 4.550 0.010 0.000 0.333 454 Y C 0.510 176.409 175.900 -0.002 0.000 1.106 454 Y CA -1.271 56.840 58.100 0.019 0.000 1.157 454 Y CB 1.456 39.921 38.460 0.008 0.000 1.277 454 Y HN -0.037 nan 8.280 nan 0.000 0.490 455 S N 0.800 116.637 115.700 0.229 0.000 2.499 455 S HA 0.587 5.063 4.470 0.010 0.000 0.279 455 S C -0.920 173.781 174.600 0.168 0.000 1.219 455 S CA -0.361 57.919 58.200 0.132 0.000 1.062 455 S CB -0.381 62.878 63.200 0.099 0.000 0.978 455 S HN 0.655 nan 8.310 nan 0.000 0.489 456 C N 3.723 123.079 119.300 0.092 0.000 2.614 456 C HA 0.854 5.320 4.460 0.010 0.000 0.320 456 C C 0.073 175.175 174.990 0.186 0.000 1.200 456 C CA -0.858 58.238 59.018 0.131 0.000 1.700 456 C CB 1.322 28.997 27.740 -0.108 0.000 2.275 456 C HN 0.964 nan 8.230 nan 0.000 0.492 457 S N 1.680 117.544 115.700 0.274 0.000 2.532 457 S HA 0.516 4.992 4.470 0.010 0.000 0.301 457 S C -2.258 172.437 174.600 0.157 0.000 1.083 457 S CA -1.106 57.253 58.200 0.265 0.000 1.025 457 S CB 1.616 64.949 63.200 0.221 0.000 1.056 457 S HN 0.644 nan 8.310 nan 0.000 0.494 458 P HA -0.052 nan 4.420 nan 0.000 0.239 458 P C 0.513 177.756 177.300 -0.094 0.000 1.184 458 P CA 0.593 63.559 63.100 -0.224 0.000 0.760 458 P CB -0.304 31.203 31.700 -0.323 0.000 0.884 459 N N -0.089 118.571 118.700 -0.066 0.000 2.461 459 N HA -0.015 4.732 4.740 0.010 0.000 0.188 459 N C 1.310 176.645 175.510 -0.292 0.000 1.134 459 N CA 1.012 53.995 53.050 -0.112 0.000 0.878 459 N CB -0.761 37.689 38.487 -0.063 0.000 0.972 459 N HN 0.187 nan 8.380 nan 0.000 0.456 460 G N -0.426 108.032 108.800 -0.569 0.000 2.179 460 G HA2 -0.189 3.777 3.960 0.010 0.000 0.220 460 G HA3 -0.189 3.777 3.960 0.010 0.000 0.220 460 G C -0.168 174.255 174.900 -0.795 0.000 0.990 460 G CA 0.001 44.355 45.100 -1.242 0.000 0.646 460 G HN 0.199 nan 8.290 nan 0.000 0.517 461 M N 0.676 120.081 119.600 -0.324 0.000 2.277 461 M HA 0.677 5.163 4.480 0.010 0.000 0.350 461 M C 0.580 176.782 176.300 -0.163 0.000 1.180 461 M CA 0.110 55.242 55.300 -0.280 0.000 1.103 461 M CB 1.045 33.488 32.600 -0.261 0.000 1.577 461 M HN 0.203 nan 8.290 nan 0.000 0.459 462 M N 2.371 121.718 119.600 -0.422 0.000 2.535 462 M HA 0.522 5.008 4.480 0.010 0.000 0.314 462 M C -1.604 174.216 176.300 -0.801 0.000 1.153 462 M CA -0.579 54.528 55.300 -0.322 0.000 0.924 462 M CB 2.216 34.751 32.600 -0.108 0.000 1.710 462 M HN 0.457 nan 8.290 nan 0.000 0.451 463 Y N -0.268 119.924 120.300 -0.179 0.000 2.545 463 Y HA 0.473 5.029 4.550 0.010 0.000 0.348 463 Y C -0.696 175.139 175.900 -0.108 0.000 1.002 463 Y CA -0.905 57.033 58.100 -0.270 0.000 1.039 463 Y CB 1.360 39.715 38.460 -0.175 0.000 1.271 463 Y HN 0.469 nan 8.280 nan 0.000 0.467 464 Y N 1.536 121.903 120.300 0.111 0.000 2.683 464 Y HA 0.015 4.572 4.550 0.010 0.000 0.340 464 Y C 1.050 177.048 175.900 0.163 0.000 1.245 464 Y CA 0.115 58.320 58.100 0.175 0.000 1.485 464 Y CB 0.680 39.199 38.460 0.098 0.000 1.328 464 Y HN 0.546 nan 8.280 nan 0.000 0.603 465 K N 0.892 121.497 120.400 0.341 0.000 2.374 465 K HA -0.032 4.294 4.320 0.010 0.000 0.202 465 K C 0.782 177.447 176.600 0.107 0.000 1.040 465 K CA 0.348 56.738 56.287 0.172 0.000 1.085 465 K CB 0.324 32.898 32.500 0.123 0.000 0.873 465 K HN 0.723 nan 8.250 nan 0.000 0.539 466 D N 2.027 122.492 120.400 0.108 0.000 2.194 466 D HA -0.127 4.519 4.640 0.010 0.000 0.204 466 D C 0.614 176.927 176.300 0.022 0.000 0.964 466 D CA 0.752 54.773 54.000 0.035 0.000 0.846 466 D CB 0.205 40.998 40.800 -0.013 0.000 0.962 466 D HN 0.177 nan 8.370 nan 0.000 0.490 467 R N -0.467 120.058 120.500 0.040 0.000 2.680 467 R HA 0.346 4.692 4.340 0.010 0.000 0.269 467 R C -1.628 174.692 176.300 0.034 0.000 1.026 467 R CA -0.793 55.321 56.100 0.023 0.000 0.889 467 R CB 0.784 31.085 30.300 0.003 0.000 1.241 467 R HN -0.342 nan 8.270 nan 0.000 0.463 468 D N 1.202 121.608 120.400 0.010 0.000 2.424 468 D HA 0.199 4.845 4.640 0.010 0.000 0.244 468 D C 0.464 176.758 176.300 -0.009 0.000 1.134 468 D CA 0.679 54.674 54.000 -0.008 0.000 0.881 468 D CB 1.240 42.030 40.800 -0.017 0.000 1.191 468 D HN 0.647 nan 8.370 nan 0.000 0.445 469 G N 0.508 109.291 108.800 -0.029 0.000 2.636 469 G HA2 0.121 4.087 3.960 0.010 0.000 0.246 469 G HA3 0.121 4.087 3.960 0.010 0.000 0.246 469 G C 1.199 176.061 174.900 -0.064 0.000 1.216 469 G CA -0.597 44.475 45.100 -0.046 0.000 0.854 469 G HN 0.379 nan 8.290 nan 0.000 0.572 470 V N 1.157 121.021 119.914 -0.083 0.000 2.515 470 V HA -0.132 3.994 4.120 0.010 0.000 0.250 470 V C 2.793 178.838 176.094 -0.083 0.000 1.058 470 V CA 1.961 64.216 62.300 -0.076 0.000 1.064 470 V CB -0.319 31.444 31.823 -0.101 0.000 0.675 470 V HN 0.452 nan 8.190 nan 0.000 0.461 471 V N 0.813 120.641 119.914 -0.145 0.000 2.261 471 V HA -0.110 4.016 4.120 0.010 0.000 0.246 471 V C 0.235 176.236 176.094 -0.153 0.000 1.047 471 V CA 2.696 64.891 62.300 -0.175 0.000 1.015 471 V CB -1.812 29.877 31.823 -0.223 0.000 0.642 471 V HN 0.506 nan 8.190 nan 0.000 0.446 472 P HA -0.125 nan 4.420 nan 0.000 0.215 472 P C 1.832 179.100 177.300 -0.052 0.000 1.153 472 P CA 1.790 64.814 63.100 -0.127 0.000 0.853 472 P CB -0.222 31.394 31.700 -0.139 0.000 0.788 473 T N -0.264 114.275 114.554 -0.023 0.000 2.684 473 T HA -0.143 4.213 4.350 0.010 0.000 0.267 473 T C 1.577 176.332 174.700 0.091 0.000 1.036 473 T CA 1.310 63.427 62.100 0.028 0.000 1.148 473 T CB -0.602 68.280 68.868 0.024 0.000 0.863 473 T HN 0.176 nan 8.240 nan 0.000 0.436 474 E N 0.548 120.819 120.200 0.119 0.000 2.112 474 E HA 0.129 4.486 4.350 0.010 0.000 0.190 474 E C 2.202 179.015 176.600 0.355 0.000 0.979 474 E CA 0.305 56.865 56.400 0.266 0.000 0.814 474 E CB -0.364 29.546 29.700 0.350 0.000 0.762 474 E HN 0.446 nan 8.360 nan 0.000 0.460 475 I N 1.238 121.911 120.570 0.172 0.000 2.361 475 I HA -0.236 3.940 4.170 0.010 0.000 0.251 475 I C 1.790 178.034 176.117 0.213 0.000 1.133 475 I CA 1.068 62.461 61.300 0.155 0.000 1.413 475 I CB 0.069 38.007 38.000 -0.104 0.000 1.073 475 I HN 0.055 nan 8.210 nan 0.000 0.424 476 T N 0.576 115.224 114.554 0.157 0.000 2.821 476 T HA -0.179 4.177 4.350 0.010 0.000 0.267 476 T C 1.832 176.681 174.700 0.247 0.000 1.046 476 T CA 1.240 63.457 62.100 0.194 0.000 1.139 476 T CB -0.074 68.863 68.868 0.115 0.000 0.871 476 T HN 0.335 nan 8.240 nan 0.000 0.454 477 K N 0.559 121.094 120.400 0.225 0.000 2.026 477 K HA -0.047 4.279 4.320 0.010 0.000 0.208 477 K C 2.316 179.003 176.600 0.145 0.000 1.048 477 K CA 1.065 57.474 56.287 0.203 0.000 0.929 477 K CB -0.382 32.287 32.500 0.281 0.000 0.713 477 K HN 0.148 nan 8.250 nan 0.000 0.439 478 V N 1.059 121.088 119.914 0.192 0.000 2.358 478 V HA -0.216 3.910 4.120 0.010 0.000 0.246 478 V C 1.964 178.125 176.094 0.113 0.000 1.047 478 V CA 1.522 63.876 62.300 0.089 0.000 1.035 478 V CB -0.569 31.364 31.823 0.184 0.000 0.658 478 V HN 0.231 nan 8.190 nan 0.000 0.452 479 F N 2.356 122.352 119.950 0.077 0.000 2.091 479 F HA -0.231 4.302 4.527 0.010 0.000 0.299 479 F C 2.261 178.070 175.800 0.014 0.000 1.103 479 F CA 2.059 60.084 58.000 0.042 0.000 1.228 479 F CB -0.498 38.522 39.000 0.034 0.000 0.984 479 F HN 0.178 nan 8.300 nan 0.000 0.477 480 N N 0.542 119.149 118.700 -0.154 0.000 2.166 480 N HA -0.188 4.558 4.740 0.010 0.000 0.186 480 N C 1.818 177.175 175.510 -0.255 0.000 1.019 480 N CA 1.627 54.524 53.050 -0.255 0.000 0.856 480 N CB -0.548 37.915 38.487 -0.040 0.000 0.993 480 N HN 0.558 nan 8.380 nan 0.000 0.426 481 Q N 0.119 119.824 119.800 -0.160 0.000 2.079 481 Q HA -0.037 4.310 4.340 0.010 0.000 0.200 481 Q C 2.146 178.083 176.000 -0.105 0.000 0.974 481 Q CA 0.817 56.546 55.803 -0.122 0.000 0.840 481 Q CB -0.020 28.663 28.738 -0.091 0.000 0.898 481 Q HN 0.224 nan 8.270 nan 0.000 0.430 482 R N 1.621 122.033 120.500 -0.146 0.000 2.081 482 R HA -0.156 4.190 4.340 0.010 0.000 0.235 482 R C 1.983 178.145 176.300 -0.231 0.000 1.131 482 R CA 1.585 57.608 56.100 -0.127 0.000 0.960 482 R CB -0.160 30.079 30.300 -0.101 0.000 0.856 482 R HN 0.124 nan 8.270 nan 0.000 0.436 483 K N 0.672 120.812 120.400 -0.433 0.000 2.063 483 K HA -0.193 4.133 4.320 0.010 0.000 0.208 483 K C 2.012 178.383 176.600 -0.381 0.000 1.048 483 K CA 1.815 57.839 56.287 -0.440 0.000 0.928 483 K CB -0.138 31.998 32.500 -0.606 0.000 0.713 483 K HN 0.258 nan 8.250 nan 0.000 0.442 484 E N -0.306 119.636 120.200 -0.431 0.000 2.051 484 E HA -0.234 4.122 4.350 0.010 0.000 0.192 484 E C 1.895 177.944 176.600 -0.917 0.000 0.991 484 E CA 1.204 57.223 56.400 -0.634 0.000 0.799 484 E CB 0.013 29.361 29.700 -0.587 0.000 0.748 484 E HN 0.474 nan 8.360 nan 0.000 0.449 485 H N 0.095 118.885 119.070 -0.467 0.000 2.395 485 H HA -0.039 4.524 4.556 0.011 0.000 0.299 485 H C 2.113 177.292 175.328 -0.247 0.000 1.070 485 H CA 1.270 57.134 56.048 -0.306 0.000 1.356 485 H CB 0.002 29.693 29.762 -0.117 0.000 1.401 485 H HN 0.146 nan 8.280 nan 0.000 0.524 486 K N 0.715 121.035 120.400 -0.132 0.000 2.097 486 K HA -0.102 4.225 4.320 0.010 0.000 0.206 486 K C 2.362 178.868 176.600 -0.156 0.000 1.049 486 K CA 1.120 57.336 56.287 -0.118 0.000 0.933 486 K CB -0.175 32.257 32.500 -0.112 0.000 0.717 486 K HN 0.238 nan 8.250 nan 0.000 0.442 487 G N 0.151 108.789 108.800 -0.271 0.000 2.446 487 G HA2 -0.254 3.712 3.960 0.010 0.000 0.217 487 G HA3 -0.254 3.712 3.960 0.010 0.000 0.217 487 G C 1.070 175.857 174.900 -0.189 0.000 1.168 487 G CA 0.944 45.887 45.100 -0.262 0.000 0.771 487 G HN 0.273 nan 8.290 nan 0.000 0.551 488 Y N 0.004 120.182 120.300 -0.202 0.000 2.181 488 Y HA -0.020 4.536 4.550 0.010 0.000 0.288 488 Y C 2.813 178.611 175.900 -0.170 0.000 1.146 488 Y CA 0.784 58.731 58.100 -0.256 0.000 1.164 488 Y CB -0.850 37.468 38.460 -0.238 0.000 0.982 488 Y HN 0.179 nan 8.280 nan 0.000 0.515 489 M N -0.577 119.040 119.600 0.029 0.000 2.086 489 M HA -0.196 4.290 4.480 0.010 0.000 0.261 489 M C 1.846 178.122 176.300 -0.040 0.000 1.067 489 M CA 1.804 57.098 55.300 -0.010 0.000 1.116 489 M CB -0.330 32.261 32.600 -0.016 0.000 1.348 489 M HN 0.304 nan 8.290 nan 0.000 0.407 490 L N -0.032 121.157 121.223 -0.055 0.000 2.093 490 L HA -0.113 4.233 4.340 0.010 0.000 0.208 490 L C 2.768 179.591 176.870 -0.077 0.000 1.085 490 L CA 0.990 55.792 54.840 -0.064 0.000 0.755 490 L CB -0.965 41.053 42.059 -0.068 0.000 0.904 490 L HN 0.380 nan 8.230 nan 0.000 0.435 491 A N 0.247 123.018 122.820 -0.082 0.000 1.902 491 A HA -0.181 4.146 4.320 0.010 0.000 0.217 491 A C 2.542 180.041 177.584 -0.140 0.000 1.181 491 A CA 1.769 53.742 52.037 -0.105 0.000 0.623 491 A CB -0.710 18.229 19.000 -0.101 0.000 0.818 491 A HN 0.387 nan 8.150 nan 0.000 0.443 492 A N -1.000 121.757 122.820 -0.105 0.000 1.933 492 A HA -0.207 4.119 4.320 0.010 0.000 0.218 492 A C 2.182 179.711 177.584 -0.093 0.000 1.175 492 A CA 1.784 53.767 52.037 -0.090 0.000 0.628 492 A CB -0.525 18.438 19.000 -0.061 0.000 0.814 492 A HN 0.675 nan 8.150 nan 0.000 0.444 493 Q N -0.515 119.239 119.800 -0.076 0.000 2.046 493 Q HA -0.169 4.177 4.340 0.010 0.000 0.200 493 Q C 2.351 178.313 176.000 -0.063 0.000 0.975 493 Q CA 1.441 57.213 55.803 -0.052 0.000 0.836 493 Q CB -0.103 28.614 28.738 -0.036 0.000 0.896 493 Q HN 0.669 nan 8.270 nan 0.000 0.428 494 R N 0.119 120.562 120.500 -0.095 0.000 2.081 494 R HA -0.109 4.237 4.340 0.010 0.000 0.235 494 R C 2.050 178.279 176.300 -0.118 0.000 1.131 494 R CA 1.413 57.452 56.100 -0.102 0.000 0.960 494 R CB -0.300 29.935 30.300 -0.107 0.000 0.856 494 R HN 0.334 nan 8.270 nan 0.000 0.436 495 N N 0.209 118.774 118.700 -0.226 0.000 2.166 495 N HA -0.116 4.630 4.740 0.010 0.000 0.186 495 N C 1.840 177.321 175.510 -0.049 0.000 1.019 495 N CA 1.531 54.355 53.050 -0.376 0.000 0.856 495 N CB -0.651 37.327 38.487 -0.850 0.000 0.993 495 N HN 0.346 nan 8.380 nan 0.000 0.426 496 G N 1.551 110.336 108.800 -0.026 0.000 2.442 496 G HA2 -0.226 3.740 3.960 0.010 0.000 0.219 496 G HA3 -0.226 3.740 3.960 0.010 0.000 0.219 496 G C 1.431 176.360 174.900 0.049 0.000 1.141 496 G CA 0.623 45.739 45.100 0.027 0.000 0.763 496 G HN 0.251 nan 8.290 nan 0.000 0.554 497 E N 0.464 120.687 120.200 0.038 0.000 2.150 497 E HA -0.027 4.329 4.350 0.010 0.000 0.193 497 E C 2.584 179.222 176.600 0.063 0.000 0.985 497 E CA 0.311 56.745 56.400 0.057 0.000 0.814 497 E CB -0.214 29.517 29.700 0.051 0.000 0.752 497 E HN 0.541 nan 8.360 nan 0.000 0.466 498 I N 0.812 121.433 120.570 0.084 0.000 2.208 498 I HA -0.271 3.906 4.170 0.010 0.000 0.245 498 I C 2.350 178.542 176.117 0.125 0.000 1.097 498 I CA 1.014 62.391 61.300 0.128 0.000 1.363 498 I CB -0.262 37.872 38.000 0.224 0.000 1.051 498 I HN 0.031 nan 8.210 nan 0.000 0.413 499 I N 0.488 121.150 120.570 0.154 0.000 2.252 499 I HA -0.269 3.908 4.170 0.010 0.000 0.245 499 I C 2.483 178.611 176.117 0.018 0.000 1.102 499 I CA 1.381 62.750 61.300 0.115 0.000 1.385 499 I CB -0.363 37.736 38.000 0.165 0.000 1.064 499 I HN 0.117 nan 8.210 nan 0.000 0.414 500 K N 0.548 120.945 120.400 -0.005 0.000 2.032 500 K HA -0.195 4.131 4.320 0.010 0.000 0.209 500 K C 2.090 178.531 176.600 -0.265 0.000 1.048 500 K CA 1.337 57.567 56.287 -0.095 0.000 0.927 500 K CB -0.140 32.339 32.500 -0.036 0.000 0.712 500 K HN 0.281 nan 8.250 nan 0.000 0.441 501 E N 0.477 120.594 120.200 -0.138 0.000 2.058 501 E HA -0.198 4.158 4.350 0.010 0.000 0.194 501 E C 2.084 178.612 176.600 -0.120 0.000 0.997 501 E CA 1.334 57.666 56.400 -0.112 0.000 0.801 501 E CB -0.206 29.529 29.700 0.060 0.000 0.746 501 E HN 0.334 nan 8.360 nan 0.000 0.450 502 A N 1.166 123.957 122.820 -0.049 0.000 1.972 502 A HA -0.107 4.220 4.320 0.010 0.000 0.219 502 A C 2.304 179.868 177.584 -0.033 0.000 1.169 502 A CA 0.811 52.844 52.037 -0.007 0.000 0.635 502 A CB -0.653 18.358 19.000 0.018 0.000 0.810 502 A HN 0.166 nan 8.150 nan 0.000 0.446 503 L N -0.661 120.499 121.223 -0.105 0.000 2.450 503 L HA -0.174 4.173 4.340 0.010 0.000 0.224 503 L C 2.217 179.059 176.870 -0.046 0.000 1.149 503 L CA 0.598 55.387 54.840 -0.085 0.000 0.816 503 L CB -0.520 41.480 42.059 -0.100 0.000 0.932 503 L HN 0.457 nan 8.230 nan 0.000 0.449 504 H N -0.456 118.638 119.070 0.039 0.000 2.423 504 H HA 0.039 4.601 4.556 0.010 0.000 0.297 504 H C 0.715 176.060 175.328 0.030 0.000 1.075 504 H CA 0.817 56.886 56.048 0.035 0.000 1.342 504 H CB 0.008 29.794 29.762 0.039 0.000 1.395 504 H HN 0.364 nan 8.280 nan 0.000 0.530 505 N N 1.549 120.329 118.700 0.133 0.000 2.813 505 N HA 0.132 4.878 4.740 0.010 0.000 0.282 505 N C -2.737 172.803 175.510 0.050 0.000 1.748 505 N CA -0.908 52.192 53.050 0.083 0.000 0.860 505 N CB 2.146 40.679 38.487 0.078 0.000 1.204 505 N HN 0.196 nan 8.380 nan 0.000 0.490 506 P HA 0.208 nan 4.420 nan 0.000 0.279 506 P C -0.520 176.794 177.300 0.023 0.000 1.239 506 P CA -0.255 62.862 63.100 0.027 0.000 0.789 506 P CB 0.993 32.707 31.700 0.023 0.000 0.933 507 N N 1.231 119.941 118.700 0.016 0.000 2.530 507 N HA 0.217 4.963 4.740 0.010 0.000 0.277 507 N C -0.122 175.394 175.510 0.011 0.000 1.168 507 N CA -0.281 52.777 53.050 0.013 0.000 0.979 507 N CB 0.158 38.650 38.487 0.009 0.000 1.141 507 N HN 0.337 nan 8.380 nan 0.000 0.459 508 L N 1.736 122.965 121.223 0.010 0.000 2.422 508 L HA 0.294 4.640 4.340 0.010 0.000 0.256 508 L C -0.037 176.837 176.870 0.006 0.000 1.202 508 L CA -0.286 54.559 54.840 0.008 0.000 1.119 508 L CB -1.012 41.052 42.059 0.009 0.000 1.383 508 L HN 0.633 nan 8.230 nan 0.000 0.411 509 S N 0.441 116.144 115.700 0.004 0.000 2.638 509 S HA 0.704 5.180 4.470 0.010 0.000 0.274 509 S C -0.762 173.839 174.600 0.002 0.000 1.157 509 S CA -0.869 57.333 58.200 0.002 0.000 0.826 509 S CB 2.265 65.466 63.200 0.002 0.000 1.139 509 S HN -0.070 nan 8.310 nan 0.000 0.474 510 V N 2.702 122.617 119.914 0.001 0.000 2.347 510 V HA 0.675 4.801 4.120 0.010 0.000 0.280 510 V C -0.910 175.184 176.094 -0.000 0.000 1.021 510 V CA -0.257 62.043 62.300 0.000 0.000 0.847 510 V CB 