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 2jkt_1_L DATA FIRST_RESID 3 DATA SEQUENCE AVSKGDGMRG LAVFISDIRN CKSKEAEIKR INKELANIRS KFKGDKALDG DATA SEQUENCE YSKKKYVCKL LFIFLLGHDI DFGHMEAVNL LSSNRYTEKQ IGYLFISVLV DATA SEQUENCE NSNSELIRLI NNAIKNDLAS RNPTFMGLAL HCIANVGSRE MAEAFAGEIP DATA SEQUENCE KILVAGDTMD SVKQSAALCL LRLYRTSPDL VPMGDWTSRV VHLLNDQHLG DATA SEQUENCE VVTAATSLIT TLAQKNPEEF KTSVSLAVSR LSRIVTSAST DLQDYTYYFV DATA SEQUENCE PAPWLSVKLL RLLQCYPPPE DPAVRGRLTE CLETILNKAQ EPPKSKKVQH DATA SEQUENCE SNAKNAVLFE AISLIIHHDS EPNLLVRACN QLGQFLQHRE TNLRYLALES DATA SEQUENCE MCTLASSEFS HEAVKTHIET VINALKTERD VSVRQRAVDL LYAMCDRSNA DATA SEQUENCE QQIVAEMLSY LETADYSIRE EIVLKVAILA EKYAVDYTWY VDTILNLIRI DATA SEQUENCE AGDYVSEEVW YRVIQIVINR DDVQGYAAKT VFEALQAPAC HENLVKVGGY DATA SEQUENCE ILGEFGNLIA GDPRSSPLIQ FNLLHSKFHL CSVPTRALLL STYIKFVNLF DATA SEQUENCE PEVKATIQDV LRSDSQLKNA DVELQQRAVE YLRLSTVAST DILATVLEEM DATA SEQUENCE PPFPERESSI LAKLKKKKGG S 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.579 177.584 -0.008 0.000 1.274 3 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 3 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 4 V N 0.674 120.582 119.914 -0.010 0.000 3.096 4 V HA 0.751 4.871 4.120 -0.000 0.000 0.319 4 V C 1.364 177.454 176.094 -0.005 0.000 1.082 4 V CA 0.053 62.348 62.300 -0.009 0.000 1.022 4 V CB 1.708 33.522 31.823 -0.014 0.000 1.103 4 V HN 1.243 nan 8.190 nan 0.000 0.455 5 S N 0.880 116.579 115.700 -0.001 0.000 2.634 5 S HA 0.333 4.803 4.470 -0.000 0.000 0.254 5 S C -0.303 174.300 174.600 0.005 0.000 1.299 5 S CA -0.271 57.931 58.200 0.004 0.000 0.974 5 S CB 0.294 63.500 63.200 0.009 0.000 1.001 5 S HN 0.793 nan 8.310 nan 0.000 0.584 6 K N 1.000 121.407 120.400 0.012 0.000 2.716 6 K HA 0.486 4.806 4.320 -0.000 0.000 0.249 6 K C -0.468 176.149 176.600 0.028 0.000 1.004 6 K CA -0.794 55.503 56.287 0.016 0.000 0.968 6 K CB 0.931 33.438 32.500 0.011 0.000 1.214 6 K HN 0.545 nan 8.250 nan 0.000 0.476 7 G N 1.615 110.439 108.800 0.040 0.000 2.388 7 G HA2 0.601 4.561 3.960 -0.000 0.000 0.330 7 G HA3 0.601 4.561 3.960 -0.000 0.000 0.330 7 G C -1.208 173.732 174.900 0.068 0.000 1.142 7 G CA -0.053 45.080 45.100 0.056 0.000 0.908 7 G HN 0.582 nan 8.290 nan 0.000 0.473 8 D N -0.848 119.594 120.400 0.071 0.000 3.088 8 D HA 0.493 5.133 4.640 -0.000 0.000 0.275 8 D C -0.225 176.112 176.300 0.062 0.000 1.045 8 D CA 1.013 55.055 54.000 0.069 0.000 0.729 8 D CB 0.867 41.704 40.800 0.062 0.000 1.808 8 D HN 1.514 nan 8.370 nan 0.000 0.467 9 G N 0.590 109.421 108.800 0.051 0.000 2.333 9 G HA2 0.529 4.489 3.960 -0.000 0.000 0.330 9 G HA3 0.529 4.489 3.960 -0.000 0.000 0.330 9 G C -1.363 173.564 174.900 0.045 0.000 1.465 9 G CA -0.278 44.851 45.100 0.048 0.000 0.996 9 G HN 0.674 nan 8.290 nan 0.000 0.655 10 M N 0.995 120.613 119.600 0.030 0.000 2.719 10 M HA 0.260 4.740 4.480 -0.000 0.000 0.149 10 M C 