0.376 32.199 31.823 -0.000 0.000 0.990 510 V HN 1.081 nan 8.190 nan 0.000 0.444 511 D N 3.315 123.715 120.400 -0.000 0.000 2.759 511 D HA 0.574 5.220 4.640 0.010 0.000 0.321 511 D C -1.017 175.284 176.300 0.002 0.000 1.267 511 D CA -0.824 53.175 54.000 -0.001 0.000 0.933 511 D CB 1.235 42.033 40.800 -0.003 0.000 1.431 511 D HN 0.241 nan 8.370 nan 0.000 0.504 512 E N -0.433 119.768 120.200 0.001 0.000 2.263 512 E HA 0.469 4.825 4.350 0.010 0.000 0.264 512 E C -2.289 174.317 176.600 0.010 0.000 0.923 512 E CA -1.942 54.463 56.400 0.007 0.000 0.802 512 E CB 1.049 30.754 29.700 0.008 0.000 1.228 512 E HN 0.333 nan 8.360 nan 0.000 0.417 513 P HA 0.069 nan 4.420 nan 0.000 0.269 513 P C -0.193 177.118 177.300 0.018 0.000 1.209 513 P CA -0.471 62.653 63.100 0.039 0.000 0.776 513 P CB 0.500 32.250 31.700 0.083 0.000 0.876 514 L N 2.558 123.773 121.223 -0.013 0.000 2.426 514 L HA 0.103 4.449 4.340 0.010 0.000 0.271 514 L C 0.911 177.752 176.870 -0.048 0.000 1.169 514 L CA 0.536 55.338 54.840 -0.063 0.000 0.836 514 L CB -0.668 41.300 42.059 -0.153 0.000 1.112 514 L HN 0.359 nan 8.230 nan 0.000 0.465 515 D N 2.672 123.042 120.400 -0.049 0.000 2.422 515 D HA 0.384 5.031 4.640 0.010 0.000 0.227 515 D C -0.678 175.569 176.300 -0.088 0.000 1.190 515 D CA -0.074 53.906 54.000 -0.035 0.000 0.905 515 D CB 0.278 41.070 40.800 -0.012 0.000 1.034 515 D HN 0.252 nan 8.370 nan 0.000 0.507 516 V N 0.754 120.573 119.914 -0.158 0.000 3.102 516 V HA 0.578 4.705 4.120 0.010 0.000 0.312 516 V C -0.452 175.505 176.094 -0.229 0.000 1.135 516 V CA -1.123 61.041 62.300 -0.227 0.000 1.022 516 V CB 2.080 33.686 31.823 -0.362 0.000 1.056 516 V HN 0.221 nan 8.190 nan 0.000 0.436 517 D N 0.560 120.910 120.400 -0.083 0.000 2.396 517 D HA 0.367 5.013 4.640 0.010 0.000 0.225 517 D C 0.199 176.516 176.300 0.029 0.000 1.121 517 D CA -0.188 53.828 54.000 0.028 0.000 0.853 517 D CB 0.922 41.829 40.800 0.178 0.000 1.043 517 D HN 0.594 nan 8.370 nan 0.000 0.500 518 Y N 2.201 122.562 120.300 0.101 0.000 2.571 518 Y HA 0.014 4.570 4.550 0.010 0.000 0.294 518 Y C 2.103 177.917 175.900 -0.144 0.000 1.141 518 Y CA 0.422 58.527 58.100 0.008 0.000 1.308 518 Y CB 0.115 38.575 38.460 0.001 0.000 1.002 518 Y HN 0.275 nan 8.280 nan 0.000 0.551 519 R N -0.628 119.808 120.500 -0.107 0.000 2.316 519 R HA 0.027 4.373 4.340 0.010 0.000 0.202 519 R C -0.781 175.134 176.300 -0.643 0.000 1.029 519 R CA 0.474 56.319 56.100 -0.424 0.000 1.018 519 R CB -0.057 29.733 30.300 -0.851 0.000 0.888 519 R HN 0.122 nan 8.270 nan 0.000 0.471 520 F N 0.262 120.200 119.950 -0.020 0.000 2.540 520 F HA 0.227 4.760 4.527 0.010 0.000 0.317 520 F C 0.195 175.951 175.800 -0.074 0.000 1.104 520 F CA -1.578 56.416 58.000 -0.011 0.000 0.913 520 F CB 1.125 40.129 39.000 0.006 0.000 1.170 520 F HN -0.232 nan 8.300 nan 0.000 0.450 521 D N 2.347 122.808 120.400 0.101 0.000 2.533 521 D HA -0.043 4.603 4.640 0.010 0.000 0.236 521 D C -0.125 176.233 176.300 0.096 0.000 1.137 521 D CA 0.675 54.668 54.000 -0.012 0.000 0.867 521 D CB 0.483 41.297 40.800 0.023 0.000 1.170 521 D HN 0.081 nan 8.370 nan 0.000 0.474 522 F N 1.448 121.427 119.950 0.048 0.000 2.608 522 F HA -0.053 4.480 4.527 0.010 0.000 0.380 522 F C 1.693 177.501 175.800 0.014 0.000 1.083 522 F CA -0.787 57.224 58.000 0.018 0.000 1.266 522 F CB -0.145 38.862 39.000 0.011 0.000 1.076 522 F HN 0.084 nan 8.300 nan 0.000 0.574 523 S N 1.640 117.463 115.700 0.205 0.000 2.596 523 S HA 0.065 4.541 4.470 0.010 0.000 0.260 523 S C 0.909 175.555 174.600 0.075 0.000 1.336 523 S CA -0.647 57.611 58.200 0.097 0.000 0.993 523 S CB 0.743 63.970 63.200 0.046 0.000 0.923 523 S HN 0.553 nan 8.310 nan 0.000 0.567 524 D N 0.486 120.913 120.400 0.045 0.000 2.144 524 D HA -0.115 4.531 4.640 0.010 0.000 0.199 524 D C 1.753 178.058 176.300 0.009 0.000 0.984 524 D CA 1.504 55.522 54.000 0.031 0.000 0.834 524 D CB -0.356 40.457 40.800 0.022 0.000 0.955 524 D HN 0.843 nan 8.370 nan 0.000 0.465 525 E N 0.263 120.460 120.200 -0.005 0.000 2.072 525 E HA -0.130 4.226 4.350 0.010 0.000 0.191 525 E C 2.263 178.829 176.600 -0.056 0.000 0.985 525 E CA 0.497 56.882 56.400 -0.026 0.000 0.801 525 E CB -0.034 29.649 29.700 -0.029 0.000 0.750 525 E HN 0.234 nan 8.360 nan 0.000 0.452 526 I N 0.921 121.443 120.570 -0.080 0.000 2.226 526 I HA -0.276 3.900 4.170 0.010 0.000 0.245 526 I C 2.569 178.576 176.117 -0.182 0.000 1.100 526 I CA 1.163 62.350 61.300 -0.188 0.000 1.374 526 I CB -0.166 37.652 38.000 -0.304 0.000 1.057 526 I HN 0.033 nan 8.210 nan 0.000 0.413 527 K N 0.390 120.747 120.400 -0.071 0.000 2.063 527 K HA -0.191 4.136 4.320 0.010 0.000 0.208 527 K C 2.099 178.687 176.600 -0.020 0.000 1.048 527 K CA 1.254 57.534 56.287 -0.012 0.000 0.928 527 K CB -0.060 32.475 32.500 0.059 0.000 0.713 527 K HN 0.259 nan 8.250 nan 0.000 0.442 528 E N 0.889 121.076 120.200 -0.022 0.000 2.077 528 E HA -0.179 4.177 4.350 0.010 0.000 0.193 528 E C 1.858 178.440 176.600 -0.030 0.000 0.989 528 E CA 1.280 57.670 56.400 -0.017 0.000 0.800 528 E CB -0.025 29.667 29.700 -0.014 0.000 0.746 528 E HN 0.290 nan 8.360 nan 0.000 0.452 529 K N 0.441 120.808 120.400 -0.054 0.000 2.097 529 K HA -0.041 4.285 4.320 0.010 0.000 0.206 529 K C 2.313 178.876 176.600 -0.061 0.000 1.049 529 K CA 0.705 56.956 56.287 -0.060 0.000 0.933 529 K CB -0.148 32.303 32.500 -0.082 0.000 0.717 529 K HN 0.081 nan 8.250 nan 0.000 0.442 530 I N 1.469 121.990 120.570 -0.081 0.000 2.264 530 I HA -0.296 3.880 4.170 0.010 0.000 0.248 530 I C 1.834 177.939 176.117 -0.019 0.000 1.111 530 I CA 1.373 62.635 61.300 -0.062 0.000 1.382 530 I CB -0.094 37.861 38.000 -0.076 0.000 1.060 530 I HN 0.109 nan 8.210 nan 0.000 0.418 531 K N 0.579 120.974 120.400 -0.009 0.000 2.515 531 K HA -0.114 4.212 4.320 0.010 0.000 0.196 531 K C 1.367 177.969 176.600 0.005 0.000 1.038 531 K CA 0.794 57.085 56.287 0.007 0.000 0.967 531 K CB 0.033 32.541 32.500 0.013 0.000 0.780 531 K HN 0.345 nan 8.250 nan 0.000 0.483 532 K N 0.207 120.603 120.400 -0.005 0.000 2.358 532 K HA 0.191 4.517 4.320 0.010 0.000 0.200 532 K C 0.102 176.699 176.600 -0.004 0.000 1.030 532 K CA -0.115 56.169 56.287 -0.004 0.000 1.097 532 K CB 0.547 33.041 32.500 -0.009 0.000 0.862 532 K HN 0.009 nan 8.250 nan 0.000 0.534 533 L N 1.817 123.037 121.223 -0.005 0.000 2.399 533 L HA 0.141 4.487 4.340 0.010 0.000 0.266 533 L C 0.857 177.730 176.870 0.005 0.000 1.114 533 L CA -0.538 54.300 54.840 -0.003 0.000 0.804 533 L CB 1.173 43.228 42.059 -0.006 0.000 1.146 533 L HN 0.093 nan 8.230 nan 0.000 0.451 534 S N 1.004 116.707 115.700 0.005 0.000 2.589 534 S HA 0.213 4.689 4.470 0.010 0.000 0.265 534 S C 1.073 175.679 174.600 0.010 0.000 1.342 534 S CA -0.131 58.073 58.200 0.008 0.000 1.005 534 S CB 1.368 64.572 63.200 0.005 0.000 0.909 534 S HN 0.706 nan 8.310 nan 0.000 0.555 535 A N 1.546 124.373 122.820 0.011 0.000 1.933 535 A HA -0.116 4.210 4.320 0.010 0.000 0.218 535 A C 2.174 179.764 177.584 0.009 0.000 1.175 535 A CA 1.871 53.914 52.037 0.011 0.000 0.628 535 A CB -0.937 18.070 19.000 0.011 0.000 0.814 535 A HN 0.984 nan 8.150 nan 0.000 0.444 536 K N -0.280 120.123 120.400 0.005 0.000 2.026 536 K HA -0.113 4.213 4.320 0.010 0.000 0.208 536 K C 2.190 178.796 176.600 0.009 0.000 1.048 536 K CA 1.750 58.038 56.287 0.001 0.000 0.929 536 K CB -0.252 32.246 32.500 -0.003 0.000 0.713 536 K HN 0.376 nan 8.250 nan 0.000 0.439 537 S N 1.035 116.743 115.700 0.014 0.000 2.368 537 S HA -0.071 4.406 4.470 0.010 0.000 0.225 537 S C 1.848 176.472 174.600 0.039 0.000 1.030 537 S CA 1.182 59.396 58.200 0.024 0.000 0.999 537 S CB -0.224 62.985 63.200 0.016 0.000 0.844 537 S HN 0.242 nan 8.310 nan 0.000 0.459 538 L N 1.384 122.627 121.223 0.033 0.000 2.046 538 L HA -0.141 4.206 4.340 0.010 0.000 0.208 538 L C 2.071 178.974 176.870 0.055 0.000 1.077 538 L CA 1.256 56.123 54.840 0.045 0.000 0.747 538 L CB -0.681 41.395 42.059 0.028 0.000 0.896 538 L HN 0.317 nan 8.230 nan 0.000 0.432 539 N N -0.648 118.075 118.700 0.038 0.000 2.166 539 N HA -0.228 4.519 4.740 0.010 0.000 0.186 539 N C 1.802 177.352 175.510 0.067 0.000 1.019 539 N CA 0.874 53.948 53.050 0.041 0.000 0.856 539 N CB 0.018 38.514 38.487 0.015 0.000 0.993 539 N HN 0.213 nan 8.380 nan 0.000 0.426 540 E N 1.021 121.257 120.200 0.059 0.000 2.072 540 E HA -0.074 4.282 4.350 0.010 0.000 0.191 540 E C 1.770 178.454 176.600 0.140 0.000 0.985 540 E CA 1.264 57.715 56.400 0.084 0.000 0.801 540 E CB -0.067 29.665 29.700 0.053 0.000 0.750 540 E HN 0.327 nan 8.360 nan 0.000 0.452 541 M N -0.443 119.240 119.600 0.138 0.000 2.159 541 M HA -0.132 4.355 4.480 0.010 0.000 0.263 541 M C 2.116 178.465 176.300 0.082 0.000 1.063 541 M CA 0.998 56.417 55.300 0.199 0.000 1.110 541 M CB -0.274 32.477 32.600 0.252 0.000 1.374 541 M HN 0.212 nan 8.290 nan 0.000 0.411 542 L N 0.074 121.347 121.223 0.084 0.000 2.046 542 L HA -0.155 4.191 4.340 0.010 0.000 0.208 542 L C 2.182 179.041 176.870 -0.019 0.000 1.077 542 L CA 1.768 56.628 54.840 0.034 0.000 0.747 542 L CB -0.876 41.213 42.059 0.050 0.000 0.896 542 L HN 0.191 nan 8.230 nan 0.000 0.432 543 F N 0.447 120.337 119.950 -0.100 0.000 2.095 543 F HA -0.233 4.300 4.527 0.010 0.000 0.298 543 F C 2.553 178.242 175.800 -0.186 0.000 1.104 543 F CA 1.815 59.745 58.000 -0.116 0.000 1.232 543 F CB -0.239 38.713 39.000 -0.081 0.000 0.987 543 F HN 0.013 nan 8.300 nan 0.000 0.475 544 R N 0.118 120.505 120.500 -0.189 0.000 2.081 544 R HA -0.100 4.246 4.340 0.010 0.000 0.235 544 R C 2.494 178.300 176.300 -0.822 0.000 1.131 544 R CA 1.163 56.998 56.100 -0.442 0.000 0.960 544 R CB -0.872 29.263 30.300 -0.276 0.000 0.856 544 R HN 0.405 nan 8.270 nan 0.000 0.436 545 A N 1.168 123.400 122.820 -0.980 0.000 1.908 545 A HA -0.238 4.088 4.320 0.010 0.000 0.218 545 A C 2.041 179.403 177.584 -0.371 0.000 1.181 545 A CA 1.365 52.970 52.037 -0.719 0.000 0.627 545 A CB -0.403 18.414 19.000 -0.304 0.000 0.818 545 A HN 0.338 nan 8.150 nan 0.000 0.445 546 Q N -1.213 118.384 119.800 -0.337 0.000 2.119 546 Q HA -0.096 4.250 4.340 0.010 0.000 0.201 546 Q C 2.327 178.128 176.000 -0.332 0.000 0.972 546 Q CA 0.878 56.514 55.803 -0.277 0.000 0.847 546 Q CB -0.100 28.493 28.738 -0.241 0.000 0.903 546 Q HN 0.404 nan 8.270 nan 0.000 0.433 547 R N -0.067 120.144 120.500 -0.482 0.000 2.092 547 R HA -0.051 4.295 4.340 0.010 0.000 0.231 547 R C 2.180 178.328 176.300 -0.255 0.000 1.119 547 R CA 1.368 57.217 56.100 -0.420 0.000 0.970 547 R CB -0.932 29.049 30.300 -0.531 0.000 0.864 547 R HN 0.277 nan 8.270 nan 0.000 0.440 548 T N 0.990 115.399 114.554 -0.241 0.000 2.746 548 T HA -0.157 4.199 4.350 0.010 0.000 0.267 548 T C 1.709 176.348 174.700 -0.102 0.000 1.039 548 T CA 1.424 63.444 62.100 -0.133 0.000 1.142 548 T CB -0.084 68.740 68.868 -0.073 0.000 0.866 548 T HN 0.412 nan 8.240 nan 0.000 0.444 549 E N 0.497 120.625 120.200 -0.121 0.000 2.077 549 E HA -0.135 4.221 4.350 0.010 0.000 0.193 549 E C 2.220 178.778 176.600 -0.070 0.000 0.989 549 E CA 1.049 57.400 56.400 -0.083 0.000 0.800 549 E CB -0.081 29.567 29.700 -0.087 0.000 0.746 549 E HN 0.264 nan 8.360 nan 0.000 0.452 550 V N 1.242 121.098 119.914 -0.098 0.000 2.343 550 V HA -0.279 3.847 4.120 0.010 0.000 0.247 550 V C 2.463 178.521 176.094 -0.061 0.000 1.051 550 V CA 1.807 64.062 62.300 -0.075 0.000 1.036 550 V CB -0.786 30.974 31.823 -0.105 0.000 0.654 550 V HN 0.430 nan 8.190 nan 0.000 0.451 551 A N 0.537 123.310 122.820 -0.078 0.000 1.877 551 A HA -0.107 4.220 4.320 0.010 0.000 0.216 551 A C 2.444 180.006 177.584 -0.037 0.000 1.186 551 A CA 1.996 53.994 52.037 -0.065 0.000 0.620 551 A CB -1.291 17.669 19.000 -0.066 0.000 0.822 551 A HN 0.526 nan 8.150 nan 0.000 0.443 552 G N -0.557 108.240 108.800 -0.005 0.000 2.418 552 G HA2 -0.274 3.692 3.960 0.010 0.000 0.217 552 G HA3 -0.274 3.692 3.960 0.010 0.000 0.217 552 G C 1.661 176.561 174.900 -0.000 0.000 1.158 552 G CA 1.333 46.459 45.100 0.043 0.000 0.771 552 G HN 0.550 nan 8.290 nan 0.000 0.545 553 M N 0.531 120.124 119.600 -0.013 0.000 2.086 553 M HA -0.098 4.388 4.480 0.010 0.000 0.261 553 M C 2.558 178.859 176.300 0.001 0.000 1.067 553 M CA 2.193 57.486 55.300 -0.012 0.000 1.116 553 M CB -0.478 32.122 32.600 0.001 0.000 1.348 553 M HN 0.175 nan 8.290 nan 0.000 0.407 554 T N 1.124 115.695 114.554 0.028 0.000 2.684 554 T HA -0.120 4.236 4.350 0.010 0.000 0.267 554 T C 1.823 176.493 174.700 -0.050 0.000 1.036 554 T CA 1.776 63.923 62.100 0.078 0.000 1.148 554 T CB -0.589 68.341 68.868 0.104 0.000 0.863 554 T HN 0.630 nan 8.240 nan 0.000 0.436 555 A N 1.674 124.405 122.820 -0.148 0.000 1.902 555 A HA -0.192 4.134 4.320 0.010 0.000 0.217 555 A C 2.283 179.733 177.584 -0.223 0.000 1.181 555 A CA 2.091 53.930 52.037 -0.330 0.000 0.623 555 A CB -0.638 17.929 19.000 -0.721 0.000 0.818 555 A HN 0.675 nan 8.150 nan 0.000 0.443 556 Q N -0.802 118.934 119.800 -0.107 0.000 2.089 556 Q HA 0.062 4.408 4.340 0.010 0.000 0.195 556 Q C 1.717 177.680 176.000 -0.062 0.000 0.963 556 Q CA 1.631 57.401 55.803 -0.055 0.000 0.834 556 Q CB -0.689 28.030 28.738 -0.033 0.000 0.906 556 Q HN 0.389 nan 8.270 nan 0.000 0.452 557 I N 1.228 121.750 120.570 -0.079 0.000 2.394 557 I HA -0.157 4.019 4.170 0.010 0.000 0.251 557 I C 1.246 177.331 176.117 -0.052 0.000 1.136 557 I CA 1.134 62.344 61.300 -0.150 0.000 1.425 557 I CB -0.187 37.634 38.000 -0.298 0.000 1.079 557 I HN 0.283 nan 8.210 nan 0.000 0.425 558 N N -0.043 118.678 118.700 0.035 0.000 2.415 558 N HA -0.005 4.741 4.740 0.010 0.000 0.176 558 N C 1.846 177.397 175.510 0.068 0.000 1.042 558 N CA 0.490 53.619 53.050 0.131 0.000 0.902 558 N CB -0.046 38.474 38.487 0.055 0.000 0.986 558 N HN 0.391 nan 8.380 nan 0.000 0.447 559 R N 1.270 121.770 120.500 0.000 0.000 2.090 559 R HA 0.003 4.349 4.340 0.010 0.000 0.228 559 R C 2.167 178.520 176.300 0.088 0.000 1.110 559 R CA 0.805 56.915 56.100 0.016 0.000 0.973 559 R CB -0.017 30.264 30.300 -0.030 0.000 0.869 559 R HN 0.166 nan 8.270 nan 0.000 0.440 560 K N 0.944 121.383 120.400 0.064 0.000 2.063 560 K HA -0.183 4.143 4.320 0.010 0.000 0.208 560 K C 2.005 178.680 176.600 0.126 0.000 1.048 560 K CA 1.223 57.561 56.287 0.085 0.000 0.928 560 K CB -0.100 32.408 32.500 0.013 0.000 0.713 560 K HN 0.034 nan 8.250 nan 0.000 0.442 561 L N 1.376 122.692 121.223 0.155 0.000 2.046 561 L HA -0.134 4.212 4.340 0.010 0.000 0.208 561 L C 2.169 179.180 176.870 0.234 0.000 1.077 561 L CA 1.253 56.233 54.840 0.234 0.000 0.747 561 L CB -0.575 41.711 42.059 0.377 0.000 0.896 561 L HN 0.268 nan 8.230 nan 0.000 0.432 562 L N -0.088 121.277 121.223 0.237 0.000 2.017 562 L HA -0.183 4.163 4.340 0.010 0.000 0.208 562 L C 2.396 179.589 176.870 0.539 0.000 1.073 562 L CA 2.255 57.289 54.840 0.323 0.000 0.745 562 L CB -0.645 41.514 42.059 0.167 0.000 0.894 562 L HN 0.481 nan 8.230 nan 0.000 0.432 563 I N -3.206 117.612 120.570 0.413 0.000 2.315 563 I HA -0.161 4.016 4.170 0.010 0.000 0.248 563 I C 1.940 178.153 176.117 0.161 0.000 1.117 563 I CA 1.449 62.959 61.300 0.349 0.000 1.404 563 I CB -0.824 37.348 38.000 0.287 0.000 1.071 563 I HN 0.203 nan 8.210 nan 0.000 0.419 564 N N 2.049 120.844 118.700 0.160 0.000 2.244 564 N HA -0.082 4.664 4.740 0.010 0.000 0.183 564 N C 2.003 177.584 175.510 0.119 0.000 1.016 564 N CA 1.621 54.743 53.050 0.121 0.000 0.866 564 N CB -0.695 37.846 38.487 0.090 0.000 0.980 564 N HN 0.604 nan 8.380 nan 0.000 0.430 565 G N 0.747 109.644 108.800 0.162 0.000 2.443 565 G HA2 -0.166 3.800 3.960 0.010 0.000 0.219 565 G HA3 -0.166 3.800 3.960 0.010 0.000 0.219 565 G C 1.527 176.434 174.900 0.012 0.000 1.131 565 G CA 0.263 45.450 45.100 0.145 0.000 0.775 565 G HN 0.229 nan 8.290 nan 0.000 0.547 566 L N 1.340 122.475 121.223 -0.146 0.000 2.056 566 L HA 0.246 4.592 4.340 0.010 0.000 0.207 566 L C 2.990 179.661 176.870 -0.331 0.000 1.078 566 L CA 1.977 56.459 54.840 -0.596 0.000 0.749 566 L CB -0.828 40.480 42.059 -1.252 0.000 0.901 566 L HN 0.201 nan 8.230 nan 0.000 0.433 567 A N -0.542 122.182 122.820 -0.160 0.000 1.940 567 A HA -0.090 4.236 4.320 0.010 0.000 0.219 567 A C 2.309 179.900 177.584 0.011 0.000 1.176 567 A CA 1.614 53.616 52.037 -0.059 0.000 0.631 567 A CB -1.507 17.545 19.000 0.086 0.000 0.814 567 A HN 0.529 nan 8.150 nan 0.000 0.446 568 G N -0.832 108.002 108.800 0.057 0.000 2.403 568 G HA2 0.100 4.066 3.960 0.010 0.000 0.216 568 G HA3 0.100 4.066 3.960 0.010 0.000 0.216 568 G C 1.691 176.619 174.900 0.046 0.000 1.154 568 G CA 1.165 46.331 45.100 0.110 0.000 0.784 568 G HN 0.773 nan 8.290 nan 0.000 0.538 569 A N 0.823 123.567 122.820 -0.127 0.000 1.972 569 A HA 0.069 4.395 4.320 0.010 0.000 0.219 569 A C 2.333 179.878 177.584 -0.064 0.000 1.169 569 A CA 1.093 52.941 52.037 -0.315 0.000 0.635 569 A CB -0.395 17.993 19.000 -1.021 0.000 0.810 569 A HN 0.356 nan 8.150 nan 0.000 0.446 570 L N -0.903 120.318 121.223 -0.002 0.000 2.261 570 L HA -0.138 4.209 4.340 0.010 0.000 0.216 570 L C 2.186 179.047 176.870 -0.016 0.000 1.114 570 L CA 0.908 55.816 54.840 0.112 0.000 0.777 570 L CB -0.285 41.753 42.059 -0.036 0.000 0.910 570 L HN 0.501 nan 8.230 nan 0.000 0.440 571 G N -1.483 107.349 108.800 0.052 0.000 3.393 571 G HA2 -0.022 3.944 3.960 0.010 0.000 0.255 571 G HA3 -0.022 3.944 3.960 0.010 0.000 0.255 571 G C 0.130 175.285 174.900 0.425 0.000 1.097 571 G CA -0.276 44.881 45.100 0.095 0.000 0.780 571 G HN 0.147 nan 8.290 nan 0.000 0.540 572 N N 1.175 120.122 118.700 0.411 0.000 2.417 572 N HA 0.111 4.857 4.740 0.010 0.000 0.274 572 N C 1.679 177.226 175.510 0.062 0.000 0.987 572 N CA -0.327 52.880 53.050 0.262 0.000 0.912 572 N CB 2.342 40.969 38.487 0.233 0.000 1.177 572 N HN -0.034 nan 8.380 nan 0.000 0.490 573 V N 2.205 121.864 119.914 -0.425 0.000 2.688 573 V HA -0.125 4.002 4.120 0.010 0.000 0.256 573 V C 1.273 177.070 176.094 -0.496 0.000 1.084 573 V CA 1.126 62.870 62.300 -0.927 0.000 1.103 573 V CB -0.925 30.367 31.823 -0.885 0.000 0.688 573 V HN 0.667 nan 8.190 nan 0.000 0.480 574 W N -1.303 119.997 121.300 -0.001 0.000 2.905 574 W HA 0.368 5.035 4.660 0.011 0.000 0.251 574 W C 1.012 177.637 176.519 0.178 0.000 1.305 574 W CA -0.706 56.681 57.345 0.069 0.000 1.465 574 W CB -0.102 29.390 29.460 0.053 0.000 1.122 574 W HN 0.184 nan 8.180 nan 0.000 0.659 575 F N 2.154 122.234 119.950 0.217 0.000 2.443 575 F HA 0.164 4.696 4.527 0.010 0.000 0.353 575 F C 1.854 177.725 175.800 0.118 0.000 1.101 575 F CA -1.088 57.031 58.000 0.198 0.000 1.226 575 F CB 0.734 39.873 39.000 0.232 0.000 1.140 575 F HN -0.202 nan 8.300 nan 0.000 0.557 576 R N 3.499 123.726 120.500 -0.456 0.000 2.127 576 R HA -0.189 4.157 4.340 0.010 0.000 0.238 576 R C 0.395 176.175 176.300 -0.867 0.000 1.134 576 R CA 1.787 57.478 56.100 -0.682 0.000 0.975 576 R CB -0.227 29.518 30.300 -0.924 0.000 0.865 576 R HN 0.741 nan 8.270 nan 0.000 0.447 577 Y N -1.314 118.534 120.300 -0.754 0.000 2.658 577 Y HA 0.107 4.663 4.550 0.011 0.000 0.276 577 Y C -0.450 175.423 175.900 -0.045 0.000 1.167 577 Y CA -0.985 56.886 58.100 -0.382 0.000 1.230 577 Y CB -0.223 37.985 38.460 -0.420 0.000 1.144 577 Y HN 0.018 nan 8.280 nan 0.000 0.529 578 Y N 2.776 123.082 120.300 0.009 0.000 2.881 578 Y HA 0.051 4.608 4.550 0.011 0.000 0.335 578 Y C -0.146 175.668 175.900 -0.143 0.000 1.263 578 Y CA 0.539 58.631 58.100 -0.013 0.000 1.572 578 Y CB 0.305 38.647 38.460 -0.196 0.000 1.237 578 Y HN 0.191 nan 8.280 nan 0.000 0.568 579 D N 6.563 126.544 120.400 -0.699 0.000 2.419 579 D HA 0.079 4.725 4.640 0.010 0.000 0.219 579 D C -0.011 175.892 176.300 -0.662 0.000 1.349 579 D CA -0.413 53.210 54.000 -0.627 0.000 0.964 579 D CB 0.766 41.418 40.800 -0.247 0.000 1.463 579 D HN 0.736 nan 8.370 nan 0.000 0.573 580 L N 2.681 123.448 121.223 -0.759 0.000 2.265 580 L HA -0.054 4.293 4.340 0.010 0.000 0.215 580 L C 2.345 178.989 176.870 -0.378 0.000 1.117 580 L CA 0.750 55.234 54.840 -0.593 0.000 0.782 580 L CB -0.021 41.781 42.059 -0.427 0.000 0.914 580 L HN 0.254 nan 8.230 nan 0.000 0.441 581 R N -0.175 120.154 120.500 -0.286 0.000 2.081 581 R HA -0.125 4.222 4.340 0.010 0.000 0.235 581 R C 2.025 178.238 176.300 -0.145 0.000 1.131 581 R CA 1.396 57.383 56.100 -0.190 0.000 0.960 581 R CB -0.302 29.898 30.300 -0.167 0.000 0.856 581 R HN 0.379 nan 8.270 nan 0.000 0.436 582 N N 0.627 119.234 118.700 -0.155 0.000 2.171 582 N HA -0.057 4.689 4.740 0.010 0.000 0.184 582 N C 1.638 177.028 175.510 -0.199 0.000 1.021 582 N CA 1.365 54.347 53.050 -0.115 0.000 0.854 582 N CB -0.316 38.114 38.487 -0.096 0.000 0.994 582 N HN 0.193 nan 8.380 nan 0.000 0.426 583 A N 0.462 123.102 122.820 -0.299 0.000 1.902 583 A HA -0.144 4.182 4.320 0.010 0.000 0.217 583 A C 2.310 179.745 177.584 -0.248 0.000 1.181 583 A CA 2.352 54.178 52.037 -0.352 0.000 0.623 583 A CB -1.126 17.454 19.000 -0.701 0.000 0.818 583 A HN 0.504 nan 8.150 nan 0.000 0.443 584 T N -2.735 111.681 114.554 -0.230 0.000 2.985 584 T HA 0.268 4.624 4.350 0.010 0.000 0.266 584 T C 1.888 176.556 174.700 -0.054 0.000 1.076 584 T CA 1.224 63.287 62.100 -0.062 0.000 1.135 584 T CB -0.358 68.489 68.868 -0.034 0.000 0.890 584 T HN 0.516 nan 8.240 nan 0.000 0.480 585 A N 1.792 124.564 122.820 -0.080 0.000 1.908 585 A HA 0.079 4.405 4.320 0.010 0.000 0.218 585 A C 2.301 179.836 177.584 -0.082 0.000 1.181 585 A CA 1.405 53.421 52.037 -0.036 0.000 0.627 585 A CB -0.834 18.181 19.000 0.025 0.000 0.818 585 A HN 0.590 nan 8.150 nan 0.000 0.445 586 I N 0.026 120.477 120.570 -0.198 0.000 2.163 586 I HA -0.237 3.939 4.170 0.010 0.000 0.240 586 I C 2.951 178.869 176.117 -0.333 0.000 1.081 586 I CA 1.913 63.009 61.300 -0.341 0.000 1.353 586 I CB -0.704 37.003 38.000 -0.488 0.000 1.054 586 I HN 0.544 nan 8.210 nan 0.000 0.407 587 T N -2.242 112.153 114.554 -0.265 0.000 2.777 587 T HA -0.141 4.216 4.350 0.010 0.000 0.266 587 T C 1.815 176.542 174.700 0.046 0.000 1.040 587 T CA 1.876 63.906 62.100 -0.117 0.000 1.141 587 T CB -0.929 67.982 68.868 0.072 0.000 0.868 587 T HN 0.241 nan 8.240 nan 0.000 0.444 588 T N 1.191 115.777 114.554 0.054 0.000 2.821 588 T HA 0.071 4.427 4.350 0.010 0.000 0.267 588 T C 1.361 176.114 174.700 0.087 0.000 1.046 588 T CA 1.036 63.183 62.100 0.078 0.000 1.139 588 T CB -0.629 68.272 68.868 0.055 0.000 0.871 588 T HN 0.393 nan 8.240 nan 0.000 0.454 589 F N 2.212 122.126 119.950 -0.060 0.000 2.134 589 F HA 0.020 4.553 4.527 0.010 0.000 0.299 589 F C 2.388 178.179 175.800 -0.016 0.000 1.097 589 F CA 1.239 59.199 58.000 -0.068 0.000 1.264 589 F CB -0.757 38.170 39.000 -0.122 0.000 1.001 589 F HN 0.178 nan 8.300 nan 0.000 0.479 590 G N -0.594 108.353 108.800 0.246 0.000 2.418 590 G HA2 -0.255 3.712 3.960 0.010 0.000 0.217 590 G HA3 -0.255 3.712 3.960 0.010 0.000 0.217 590 G C 1.514 176.527 174.900 0.189 0.000 1.158 590 G CA 0.741 45.993 45.100 0.254 0.000 0.771 590 G HN 0.424 nan 8.290 nan 0.000 0.545 591 Q N -0.716 119.182 119.800 0.163 0.000 2.096 591 Q HA -0.093 4.253 4.340 0.010 0.000 0.204 591 Q C 2.462 178.487 176.000 0.042 0.000 0.982 591 Q CA 1.419 57.308 55.803 0.145 0.000 0.850 591 Q CB -0.239 28.582 28.738 0.137 0.000 0.901 591 Q HN 0.600 nan 8.270 nan 0.000 0.422 592 M N 0.124 119.718 119.600 -0.009 0.000 2.099 592 M HA -0.143 4.343 4.480 0.010 0.000 0.262 592 M C 2.164 178.477 176.300 0.022 0.000 1.067 592 M CA 1.656 56.937 55.300 -0.033 0.000 1.124 592 M CB -0.168 32.340 32.600 -0.154 0.000 1.353 592 M HN 0.187 nan 8.290 nan 0.000 0.410 593 A N 0.767 123.556 122.820 -0.051 0.000 1.892 593 A HA -0.233 4.093 4.320 0.010 0.000 0.218 593 A C 2.032 179.817 177.584 0.335 0.000 1.188 593 A CA 1.980 54.114 52.037 0.162 0.000 0.631 593 A CB -1.185 17.882 19.000 0.112 0.000 0.822 593 A HN 0.612 nan 8.150 nan 0.000 0.447 594 L N -0.302 121.064 121.223 0.238 0.000 2.017 594 L HA -0.189 4.157 4.340 0.010 0.000 0.208 594 L C 2.516 179.481 176.870 0.158 0.000 1.073 594 L CA 2.476 57.457 54.840 0.236 0.000 0.745 594 L CB -0.739 41.473 42.059 0.255 0.000 0.894 594 L HN 0.532 nan 8.230 nan 0.000 0.432 595 Q N -1.652 118.188 119.800 0.066 0.000 2.172 595 Q HA -0.212 4.134 4.340 0.010 0.000 0.200 595 Q C 1.971 177.981 176.000 0.016 0.000 0.964 595 Q CA 1.370 57.150 55.803 -0.038 0.000 0.855 595 Q CB -0.485 28.108 28.738 -0.242 0.000 0.918 595 Q HN 0.708 nan 8.270 nan 0.000 0.444 596 W N 1.239 122.483 121.300 -0.093 0.000 2.333 596 W HA -0.217 4.450 4.660 0.010 0.000 0.316 596 W C 1.697 178.101 176.519 -0.191 0.000 1.215 596 W CA 1.144 58.418 57.345 -0.119 0.000 1.278 596 W CB -0.264 29.146 29.460 -0.084 0.000 1.154 596 W HN 0.153 nan 8.180 nan 0.000 0.486 597 I N 1.461 122.077 120.570 0.076 0.000 2.546 597 I HA -0.200 3.976 4.170 0.010 0.000 0.255 597 I C 2.533 178.564 176.117 -0.143 0.000 1.163 597 I CA 1.810 63.005 61.300 -0.175 0.000 1.457 597 I CB -0.770 37.029 38.000 -0.335 0.000 1.092 597 I HN 0.099 nan 8.210 nan 0.000 0.434 598 E N 0.635 120.802 120.200 -0.055 0.000 2.038 598 E HA -0.331 4.025 4.350 0.010 0.000 0.195 598 E C 2.476 179.022 176.600 -0.091 0.000 1.000 598 E CA 1.507 57.884 56.400 -0.037 0.000 0.803 598 E CB -0.254 29.454 29.700 0.013 0.000 0.750 598 E HN 0.426 nan 8.360 nan 0.000 0.448 599 R N 0.304 120.708 120.500 -0.159 0.000 2.083 599 R HA -0.154 4.192 4.340 0.010 0.000 0.237 599 R C 2.288 178.440 176.300 -0.246 0.000 1.137 599 R CA 1.724 57.696 56.100 -0.214 0.000 0.951 599 R CB -0.008 30.100 30.300 -0.321 0.000 0.851 599 R HN 0.016 nan 8.270 nan 0.000 0.434 600 K N 0.132 120.330 120.400 -0.336 0.000 2.097 600 K HA -0.083 4.243 4.320 0.010 0.000 0.206 600 K C 2.075 178.567 176.600 -0.180 0.000 1.049 600 K CA 1.136 57.243 56.287 -0.299 0.000 0.933 600 K CB -0.305 31.979 32.500 -0.361 0.000 0.717 600 K HN 0.142 nan 8.250 nan 0.000 0.442 601 V N 2.316 122.131 119.914 -0.166 0.000 2.379 601 V HA -0.202 3.924 4.120 0.010 0.000 0.245 601 V C 1.999 178.058 176.094 -0.058 0.000 1.044 601 V CA 1.448 63.679 62.300 -0.115 0.000 1.036 601 V CB -0.475 31.262 31.823 -0.143 0.000 0.664 601 V HN 0.284 nan 8.190 nan 0.000 0.453 602 N N 0.314 118.998 118.700 -0.027 0.000 2.069 602 N HA -0.181 4.565 4.740 0.010 0.000 0.191 602 N C 1.853 177.354 175.510 -0.015 0.000 1.031 602 N CA 1.607 54.686 53.050 0.048 0.000 0.852 602 N CB -0.258 38.276 38.487 0.078 0.000 1.018 602 N HN 0.588 nan 8.380 nan 0.000 0.423 603 E N -0.388 119.779 120.200 -0.054 0.000 2.058 603 E HA -0.213 4.143 4.350 0.010 0.000 0.194 603 E C 1.792 178.352 176.600 -0.068 0.000 0.997 603 E CA 0.940 57.301 56.400 -0.065 0.000 0.801 603 E CB -0.243 29.397 29.700 -0.100 0.000 0.746 603 E HN 0.471 nan 8.360 nan 0.000 0.450 604 Y N 1.176 121.366 120.300 -0.184 0.000 2.145 604 Y HA -0.203 4.354 4.550 0.010 0.000 0.286 604 Y C 1.977 177.739 175.900 -0.229 0.000 1.145 604 Y CA 1.351 59.338 58.100 -0.189 0.000 1.148 604 Y CB 0.005 38.344 38.460 -0.202 0.000 0.981 604 Y HN -0.051 nan 8.280 nan 0.000 0.507 605 L N 0.094 121.051 121.223 -0.443 0.000 2.109 605 L HA -0.200 4.146 4.340 0.010 0.000 0.207 605 L C 2.232 178.659 176.870 -0.739 0.000 1.086 605 L CA 0.891 55.233 54.840 -0.829 0.000 0.760 605 L CB -0.623 40.600 42.059 -1.392 0.000 0.910 605 L HN 0.309 nan 8.230 nan 0.000 0.437 606 N N 0.136 118.608 118.700 -0.381 0.000 2.149 606 N HA -0.256 4.490 4.740 0.010 0.000 0.188 606 N C 1.760 177.218 175.510 -0.086 0.000 1.019 606 N CA 1.503 54.547 53.050 -0.011 0.000 0.857 606 N CB -0.001 38.539 38.487 0.089 0.000 0.997 606 N HN 0.456 nan 8.380 nan 0.000 0.426 607 E N 0.776 120.869 120.200 -0.179 0.000 2.051 607 E HA -0.129 4.227 4.350 0.010 0.000 0.192 607 E C 1.984 178.462 176.600 -0.203 0.000 0.991 607 E CA 0.938 57.234 56.400 -0.173 0.000 0.799 607 E CB -0.043 29.545 29.700 -0.186 0.000 0.748 607 E HN 0.076 nan 8.360 nan 0.000 0.449 608 V N 0.308 120.017 119.914 -0.342 0.000 2.515 608 V HA -0.189 3.937 4.120 0.010 0.000 0.250 608 V C 1.916 177.940 176.094 -0.116 0.000 1.058 608 V CA 1.875 64.021 62.300 -0.256 0.000 1.064 608 V CB -0.215 31.403 31.823 -0.342 0.000 0.675 608 V HN 0.549 nan 8.190 nan 0.000 0.461 609 C N 1.190 120.435 119.300 -0.092 0.000 2.618 609 C HA 0.477 4.943 4.460 0.010 0.000 0.264 609 C C 1.883 176.892 174.990 0.032 0.000 1.334 609 C CA 0.134 59.166 59.018 0.025 0.000 1.731 609 C CB -1.250 26.599 27.740 0.181 0.000 1.852 609 C HN 0.953 nan 8.230 nan 0.000 0.566 610 G N 2.348 111.147 108.800 -0.002 0.000 2.273 610 G HA2 -0.219 3.748 3.960 0.010 0.000 0.280 610 G HA3 -0.219 3.748 3.960 0.010 0.000 0.280 610 G C 0.139 175.054 174.900 0.025 0.000 1.047 610 G CA 0.767 45.868 45.100 0.002 0.000 0.869 610 G HN 0.649 nan 8.290 nan 0.000 0.502 611 T N -3.453 111.134 114.554 0.056 0.000 2.844 611 T HA 0.775 5.131 4.350 0.010 0.000 0.274 611 T C -0.431 174.302 174.700 0.054 0.000 0.991 611 T CA -0.183 61.956 62.100 0.064 0.000 0.983 611 T CB 2.638 71.567 68.868 0.101 0.000 1.310 611 T HN 0.465 nan 8.240 nan 0.000 0.596 612 E N -1.082 119.145 120.200 0.046 0.000 2.265 612 E HA 0.517 4.873 4.350 0.010 0.000 0.262 612 E C 0.493 177.112 176.600 0.031 0.000 0.889 612 E CA 0.223 56.642 56.400 0.031 0.000 0.789 612 E CB 0.682 30.389 29.700 0.012 0.000 1.221 612 E HN 1.243 nan 8.360 nan 0.000 0.414 613 G N 3.552 112.376 108.800 0.040 0.000 2.168 613 G HA2 -0.331 3.635 3.960 0.010 0.000 0.257 613 G HA3 -0.331 3.635 3.960 0.010 0.000 0.257 613 G C 0.160 175.077 174.900 0.029 0.000 0.997 613 G CA 0.620 45.739 45.100 0.031 0.000 0.708 613 G HN 0.531 nan 8.290 nan 0.000 0.520 614 E N 0.337 120.564 120.200 0.044 0.000 2.354 614 E HA 0.555 4.912 4.350 0.010 0.000 0.269 614 E C 0.635 177.220 176.600 -0.025 0.000 1.036 614 E CA -0.011 56.358 56.400 -0.052 0.000 0.876 614 E CB 0.685 30.271 29.700 -0.189 0.000 1.009 614 E HN 0.607 nan 8.360 nan 0.000 0.416 615 A N 5.080 127.848 122.820 -0.088 0.000 2.415 615 A HA 0.220 4.546 4.320 0.010 0.000 0.309 615 A C -0.103 177.431 177.584 -0.083 0.000 1.356 615 A CA -0.294 51.733 52.037 -0.016 0.000 0.998 615 A CB -0.369 18.630 19.000 -0.003 0.000 1.145 615 A HN 0.712 nan 8.150 nan 0.000 0.545 616 F N 2.180 122.148 119.950 0.031 0.000 2.270 616 F HA 0.021 4.554 4.527 0.010 0.000 0.295 616 F C 1.149 176.974 175.800 0.042 0.000 1.087 616 F CA 0.646 58.676 58.000 0.050 0.000 1.365 616 F CB 0.199 39.234 39.000 0.059 0.000 1.056 616 F HN 0.277 nan 8.300 nan 0.000 0.506 617 V N 3.552 123.590 119.914 0.207 0.000 2.415 617 V HA -0.028 4.098 4.120 0.010 0.000 0.267 617 V C 0.883 176.986 176.094 0.016 0.000 1.042 617 V CA -0.043 62.321 62.300 0.108 0.000 1.000 617 V CB 0.544 32.421 31.823 0.090 0.000 1.015 617 V HN 0.248 nan 8.190 nan 0.000 0.478 618 L N 3.888 125.054 121.223 -0.095 0.000 2.416 618 L HA 0.499 4.845 4.340 0.010 0.000 0.216 618 L C 0.301 176.986 176.870 -0.309 0.000 1.098 618 L CA 0.715 55.383 54.840 -0.286 0.000 0.840 618 L CB -0.239 41.414 42.059 -0.675 0.000 0.981 618 L HN 0.504 nan 8.230 nan 0.000 0.462 619 Y N -0.635 119.438 120.300 -0.379 0.000 2.641 619 Y HA 0.665 5.221 4.550 0.010 0.000 0.333 619 Y C -0.742 175.166 175.900 0.013 0.000 1.174 619 Y CA -0.627 57.274 58.100 -0.332 0.000 1.057 619 Y CB 1.658 39.625 38.460 -0.822 0.000 1.322 619 Y HN 0.009 nan 8.280 nan 0.000 0.457 620 G N 2.625 110.942 108.800 -0.805 0.000 2.732 620 G HA2 0.446 4.413 3.960 0.010 0.000 0.296 620 G HA3 0.446 4.413 3.960 0.010 0.000 0.296 620 G C -2.710 171.779 174.900 -0.685 0.000 1.448 620 G CA -0.616 44.222 45.100 -0.435 0.000 0.911 620 G HN 0.482 nan 8.290 nan 0.000 0.528 621 D N 0.381 120.630 120.400 -0.253 0.000 2.616 621 D HA 0.512 5.158 4.640 0.010 0.000 0.238 621 D C 1.078 177.410 176.300 0.052 0.000 1.354 621 D CA 0.659 54.590 54.000 -0.115 0.000 0.970 621 D CB 1.309 42.125 40.800 0.028 0.000 1.369 621 D HN 0.528 nan 8.370 nan 