0.911 177.211 176.300 0.001 0.000 0.965 10 M CA -0.511 54.790 55.300 0.001 0.000 0.745 10 M CB 0.802 33.321 32.600 -0.136 0.000 3.178 10 M HN 0.803 nan 8.290 nan 0.000 0.333 11 R N 1.084 121.612 120.500 0.046 0.000 2.133 11 R HA -0.167 4.173 4.340 -0.000 0.000 0.245 11 R C 1.629 177.922 176.300 -0.011 0.000 1.137 11 R CA 2.864 58.975 56.100 0.017 0.000 0.947 11 R CB -0.395 29.922 30.300 0.029 0.000 0.865 11 R HN 0.861 nan 8.270 nan 0.000 0.437 12 G N 1.000 109.784 108.800 -0.026 0.000 2.503 12 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.221 12 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.221 12 G C 1.290 176.164 174.900 -0.044 0.000 1.131 12 G CA 1.027 46.091 45.100 -0.059 0.000 0.756 12 G HN 0.324 nan 8.290 nan 0.000 0.572 13 L N 1.293 122.475 121.223 -0.067 0.000 1.976 13 L HA 0.139 4.479 4.340 -0.000 0.000 0.209 13 L C 3.202 180.015 176.870 -0.095 0.000 1.071 13 L CA 2.319 57.119 54.840 -0.067 0.000 0.746 13 L CB -0.916 41.088 42.059 -0.092 0.000 0.890 13 L HN 0.246 nan 8.230 nan 0.000 0.432 14 A N -1.338 121.433 122.820 -0.082 0.000 1.997 14 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 14 A C 2.244 179.789 177.584 -0.066 0.000 1.172 14 A CA 2.232 54.220 52.037 -0.082 0.000 0.645 14 A CB -1.103 17.871 19.000 -0.044 0.000 0.813 14 A HN 0.369 nan 8.150 nan 0.000 0.454 15 V N -1.649 118.251 119.914 -0.025 0.000 2.346 15 V HA -0.131 3.988 4.120 -0.000 0.000 0.244 15 V C 2.193 178.320 176.094 0.055 0.000 1.037 15 V CA 1.633 63.939 62.300 0.009 0.000 1.029 15 V CB -0.868 30.968 31.823 0.022 0.000 0.663 15 V HN 0.627 nan 8.190 nan 0.000 0.454 16 F N 0.659 120.533 119.950 -0.127 0.000 2.250 16 F HA -0.135 4.392 4.527 -0.000 0.000 0.301 16 F C 1.932 177.622 175.800 -0.183 0.000 1.077 16 F CA 1.132 59.054 58.000 -0.131 0.000 1.348 16 F CB -0.320 38.595 39.000 -0.141 0.000 1.040 16 F HN 0.090 nan 8.300 nan 0.000 0.509 17 I N -1.376 118.990 120.570 -0.340 0.000 2.235 17 I HA -0.236 3.934 4.170 -0.000 0.000 0.241 17 I C 2.509 178.509 176.117 -0.195 0.000 1.085 17 I CA 1.145 62.180 61.300 -0.442 0.000 1.378 17 I CB -0.802 36.939 38.000 -0.433 0.000 1.076 17 I HN -0.085 nan 8.210 nan 0.000 0.415 18 S N 0.559 116.193 115.700 -0.110 0.000 2.368 18 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 18 S C 1.552 176.133 174.600 -0.032 0.000 1.030 18 S CA 1.453 59.621 58.200 -0.053 0.000 0.999 18 S CB -0.318 62.864 63.200 -0.031 0.000 0.844 18 S HN 0.399 nan 8.310 nan 0.000 0.459 19 D N 0.863 121.254 120.400 -0.014 0.000 2.178 19 D HA -0.011 4.629 4.640 -0.000 0.000 0.201 19 D C 1.702 178.002 176.300 -0.001 0.000 0.980 19 D CA 0.700 54.711 54.000 0.019 0.000 0.842 19 D CB -0.106 40.743 40.800 0.082 0.000 0.948 19 D HN 0.354 nan 8.370 nan 0.000 0.472 20 I N 0.067 120.599 120.570 -0.064 0.000 2.556 20 I HA -0.078 4.092 4.170 -0.000 0.000 0.251 20 I C 1.763 177.853 176.117 -0.044 0.000 1.105 20 