0.000 0.585 622 T N 2.603 117.205 114.554 0.080 0.000 12.940 622 T HA -0.279 4.077 4.350 0.010 0.000 0.419 622 T C 0.607 175.402 174.700 0.159 0.000 1.444 622 T CA 1.971 64.148 62.100 0.129 0.000 2.373 622 T CB -1.106 67.800 68.868 0.063 0.000 2.821 622 T HN 0.668 nan 8.240 nan 0.000 0.696 623 D N 0.817 121.296 120.400 0.132 0.000 2.567 623 D HA 0.281 4.927 4.640 0.010 0.000 0.268 623 D C -0.019 176.370 176.300 0.148 0.000 1.448 623 D CA 0.599 54.685 54.000 0.143 0.000 0.811 623 D CB -0.165 40.693 40.800 0.096 0.000 1.192 623 D HN 0.728 nan 8.370 nan 0.000 0.488 624 S N 0.468 116.256 115.700 0.146 0.000 2.536 624 S HA 0.793 5.269 4.470 0.010 0.000 0.298 624 S C -0.069 174.607 174.600 0.127 0.000 1.083 624 S CA -0.897 57.380 58.200 0.129 0.000 0.995 624 S CB 1.943 65.228 63.200 0.142 0.000 1.058 624 S HN 0.349 nan 8.310 nan 0.000 0.488 625 I N -0.856 119.765 120.570 0.084 0.000 2.646 625 I HA 0.684 4.860 4.170 0.010 0.000 0.299 625 I C -1.887 174.236 176.117 0.011 0.000 1.036 625 I CA -1.304 60.067 61.300 0.119 0.000 1.074 625 I CB 1.508 39.585 38.000 0.127 0.000 1.258 625 I HN 0.612 nan 8.210 nan 0.000 0.430 626 Y N 4.065 124.436 120.300 0.119 0.000 2.328 626 Y HA 0.614 5.171 4.550 0.010 0.000 0.336 626 Y C -0.281 175.661 175.900 0.070 0.000 0.960 626 Y CA -0.897 57.271 58.100 0.113 0.000 1.134 626 Y CB 2.092 40.572 38.460 0.032 0.000 1.166 626 Y HN 0.313 nan 8.280 nan 0.000 0.464 627 V N 2.737 122.820 119.914 0.282 0.000 2.384 627 V HA 0.280 4.406 4.120 0.010 0.000 0.287 627 V C 0.135 176.399 176.094 0.283 0.000 1.020 627 V CA -0.954 61.519 62.300 0.287 0.000 0.850 627 V CB 1.679 33.730 31.823 0.380 0.000 0.987 627 V HN 0.800 nan 8.190 nan 0.000 0.436 628 S N 3.859 119.706 115.700 0.245 0.000 2.498 628 S HA 0.384 4.860 4.470 0.010 0.000 0.281 628 S C 0.901 175.688 174.600 0.312 0.000 1.265 628 S CA 0.187 58.542 58.200 0.260 0.000 1.071 628 S CB 0.737 64.058 63.200 0.203 0.000 0.894 628 S HN 1.050 nan 8.310 nan 0.000 0.491 629 A N 4.341 127.335 122.820 0.291 0.000 2.503 629 A HA 0.277 4.603 4.320 0.010 0.000 0.263 629 A C 1.214 178.877 177.584 0.133 0.000 1.258 629 A CA -0.224 51.947 52.037 0.222 0.000 0.936 629 A CB -0.065 19.059 19.000 0.207 0.000 1.070 629 A HN 0.780 nan 8.150 nan 0.000 0.522 630 D N 1.103 121.619 120.400 0.194 0.000 2.123 630 D HA -0.167 4.479 4.640 0.010 0.000 0.196 630 D C 1.699 178.028 176.300 0.047 0.000 0.992 630 D CA 1.440 55.533 54.000 0.155 0.000 0.833 630 D CB -0.044 40.859 40.800 0.170 0.000 0.954 630 D HN 0.467 nan 8.370 nan 0.000 0.455 631 K N 0.022 120.471 120.400 0.082 0.000 2.148 631 K HA -0.054 4.272 4.320 0.010 0.000 0.204 631 K C 2.010 178.627 176.600 0.028 0.000 1.050 631 K CA 0.457 56.787 56.287 0.071 0.000 0.942 631 K CB 0.114 32.706 32.500 0.154 0.000 0.724 631 K HN 0.125 nan 8.250 nan 0.000 0.446 632 I N 1.427 121.998 120.570 0.001 0.000 2.179 632 I HA -0.251 3.925 4.170 0.010 0.000 0.242 632 I C 2.271 178.384 176.117 -0.006 0.000 1.088 632 I CA 1.268 62.515 61.300 -0.088 0.000 1.357 632 I CB -0.922 36.905 38.000 -0.288 0.000 1.051 632 I HN 0.104 nan 8.210 nan 0.000 0.409 633 I N 1.091 121.604 120.570 -0.095 0.000 2.226 633 I HA -0.257 3.919 4.170 0.010 0.000 0.245 633 I C 2.059 178.100 176.117 -0.128 0.000 1.100 633 I CA 1.535 62.720 61.300 -0.192 0.000 1.374 633 I CB -1.240 36.323 38.000 -0.729 0.000 1.057 633 I HN 0.215 nan 8.210 nan 0.000 0.413 634 D N 0.745 121.086 120.400 -0.099 0.000 2.264 634 D HA -0.128 4.518 4.640 0.010 0.000 0.208 634 D C 2.130 178.388 176.300 -0.069 0.000 0.966 634 D CA 0.764 54.725 54.000 -0.064 0.000 0.864 634 D CB -0.097 40.686 40.800 -0.027 0.000 0.933 634 D HN 0.314 nan 8.370 nan 0.000 0.499 635 K N 0.183 120.546 120.400 -0.062 0.000 2.211 635 K HA -0.061 4.265 4.320 0.010 0.000 0.203 635 K C 1.967 178.501 176.600 -0.109 0.000 1.050 635 K CA 0.564 56.816 56.287 -0.057 0.000 0.945 635 K CB 0.330 32.818 32.500 -0.021 0.000 0.732 635 K HN 0.129 nan 8.250 nan 0.000 0.451 636 V N -2.165 117.631 119.914 -0.196 0.000 3.125 636 V HA 0.301 4.427 4.120 0.010 0.000 0.249 636 V C 0.419 176.314 176.094 -0.331 0.000 1.113 636 V CA 0.680 62.782 62.300 -0.330 0.000 1.106 636 V CB 0.050 31.503 31.823 -0.616 0.000 0.768 636 V HN 0.283 nan 8.190 nan 0.000 0.468 637 G N 0.726 109.379 108.800 -0.244 0.000 3.190 637 G HA2 -0.154 3.812 3.960 0.010 0.000 0.686 637 G HA3 -0.154 3.812 3.960 0.010 0.000 0.686 637 G C -0.120 174.675 174.900 -0.176 0.000 1.033 637 G CA 0.139 45.134 45.100 -0.175 0.000 0.797 637 G HN 0.462 nan 8.290 nan 0.000 0.567 638 E N 0.742 120.929 120.200 -0.021 0.000 2.171 638 E HA -0.218 4.138 4.350 0.010 0.000 0.197 638 E C 2.750 179.407 176.600 0.094 0.000 0.997 638 E CA 1.762 58.238 56.400 0.127 0.000 0.810 638 E CB -0.062 29.701 29.700 0.105 0.000 0.738 638 E HN 0.838 nan 8.360 nan 0.000 0.467 639 S N 0.645 116.338 115.700 -0.011 0.000 2.447 639 S HA -0.092 4.384 4.470 0.010 0.000 0.233 639 S C 1.666 176.223 174.600 -0.072 0.000 1.006 639 S CA 0.795 58.986 58.200 -0.015 0.000 0.957 639 S CB 0.007 63.190 63.200 -0.028 0.000 0.773 639 S HN 0.005 nan 8.310 nan 0.000 0.507 640 K N 0.605 120.867 120.400 -0.230 0.000 2.432 640 K HA 0.336 4.662 4.320 0.010 0.000 0.196 640 K C -0.220 176.156 176.600 -0.375 0.000 1.038 640 K CA 0.079 56.153 56.287 -0.354 0.000 0.986 640 K CB -0.252 31.922 32.500 -0.544 0.000 0.782 640 K HN 0.477 nan 8.250 nan 0.000 0.485 641 F N 0.174 120.108 119.950 -0.027 0.000 2.396 641 F HA 0.237 4.771 4.527 0.010 0.000 0.343 641 F C 1.560 177.483 175.800 0.206 0.000 1.104 641 F CA -0.598 57.450 58.000 0.079 0.000 1.161 641 F CB 1.133 40.158 39.000 0.041 0.000 1.146 641 F HN -0.233 nan 8.300 nan 0.000 0.522 642 R N 0.444 121.283 120.500 0.565 0.000 2.073 642 R HA -0.041 4.305 4.340 0.010 0.000 0.229 642 R C -0.472 175.943 176.300 0.191 0.000 1.120 642 R CA 1.469 57.719 56.100 0.250 0.000 0.967 642 R CB -0.169 30.184 30.300 0.088 0.000 0.862 642 R HN 0.810 nan 8.270 nan 0.000 0.436 643 D N -4.193 116.334 120.400 0.211 0.000 2.768 643 D HA 0.080 4.726 4.640 0.010 0.000 0.327 643 D C 0.263 176.544 176.300 -0.031 0.000 1.302 643 D CA -0.643 53.407 54.000 0.083 0.000 0.897 643 D CB 0.239 41.043 40.800 0.008 0.000 1.420 643 D HN -0.304 nan 8.370 nan 0.000 0.494 644 T N -0.547 113.871 114.554 -0.228 0.000 2.684 644 T HA -0.140 4.217 4.350 0.010 0.000 0.267 644 T C 1.443 175.501 174.700 -1.070 0.000 1.036 644 T CA 1.517 63.175 62.100 -0.736 0.000 1.148 644 T CB -0.525 67.771 68.868 -0.954 0.000 0.863 644 T HN 0.406 nan 8.240 nan 0.000 0.436 645 N N 0.434 118.779 118.700 -0.592 0.000 2.137 645 N HA -0.148 4.598 4.740 0.010 0.000 0.190 645 N C 1.684 177.027 175.510 -0.279 0.000 1.017 645 N CA 1.249 54.050 53.050 -0.415 0.000 0.859 645 N CB -0.419 37.958 38.487 -0.184 0.000 1.002 645 N HN 0.638 nan 8.380 nan 0.000 0.428 646 H N -0.277 118.628 119.070 -0.275 0.000 2.293 646 H HA -0.142 4.421 4.556 0.010 0.000 0.300 646 H C 2.233 177.478 175.328 -0.139 0.000 1.082 646 H CA 1.597 57.607 56.048 -0.063 0.000 1.308 646 H CB -0.163 29.690 29.762 0.152 0.000 1.375 646 H HN 0.463 nan 8.280 nan 0.000 0.495 647 W N 0.650 121.583 121.300 -0.611 0.000 2.425 647 W HA -0.046 4.620 4.660 0.010 0.000 0.277 647 W C 1.359 177.692 176.519 -0.311 0.000 1.231 647 W CA 0.642 57.373 57.345 -1.024 0.000 1.248 647 W CB -0.951 27.547 29.460 -1.603 0.000 1.117 647 W HN 0.025 nan 8.180 nan 0.000 0.568 648 V N 2.305 121.828 119.914 -0.652 0.000 2.307 648 V HA -0.298 3.828 4.120 0.010 0.000 0.245 648 V C 2.357 178.403 176.094 -0.080 0.000 1.045 648 V CA 2.499 64.529 62.300 -0.449 0.000 1.024 648 V CB -0.991 30.432 31.823 -0.667 0.000 0.651 648 V HN -0.034 nan 8.190 nan 0.000 0.449 649 D N -0.349 120.027 120.400 -0.039 0.000 2.133 649 D HA -0.210 4.436 4.640 0.010 0.000 0.195 649 D C 1.888 178.291 176.300 0.171 0.000 0.997 649 D CA 1.533 55.582 54.000 0.082 0.000 0.840 649 D CB -0.324 40.559 40.800 0.138 0.000 0.947 649 D HN 0.466 nan 8.370 nan 0.000 0.452 650 F N 1.279 121.283 119.950 0.091 0.000 2.102 650 F HA -0.122 4.411 4.527 0.010 0.000 0.298 650 F C 2.172 178.079 175.800 0.178 0.000 1.105 650 F CA 1.172 59.264 58.000 0.153 0.000 1.239 650 F CB -0.391 38.727 39.000 0.197 0.000 0.991 650 F HN -0.114 nan 8.300 nan 0.000 0.474 651 L N 0.118 121.389 121.223 0.080 0.000 2.083 651 L HA -0.204 4.142 4.340 0.010 0.000 0.209 651 L C 2.161 179.076 176.870 0.074 0.000 1.083 651 L CA 1.772 56.639 54.840 0.045 0.000 0.752 651 L CB -0.881 41.327 42.059 0.248 0.000 0.899 651 L HN 0.229 nan 8.230 nan 0.000 0.433 652 D N 0.356 120.796 120.400 0.066 0.000 2.117 652 D HA -0.246 4.400 4.640 0.010 0.000 0.197 652 D C 2.206 178.529 176.300 0.037 0.000 0.987 652 D CA 1.427 55.454 54.000 0.046 0.000 0.829 652 D CB 0.125 40.943 40.800 0.030 0.000 0.961 652 D HN 0.052 nan 8.370 nan 0.000 0.460 653 K N -1.157 119.259 120.400 0.027 0.000 2.057 653 K HA -0.139 4.188 4.320 0.010 0.000 0.206 653 K C 2.132 178.734 176.600 0.005 0.000 1.050 653 K CA 0.959 57.258 56.287 0.019 0.000 0.935 653 K CB -0.426 32.100 32.500 0.044 0.000 0.715 653 K HN 0.194 nan 8.250 nan 0.000 0.439 654 F N 1.049 120.873 119.950 -0.211 0.000 2.126 654 F HA -0.211 4.322 4.527 0.010 0.000 0.299 654 F C 1.986 177.779 175.800 -0.012 0.000 1.096 654 F CA 1.577 59.471 58.000 -0.178 0.000 1.255 654 F CB -0.248 38.543 39.000 -0.349 0.000 0.997 654 F HN 0.099 nan 8.300 nan 0.000 0.479 655 A N 0.259 123.161 122.820 0.136 0.000 1.902 655 A HA -0.207 4.119 4.320 0.010 0.000 0.217 655 A C 2.327 179.963 177.584 0.087 0.000 1.181 655 A CA 1.820 53.974 52.037 0.196 0.000 0.623 655 A CB -0.768 18.351 19.000 0.198 0.000 0.818 655 A HN 0.471 nan 8.150 nan 0.000 0.443 656 R N -0.663 119.854 120.500 0.028 0.000 2.093 656 R HA -0.018 4.328 4.340 0.010 0.000 0.224 656 R C 1.804 178.078 176.300 -0.044 0.000 1.101 656 R CA 1.385 57.489 56.100 0.007 0.000 0.979 656 R CB -0.089 30.216 30.300 0.008 0.000 0.877 656 R HN 0.635 nan 8.270 nan 0.000 0.441 657 E N -0.970 119.184 120.200 -0.077 0.000 2.340 657 E HA 0.007 4.364 4.350 0.010 0.000 0.194 657 E C 1.632 178.139 176.600 -0.155 0.000 0.996 657 E CA 0.254 56.602 56.400 -0.087 0.000 0.869 657 E CB 0.534 30.206 29.700 -0.046 0.000 0.835 657 E HN 0.133 nan 8.360 nan 0.000 0.493 658 R N -0.468 119.857 120.500 -0.292 0.000 2.215 658 R HA 0.272 4.618 4.340 0.010 0.000 0.190 658 R C 2.056 178.074 176.300 -0.470 0.000 0.968 658 R CA 0.397 56.267 56.100 -0.383 0.000 1.122 658 R CB -0.327 29.598 30.300 -0.625 0.000 1.151 658 R HN 0.127 nan 8.270 nan 0.000 0.582 659 M N 0.876 120.188 119.600 -0.479 0.000 2.160 659 M HA -0.007 4.479 4.480 0.010 0.000 0.264 659 M C 1.833 177.915 176.300 -0.364 0.000 1.073 659 M CA 1.556 56.594 55.300 -0.436 0.000 1.142 659 M CB -0.135 32.319 32.600 -0.245 0.000 1.358 659 M HN 0.115 nan 8.290 nan 0.000 0.422 660 E N 0.066 120.175 120.200 -0.153 0.000 2.077 660 E HA -0.183 4.173 4.350 0.010 0.000 0.193 660 E C -0.831 175.706 176.600 -0.105 0.000 0.989 660 E CA 1.238 57.602 56.400 -0.060 0.000 0.800 660 E CB -0.959 28.776 29.700 0.058 0.000 0.746 660 E HN 0.364 nan 8.360 nan 0.000 0.452 661 P HA -0.171 nan 4.420 nan 0.000 0.215 661 P C 1.020 178.188 177.300 -0.220 0.000 1.153 661 P CA 1.774 64.787 63.100 -0.146 0.000 0.853 661 P CB 0.016 31.627 31.700 -0.149 0.000 0.788 662 A N -0.767 121.803 122.820 -0.417 0.000 1.902 662 A HA -0.176 4.150 4.320 0.010 0.000 0.217 662 A C 2.196 179.564 177.584 -0.360 0.000 1.181 662 A CA 1.476 53.182 52.037 -0.551 0.000 0.623 662 A CB -1.638 16.617 19.000 -1.242 0.000 0.818 662 A HN 0.112 nan 8.150 nan 0.000 0.443 663 I N -0.508 119.875 120.570 -0.312 0.000 2.252 663 I HA -0.232 3.944 4.170 0.010 0.000 0.245 663 I C 2.235 178.342 176.117 -0.017 0.000 1.102 663 I CA 1.825 63.002 61.300 -0.204 0.000 1.385 663 I CB -0.343 37.559 38.000 -0.163 0.000 1.064 663 I HN 0.349 nan 8.210 nan 0.000 0.414 664 D N 0.666 121.103 120.400 0.062 0.000 2.117 664 D HA -0.170 4.476 4.640 0.010 0.000 0.197 664 D C 2.371 178.710 176.300 0.066 0.000 0.987 664 D CA 1.305 55.415 54.000 0.183 0.000 0.829 664 D CB 0.104 41.007 40.800 0.171 0.000 0.961 664 D HN 0.109 nan 8.370 nan 0.000 0.460 665 R N -0.477 120.008 120.500 -0.025 0.000 2.081 665 R HA -0.016 4.330 4.340 0.010 0.000 0.235 665 R C 2.457 178.746 176.300 -0.017 0.000 1.131 665 R CA 1.169 57.242 56.100 -0.044 0.000 0.960 665 R CB -0.500 29.756 30.300 -0.074 0.000 0.856 665 R HN 0.221 nan 8.270 nan 0.000 0.436 666 G N 0.426 109.202 108.800 -0.040 0.000 2.418 666 G HA2 -0.245 3.721 3.960 0.010 0.000 0.217 666 G HA3 -0.245 3.721 3.960 0.010 0.000 0.217 666 G C 1.064 176.061 174.900 0.161 0.000 1.158 666 G CA 0.544 45.664 45.100 0.035 0.000 0.771 666 G HN 0.157 nan 8.290 nan 0.000 0.545 667 F N 0.869 120.882 119.950 0.105 0.000 2.259 667 F HA 0.191 4.724 4.527 0.010 0.000 0.298 667 F C 2.834 178.520 175.800 -0.189 0.000 1.088 667 F CA 0.552 58.549 58.000 -0.005 0.000 1.358 667 F CB -0.224 38.857 39.000 0.136 0.000 1.040 667 F HN 0.002 nan 8.300 nan 0.000 0.505 668 R N 0.019 120.432 120.500 -0.146 0.000 2.096 668 R HA -0.190 4.157 4.340 0.010 0.000 0.235 668 R C 2.132 178.378 176.300 -0.090 0.000 1.127 668 R CA 1.539 57.464 56.100 -0.291 0.000 0.968 668 R CB -0.485 29.653 30.300 -0.271 0.000 0.861 668 R HN 0.363 nan 8.270 nan 0.000 0.440 669 E N 0.804 121.006 120.200 0.003 0.000 2.072 669 E HA -0.201 4.155 4.350 0.010 0.000 0.191 669 E C 2.021 178.619 176.600 -0.002 0.000 0.985 669 E CA 0.935 57.377 56.400 0.070 0.000 0.801 669 E CB 0.030 29.848 29.700 0.197 0.000 0.750 669 E HN 0.219 nan 8.360 nan 0.000 0.452 670 M N 0.284 119.753 119.600 -0.219 0.000 2.159 670 M HA -0.169 4.317 4.480 0.010 0.000 0.263 670 M C 2.529 178.679 176.300 -0.251 0.000 1.063 670 M CA 1.355 56.246 55.300 -0.681 0.000 1.110 670 M CB -0.267 31.608 32.600 -1.208 0.000 1.374 670 M HN 0.391 nan 8.290 nan 0.000 0.411 671 C N 1.727 120.972 119.300 -0.091 0.000 2.413 671 C HA -0.201 4.265 4.460 0.010 0.000 0.276 671 C C 2.575 177.565 174.990 0.000 0.000 1.236 671 C CA 1.980 60.999 59.018 0.002 0.000 1.735 671 C CB -1.246 26.516 27.740 0.036 0.000 2.031 671 C HN 0.758 nan 8.230 nan 0.000 0.474 672 E N -1.255 118.948 120.200 0.005 0.000 2.150 672 E HA -0.259 4.097 4.350 0.010 0.000 0.193 672 E C 2.077 178.722 176.600 0.075 0.000 0.985 672 E CA 1.357 57.774 56.400 0.029 0.000 0.814 672 E CB -0.849 28.867 29.700 0.028 0.000 0.752 672 E HN 0.754 nan 8.360 nan 0.000 0.466 673 Y N 1.526 121.773 120.300 -0.088 0.000 2.200 673 Y HA -0.052 4.505 4.550 0.010 0.000 0.290 673 Y C 1.994 177.831 175.900 -0.104 0.000 1.137 673 Y CA 1.238 59.289 58.100 -0.082 0.000 1.163 673 Y CB 0.014 38.406 38.460 -0.114 0.000 0.988 673 Y HN 0.001 nan 8.280 nan 0.000 0.518 674 M N 0.295 119.797 119.600 -0.163 0.000 2.561 674 M HA 0.023 4.509 4.480 0.010 0.000 0.238 674 M C 0.664 176.902 176.300 -0.103 0.000 1.131 674 M CA 0.612 55.782 55.300 -0.216 0.000 1.046 674 M CB -1.499 31.049 32.600 -0.087 0.000 1.532 674 M HN 0.374 nan 8.290 nan 0.000 0.497 675 N N 2.424 121.092 118.700 -0.053 0.000 2.727 675 N HA -0.208 4.538 4.740 0.010 0.000 0.249 675 N C -0.860 174.648 175.510 -0.003 0.000 1.048 675 N CA 0.377 53.411 53.050 -0.025 0.000 0.714 675 N CB -1.480 36.981 38.487 -0.044 0.000 0.959 675 N HN 0.529 nan 8.380 nan 0.000 0.544 676 N N 0.197 118.898 118.700 0.002 0.000 2.444 676 N HA 0.058 4.805 4.740 0.010 0.000 0.255 676 N C 1.252 176.755 175.510 -0.012 0.000 1.255 676 N CA -0.094 52.950 53.050 -0.011 0.000 0.933 676 N CB 0.569 39.041 38.487 -0.025 0.000 1.143 676 N HN 0.270 nan 8.380 nan 0.000 0.453 677 K N 0.431 120.812 120.400 -0.033 0.000 2.097 677 K HA -0.102 4.224 4.320 0.010 0.000 0.205 677 K C 0.056 176.644 176.600 -0.021 0.000 1.050 677 K CA 1.319 57.594 56.287 -0.021 0.000 0.938 677 K CB 0.233 32.713 32.500 -0.033 0.000 0.718 677 K HN 0.537 nan 8.250 nan 0.000 0.442 678 Q N -0.249 119.523 119.800 -0.046 0.000 2.327 678 Q HA 0.024 4.370 4.340 0.010 0.000 0.265 678 Q C -1.937 174.034 176.000 -0.048 0.000 0.993 678 Q CA -0.695 55.090 55.803 -0.029 0.000 0.885 678 Q CB 1.281 29.987 28.738 -0.053 0.000 1.379 678 Q HN 0.309 nan 8.270 nan 0.000 0.408 679 H N 4.748 123.770 119.070 -0.081 0.000 3.017 679 H HA 0.236 4.798 4.556 0.010 0.000 0.276 679 H C -0.519 174.628 175.328 -0.302 0.000 1.062 679 H CA 0.749 56.720 56.048 -0.128 0.000 1.486 679 H CB 0.187 29.940 29.762 -0.016 0.000 1.507 679 H HN 0.617 nan 8.280 nan 0.000 0.508 680 L N 4.912 125.591 121.223 -0.907 0.000 3.298 680 L HA 0.203 4.549 4.340 0.010 0.000 0.296 680 L C -0.307 175.657 176.870 -1.510 0.000 1.237 680 L CA -0.187 53.824 54.840 -1.381 0.000 1.038 680 L CB 0.319 41.928 42.059 -0.751 0.000 1.423 680 L HN 0.612 nan 8.230 nan 0.000 0.605 681 M N 1.527 120.420 119.600 -1.178 0.000 2.557 681 M HA 0.253 4.739 4.480 0.010 0.000 0.328 681 M C -1.055 174.877 176.300 -0.614 0.000 1.423 681 M CA 0.280 55.059 55.300 -0.868 0.000 1.418 681 M CB -0.556 31.434 32.600 -1.018 0.000 1.381 681 M HN -0.108 nan 8.290 nan 0.000 0.467 682 F N 3.529 123.332 119.950 -0.244 0.000 2.308 682 F HA 0.471 5.005 4.527 0.010 0.000 0.370 682 F C 0.332 176.141 175.800 0.015 0.000 1.100 682 F CA -1.083 56.872 58.000 -0.074 0.000 1.108 682 F CB 0.692 39.650 39.000 -0.071 0.000 1.293 682 F HN 0.449 nan 8.300 nan 0.000 0.478 683 M N 4.738 124.524 119.600 0.309 0.000 2.047 683 M HA 0.401 4.887 4.480 0.010 0.000 0.342 683 M C -1.389 175.098 176.300 0.312 0.000 1.058 683 M CA -0.200 55.281 55.300 0.303 0.000 0.991 683 M CB 0.285 33.135 32.600 0.416 0.000 1.474 683 M HN 0.366 nan 8.290 nan 0.000 0.419 684 D N 3.398 123.954 120.400 0.259 0.000 2.272 684 D HA 0.312 4.958 4.640 0.010 0.000 0.247 684 D C -0.366 176.046 176.300 0.186 0.000 0.990 684 D CA -0.431 53.702 54.000 0.222 0.000 0.931 684 D CB 1.338 42.206 40.800 0.114 0.000 1.195 684 D HN 0.542 nan 8.370 nan 0.000 0.477 685 R N 1.431 121.961 120.500 0.048 0.000 2.538 685 R HA -0.057 4.289 4.340 0.010 0.000 0.282 685 R C 0.534 176.698 176.300 -0.228 0.000 1.009 685 R CA 0.607 56.462 56.100 -0.409 0.000 1.063 685 R CB 0.648 30.712 30.300 -0.393 0.000 0.945 685 R HN 0.657 nan 8.270 nan 0.000 0.414 686 E N 2.961 122.996 120.200 -0.275 0.000 2.098 686 E HA 0.223 4.580 4.350 0.010 0.000 0.196 686 E C -0.565 175.982 176.600 -0.089 0.000 0.955 686 E CA 0.224 56.550 56.400 -0.124 0.000 0.936 686 E CB 0.278 29.931 29.700 -0.078 0.000 1.054 686 E HN 0.680 nan 8.360 nan 0.000 0.482 687 A N 0.852 123.628 122.820 -0.074 0.000 2.340 687 A HA 0.617 4.944 4.320 0.010 0.000 0.331 687 A C -0.824 176.800 177.584 0.067 0.000 1.140 687 A CA -0.578 51.485 52.037 0.043 0.000 0.801 687 A CB 0.781 19.864 19.000 0.138 0.000 1.234 687 A HN 0.378 nan 8.150 nan 0.000 0.469 688 I N 1.856 122.524 120.570 0.162 0.000 2.382 688 I HA 0.533 4.710 4.170 0.010 0.000 0.286 688 I C 0.312 176.703 176.117 0.458 0.000 1.002 688 I CA -0.123 61.346 61.300 0.282 0.000 1.135 688 I CB 1.633 39.784 38.000 0.251 0.000 1.288 688 I HN 0.718 nan 8.210 nan 0.000 0.448 689 A N 4.752 127.880 122.820 0.512 0.000 2.374 689 A HA 1.011 5.338 4.320 0.010 0.000 0.317 689 A C -0.229 177.743 177.584 0.647 0.000 1.094 689 A CA -0.500 51.866 52.037 0.548 0.000 0.765 689 A CB 1.815 21.026 19.000 0.352 0.000 1.268 689 A HN 0.842 nan 8.150 nan 0.000 0.438 690 G N 0.705 109.938 108.800 0.723 0.000 2.368 690 G HA2 0.615 4.581 3.960 0.010 0.000 0.293 690 G HA3 0.615 4.581 3.960 0.010 0.000 0.293 690 G C -3.564 171.678 174.900 0.570 0.000 1.467 690 G CA -0.660 44.666 45.100 0.376 0.000 0.804 690 G HN 0.578 nan 8.290 nan 0.000 0.535 691 P HA 0.395 nan 4.420 nan 0.000 0.276 691 P C -2.755 174.866 177.300 0.535 0.000 1.244 691 P CA -1.484 61.799 63.100 0.305 0.000 0.801 691 P CB 0.369 32.106 31.700 0.062 0.000 1.006 692 P HA 0.056 nan 4.420 nan 0.000 0.266 692 P C 0.212 177.692 177.300 0.300 0.000 1.195 692 P CA 0.195 63.576 63.100 0.468 0.000 0.768 692 P CB 0.240 32.186 31.700 0.411 0.000 0.838 693 L N 3.082 124.473 121.223 0.281 0.000 2.499 693 L HA 0.072 4.418 4.340 0.010 0.000 0.273 693 L C 1.492 178.465 176.870 0.172 0.000 1.195 693 L CA 1.444 56.443 54.840 0.264 0.000 0.882 693 L CB -0.569 41.661 42.059 0.285 0.000 1.133 693 L HN 0.834 nan 8.230 nan 0.000 0.483 694 G N 2.386 111.272 108.800 0.143 0.000 2.199 694 G HA2 -0.303 3.664 3.960 0.010 0.000 0.254 694 G HA3 -0.303 3.664 3.960 0.010 0.000 0.254 694 G C 0.335 175.290 174.900 0.092 0.000 0.982 694 G CA 0.446 45.610 45.100 0.106 0.000 0.632 694 G HN 0.860 nan 8.290 nan 0.000 0.529 695 S N -0.818 114.946 115.700 0.107 0.000 2.681 695 S HA 0.684 5.160 4.470 0.010 0.000 0.270 695 S C 0.733 175.374 174.600 0.067 0.000 1.209 695 S CA 0.131 58.388 58.200 0.094 0.000 0.988 695 S CB 1.496 64.770 63.200 0.124 0.000 1.006 695 S HN 0.277 nan 8.310 nan 0.000 0.558 696 K N 0.210 120.645 120.400 0.057 0.000 2.437 696 K HA 0.252 4.578 4.320 0.010 0.000 0.205 696 K C 0.882 177.504 176.600 0.037 0.000 1.026 696 K CA -0.093 56.217 56.287 0.038 0.000 1.153 696 K CB 0.054 32.572 32.500 0.031 0.000 0.863 696 K HN 0.721 nan 8.250 nan 0.000 0.502 697 G N 1.347 110.180 108.800 0.054 0.000 2.491 697 G HA2 0.082 4.048 3.960 0.010 0.000 0.238 697 G HA3 0.082 4.048 3.960 0.010 0.000 0.238 697 G C 0.825 175.742 174.900 0.028 0.000 1.277 697 G CA -0.409 44.725 45.100 0.056 0.000 0.851 697 G HN 0.383 nan 8.290 nan 0.000 0.573 698 I N -0.379 120.213 120.570 0.038 0.000 3.728 698 I HA 0.358 4.535 4.170 0.010 0.000 0.307 698 I C 1.704 177.844 176.117 0.038 0.000 1.276 698 I CA 0.511 61.828 61.300 0.029 0.000 1.285 698 I CB 0.171 38.201 38.000 0.050 0.000 1.038 698 I HN 0.800 nan 8.210 nan 0.000 0.445 699 G N 1.308 110.141 108.800 0.056 0.000 2.990 699 G HA2 -0.198 3.768 3.960 0.010 0.000 0.225 699 G HA3 -0.198 3.768 3.960 0.010 0.000 0.225 699 G C 0.511 175.481 174.900 0.116 0.000 1.304 699 G CA -0.028 45.115 45.100 0.071 0.000 0.816 699 G HN 1.196 nan 8.290 nan 0.000 0.528 700 G N -1.029 107.872 108.800 0.168 0.000 2.601 700 G HA2 0.833 4.799 3.960 0.010 0.000 0.291 700 G HA3 0.833 4.799 3.960 0.010 0.000 0.291 700 G C -1.020 174.080 174.900 0.335 0.000 1.456 700 G CA 0.079 45.275 45.100 0.161 0.000 0.804 700 G HN 1.731 nan 8.290 nan 0.000 0.499 701 F N -1.903 118.114 119.950 0.113 0.000 2.654 701 F HA 0.836 5.369 4.527 0.010 0.000 0.308 701 F C -1.739 174.147 175.800 0.143 0.000 1.108 701 F CA -2.043 56.099 58.000 0.237 0.000 0.957 701 F CB 1.506 40.559 39.000 0.089 0.000 1.309 701 F HN 0.531 nan 8.300 nan 0.000 0.446 702 W N 2.300 123.768 121.300 0.279 0.000 2.632 702 W HA 0.344 5.011 4.660 0.010 0.000 0.328 702 W C 0.360 177.025 176.519 0.243 0.000 1.044 702 W CA -0.180 57.220 57.345 0.092 0.000 1.225 702 W CB 2.721 32.146 29.460 -0.057 0.000 1.396 702 W HN 0.895 nan 8.180 nan 0.000 0.499 703 T N -0.308 114.448 114.554 0.336 0.000 3.015 703 T HA 0.431 4.787 4.350 0.010 0.000 0.250 703 T C 0.575 175.405 174.700 0.216 0.000 1.057 703 T CA 0.792 63.068 62.100 0.293 0.000 1.066 703 T CB 0.961 70.002 68.868 0.288 0.000 0.959 703 T HN 0.567 nan 8.240 nan 0.000 0.488 704 G N 0.438 109.361 108.800 0.205 0.000 2.325 704 G HA2 0.360 4.326 3.960 0.010 0.000 0.295 704 G HA3 0.360 4.326 3.960 0.010 0.000 0.295 704 G C -1.871 173.128 174.900 0.165 0.000 1.274 704 G CA -1.203 43.998 45.100 0.169 0.000 0.857 704 G HN 0.269 nan 8.290 nan 0.000 0.499 705 K N 0.955 121.462 120.400 0.179 0.000 2.484 705 K HA 0.233 4.559 4.320 0.010 0.000 0.280 705 K C 0.214 176.933 176.600 0.197 0.000 1.013 705 K CA 0.725 57.166 56.287 0.256 0.000 1.029 705 K CB 0.270 32.892 32.500 0.205 0.000 0.902 705 K HN 0.615 nan 8.250 nan 0.000 0.481 706 K N 1.419 121.990 120.400 0.285 0.000 3.160 706 K HA -0.248 4.078 4.320 0.010 0.000 0.280 706 K C -0.630 175.976 176.600 0.009 0.000 1.154 706 K CA 0.942 57.351 56.287 0.202 0.000 0.822 706 K CB -0.869 31.718 32.500 0.145 0.000 1.239 706 K HN 0.581 nan 8.250 nan 0.000 0.489 707 R N 0.418 120.899 120.500 -0.031 0.000 2.713 707 R HA 0.280 4.626 4.340 0.010 0.000 0.282 707 R C -1.250 174.837 176.300 -0.356 0.000 1.472 707 R CA -0.732 55.262 56.100 -0.177 0.000 1.060 707 R CB 0.857 31.143 30.300 -0.023 0.000 1.237 707 R HN 0.256 nan 8.270 nan 0.000 0.484 708 Y N -1.019 118.807 120.300 -0.791 0.000 2.677 708 Y HA 0.816 5.372 4.550 0.010 0.000 0.334 708 Y C -1.861 173.337 175.900 -1.170 0.000 1.196 708 Y CA -1.347 55.965 58.100 -1.313 0.000 1.059 708 Y CB 1.316 38.328 38.460 -2.414 0.000 1.315 708 Y HN 0.376 nan 8.280 nan 0.000 0.455 709 A N 2.442 124.523 122.820 -1.231 0.000 2.449 709 A HA 0.876 5.202 4.320 0.010 0.000 0.302 709 A C -2.043 175.186 177.584 -0.591 0.000 1.048 709 A CA -0.836 50.655 52.037 -0.910 0.000 0.708 709 A CB 1.447 19.847 19.000 -1.001 0.000 1.274 709 A HN 0.806 nan 8.150 nan 0.000 0.410 710 L N 1.334 122.365 121.223 -0.320 0.000 2.422 710 L HA 0.427 4.773 4.340 0.010 0.000 0.264 710 L C -0.546 176.269 176.870 -0.092 0.000 0.984 710 L CA -0.883 53.886 54.840 -0.117 0.000 0.819 710 L CB 2.495 44.570 42.059 0.026 0.000 1.330 710 L HN 0.782 nan 8.230 nan 0.000 0.410 711 N N 1.727 120.404 118.700 -0.037 0.000 2.469 711 N HA 0.366 5.112 4.740 0.010 0.000 0.239 711 N C -1.200 174.229 175.510 -0.134 0.000 1.053 711 N CA -0.177 52.800 53.050 -0.122 0.000 0.937 711 N CB 0.912 39.355 38.487 -0.074 0.000 1.163 711 N HN 0.265 nan 8.380 nan 0.000 0.509 712 V N 4.222 124.016 119.914 -0.200 0.000 2.427 712 V HA 0.277 4.404 4.120 0.010 0.000 0.286 712 V C 0.180 176.208 176.094 -0.109 0.000 1.034 712 V CA -0.498 61.789 62.300 -0.023 0.000 0.893 712 V CB 1.248 33.135 31.823 0.107 0.000 0.982 712 V HN 0.775 nan 8.190 nan 0.000 0.452 713 W N 0.692 122.119 121.300 0.213 0.000 2.808 713 W HA 0.311 4.977 4.660 0.011 0.000 0.266 713 W C 0.696 177.283 176.519 0.113 0.000 1.247 713 W CA -0.062 57.382 57.345 0.165 0.000 1.440 713 W CB 0.669 30.111 29.460 -0.030 0.000 1.040 713 W HN 0.468 nan 8.180 nan 0.000 0.606 714 D N 0.073 120.619 120.400 0.243 0.000 2.964 714 D HA 0.234 4.880 4.640 0.010 0.000 0.234 714 D C -1.240 175.054 176.300 -0.010 0.000 1.223 714 D CA -0.234 53.759 54.000 -0.011 0.000 0.889 714 D CB 1.546 42.347 40.800 0.002 0.000 1.609 714 D HN -0.306 nan 8.370 nan 0.000 0.523 715 M N 2.862 122.366 119.600 -0.160 0.000 2.106 715 M HA 0.169 4.656 4.480 0.010 0.000 0.288 715 M C -0.226 176.017 176.300 -0.095 0.000 0.941 715 M CA -0.091 55.178 55.300 -0.051 0.000 0.934 715 M CB 1.453 34.099 32.600 0.077 0.000 1.551 715 M HN 0.554 nan 8.290 nan 0.000 0.437 716 E N 1.788 121.951 120.200 -0.061 0.000 2.440 716 E HA -0.260 4.096 4.350 0.010 0.000 0.246 716 E C 0.835 177.390 176.600 -0.076 0.000 1.165 716 E CA 0.882 57.248 56.400 -0.058 0.000 0.726 716 E CB -1.330 28.347 29.700 -0.039 0.000 1.271 716 E HN 1.241 nan 8.360 nan 0.000 0.397 717 G N -0.832 107.914 108.800 -0.091 0.000 2.195 717 G HA2 -0.306 3.660 3.960 0.010 0.000 0.246 717 G HA3 -0.306 3.660 3.960 0.010 0.000 0.246 717 G C 0.329 175.151 174.900 -0.131 0.000 0.984 717 G CA 0.346 45.393 45.100 -0.090 0.000 0.633 717 G HN 0.264 nan 8.290 nan 0.000 0.525 718 T N 1.271 115.702 114.554 -0.205 0.000 2.723 718 T HA 0.514 4.870 4.350 0.010 0.000 0.297 718 T C 0.338 174.767 174.700 -0.453 0.000 0.925 718 T CA -0.135 61.778 62.100 -0.311 0.000 1.030 718 T CB 1.318 69.958 68.868 -0.380 0.000 0.905 718 T HN 0.425 nan 8.240 nan 0.000 0.502 719 R N 3.369 123.706 120.500 -0.271 0.000 2.196 719 R HA 0.297 4.643 4.340 0.010 0.000 0.340 719 R C -1.134 175.094 176.300 -0.120 0.000 1.043 719 R CA -0.565 55.427 56.100 -0.179 0.000 0.883 719 R CB -0.314 29.953 30.300 -0.056 0.000 1.078 719 R HN 0.478 nan 8.270 nan 0.000 0.462 720 Y N 2.430 122.770 120.300 0.067 0.000 2.346 720 Y HA 0.176 4.732 4.550 0.010 0.000 0.330 720 Y C 1.547 177.501 175.900 0.089 0.000 1.178 720 Y CA 0.276 58.407 58.100 0.050 0.000 1.331 720 Y CB 0.968 39.433 38.460 0.008 0.000 1.253 720 Y HN 0.771 nan 8.280 nan 0.000 0.529 721 A N 1.689 124.660 122.820 0.251 0.000 1.933 721 A HA -0.059 4.267 4.320 0.010 0.000 0.218 721 A C 0.569 178.291 177.584 0.230 0.000 1.175 721 A CA 1.270 53.439 52.037 0.220 0.000 0.628 721 A CB -0.147 18.956 19.000 0.172 0.000 0.814 721 A HN 0.666 nan 8.150 nan 0.000 0.444 722 E N -0.418 119.881 120.200 0.164 0.000 2.266 722 E HA 0.387 4.743 4.350 0.010 0.000 0.268 722 E C -2.896 173.653 176.600 -0.085 0.000 0.879 722 E CA -2.565 53.876 56.400 0.067 0.000 0.762 722 E CB 1.351 31.061 29.700 0.016 0.000 1.199 722 E HN 0.118 nan 8.360 nan 0.000 0.422 723 P HA 0.023 nan 4.420 nan 0.000 0.266 723 P C -0.489 176.501 177.300 -0.516 0.000 1.195 723 P CA -0.016 62.666 63.100 -0.697 0.000 0.768 723 P CB 0.697 31.600 31.700 -1.327 0.000 0.838 724 K N 3.105 123.165 120.400 -0.567 0.000 2.274 724 K HA 0.377 4.703 4.320 0.010 0.000 0.262 724 K C -0.466 175.911 176.600 -0.371 0.000 0.961 724 K CA -0.602 55.352 56.287 -0.554 0.000 0.833 724 K CB 0.451 32.375 32.500 -0.960 0.000 1.102 724 K HN 0.345 nan 8.250 nan 0.000 0.436 725 L N 4.596 125.643 121.223 -0.294 0.000 2.418 725 L HA 0.192 4.538 4.340 0.010 0.000 0.274 725 L C 0.273 177.016 176.870 -0.211 0.000 1.135 725 L CA 0.021 54.721 54.840 -0.233 0.000 0.870 725 L CB 0.475 42.411 42.059 -0.205 0.000 1.154 725 L HN 0.576 nan 8.230 nan 0.000 0.462 726 K N 5.862 126.150 120.400 -0.187 0.000 2.347 726 K HA 0.509 4.835 4.320 0.010 0.000 0.262 726 K C -0.980 175.450 176.600 -0.282 0.000 1.052 726 K CA -0.420 55.767 56.287 -0.166 0.000 0.946 726 K CB 0.561 33.029 32.500 -0.053 0.000 1.220 726 K HN 0.512 nan 8.250 nan 0.000 0.450 727 I N 5.301 125.678 120.570 -0.322 0.000 2.389 727 I HA 0.317 4.493 4.170 0.010 0.000 0.288 727 I C -0.589 175.234 176.117 -0.489 0.000 0.999 727 I CA -0.859 60.168 61.300 -0.456 0.000 1.129 727 I CB 1.640 39.423 38.000 -0.362 0.000 1.288 727 I HN 0.393 nan 8.210 nan 0.000 0.444 728 M N 4.361 123.494 119.600 -0.779 0.000 2.243 728 M HA 0.443 4.929 4.480 0.010 0.000 0.324 728 M C 0.957 176.932 176.300 -0.542 0.000 1.031 728 M CA -0.612 54.279 55.300 -0.682 0.000 0.949 728 M CB 0.789 32.824 32.600 -0.942 0.000 1.615 728 M HN 0.898 nan 8.290 nan 0.000 0.430 729 G N 2.512 111.138 108.800 -0.290 0.000 2.347 729 G HA2 -0.233 3.734 3.960 0.010 0.000 0.247 729 G HA3 -0.233 3.734 3.960 0.010 0.000 0.247 729 G C 0.230 175.060 174.900 -0.116 0.000 1.037 729 G CA 0.046 45.045 45.100 -0.170 0.000 0.622 729 G HN 0.585 nan 8.290 nan 0.000 0.521 730 L N 0.405 121.526 121.223 -0.169 0.000 2.479 730 L HA 0.309 4.655 4.340 0.010 0.000 0.270 730 L C 1.918 178.806 176.870 0.029 0.000 1.236 730 L CA -0.074 54.741 54.840 -0.042 0.000 0.823 730 L CB 0.193 42.122 42.059 -0.217 0.000 1.098 730 L HN 0.086 nan 8.230 nan 0.000 0.500 731 E N 0.166 120.464 120.200 0.163 0.000 2.273 731 E HA -0.189 4.167 4.350 0.010 0.000 0.198 731 E C 1.912 178.558 176.600 0.076 0.000 1.002 731 E CA 1.657 58.123 56.400 0.110 0.000 0.828 731 E CB -0.280 29.491 29.700 0.119 0.000 0.747 731 E HN 0.866 nan 8.360 nan 0.000 0.491 732 T N -1.356 113.240 114.554 0.070 0.000 2.929 732 T HA -0.153 4.203 4.350 0.010 0.000 0.271 732 T C 1.366 176.064 174.700 -0.002 0.000 1.085 732 T CA 0.839 62.955 62.100 0.026 0.000 1.125 732 T CB -0.026 68.829 68.868 -0.022 0.000 0.874 732 T HN 0.015 nan 8.240 nan 0.000 0.494 733 Q N 0.614 120.399 119.800 -0.025 0.000 2.319 733 Q HA 0.313 4.660 4.340 0.010 0.000 0.202 733 Q C 0.015 176.007 176.000 -0.012 0.000 0.896 733 Q CA 0.294 56.078 55.803 -0.033 0.000 0.942 733 Q CB 0.379 29.071 28.738 -0.077 0.000 1.083 733 Q HN 0.600 nan 8.270 nan 0.000 0.510 734 K N 0.864 121.263 120.400 -0.001 0.000 2.213 734 K HA 0.204 4.530 4.320 0.010 0.000 0.270 734 