I CA 0.121 61.370 61.300 -0.084 0.000 1.436 20 I CB 0.308 38.157 38.000 -0.252 0.000 1.139 20 I HN -0.216 nan 8.210 nan 0.000 0.438 21 R N 1.134 121.609 120.500 -0.041 0.000 2.341 21 R HA -0.087 4.253 4.340 -0.000 0.000 0.213 21 R C 1.243 177.536 176.300 -0.012 0.000 1.082 21 R CA 0.476 56.569 56.100 -0.012 0.000 1.017 21 R CB -1.325 28.972 30.300 -0.005 0.000 0.860 21 R HN 0.421 nan 8.270 nan 0.000 0.473 22 N N -0.002 118.690 118.700 -0.014 0.000 2.024 22 N HA 0.003 4.743 4.740 -0.000 0.000 0.207 22 N C -0.292 175.216 175.510 -0.002 0.000 1.076 22 N CA 0.410 53.457 53.050 -0.006 0.000 1.022 22 N CB -0.114 38.372 38.487 -0.001 0.000 1.266 22 N HN 0.072 nan 8.380 nan 0.000 0.508 23 C N 0.919 120.221 119.300 0.003 0.000 1.590 23 C HA -0.076 4.383 4.460 -0.000 0.000 0.220 23 C C 0.685 175.676 174.990 0.002 0.000 0.769 23 C CA -0.542 58.479 59.018 0.005 0.000 3.283 23 C CB -1.009 26.733 27.740 0.003 0.000 1.854 23 C HN 0.504 nan 8.230 nan 0.000 0.237 24 K N 1.455 121.857 120.400 0.004 0.000 2.699 24 K HA 0.048 4.368 4.320 -0.000 0.000 0.205 24 K C 0.929 177.530 176.600 0.001 0.000 1.008 24 K CA 1.068 57.356 56.287 0.002 0.000 1.100 24 K CB -0.215 32.287 32.500 0.003 0.000 0.878 24 K HN 1.077 nan 8.250 nan 0.000 0.496 25 S N -1.699 114.001 115.700 0.000 0.000 2.643 25 S HA 0.248 4.718 4.470 -0.000 0.000 0.266 25 S C -0.390 174.208 174.600 -0.004 0.000 1.130 25 S CA -0.989 57.210 58.200 -0.001 0.000 0.817 25 S CB 1.144 64.344 63.200 0.000 0.000 1.107 25 S HN -0.054 nan 8.310 nan 0.000 0.471 26 K N 0.346 120.742 120.400 -0.006 0.000 2.469 26 K HA 0.360 4.680 4.320 -0.000 0.000 0.201 26 K C 0.829 177.424 176.600 -0.007 0.000 1.028 26 K CA 0.473 56.755 56.287 -0.009 0.000 1.170 26 K CB -0.036 32.458 32.500 -0.011 0.000 0.874 26 K HN 0.583 nan 8.250 nan 0.000 0.507 27 E N -1.542 118.656 120.200 -0.003 0.000 2.568 27 E HA 0.156 4.506 4.350 -0.000 0.000 0.220 27 E C 1.030 177.631 176.600 0.002 0.000 0.869 27 E CA 0.370 56.769 56.400 -0.002 0.000 1.268 27 E CB 0.475 30.176 29.700 0.001 0.000 1.252 27 E HN 0.239 nan 8.360 nan 0.000 0.606 28 A N 1.506 124.329 122.820 0.005 0.000 1.929 28 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 28 A C 2.003 179.598 177.584 0.018 0.000 1.176 28 A CA 1.457 53.501 52.037 0.013 0.000 0.628 28 A CB -0.414 18.594 19.000 0.013 0.000 0.816 28 A HN 0.332 nan 8.150 nan 0.000 0.444 29 E N 0.305 120.510 120.200 0.008 0.000 2.086 29 E HA -0.234 4.116 4.350 -0.000 0.000 0.200 29 E C 1.766 178.368 176.600 0.003 0.000 1.012 29 E CA 1.848 58.251 56.400 0.006 0.000 0.812 29 E CB -0.291 29.402 29.700 -0.011 0.000 0.743 29 E HN 0.688 nan 8.360 nan 0.000 0.453 30 I N 0.501 121.062 120.570 -0.015 0.000 2.493 30 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 30 I C 2.704 178.805 176.117 -0.027 0.000 1.160 30 I CA 0.893 62.166 61.300 -0.045 0.000 1.445 30 I CB -0.294 37.684 38.000 -0.038 