K C 0.985 177.584 176.600 -0.001 0.000 1.002 734 K CA -0.048 56.236 56.287 -0.004 0.000 0.868 734 K CB 1.398 33.896 32.500 -0.003 0.000 1.093 734 K HN -0.028 nan 8.250 nan 0.000 0.454 735 S N 0.578 116.269 115.700 -0.015 0.000 2.442 735 S HA -0.182 4.295 4.470 0.010 0.000 0.236 735 S C 1.727 176.306 174.600 -0.035 0.000 1.007 735 S CA 1.463 59.647 58.200 -0.028 0.000 0.965 735 S CB -0.303 62.865 63.200 -0.053 0.000 0.773 735 S HN 0.622 nan 8.310 nan 0.000 0.504 736 S N 0.718 116.396 115.700 -0.036 0.000 2.453 736 S HA 0.024 4.500 4.470 0.010 0.000 0.231 736 S C 0.831 175.425 174.600 -0.009 0.000 1.005 736 S CA 0.383 58.558 58.200 -0.042 0.000 0.949 736 S CB -0.979 62.187 63.200 -0.056 0.000 0.774 736 S HN 0.453 nan 8.310 nan 0.000 0.510 737 T N 4.819 119.379 114.554 0.010 0.000 2.851 737 T HA 0.359 4.715 4.350 0.010 0.000 0.298 737 T C -2.617 172.114 174.700 0.053 0.000 0.977 737 T CA -1.077 61.043 62.100 0.035 0.000 1.126 737 T CB 0.909 69.805 68.868 0.045 0.000 0.916 737 T HN 0.146 nan 8.240 nan 0.000 0.529 738 P HA 0.080 nan 4.420 nan 0.000 0.267 738 P C 1.027 178.376 177.300 0.082 0.000 1.200 738 P CA -0.282 62.860 63.100 0.070 0.000 0.772 738 P CB 0.614 32.364 31.700 0.083 0.000 0.855 739 K N 2.449 122.894 120.400 0.076 0.000 2.044 739 K HA -0.194 4.132 4.320 0.010 0.000 0.210 739 K C 1.810 178.465 176.600 0.091 0.000 1.049 739 K CA 2.185 58.524 56.287 0.086 0.000 0.927 739 K CB -0.778 31.773 32.500 0.085 0.000 0.713 739 K HN 0.502 nan 8.250 nan 0.000 0.443 740 A N 0.805 123.687 122.820 0.104 0.000 2.014 740 A HA -0.069 4.258 4.320 0.010 0.000 0.218 740 A C 2.368 180.039 177.584 0.145 0.000 1.163 740 A CA 1.080 53.203 52.037 0.143 0.000 0.652 740 A CB -0.305 18.805 19.000 0.184 0.000 0.808 740 A HN 0.078 nan 8.150 nan 0.000 0.449 741 V N -0.207 119.793 119.914 0.143 0.000 2.379 741 V HA -0.264 3.862 4.120 0.010 0.000 0.245 741 V C 2.549 178.711 176.094 0.112 0.000 1.044 741 V CA 1.979 64.359 62.300 0.132 0.000 1.036 741 V CB -0.856 31.078 31.823 0.185 0.000 0.664 741 V HN 0.619 nan 8.190 nan 0.000 0.453 742 Q N 0.052 119.911 119.800 0.097 0.000 2.077 742 Q HA -0.298 4.048 4.340 0.010 0.000 0.206 742 Q C 2.367 178.404 176.000 0.063 0.000 0.989 742 Q CA 2.097 57.948 55.803 0.081 0.000 0.853 742 Q CB -0.268 28.511 28.738 0.068 0.000 0.907 742 Q HN 0.552 nan 8.270 nan 0.000 0.418 743 K N 0.182 120.616 120.400 0.056 0.000 2.057 743 K HA -0.138 4.189 4.320 0.010 0.000 0.207 743 K C 2.053 178.669 176.600 0.027 0.000 1.049 743 K CA 1.120 57.432 56.287 0.042 0.000 0.931 743 K CB -0.115 32.423 32.500 0.063 0.000 0.714 743 K HN 0.182 nan 8.250 nan 0.000 0.440 744 A N 1.182 123.988 122.820 -0.023 0.000 1.898 744 A HA -0.100 4.226 4.320 0.010 0.000 0.216 744 A C 2.102 179.760 177.584 0.124 0.000 1.181 744 A CA 1.122 53.098 52.037 -0.102 0.000 0.620 744 A CB -0.579 17.808 19.000 -1.022 0.000 0.819 744 A HN 0.296 nan 8.150 nan 0.000 0.442 745 L N -0.679 120.653 121.223 0.182 0.000 2.083 745 L HA -0.197 4.149 4.340 0.010 0.000 0.209 745 L C 2.643 179.591 176.870 0.131 0.000 1.083 745 L CA 1.878 56.851 54.840 0.221 0.000 0.752 745 L CB -0.381 41.827 42.059 0.248 0.000 0.899 745 L HN 0.458 nan 8.230 nan 0.000 0.433 746 K N 0.189 120.620 120.400 0.052 0.000 2.097 746 K HA -0.264 4.062 4.320 0.010 0.000 0.206 746 K C 2.063 178.624 176.600 -0.065 0.000 1.049 746 K CA 1.688 57.960 56.287 -0.024 0.000 0.933 746 K CB 0.095 32.571 32.500 -0.039 0.000 0.717 746 K HN 0.082 nan 8.250 nan 0.000 0.442 747 E N 0.422 120.562 120.200 -0.099 0.000 2.106 747 E HA -0.137 4.219 4.350 0.010 0.000 0.192 747 E C 1.772 178.237 176.600 -0.224 0.000 0.984 747 E CA 1.426 57.671 56.400 -0.258 0.000 0.806 747 E CB -0.382 28.996 29.700 -0.537 0.000 0.750 747 E HN 0.358 nan 8.360 nan 0.000 0.458 748 C N 0.066 119.338 119.300 -0.046 0.000 2.413 748 C HA -0.101 4.366 4.460 0.010 0.000 0.276 748 C C 2.605 177.623 174.990 0.046 0.000 1.236 748 C CA 0.857 59.924 59.018 0.082 0.000 1.735 748 C CB -1.032 26.821 27.740 0.190 0.000 2.031 748 C HN 0.479 nan 8.230 nan 0.000 0.474 749 I N 0.135 120.725 120.570 0.034 0.000 2.202 749 I HA -0.196 3.980 4.170 0.010 0.000 0.242 749 I C 2.855 178.971 176.117 -0.003 0.000 1.091 749 I CA 1.414 62.731 61.300 0.028 0.000 1.368 749 I CB -0.616 37.358 38.000 -0.045 0.000 1.058 749 I HN 0.308 nan 8.210 nan 0.000 0.410 750 R N 1.204 121.670 120.500 -0.057 0.000 2.096 750 R HA -0.220 4.126 4.340 0.010 0.000 0.240 750 R C 2.494 178.770 176.300 -0.040 0.000 1.139 750 R CA 1.840 57.896 56.100 -0.073 0.000 0.952 750 R CB -0.164 30.070 30.300 -0.109 0.000 0.854 750 R HN 0.288 nan 8.270 nan 0.000 0.436 751 R N -0.217 120.258 120.500 -0.042 0.000 2.073 751 R HA -0.105 4.241 4.340 0.010 0.000 0.234 751 R C 2.491 178.806 176.300 0.026 0.000 1.134 751 R CA 2.059 58.155 56.100 -0.007 0.000 0.952 751 R CB -0.315 29.984 30.300 -0.002 0.000 0.850 751 R HN 0.283 nan 8.270 nan 0.000 0.433 752 M N 0.433 120.052 119.600 0.033 0.000 2.073 752 M HA -0.231 4.255 4.480 0.010 0.000 0.258 752 M C 2.182 178.516 176.300 0.057 0.000 1.070 752 M CA 1.843 57.166 55.300 0.038 0.000 1.103 752 M CB -0.325 32.290 32.600 0.026 0.000 1.321 752 M HN 0.156 nan 8.290 nan 0.000 0.405 753 L N -1.213 120.049 121.223 0.065 0.000 2.179 753 L HA -0.143 4.203 4.340 0.010 0.000 0.208 753 L C 2.173 179.082 176.870 0.065 0.000 1.096 753 L CA 1.079 55.961 54.840 0.070 0.000 0.779 753 L CB -0.544 41.540 42.059 0.042 0.000 0.922 753 L HN 0.432 nan 8.230 nan 0.000 0.443 754 Q N -0.888 118.942 119.800 0.050 0.000 2.402 754 Q HA 0.019 4.365 4.340 0.010 0.000 0.231 754 Q C 1.292 177.342 176.000 0.083 0.000 0.888 754 Q CA 0.436 56.284 55.803 0.076 0.000 0.938 754 Q CB 0.751 29.511 28.738 0.036 0.000 1.086 754 Q HN 0.482 nan 8.270 nan 0.000 0.543 755 E N -0.674 119.562 120.200 0.059 0.000 2.399 755 E HA 0.265 4.622 4.350 0.010 0.000 0.206 755 E C 0.367 176.998 176.600 0.053 0.000 0.812 755 E CA 0.336 56.771 56.400 0.059 0.000 1.138 755 E CB 1.566 31.296 29.700 0.051 0.000 1.140 755 E HN 0.230 nan 8.360 nan 0.000 0.536 756 G N 1.361 110.188 108.800 0.046 0.000 2.434 756 G HA2 -0.234 3.732 3.960 0.010 0.000 0.671 756 G HA3 -0.234 3.732 3.960 0.010 0.000 0.671 756 G C 0.126 175.049 174.900 0.039 0.000 1.280 756 G CA -0.078 45.045 45.100 0.037 0.000 0.975 756 G HN 0.125 nan 8.290 nan 0.000 0.510 757 E N -0.383 119.834 120.200 0.027 0.000 2.058 757 E HA -0.184 4.172 4.350 0.010 0.000 0.194 757 E C 2.072 178.702 176.600 0.049 0.000 0.997 757 E CA 1.883 58.299 56.400 0.027 0.000 0.801 757 E CB -0.095 29.608 29.700 0.005 0.000 0.746 757 E HN 0.586 nan 8.360 nan 0.000 0.450 758 E N -0.106 120.123 120.200 0.049 0.000 2.051 758 E HA -0.209 4.147 4.350 0.010 0.000 0.192 758 E C 2.079 178.735 176.600 0.093 0.000 0.991 758 E CA 1.345 57.784 56.400 0.064 0.000 0.799 758 E CB -0.203 29.529 29.700 0.054 0.000 0.748 758 E HN 0.145 nan 8.360 nan 0.000 0.449 759 S N 0.210 115.963 115.700 0.089 0.000 2.370 759 S HA -0.156 4.320 4.470 0.010 0.000 0.226 759 S C 1.953 176.645 174.600 0.153 0.000 1.033 759 S CA 1.116 59.382 58.200 0.109 0.000 1.011 759 S CB -0.409 62.840 63.200 0.081 0.000 0.852 759 S HN 0.443 nan 8.310 nan 0.000 0.457 760 L N 1.114 122.420 121.223 0.138 0.000 2.017 760 L HA -0.147 4.199 4.340 0.010 0.000 0.208 760 L C 2.353 179.382 176.870 0.265 0.000 1.073 760 L CA 2.081 57.032 54.840 0.185 0.000 0.745 760 L CB -1.182 40.950 42.059 0.121 0.000 0.894 760 L HN 0.498 nan 8.230 nan 0.000 0.432 761 Q N -0.362 119.561 119.800 0.204 0.000 2.124 761 Q HA -0.221 4.125 4.340 0.010 0.000 0.202 761 Q C 2.008 178.176 176.000 0.281 0.000 0.977 761 Q CA 1.714 57.655 55.803 0.230 0.000 0.850 761 Q CB -0.029 28.788 28.738 0.131 0.000 0.901 761 Q HN 0.602 nan 8.270 nan 0.000 0.429 762 E N -0.212 120.127 120.200 0.232 0.000 2.077 762 E HA -0.212 4.144 4.350 0.010 0.000 0.193 762 E C 1.667 178.420 176.600 0.255 0.000 0.989 762 E CA 1.019 57.547 56.400 0.213 0.000 0.800 762 E CB -0.110 29.696 29.700 0.177 0.000 0.746 762 E HN 0.394 nan 8.360 nan 0.000 0.452 763 Y N 0.125 120.541 120.300 0.193 0.000 2.200 763 Y HA -0.240 4.316 4.550 0.010 0.000 0.290 763 Y C 2.103 178.168 175.900 0.276 0.000 1.137 763 Y CA 1.385 59.605 58.100 0.201 0.000 1.163 763 Y CB -0.136 38.430 38.460 0.177 0.000 0.988 763 Y HN 0.033 nan 8.280 nan 0.000 0.518 764 F N 1.140 121.254 119.950 0.274 0.000 2.102 764 F HA -0.205 4.328 4.527 0.010 0.000 0.298 764 F C 2.418 178.336 175.800 0.198 0.000 1.105 764 F CA 2.115 60.291 58.000 0.294 0.000 1.239 764 F CB -0.514 38.693 39.000 0.345 0.000 0.991 764 F HN -0.129 nan 8.300 nan 0.000 0.474 765 K N 0.004 120.512 120.400 0.179 0.000 2.063 765 K HA -0.278 4.048 4.320 0.010 0.000 0.208 765 K C 2.133 178.665 176.600 -0.113 0.000 1.048 765 K CA 1.963 58.268 56.287 0.031 0.000 0.928 765 K CB -0.280 32.304 32.500 0.141 0.000 0.713 765 K HN 0.262 nan 8.250 nan 0.000 0.442 766 E N 0.064 120.202 120.200 -0.103 0.000 2.047 766 E HA -0.152 4.204 4.350 0.010 0.000 0.191 766 E C 1.699 178.158 176.600 -0.235 0.000 0.987 766 E CA 1.159 57.466 56.400 -0.154 0.000 0.799 766 E CB -0.337 29.276 29.700 -0.145 0.000 0.752 766 E HN 0.322 nan 8.360 nan 0.000 0.449 767 F N 1.262 120.918 119.950 -0.491 0.000 2.134 767 F HA -0.145 4.388 4.527 0.010 0.000 0.299 767 F C 2.271 177.838 175.800 -0.388 0.000 1.097 767 F CA 1.988 59.684 58.000 -0.506 0.000 1.264 767 F CB -0.066 38.536 39.000 -0.663 0.000 1.001 767 F HN 0.109 nan 8.300 nan 0.000 0.479 768 E N 0.193 120.122 120.200 -0.451 0.000 2.110 768 E HA -0.300 4.056 4.350 0.010 0.000 0.193 768 E C 2.132 178.649 176.600 -0.138 0.000 0.988 768 E CA 1.368 57.524 56.400 -0.408 0.000 0.804 768 E CB -0.086 29.279 29.700 -0.558 0.000 0.745 768 E HN 0.312 nan 8.360 nan 0.000 0.458 769 K N 0.228 120.520 120.400 -0.179 0.000 2.057 769 K HA -0.111 4.215 4.320 0.010 0.000 0.206 769 K C 1.680 178.176 176.600 -0.174 0.000 1.050 769 K CA 1.513 57.721 56.287 -0.132 0.000 0.935 769 K CB 0.278 32.706 32.500 -0.120 0.000 0.715 769 K HN 0.057 nan 8.250 nan 0.000 0.439 770 E N -0.518 119.541 120.200 -0.235 0.000 2.460 770 E HA -0.025 4.331 4.350 0.010 0.000 0.200 770 E C 1.590 177.967 176.600 -0.371 0.000 1.011 770 E CA 0.075 56.312 56.400 -0.271 0.000 0.912 770 E CB 0.047 29.619 29.700 -0.214 0.000 0.953 770 E HN 0.427 nan 8.360 nan 0.000 0.494 771 F N 1.828 121.398 119.950 -0.633 0.000 2.269 771 F HA -0.024 4.509 4.527 0.010 0.000 0.301 771 F C 1.813 177.399 175.800 -0.357 0.000 1.082 771 F CA 0.832 58.411 58.000 -0.702 0.000 1.360 771 F CB -0.404 37.951 39.000 -1.075 0.000 1.041 771 F HN -0.197 nan 8.300 nan 0.000 0.512 772 R N 0.477 120.170 120.500 -1.345 0.000 2.285 772 R HA -0.082 4.264 4.340 0.010 0.000 0.213 772 R C 1.853 177.732 176.300 -0.702 0.000 1.068 772 R CA 1.295 56.597 56.100 -1.330 0.000 1.004 772 R CB -0.420 29.062 30.300 -1.363 0.000 0.873 772 R HN 0.543 nan 8.270 nan 0.000 0.467 773 Q N 0.095 119.635 119.800 -0.434 0.000 2.354 773 Q HA 0.087 4.433 4.340 0.010 0.000 0.203 773 Q C 0.136 176.073 176.000 -0.106 0.000 0.933 773 Q CA 0.129 55.792 55.803 -0.234 0.000 0.901 773 Q CB 0.270 28.894 28.738 -0.190 0.000 1.007 773 Q HN 0.264 nan 8.270 nan 0.000 0.495 774 L N 2.446 123.621 121.223 -0.081 0.000 2.514 774 L HA -0.040 4.307 4.340 0.010 0.000 0.280 774 L C 0.741 177.661 176.870 0.083 0.000 1.223 774 L CA -0.239 54.612 54.840 0.018 0.000 0.864 774 L CB 0.056 42.150 42.059 0.059 0.000 1.118 774 L HN 0.287 nan 8.230 nan 0.000 0.494 775 N N 2.266 121.008 118.700 0.071 0.000 2.412 775 N HA -0.147 4.599 4.740 0.010 0.000 0.254 775 N C 0.983 176.551 175.510 0.097 0.000 1.232 775 N CA 0.091 53.200 53.050 0.099 0.000 0.880 775 N CB 0.649 39.159 38.487 0.038 0.000 1.076 775 N HN 0.605 nan 8.380 nan 0.000 0.458 776 Y N 3.763 124.078 120.300 0.026 0.000 2.193 776 Y HA -0.156 4.400 4.550 0.010 0.000 0.285 776 Y C 1.907 177.811 175.900 0.007 0.000 1.166 776 Y CA 0.944 59.054 58.100 0.016 0.000 1.181 776 Y CB -0.255 38.201 38.460 -0.008 0.000 0.976 776 Y HN 0.505 nan 8.280 nan 0.000 0.520 777 I N 1.267 121.374 120.570 -0.772 0.000 2.252 777 I HA -0.277 3.899 4.170 0.010 0.000 0.245 777 I C 2.723 178.573 176.117 -0.445 0.000 1.102 777 I CA 1.706 62.549 61.300 -0.761 0.000 1.385 777 I CB -0.547 37.009 38.000 -0.741 0.000 1.064 777 I HN 0.501 nan 8.210 nan 0.000 0.414 778 S N 1.311 116.883 115.700 -0.213 0.000 2.474 778 S HA -0.091 4.385 4.470 0.010 0.000 0.235 778 S C 1.662 176.260 174.600 -0.003 0.000 0.997 778 S CA 0.848 59.007 58.200 -0.068 0.000 0.949 778 S CB -0.641 62.559 63.200 0.001 0.000 0.766 778 S HN 0.671 nan 8.310 nan 0.000 0.517 779 I N -1.901 118.669 120.570 -0.000 0.000 4.025 779 I HA 0.601 4.777 4.170 0.010 0.000 0.336 779 I C 0.548 176.693 176.117 0.047 0.000 1.390 779 I CA -0.789 60.555 61.300 0.074 0.000 1.099 779 I CB 0.028 38.121 38.000 0.155 0.000 1.049 779 I HN 0.221 nan 8.210 nan 0.000 0.394 780 A N 1.317 124.113 122.820 -0.041 0.000 2.354 780 A HA 0.629 4.955 4.320 0.010 0.000 0.269 780 A C 0.472 178.064 177.584 0.014 0.000 1.109 780 A CA -0.115 51.908 52.037 -0.023 0.000 0.800 780 A CB 0.465 19.357 19.000 -0.179 0.000 1.045 780 A HN 0.384 nan 8.150 nan 0.000 0.489 781 S N -0.229 115.505 115.700 0.058 0.000 2.614 781 S HA 0.490 4.966 4.470 0.010 0.000 0.265 781 S C -0.040 174.584 174.600 0.041 0.000 1.303 781 S CA -0.391 57.841 58.200 0.052 0.000 1.000 781 S CB 0.965 64.200 63.200 0.058 0.000 0.935 781 S HN 0.629 nan 8.310 nan 0.000 0.551 782 V N 1.140 121.047 119.914 -0.012 0.000 2.789 782 V HA 0.780 4.906 4.120 0.010 0.000 0.311 782 V C -0.270 175.735 176.094 -0.148 0.000 1.073 782 V CA -0.528 61.711 62.300 -0.101 0.000 0.921 782 V CB 1.967 33.714 31.823 -0.126 0.000 1.009 782 V HN 0.799 nan 8.190 nan 0.000 0.426 783 S N 1.921 117.494 115.700 -0.211 0.000 2.537 783 S HA 0.578 5.054 4.470 0.010 0.000 0.270 783 S C -0.459 173.990 174.600 -0.252 0.000 1.142 783 S CA -0.406 57.625 58.200 -0.281 0.000 0.870 783 S CB 2.058 64.963 63.200 -0.491 0.000 1.112 783 S HN 0.738 nan 8.310 nan 0.000 0.466 784 S N 2.002 117.568 115.700 -0.223 0.000 2.573 784 S HA 0.558 5.034 4.470 0.010 0.000 0.277 784 S C -0.025 174.516 174.600 -0.098 0.000 1.346 784 S CA -0.041 58.069 58.200 -0.150 0.000 1.034 784 S CB 0.858 63.993 63.200 -0.108 0.000 0.879 784 S HN 1.004 nan 8.310 nan 0.000 0.528 785 A N 3.615 126.406 122.820 -0.048 0.000 2.545 785 A HA 0.525 4.851 4.320 0.010 0.000 0.300 785 A C -0.456 177.071 177.584 -0.096 0.000 1.252 785 A CA -0.920 51.136 52.037 0.032 0.000 0.753 785 A CB 0.275 19.282 19.000 0.011 0.000 1.144 785 A HN 0.707 nan 8.150 nan 0.000 0.457 786 N N 0.960 119.576 118.700 -0.140 0.000 2.430 786 N HA 0.350 5.096 4.740 0.010 0.000 0.298 786 N C -0.319 175.050 175.510 -0.234 0.000 1.130 786 N CA -0.472 52.331 53.050 -0.412 0.000 0.894 786 N CB 1.125 39.098 38.487 -0.857 0.000 1.209 786 N HN 0.616 nan 8.380 nan 0.000 0.503 787 N N -0.048 118.500 118.700 -0.254 0.000 2.754 787 N HA -0.161 4.585 4.740 0.010 0.000 0.248 787 N C 0.747 176.285 175.510 0.047 0.000 1.093 787 N CA 0.136 53.157 53.050 -0.048 0.000 0.699 787 N CB -1.317 37.201 38.487 0.052 0.000 1.016 787 N HN 0.566 nan 8.380 nan 0.000 0.552 788 I N -0.599 119.968 120.570 -0.005 0.000 2.208 788 I HA -0.321 3.855 4.170 0.010 0.000 0.245 788 I C 2.529 178.665 176.117 0.032 0.000 1.097 788 I CA 1.690 63.000 61.300 0.017 0.000 1.363 788 I CB -0.329 37.660 38.000 -0.018 0.000 1.051 788 I HN 0.528 nan 8.210 nan 0.000 0.413 789 A N 0.853 123.674 122.820 0.003 0.000 1.902 789 A HA -0.262 4.064 4.320 0.010 0.000 0.217 789 A C 2.430 179.995 177.584 -0.031 0.000 1.181 789 A CA 1.943 53.976 52.037 -0.006 0.000 0.623 789 A CB -0.586 18.409 19.000 -0.009 0.000 0.818 789 A HN 0.382 nan 8.150 nan 0.000 0.443 790 K N -1.379 118.971 120.400 -0.083 0.000 2.044 790 K HA -0.206 4.120 4.320 0.010 0.000 0.210 790 K C 1.310 177.730 176.600 -0.300 0.000 1.049 790 K CA 2.041 58.186 56.287 -0.237 0.000 0.927 790 K CB -0.324 31.939 32.500 -0.395 0.000 0.713 790 K HN 0.603 nan 8.250 nan 0.000 0.443 791 Y N 0.356 120.646 120.300 -0.017 0.000 2.466 791 Y HA 0.100 4.657 4.550 0.011 0.000 0.272 791 Y C 0.140 176.035 175.900 -0.008 0.000 1.169 791 Y CA -0.474 57.616 58.100 -0.016 0.000 1.285 791 Y CB 0.383 38.819 38.460 -0.040 0.000 1.078 791 Y HN 0.031 nan 8.280 nan 0.000 0.523 792 D N 0.972 121.424 120.400 0.088 0.000 2.316 792 D HA 0.218 4.864 4.640 0.010 0.000 0.245 792 D C -0.929 175.406 176.300 0.058 0.000 1.171 792 D CA 0.113 54.150 54.000 0.061 0.000 0.856 792 D CB 1.163 41.980 40.800 0.029 0.000 1.090 792 D HN -0.155 nan 8.370 nan 0.000 0.476 793 V N 3.696 123.665 119.914 0.092 0.000 2.289 793 V HA 0.415 4.542 4.120 0.010 0.000 0.272 793 V C 1.097 177.281 176.094 0.151 0.000 1.026 793 V CA -0.418 61.942 62.300 0.099 0.000 0.807 793 V CB 0.968 32.850 31.823 0.098 0.000 1.044 793 V HN 0.826 nan 8.190 nan 0.000 0.443 794 G N 3.314 112.181 108.800 0.113 0.000 2.305 794 G HA2 0.036 4.002 3.960 0.010 0.000 0.287 794 G HA3 0.036 4.002 3.960 0.010 0.000 0.287 794 G C 1.148 176.143 174.900 0.157 0.000 1.036 794 G CA 0.662 45.846 45.100 0.140 0.000 0.887 794 G HN 2.198 nan 8.290 nan 0.000 0.505 795 G N -2.728 106.083 108.800 0.017 0.000 2.179 795 G HA2 -0.143 3.823 3.960 0.010 0.000 0.260 795 G HA3 -0.143 3.823 3.960 0.010 0.000 0.260 795 G C 0.214 174.848 174.900 -0.443 0.000 0.977 795 G CA 0.643 45.619 45.100 -0.206 0.000 0.641 795 G HN 1.331 nan 8.290 nan 0.000 0.533 796 F N 0.283 120.240 119.950 0.012 0.000 2.577 796 F HA 0.608 5.142 4.527 0.010 0.000 0.318 796 F C -2.216 173.596 175.800 0.019 0.000 1.065 796 F CA -2.665 55.341 58.000 0.010 0.000 0.929 796 F CB 1.975 40.979 39.000 0.007 0.000 1.237 796 F HN -0.232 nan 8.300 nan 0.000 0.468 797 P HA 0.134 nan 4.420 nan 0.000 0.267 797 P C 0.025 177.412 177.300 0.145 0.000 1.209 797 P CA 0.073 63.251 63.100 0.129 0.000 0.763 797 P CB 0.351 32.099 31.700 0.081 0.000 0.816 798 G N 4.662 113.562 108.800 0.165 0.000 2.588 798 G HA2 0.366 4.332 3.960 0.010 0.000 0.278 798 G HA3 0.366 4.332 3.960 0.010 0.000 0.278 798 G C -2.461 172.540 174.900 0.168 0.000 1.307 798 G CA -1.356 43.837 45.100 0.155 0.000 1.016 798 G HN 0.297 nan 8.290 nan 0.000 0.503 799 P HA 0.182 nan 4.420 nan 0.000 0.265 799 P C -0.202 177.220 177.300 0.203 0.000 1.193 799 P CA 0.305 63.483 63.100 0.130 0.000 0.765 799 P CB 0.448 32.205 31.700 0.095 0.000 0.823 800 K N -1.196 119.284 120.400 0.134 0.000 3.281 800 K HA -0.187 4.139 4.320 0.010 0.000 0.295 800 K C 0.031 176.602 176.600 -0.048 0.000 1.233 800 K CA 0.202 56.554 56.287 0.108 0.000 0.866 800 K CB -2.292 30.319 32.500 0.184 0.000 1.265 800 K HN 0.494 nan 8.250 nan 0.000 0.482 801 C N 2.094 121.339 119.300 -0.092 0.000 2.638 801 C HA 0.179 4.645 4.460 0.010 0.000 0.410 801 C C -1.518 173.241 174.990 -0.384 0.000 1.404 801 C CA -1.640 57.135 59.018 -0.404 0.000 1.651 801 C CB -0.532 27.132 27.740 -0.126 0.000 2.495 801 C HN 0.218 nan 8.230 nan 0.000 0.606 802 P HA 0.050 nan 4.420 nan 0.000 0.268 802 P C 0.538 177.725 177.300 -0.188 0.000 1.208 802 P CA -0.001 62.914 63.100 -0.308 0.000 0.777 802 P CB 0.246 31.692 31.700 -0.425 0.000 0.875 803 F N 2.590 122.478 119.950 -0.103 0.000 2.095 803 F HA -0.283 4.251 4.527 0.011 0.000 0.298 803 F C 2.463 178.242 175.800 -0.034 0.000 1.104 803 F CA 1.975 59.954 58.000 -0.035 0.000 1.232 803 F CB -0.385 38.635 39.000 0.032 0.000 0.987 803 F HN 0.492 nan 8.300 nan 0.000 0.475 804 H N -0.714 118.396 119.070 0.067 0.000 2.423 804 H HA -0.088 4.474 4.556 0.010 0.000 0.297 804 H C 2.171 177.434 175.328 -0.109 0.000 1.075 804 H CA 1.589 57.620 56.048 -0.029 0.000 1.342 804 H CB -0.913 28.850 29.762 0.001 0.000 1.395 804 H HN 0.259 nan 8.280 nan 0.000 0.530 805 I N 1.480 121.686 120.570 -0.606 0.000 2.353 805 I HA -0.131 4.046 4.170 0.010 0.000 0.248 805 I C 2.856 178.829 176.117 -0.240 0.000 1.119 805 I CA 0.674 61.731 61.300 -0.406 0.000 1.417 805 I CB -0.903 36.821 38.000 -0.461 0.000 1.078 805 I HN 0.218 nan 8.210 nan 0.000 0.421 806 R N 1.302 121.643 120.500 -0.264 0.000 2.091 806 R HA -0.170 4.177 4.340 0.010 0.000 0.238 806 R C 2.349 178.527 176.300 -0.203 0.000 1.136 806 R CA 1.886 57.859 56.100 -0.212 0.000 0.959 806 R CB -0.519 29.629 30.300 -0.253 0.000 0.856 806 R HN 0.375 nan 8.270 nan 0.000 0.437 807 G N 0.903 109.549 108.800 -0.255 0.000 2.422 807 G HA2 -0.232 3.735 3.960 0.010 0.000 0.218 807 G HA3 -0.232 3.735 3.960 0.010 0.000 0.218 807 G C 1.468 176.337 174.900 -0.052 0.000 1.146 807 G CA 0.902 45.899 45.100 -0.171 0.000 0.769 807 G HN 0.306 nan 8.290 nan 0.000 0.547 808 I N 0.309 120.847 120.570 -0.052 0.000 2.252 808 I HA -0.098 4.078 4.170 0.010 0.000 0.245 808 I C 2.644 178.793 176.117 0.053 0.000 1.102 808 I CA 0.631 61.943 61.300 0.019 0.000 1.385 808 I CB -0.132 37.855 38.000 -0.022 0.000 1.064 808 I HN 0.123 nan 8.210 nan 0.000 0.414 809 L N -0.221 120.987 121.223 -0.026 0.000 2.093 809 L HA -0.179 4.167 4.340 0.010 0.000 0.208 809 L C 2.588 179.409 176.870 -0.083 0.000 1.085 809 L CA 1.336 56.139 54.840 -0.061 0.000 0.755 809 L CB -1.027 40.979 42.059 -0.088 0.000 0.904 809 L HN 0.248 nan 8.230 nan 0.000 0.435 810 T N -1.040 113.480 114.554 -0.056 0.000 2.684 810 T HA -0.275 4.081 4.350 0.010 0.000 0.267 810 T C 1.720 176.436 174.700 0.027 0.000 1.036 810 T CA 1.676 63.757 62.100 -0.033 0.000 1.148 810 T CB -0.451 68.394 68.868 -0.040 0.000 0.863 810 T HN 0.297 nan 8.240 nan 0.000 0.436 811 Y N 2.863 123.123 120.300 -0.066 0.000 2.114 811 Y HA -0.240 4.316 4.550 0.009 0.000 0.282 811 Y C 2.223 178.118 175.900 -0.010 0.000 1.165 811 Y CA 1.527 59.611 58.100 -0.027 0.000 1.148 811 Y CB -0.599 37.869 38.460 0.014 0.000 0.972 811 Y HN 0.114 nan 8.280 nan 0.000 0.504 812 N N 0.247 118.942 118.700 -0.008 0.000 2.149 812 N HA -0.159 4.587 4.740 0.010 0.000 0.188 812 N C 1.863 177.282 175.510 -0.151 0.000 1.019 812 N CA 1.708 54.700 53.050 -0.097 0.000 0.857 812 N CB -0.369 38.105 38.487 -0.021 0.000 0.997 812 N HN 0.440 nan 8.380 nan 0.000 0.426 813 R N 0.310 120.722 120.500 -0.146 0.000 2.092 813 R HA 0.094 4.440 4.340 0.010 0.000 0.231 813 R C 2.012 178.247 176.300 -0.109 0.000 1.119 813 R CA 1.142 57.151 56.100 -0.152 0.000 0.970 813 R CB -0.254 29.919 30.300 -0.210 0.000 0.864 813 R HN 0.185 nan 8.270 nan 0.000 0.440 814 A N 1.584 124.354 122.820 -0.084 0.000 2.014 814 A HA -0.067 4.259 4.320 0.010 0.000 0.218 814 A C 1.974 179.482 177.584 -0.127 0.000 1.163 814 A CA 0.967 52.986 52.037 -0.029 0.000 0.652 814 A CB -0.337 18.770 19.000 0.177 0.000 0.808 814 A HN 0.458 nan 8.150 nan 0.000 0.449 815 I N -3.917 116.499 120.570 -0.258 0.000 3.976 815 I HA 0.313 4.489 4.170 0.010 0.000 0.337 815 I C 0.482 176.506 176.117 -0.154 0.000 1.359 815 I CA -0.455 60.695 61.300 -0.251 0.000 1.098 815 I CB 0.005 37.740 38.000 -0.441 0.000 1.027 815 I HN -0.039 nan 8.210 nan 0.000 0.394 816 K N 2.350 122.674 120.400 -0.125 0.000 2.489 816 K HA 0.190 4.516 4.320 0.010 0.000 0.278 816 K C 1.278 177.845 176.600 -0.055 0.000 1.000 816 K CA 1.316 57.554 56.287 -0.082 0.000 1.012 816 K CB 0.171 32.627 32.500 -0.074 0.000 0.903 816 K HN 0.550 nan 8.250 nan 0.000 0.485 817 G N 2.659 111.438 108.800 -0.036 0.000 2.155 817 G HA2 -0.269 3.697 3.960 0.010 0.000 0.257 817 G HA3 -0.269 3.697 3.960 0.010 0.000 0.257 817 G C -0.193 174.696 174.900 -0.017 0.000 0.983 817 G CA 0.216 45.304 45.100 -0.021 0.000 0.676 817 G HN 0.712 nan 8.290 nan 0.000 0.528 818 N N 0.044 118.730 118.700 -0.024 0.000 2.558 818 N HA 0.405 5.151 4.740 0.010 0.000 0.242 818 N C 1.271 176.782 175.510 0.001 0.000 0.979 818 N CA -0.475 52.566 53.050 -0.016 0.000 0.931 818 N CB 0.924 39.393 38.487 -0.029 0.000 1.122 818 N HN 0.170 nan 8.380 nan 0.000 0.508 819 I N 1.609 122.186 120.570 0.013 0.000 2.614 819 I HA -0.127 4.050 4.170 0.010 0.000 0.258 819 I C 1.308 177.447 176.117 0.037 0.000 1.189 819 I CA 1.017 62.335 61.300 0.029 0.000 1.462 819 I CB 0.340 38.358 38.000 0.031 0.000 1.092 819 I HN 0.445 nan 8.210 nan 0.000 0.442 820 D N 0.775 121.192 120.400 0.029 0.000 2.360 820 D HA 0.152 4.798 4.640 0.010 0.000 0.210 820 D C 0.706 177.041 176.300 0.058 0.000 1.047 820 D CA 0.131 54.153 54.000 0.036 0.000 0.854 820 D CB 0.338 41.151 40.800 0.021 0.000 0.936 820 D HN 0.266 nan 8.370 nan 0.000 0.514 821 A N 1.777 124.628 122.820 0.053 0.000 2.477 821 A HA 0.365 4.691 4.320 0.010 0.000 0.246 821 A C -2.272 175.389 177.584 0.129 0.000 1.078 821 A CA -0.827 51.256 52.037 0.075 0.000 0.770 821 A CB 0.076 19.085 19.000 0.015 0.000 1.011 821 A HN -0.023 nan 8.150 nan 0.000 0.494 822 P HA 0.119 nan 4.420 nan 0.000 0.267 822 P C -0.575 176.885 177.300 0.267 0.000 1.205 822 P CA 0.206 63.432 63.100 0.210 0.000 0.765 822 P CB 0.473 32.309 31.700 0.226 0.000 0.828 823 Q N 1.543 121.446 119.800 0.172 0.000 2.230 823 Q HA 0.306 4.652 4.340 0.010 0.000 0.253 823 Q C -0.299 175.755 176.000 0.090 0.000 0.919 823 Q CA -0.861 55.039 55.803 0.162 0.000 0.908 823 Q CB 1.394 30.183 28.738 0.085 0.000 1.245 823 Q HN 0.186 nan 8.270 nan 0.000 0.437 824 V N 2.502 122.475 119.914 0.098 0.000 2.508 824 V HA 0.071 4.198 4.120 0.010 0.000 0.281 824 V C 0.144 176.212 176.094 -0.044 0.000 1.041 824 V CA -0.242 62.049 62.300 -0.014 0.000 1.016 824 V CB 0.997 32.810 31.823 -0.016 0.000 0.984 824 V HN 0.442 nan 8.190 nan 0.000 0.478 825 V N 4.756 124.614 119.914 -0.094 0.000 2.406 825 V HA 0.214 4.340 4.120 0.010 0.000 0.272 825 V C 0.382 176.415 176.094 -0.103 0.000 1.043 825 V CA -0.706 61.525 62.300 -0.115 0.000 0.915 825 V CB 1.310 33.032 31.823 -0.167 0.000 0.988 825 V HN 1.000 nan 8.190 nan 0.000 0.466 826 E N 4.257 124.405 120.200 -0.086 0.000 2.558 826 E HA 0.272 4.628 4.350 0.010 0.000 0.255 826 E C 1.239 177.776 176.600 -0.104 0.000 0.968 826 E CA 1.387 57.732 56.400 -0.092 0.000 0.939 826 E CB 0.079 29.737 29.700 -0.070 0.000 0.921 826 E HN 1.012 nan 8.360 nan 0.000 0.477 827 G N 3.436 112.156 108.800 -0.134 0.000 2.217 827 G HA2 -0.293 3.673 3.960 0.010 0.000 0.246 827 G HA3 -0.293 3.673 3.960 0.010 0.000 0.246 827 G C 0.311 175.148 174.900 -0.105 0.000 0.990 827 G CA 0.335 45.362 45.100 -0.122 0.000 0.627 827 G HN 0.572 nan 8.290 nan 0.000 0.522 828 E N -0.026 120.107 120.200 -0.112 0.000 2.700 828 E HA 0.638 4.995 4.350 0.010 0.000 0.253 828 E C 0.121 176.640 176.600 -0.136 0.000 1.175 828 E CA -0.755 55.575 56.400 -0.116 0.000 1.010 828 E CB 0.782 30.409 29.700 -0.122 0.000 1.284 828 E HN 0.225 nan 8.360 nan 0.000 0.557 829 K N 0.623 120.920 120.400 -0.171 0.000 2.156 829 K HA 0.450 4.776 4.320 0.010 0.000 0.254 829 K C -0.899 175.500 176.600 -0.334 0.000 0.950 829 K CA -0.668 55.478 56.287 -0.234 0.000 0.849 829 K CB 1.791 34.139 32.500 -0.254 0.000 1.100 829 K HN 0.268 nan 8.250 nan 0.000 0.434 830 V N -0.925 118.778 119.914 -0.351 0.000 2.823 830 V HA 0.461 4.587 4.120 0.010 0.000 0.312 830 V C -1.035 174.734 176.094 -0.542 0.000 1.072 830 V CA -1.118 60.909 62.300 -0.456 0.000 0.937 830 V CB 0.868 32.519 31.823 -0.286 0.000 1.013 830 V HN 0.521 nan 8.190 nan 0.000 0.430 831 Y N 1.868 121.710 120.300 -0.764 0.000 2.336 831 Y HA 0.648 5.205 4.550 0.011 0.000 0.331 831 Y C 0.458 175.984 175.900 -0.624 0.000 1.211 831 Y CA -0.499 57.081 58.100 -0.867 0.000 1.346 831 Y CB 1.400 38.888 38.460 -1.621 0.000 1.271 831 Y HN 0.571 nan 8.280 nan 0.000 0.538 832 V N 5.041 124.898 119.914 -0.095 0.000 2.638 832 V HA 0.505 4.632 4.120 0.010 0.000 0.306 832 V C -0.560 175.646 176.094 0.187 0.000 1.052 832 V CA -1.049 61.298 62.300 0.078 0.000 0.885 832 V CB 1.980 33.892 31.823 0.148 0.000 0.999 832 V HN 0.541 nan 8.190 nan 0.000 0.424 833 L N 6.148 127.526 121.223 0.257 0.000 2.408 833 L HA 0.611 4.958 4.340 0.010 0.000 0.268 833 L C -2.559 174.431 176.870 0.201 0.000 0.986 833 L CA -1.748 53.233 54.840 0.235 0.000 0.820 833 L CB 3.489 45.706 42.059 0.262 0.000 1.303 833 L HN 0.426 nan 8.230 nan 0.000 0.411 834 P HA 0.289 nan 4.420 nan 0.000 0.278 834 P C -1.334 176.056 177.300 0.151 0.000 1.238 834 P CA -0.475 62.768 63.100 0.239 0.000 0.794 834 P CB 1.595 33.446 31.700 0.251 0.000 0.955 835 L N 2.685 124.000 121.223 0.153 0.000 2.365 835 L HA 0.443 4.789 4.340 0.010 0.000 0.273 835 L C 1.010 178.006 176.870 0.211 0.000 1.000 835 L CA -0.789 54.156 54.840 0.174 0.000 0.819 835 L CB 1.149 43.290 42.059 0.137 0.000 1.284 835 L HN 0.329 nan 8.230 nan 0.000 0.418 836 R N 0.776 121.456 120.500 0.301 0.000 2.694 836 R HA 0.080 4.426 4.340 0.010 0.000 0.268 836 R C -0.157 176.315 176.300 0.287 0.000 1.061 836 R CA -0.539 55.750 56.100 0.316 0.000 1.133 836 R CB 0.453 30.987 30.300 0.389 0.000 1.020 836 R HN 0.525 nan 8.270 nan 0.000 0.475 837 E N 0.394 120.726 120.200 0.220 0.000 2.608 837 E HA -0.052 4.304 4.350 0.010 0.000 0.259 837 E C 0.647 177.345 176.600 0.163 0.000 0.951 837 E CA 1.660 58.154 56.400 0.157 0.000 0.945 837 E CB 0.163 29.945 29.700 0.137 0.000 0.916 837 E HN 0.718 nan 8.360 nan 0.000 0.477 838 G N 3.425 112.239 108.800 0.023 0.000 2.137 838 G HA2 -0.345 3.621 3.960 0.010 0.000 0.237 838 G HA3 -0.345 3.621 3.960 0.010 0.000 0.237 838 G C -0.119 174.495 174.900 -0.478 0.000 1.002 838 G CA 0.236 45.290 45.100 -0.076 0.000 0.702 838 G HN 0.877 nan 8.290 nan 0.000 0.515 839 N N 0.051 118.364 118.700 -0.646 0.000 2.444 839 N HA 0.564 5.310 4.740 0.010 0.000 0.255 839 N C -0.637 174.410 175.510 -0.772 0.000 1.255 839 N CA -1.117 51.167 53.050 -1.277 0.000 0.933 839 N CB 0.989 39.085 38.487 -0.652 0.000 1.143 839 N HN 0.061 nan 8.380 nan 0.000 0.453 840 P HA -0.029 nan 4.420 nan 0.000 0.233 840 P C 0.139 177.131 177.300 -0.512 0.000 1.167 840 P CA 0.807 63.551 63.100 -0.592 0.000 0.770 840 P CB -0.047 31.278 31.700 -0.626 0.000 0.837 841 F N 0.306 120.108 119.950 -0.246 0.000 2.710 841 F HA 0.266 4.799 4.527 0.009 0.000 0.298 841 F C 1.960 177.699 175.800 -0.101 0.000 1.137 841 F CA 1.002 58.917 58.000 -0.142 0.000 1.444 841 F CB -0.935 38.001 39.000 -0.107 0.000 1.111 841 F HN 0.045 nan 8.300 nan 0.000 0.580 842 G N 0.266 109.079 108.800 0.021 0.000 2.153 842 G HA2 -0.256 3.710 3.960 0.010 0.000 0.252 842 G HA3 -0.256 3.710 3.960 0.010 0.000 0.252 842 G C -0.276 174.667 174.900 0.072 0.000 0.994 842 G CA 0.456 45.577 45.100 0.035 0.000 0.698 842 G HN 0.380 nan 8.290 nan 0.000 0.521 843 D N -1.594 118.844 120.400 0.064 0.000 2.665 843 D HA 0.318 4.964 4.640 0.010 0.000 0.287 843 D C 1.212 177.531 176.300 0.032 0.000 1.266 843 D CA -0.144 53.883 54.000 0.045 0.000 0.830 843 D CB 0.493 41.311 40.800 0.029 0.000 1.356 843 D HN 0.136 nan 8.370 nan 0.000 0.437 844 K N -0.841 119.569 120.400 0.017 0.000 2.487 844 K HA 0.250 4.576 4.320 0.010 0.000 0.192 844 K C 0.427 177.039 176.600 0.021 0.000 1.027 844 K CA 0.068 56.389 56.287 0.057 0.000 1.054 844 K CB -0.490 32.081 32.500 0.118 0.000 0.824 844 K HN 0.425 nan 8.250 nan 0.000 0.510 845 C N -1.423 117.811 119.300 -0.111 0.000 3.307 845 C HA 0.737 5.203 4.460 0.010 0.000 0.333 845 C C -1.157 173.738 174.990 -0.159 0.000 1.291 845 C CA -1.411 57.508 59.018 -0.166 0.000 1.273 845 C CB 0.674 28.084 27.740 -0.549 0.000 1.580 845 C HN 0.385 nan 8.230 nan 0.000 0.481 846 I N 1.317 121.833 120.570 -0.090 0.000 2.769 846 I HA 0.790 4.966 4.170 0.010 0.000 0.298 846 I C -0.366 175.814 176.117 0.106 0.000 1.128 846 I CA -0.414 60.855 61.300 -0.052 0.000 1.031 846 I CB 2.102 39.975 38.000 -0.211 0.000 1.235 846 I HN 1.314 nan 8.210 nan 0.000 0.423 847 A N 5.579 128.469 122.820 0.117 0.000 2.414 847 A HA 0.836 5.162 4.320 0.010 0.000 0.306 847 A C -1.860 175.736 177.584 0.019 0.000 1.054 847 A CA -0.452 51.642 52.037 0.094 0.000 0.724 847 A CB 