0.000 1.086 30 I HN 0.104 nan 8.210 nan 0.000 0.433 31 K N 1.046 121.449 120.400 0.006 0.000 2.044 31 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 31 K C 2.441 179.069 176.600 0.047 0.000 1.049 31 K CA 0.666 56.965 56.287 0.020 0.000 0.945 31 K CB 0.031 32.544 32.500 0.022 0.000 0.724 31 K HN -0.031 nan 8.250 nan 0.000 0.440 32 R N 1.049 121.594 120.500 0.076 0.000 2.193 32 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 32 R C 1.990 178.420 176.300 0.216 0.000 1.110 32 R CA 0.743 56.926 56.100 0.138 0.000 0.988 32 R CB -0.535 29.864 30.300 0.166 0.000 0.871 32 R HN 0.244 nan 8.270 nan 0.000 0.458 33 I N 1.491 122.172 120.570 0.185 0.000 2.133 33 I HA -0.257 3.913 4.170 -0.000 0.000 0.238 33 I C 1.719 177.903 176.117 0.112 0.000 1.074 33 I CA 1.322 62.751 61.300 0.215 0.000 1.342 33 I CB -0.838 37.199 38.000 0.063 0.000 1.053 33 I HN 0.101 nan 8.210 nan 0.000 0.404 34 N N 0.702 119.431 118.700 0.049 0.000 2.348 34 N HA -0.175 4.565 4.740 -0.000 0.000 0.185 34 N C 1.602 177.138 175.510 0.044 0.000 1.019 34 N CA 0.934 54.016 53.050 0.054 0.000 0.880 34 N CB -0.183 38.327 38.487 0.039 0.000 0.965 34 N HN 0.515 nan 8.380 nan 0.000 0.437 35 K N 0.303 120.724 120.400 0.034 0.000 2.166 35 K HA -0.018 4.302 4.320 -0.000 0.000 0.201 35 K C 1.655 178.231 176.600 -0.041 0.000 1.052 35 K CA 0.557 56.848 56.287 0.006 0.000 0.969 35 K CB 0.156 32.667 32.500 0.020 0.000 0.761 35 K HN -0.004 nan 8.250 nan 0.000 0.459 36 E N 1.584 121.728 120.200 -0.093 0.000 2.122 36 E HA 0.013 4.363 4.350 -0.000 0.000 0.190 36 E C 1.827 178.357 176.600 -0.118 0.000 0.977 36 E CA 0.594 56.846 56.400 -0.247 0.000 0.820 36 E CB -0.059 29.168 29.700 -0.788 0.000 0.770 36 E HN 0.107 nan 8.360 nan 0.000 0.462 37 L N -0.130 121.094 121.223 0.001 0.000 2.131 37 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 37 L C 2.256 179.193 176.870 0.113 0.000 1.092 37 L CA 1.156 56.083 54.840 0.145 0.000 0.759 37 L CB -0.405 41.786 42.059 0.221 0.000 0.903 37 L HN 0.216 nan 8.230 nan 0.000 0.435 38 A N -0.174 122.663 122.820 0.029 0.000 1.970 38 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 38 A C 1.993 179.524 177.584 -0.087 0.000 1.170 38 A CA 1.600 53.623 52.037 -0.024 0.000 0.645 38 A CB -0.472 18.518 19.000 -0.015 0.000 0.816 38 A HN 0.468 nan 8.150 nan 0.000 0.447 39 N N 0.371 119.015 118.700 -0.093 0.000 2.207 39 N HA -0.050 4.690 4.740 -0.000 0.000 0.182 39 N C 1.468 176.832 175.510 -0.244 0.000 1.020 39 N CA 1.645 54.613 53.050 -0.136 0.000 0.858 39 N CB -0.372 38.057 38.487 -0.096 0.000 0.991 39 N HN 0.472 nan 8.380 nan 0.000 0.427 40 I N 0.113 120.551 120.570 -0.221 0.000 2.142 40 I HA -0.195 3.975 4.170 -0.000 0.000 0.240 40 I C 1.575 177.324 176.117 -0.612 0.000 1.078 40 I CA 0.641 61.684 61.300 -0.427 0.000 1.343 40 I CB -0.391 37.550 38.000 -0.099 0.000 1.046 40 I HN 0.161 nan 8.210 nan 0.000 0.405 41 R N 1.513 