1.072 20.052 19.000 -0.034 0.000 1.267 847 A HN 0.868 nan 8.150 nan 0.000 0.418 848 W N 0.687 121.791 121.300 -0.328 0.000 3.047 848 W HA 0.739 5.404 4.660 0.009 0.000 0.341 848 W C -3.357 172.964 176.519 -0.331 0.000 1.225 848 W CA -2.694 54.292 57.345 -0.598 0.000 1.150 848 W CB 0.375 29.514 29.460 -0.535 0.000 1.470 848 W HN 0.415 nan 8.180 nan 0.000 0.578 849 P HA 0.035 nan 4.420 nan 0.000 0.264 849 P C 0.233 177.209 177.300 -0.540 0.000 1.193 849 P CA 0.430 63.340 63.100 -0.316 0.000 0.763 849 P CB 0.841 32.472 31.700 -0.115 0.000 0.810 850 S N 2.590 117.843 115.700 -0.745 0.000 2.584 850 S HA 0.376 4.852 4.470 0.010 0.000 0.270 850 S C 1.384 175.539 174.600 -0.742 0.000 1.346 850 S CA 0.293 57.738 58.200 -1.258 0.000 1.018 850 S CB -0.202 62.300 63.200 -1.163 0.000 0.899 850 S HN 0.933 nan 8.310 nan 0.000 0.542 851 G N 0.614 108.999 108.800 -0.692 0.000 2.168 851 G HA2 -0.222 3.744 3.960 0.010 0.000 0.263 851 G HA3 -0.222 3.744 3.960 0.010 0.000 0.263 851 G C 0.266 175.225 174.900 0.098 0.000 0.977 851 G CA 0.778 45.775 45.100 -0.171 0.000 0.659 851 G HN 1.884 nan 8.290 nan 0.000 0.533 852 T N -2.461 112.206 114.554 0.188 0.000 2.916 852 T HA 0.669 5.026 4.350 0.010 0.000 0.292 852 T C -0.417 174.592 174.700 0.514 0.000 1.055 852 T CA -0.758 61.514 62.100 0.287 0.000 1.009 852 T CB 2.592 71.602 68.868 0.237 0.000 1.118 852 T HN 0.097 nan 8.240 nan 0.000 0.497 853 E N 1.277 121.694 120.200 0.361 0.000 2.360 853 E HA 0.201 4.558 4.350 0.010 0.000 0.269 853 E C 0.043 176.814 176.600 0.286 0.000 1.022 853 E CA -0.258 56.355 56.400 0.354 0.000 0.887 853 E CB 1.318 31.143 29.700 0.209 0.000 0.990 853 E HN 0.664 nan 8.360 nan 0.000 0.426 854 I N 1.912 122.474 120.570 -0.014 0.000 2.648 854 I HA -0.088 4.088 4.170 0.010 0.000 0.284 854 I C 0.935 176.998 176.117 -0.089 0.000 1.153 854 I CA 0.388 61.436 61.300 -0.420 0.000 1.426 854 I CB 0.799 38.106 38.000 -1.156 0.000 1.381 854 I HN 0.369 nan 8.210 nan 0.000 0.571 855 T N 4.729 119.305 114.554 0.037 0.000 2.939 855 T HA -0.097 4.259 4.350 0.010 0.000 0.312 855 T C 0.975 175.681 174.700 0.010 0.000 1.064 855 T CA 0.049 62.188 62.100 0.066 0.000 1.136 855 T CB 0.214 69.151 68.868 0.115 0.000 1.035 855 T HN 0.684 nan 8.240 nan 0.000 0.538 856 D N 3.488 123.896 120.400 0.014 0.000 2.351 856 D HA -0.045 4.601 4.640 0.010 0.000 0.216 856 D C 2.030 178.330 176.300 -0.001 0.000 0.968 856 D CA 0.605 54.602 54.000 -0.004 0.000 0.899 856 D CB -0.007 40.795 40.800 0.005 0.000 0.907 856 D HN 0.571 nan 8.370 nan 0.000 0.514 857 L N 0.244 121.473 121.223 0.010 0.000 2.079 857 L HA -0.152 4.194 4.340 0.010 0.000 0.210 857 L C 2.103 178.984 176.870 0.019 0.000 1.081 857 L CA 1.151 55.995 54.840 0.007 0.000 0.752 857 L CB -0.211 41.848 42.059 0.001 0.000 0.896 857 L HN 0.169 nan 8.230 nan 0.000 0.433 858 I N -6.460 114.133 120.570 0.039 0.000 4.442 858 I HA 0.097 4.273 4.170 0.010 0.000 0.331 858 I C 1.907 178.069 176.117 0.076 0.000 1.364 858 I CA -0.158 61.214 61.300 0.120 0.000 1.207 858 I CB 0.026 38.180 38.000 0.256 0.000 1.298 858 I HN -0.069 nan 8.210 nan 0.000 0.463 859 K N 2.099 122.471 120.400 -0.047 0.000 2.032 859 K HA -0.218 4.108 4.320 0.010 0.000 0.209 859 K C 1.377 177.896 176.600 -0.135 0.000 1.048 859 K CA 2.607 58.787 56.287 -0.177 0.000 0.927 859 K CB -0.042 32.337 32.500 -0.201 0.000 0.712 859 K HN 0.306 nan 8.250 nan 0.000 0.441 860 D N 1.013 121.382 120.400 -0.053 0.000 2.123 860 D HA -0.160 4.486 4.640 0.010 0.000 0.196 860 D C 1.616 177.964 176.300 0.080 0.000 0.992 860 D CA 1.263 55.253 54.000 -0.017 0.000 0.833 860 D CB -0.391 40.399 40.800 -0.017 0.000 0.954 860 D HN 0.296 nan 8.370 nan 0.000 0.455 861 D N -0.049 120.448 120.400 0.161 0.000 2.144 861 D HA -0.087 4.559 4.640 0.010 0.000 0.199 861 D C 2.303 178.930 176.300 0.546 0.000 0.984 861 D CA 0.310 54.525 54.000 0.359 0.000 0.834 861 D CB -0.265 40.676 40.800 0.235 0.000 0.955 861 D HN 0.069 nan 8.370 nan 0.000 0.465 862 V N 1.017 121.132 119.914 0.335 0.000 2.295 862 V HA -0.216 3.910 4.120 0.010 0.000 0.246 862 V C 2.649 178.773 176.094 0.049 0.000 1.049 862 V CA 1.172 63.533 62.300 0.101 0.000 1.024 862 V CB -0.476 31.208 31.823 -0.231 0.000 0.648 862 V HN 0.197 nan 8.190 nan 0.000 0.447 863 L N -0.584 120.605 121.223 -0.057 0.000 2.079 863 L HA -0.229 4.117 4.340 0.010 0.000 0.210 863 L C 2.610 179.509 176.870 0.047 0.000 1.081 863 L CA 1.920 56.716 54.840 -0.072 0.000 0.752 863 L CB -0.782 41.195 42.059 -0.137 0.000 0.896 863 L HN 0.493 nan 8.230 nan 0.000 0.433 864 H N -1.331 117.741 119.070 0.004 0.000 2.462 864 H HA -0.157 4.405 4.556 0.010 0.000 0.292 864 H C 1.292 176.482 175.328 -0.230 0.000 1.049 864 H CA 1.409 57.386 56.048 -0.118 0.000 1.334 864 H CB 0.195 29.860 29.762 -0.160 0.000 1.404 864 H HN 0.373 nan 8.280 nan 0.000 0.544 865 W N 0.484 121.838 121.300 0.091 0.000 3.127 865 W HA 0.273 4.939 4.660 0.011 0.000 0.344 865 W C 0.442 176.974 176.519 0.022 0.000 1.151 865 W CA -0.581 56.807 57.345 0.073 0.000 1.765 865 W CB 0.281 29.864 29.460 0.205 0.000 1.085 865 W HN -0.100 nan 8.180 nan 0.000 0.596 866 M N 1.833 121.498 119.600 0.107 0.000 2.286 866 M HA -0.105 4.381 4.480 0.010 0.000 0.365 866 M C 0.229 176.477 176.300 -0.086 0.000 1.443 866 M CA 0.971 56.225 55.300 -0.078 0.000 0.951 866 M CB 0.199 32.577 32.600 -0.369 0.000 1.961 866 M HN -0.182 nan 8.290 nan 0.000 0.468 867 D N 3.507 123.900 120.400 -0.011 0.000 2.468 867 D HA 0.074 4.721 4.640 0.010 0.000 0.218 867 D C 0.221 176.564 176.300 0.072 0.000 1.155 867 D CA 0.070 54.117 54.000 0.078 0.000 0.924 867 D CB 0.244 41.127 40.800 0.138 0.000 1.029 867 D HN 0.446 nan 8.370 nan 0.000 0.515 868 Y N 1.159 121.535 120.300 0.126 0.000 2.224 868 Y HA -0.183 4.373 4.550 0.011 0.000 0.289 868 Y C 2.522 178.635 175.900 0.355 0.000 1.146 868 Y CA 1.092 59.328 58.100 0.226 0.000 1.182 868 Y CB -0.168 38.301 38.460 0.016 0.000 0.983 868 Y HN 0.295 nan 8.280 nan 0.000 0.524 869 T N -0.699 114.087 114.554 0.386 0.000 2.708 869 T HA -0.170 4.186 4.350 0.010 0.000 0.266 869 T C 2.128 176.934 174.700 0.176 0.000 1.037 869 T CA 1.612 63.874 62.100 0.269 0.000 1.146 869 T CB -0.750 68.231 68.868 0.189 0.000 0.865 869 T HN 0.093 nan 8.240 nan 0.000 0.435 870 V N 1.412 121.419 119.914 0.154 0.000 2.343 870 V HA -0.096 4.031 4.120 0.010 0.000 0.247 870 V C 2.411 178.560 176.094 0.092 0.000 1.051 870 V CA 1.298 63.661 62.300 0.106 0.000 1.036 870 V CB -0.648 31.240 31.823 0.109 0.000 0.654 870 V HN 0.379 nan 8.190 nan 0.000 0.451 871 L N -0.736 120.565 121.223 0.129 0.000 1.990 871 L HA -0.242 4.104 4.340 0.010 0.000 0.213 871 L C 2.393 179.322 176.870 0.097 0.000 1.072 871 L CA 2.000 56.914 54.840 0.124 0.000 0.755 871 L CB -0.250 41.909 42.059 0.167 0.000 0.889 871 L HN 0.334 nan 8.230 nan 0.000 0.432 872 L N -0.403 120.857 121.223 0.061 0.000 2.017 872 L HA -0.233 4.113 4.340 0.010 0.000 0.208 872 L C 2.567 179.448 176.870 0.019 0.000 1.073 872 L CA 1.838 56.605 54.840 -0.122 0.000 0.745 872 L CB -0.718 40.999 42.059 -0.569 0.000 0.894 872 L HN 0.297 nan 8.230 nan 0.000 0.432 873 E N -0.064 120.153 120.200 0.028 0.000 2.077 873 E HA -0.253 4.103 4.350 0.010 0.000 0.193 873 E C 2.197 178.793 176.600 -0.006 0.000 0.989 873 E CA 1.438 57.854 56.400 0.026 0.000 0.800 873 E CB 0.076 29.797 29.700 0.034 0.000 0.746 873 E HN 0.528 nan 8.360 nan 0.000 0.452 874 K N -0.675 119.723 120.400 -0.004 0.000 2.044 874 K HA -0.055 4.271 4.320 0.010 0.000 0.204 874 K C 2.211 178.790 176.600 -0.035 0.000 1.049 874 K CA 1.706 57.969 56.287 -0.039 0.000 0.945 874 K CB -0.019 32.445 32.500 -0.060 0.000 0.724 874 K HN 0.187 nan 8.250 nan 0.000 0.440 875 T N -2.271 112.294 114.554 0.018 0.000 3.037 875 T HA 0.050 4.406 4.350 0.010 0.000 0.252 875 T C 1.445 176.195 174.700 0.084 0.000 1.073 875 T CA 0.108 62.233 62.100 0.042 0.000 1.091 875 T CB -0.001 68.916 68.868 0.082 0.000 0.935 875 T HN 0.089 nan 8.240 nan 0.000 0.488 876 F N 0.781 120.685 119.950 -0.077 0.000 2.539 876 F HA 0.494 5.027 4.527 0.010 0.000 0.277 876 F C 1.739 177.439 175.800 -0.165 0.000 0.925 876 F CA -0.448 57.495 58.000 -0.096 0.000 1.193 876 F CB -0.031 38.963 39.000 -0.010 0.000 1.128 876 F HN -0.051 nan 8.300 nan 0.000 0.740 877 I N 0.788 121.275 120.570 -0.139 0.000 2.179 877 I HA -0.273 3.903 4.170 0.010 0.000 0.242 877 I C 2.413 178.282 176.117 -0.413 0.000 1.088 877 I CA 1.522 62.635 61.300 -0.312 0.000 1.357 877 I CB -0.466 37.512 38.000 -0.038 0.000 1.051 877 I HN 0.134 nan 8.210 nan 0.000 0.409 878 K N 0.787 121.030 120.400 -0.262 0.000 2.009 878 K HA -0.182 4.144 4.320 0.010 0.000 0.210 878 K C -0.529 175.847 176.600 -0.373 0.000 1.049 878 K CA 1.863 58.000 56.287 -0.249 0.000 0.929 878 K CB -0.844 31.564 32.500 -0.154 0.000 0.714 878 K HN 0.157 nan 8.250 nan 0.000 0.440 879 P HA -0.165 nan 4.420 nan 0.000 0.216 879 P C 1.218 177.760 177.300 -1.264 0.000 1.153 879 P CA 0.872 63.542 63.100 -0.717 0.000 0.848 879 P CB 0.042 31.384 31.700 -0.595 0.000 0.787 880 L N 0.499 121.051 121.223 -1.118 0.000 2.046 880 L HA -0.180 4.166 4.340 0.010 0.000 0.208 880 L C 2.290 178.723 176.870 -0.729 0.000 1.077 880 L CA 2.014 56.226 54.840 -1.046 0.000 0.747 880 L CB -1.425 40.003 42.059 -1.050 0.000 0.896 880 L HN -0.125 nan 8.230 nan 0.000 0.432 881 E N -0.434 119.390 120.200 -0.628 0.000 2.130 881 E HA -0.161 4.195 4.350 0.010 0.000 0.196 881 E C 2.107 178.575 176.600 -0.221 0.000 0.998 881 E CA 1.640 57.853 56.400 -0.312 0.000 0.806 881 E CB -0.861 28.717 29.700 -0.202 0.000 0.738 881 E HN 0.496 nan 8.360 nan 0.000 0.459 882 G N -0.599 108.024 108.800 -0.296 0.000 2.404 882 G HA2 -0.217 3.749 3.960 0.010 0.000 0.215 882 G HA3 -0.217 3.749 3.960 0.010 0.000 0.215 882 G C 1.222 176.116 174.900 -0.009 0.000 1.174 882 G CA 0.882 45.897 45.100 -0.143 0.000 0.780 882 G HN 0.262 nan 8.290 nan 0.000 0.537 883 F N 2.074 121.912 119.950 -0.187 0.000 2.102 883 F HA -0.078 4.455 4.527 0.010 0.000 0.298 883 F C 3.179 178.670 175.800 -0.514 0.000 1.105 883 F CA 1.422 59.196 58.000 -0.376 0.000 1.239 883 F CB -1.486 37.271 39.000 -0.404 0.000 0.991 883 F HN 0.272 nan 8.300 nan 0.000 0.474 884 T N -3.213 111.253 114.554 -0.147 0.000 2.857 884 T HA -0.150 4.206 4.350 0.010 0.000 0.266 884 T C 2.223 176.860 174.700 -0.104 0.000 1.048 884 T CA 1.343 63.358 62.100 -0.141 0.000 1.139 884 T CB -0.896 67.954 68.868 -0.031 0.000 0.874 884 T HN 0.224 nan 8.240 nan 0.000 0.455 885 S N 1.618 117.279 115.700 -0.066 0.000 2.368 885 S HA 0.025 4.501 4.470 0.010 0.000 0.225 885 S C 2.469 177.052 174.600 -0.028 0.000 1.030 885 S CA 1.280 59.456 58.200 -0.039 0.000 0.999 885 S CB -0.964 62.222 63.200 -0.023 0.000 0.844 885 S HN 0.729 nan 8.310 nan 0.000 0.459 886 A N 1.109 123.920 122.820 -0.015 0.000 1.902 886 A HA 0.258 4.584 4.320 0.010 0.000 0.217 886 A C 2.295 179.886 177.584 0.011 0.000 1.181 886 A CA 1.717 53.782 52.037 0.047 0.000 0.623 886 A CB -1.151 17.942 19.000 0.155 0.000 0.818 886 A HN 0.841 nan 8.150 nan 0.000 0.443 887 A N -1.285 121.469 122.820 -0.111 0.000 2.238 887 A HA 0.260 4.586 4.320 0.010 0.000 0.208 887 A C 0.729 178.266 177.584 -0.078 0.000 1.177 887 A CA 0.612 52.584 52.037 -0.108 0.000 0.804 887 A CB -0.265 18.568 19.000 -0.278 0.000 0.823 887 A HN 0.403 nan 8.150 nan 0.000 0.482 888 K N -1.343 119.016 120.400 -0.067 0.000 3.162 888 K HA -0.188 4.138 4.320 0.010 0.000 0.268 888 K C -0.580 175.984 176.600 -0.060 0.000 1.062 888 K CA 1.205 57.459 56.287 -0.056 0.000 0.769 888 K CB -2.832 29.636 32.500 -0.052 0.000 1.274 888 K HN 0.719 nan 8.250 nan 0.000 0.478 889 L N -3.256 117.925 121.223 -0.069 0.000 2.403 889 L HA 0.739 5.085 4.340 0.010 0.000 0.253 889 L C -0.764 176.066 176.870 -0.066 0.000 1.045 889 L CA -0.885 53.917 54.840 -0.063 0.000 0.845 889 L CB 1.493 43.517 42.059 -0.057 0.000 1.447 889 L HN -0.125 nan 8.230 nan 0.000 0.411 890 D N 0.018 120.371 120.400 -0.078 0.000 2.278 890 D HA 0.272 4.918 4.640 0.010 0.000 0.245 890 D C -0.188 176.033 176.300 -0.133 0.000 1.052 890 D CA -0.114 53.798 54.000 -0.147 0.000 0.834 890 D CB 1.868 42.558 40.800 -0.183 0.000 1.194 890 D HN 0.824 nan 8.370 nan 0.000 0.481 891 Y N -0.062 120.101 120.300 -0.227 0.000 2.523 891 Y HA 0.295 4.851 4.550 0.011 0.000 0.279 891 Y C 0.235 175.950 175.900 -0.310 0.000 1.139 891 Y CA -0.032 57.882 58.100 -0.311 0.000 1.296 891 Y CB 0.308 38.437 38.460 -0.552 0.000 1.045 891 Y HN 0.115 nan 8.280 nan 0.000 0.538 892 E N 1.619 121.455 120.200 -0.607 0.000 2.210 892 E HA 0.217 4.573 4.350 0.010 0.000 0.266 892 E C -1.157 175.328 176.600 -0.192 0.000 0.883 892 E CA -1.091 55.110 56.400 -0.331 0.000 0.761 892 E CB 1.763 31.211 29.700 -0.419 0.000 1.156 892 E HN 0.079 nan 8.360 nan 0.000 0.412 893 K N 3.597 123.959 120.400 -0.063 0.000 2.419 893 K HA -0.018 4.308 4.320 0.010 0.000 0.282 893 K C -0.414 176.160 176.600 -0.044 0.000 1.056 893 K CA 0.011 56.279 56.287 -0.032 0.000 1.035 893 K CB 0.208 32.720 32.500 0.020 0.000 0.921 893 K HN 0.327 nan 8.250 nan 0.000 0.472 894 K N 2.608 122.977 120.400 -0.052 0.000 2.326 894 K HA 0.271 4.598 4.320 0.010 0.000 0.275 894 K C -0.352 176.244 176.600 -0.006 0.000 1.018 894 K CA -0.663 55.599 56.287 -0.042 0.000 0.962 894 K CB 1.174 33.644 32.500 -0.049 0.000 0.953 894 K HN 0.411 nan 8.250 nan 0.000 0.475 895 A N 2.227 125.047 122.820 -0.001 0.000 2.425 895 A HA 0.379 4.705 4.320 0.010 0.000 0.249 895 A C -0.044 177.560 177.584 0.033 0.000 1.084 895 A CA -0.195 51.854 52.037 0.021 0.000 0.781 895 A CB 0.041 19.048 19.000 0.012 0.000 1.019 895 A HN 0.888 nan 8.150 nan 0.000 0.490 896 S N 1.012 116.750 115.700 0.064 0.000 2.661 896 S HA 0.548 5.024 4.470 0.010 0.000 0.285 896 S C 0.274 174.942 174.600 0.114 0.000 1.138 896 S CA -0.669 57.582 58.200 0.085 0.000 0.855 896 S CB 0.717 63.979 63.200 0.103 0.000 1.136 896 S HN 0.402 nan 8.310 nan 0.000 0.484 897 L N 0.302 121.601 121.223 0.126 0.000 2.191 897 L HA 0.142 4.489 4.340 0.010 0.000 0.212 897 L C 2.017 179.021 176.870 0.223 0.000 1.103 897 L CA 1.414 56.334 54.840 0.134 0.000 0.769 897 L CB -0.861 41.273 42.059 0.126 0.000 0.908 897 L HN 0.829 nan 8.230 nan 0.000 0.438 898 F N 0.635 120.659 119.950 0.123 0.000 2.171 898 F HA -0.147 4.386 4.527 0.010 0.000 0.300 898 F C 1.232 177.173 175.800 0.235 0.000 1.090 898 F CA 0.513 58.625 58.000 0.186 0.000 1.293 898 F CB 0.038 39.099 39.000 0.101 0.000 1.013 898 F HN 0.216 nan 8.300 nan 0.000 0.486 899 D N 2.006 122.527 120.400 0.202 0.000 2.280 899 D HA 0.269 4.916 4.640 0.010 0.000 0.243 899 D C -0.289 176.013 176.300 0.004 0.000 1.129 899 D CA -0.238 53.817 54.000 0.091 0.000 0.848 899 D CB 1.439 42.311 40.800 0.119 0.000 1.107 899 D HN 0.378 nan 8.370 nan 0.000 0.471 900 M N -0.577 118.978 119.600 -0.076 0.000 2.704 900 M HA 0.655 5.141 4.480 0.010 0.000 0.284 900 M C -1.352 174.850 176.300 -0.164 0.000 1.275 900 M CA -0.892 54.384 55.300 -0.040 0.000 0.811 900 M CB 2.089 34.687 32.600 -0.003 0.000 1.741 900 M HN 0.223 nan 8.290 nan 0.000 0.458 901 F N -0.823 119.049 119.950 -0.131 0.000 2.764 901 F HA 0.384 4.917 4.527 0.010 0.000 0.163 901 F C 0.013 175.809 175.800 -0.007 0.000 1.535 901 F CA 0.360 58.309 58.000 -0.084 0.000 1.072 901 F CB 0.267 39.178 39.000 -0.148 0.000 1.932 901 F HN 0.790 nan 8.300 nan 0.000 0.209 902 D N 0.667 121.225 120.400 0.263 0.000 2.697 902 D HA -0.242 4.404 4.640 0.010 0.000 0.238 902 D C -0.784 175.619 176.300 0.172 0.000 1.152 902 D CA 0.361 54.451 54.000 0.151 0.000 0.666 902 D CB -1.101 39.757 40.800 0.096 0.000 1.037 902 D HN 0.190 nan 8.370 nan 0.000 0.423 903 F N 0.000 119.976 119.950 0.043 0.000 2.286 903 F HA 0.000 4.533 4.527 0.010 0.000 0.279 903 F CA 0.000 58.010 58.000 0.017 0.000 1.383 903 F CB 0.000 39.000 39.000 -0.000 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574