121.810 120.500 -0.339 0.000 2.734 41 R HA -0.022 4.318 4.340 -0.000 0.000 0.266 41 R C 0.954 177.029 176.300 -0.376 0.000 1.044 41 R CA 1.066 56.859 56.100 -0.510 0.000 1.128 41 R CB 0.456 30.355 30.300 -0.668 0.000 1.010 41 R HN 0.470 nan 8.270 nan 0.000 0.461 42 S N 0.706 116.219 115.700 -0.313 0.000 3.450 42 S HA -0.126 4.344 4.470 -0.000 0.000 0.288 42 S C 0.076 174.516 174.600 -0.266 0.000 1.256 42 S CA 1.362 59.425 58.200 -0.229 0.000 0.910 42 S CB -0.842 62.248 63.200 -0.183 0.000 1.090 42 S HN 0.858 nan 8.310 nan 0.000 0.630 43 K N -0.792 119.384 120.400 -0.373 0.000 2.665 43 K HA 0.376 4.696 4.320 -0.000 0.000 0.197 43 K C 1.146 177.608 176.600 -0.231 0.000 1.463 43 K CA 0.843 56.887 56.287 -0.405 0.000 1.107 43 K CB -0.565 31.474 32.500 -0.769 0.000 1.584 43 K HN 0.352 nan 8.250 nan 0.000 0.558 44 F N 2.247 122.075 119.950 -0.205 0.000 2.113 44 F HA 0.056 4.583 4.527 -0.000 0.000 0.297 44 F C 1.620 177.343 175.800 -0.128 0.000 1.103 44 F CA 0.858 58.779 58.000 -0.133 0.000 1.248 44 F CB -0.549 38.399 39.000 -0.087 0.000 0.999 44 F HN -0.143 nan 8.300 nan 0.000 0.475 45 K N 0.916 121.321 120.400 0.007 0.000 3.322 45 K HA 0.324 4.644 4.320 -0.000 0.000 0.291 45 K C 0.177 176.739 176.600 -0.064 0.000 1.131 45 K CA -0.065 56.190 56.287 -0.053 0.000 1.185 45 K CB -0.819 31.603 32.500 -0.129 0.000 1.338 45 K HN 0.308 nan 8.250 nan 0.000 0.380 46 G N 0.205 108.981 108.800 -0.040 0.000 2.798 46 G HA2 0.106 4.066 3.960 -0.000 0.000 0.286 46 G HA3 0.106 4.066 3.960 -0.000 0.000 0.286 46 G C -0.285 174.600 174.900 -0.025 0.000 1.389 46 G CA -0.623 44.450 45.100 -0.045 0.000 0.894 46 G HN 0.337 nan 8.290 nan 0.000 0.488 47 D N -0.004 120.381 120.400 -0.026 0.000 2.137 47 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 47 D C 0.525 176.819 176.300 -0.011 0.000 0.993 47 D CA 1.015 55.004 54.000 -0.018 0.000 0.846 47 D CB -0.186 40.604 40.800 -0.018 0.000 0.990 47 D HN 0.346 nan 8.370 nan 0.000 0.448 48 K N 1.112 121.506 120.400 -0.009 0.000 2.349 48 K HA 0.474 4.794 4.320 -0.000 0.000 0.289 48 K C -0.182 176.423 176.600 0.009 0.000 1.064 48 K CA -0.439 55.847 56.287 -0.001 0.000 0.947 48 K CB 1.259 33.759 32.500 0.000 0.000 1.007 48 K HN 0.315 nan 8.250 nan 0.000 0.478 49 A N 3.882 126.710 122.820 0.013 0.000 2.520 49 A HA 0.114 4.434 4.320 -0.000 0.000 0.235 49 A C 0.113 177.721 177.584 0.041 0.000 1.065 49 A CA -0.276 51.778 52.037 0.028 0.000 0.764 49 A CB -0.052 18.955 19.000 0.012 0.000 1.002 49 A HN 0.574 nan 8.150 nan 0.000 0.502 50 L N 1.645 122.911 121.223 0.073 0.000 2.479 50 L HA 0.330 4.670 4.340 -0.000 0.000 0.249 50 L C 1.014 177.937 176.870 0.088 0.000 1.178 50 L CA -0.620 54.276 54.840 0.093 0.000 0.811 50 L CB 0.023 42.172 42.059 0.149 0.000 1.187 50 L HN 0.806 nan 8.230 nan 0.000 0.480 51 D N -0.349 120.113 120.400 0.103 0.000 2.433 51 D HA 0.088 4.728 4.640 -0.000 0.000 0.255 51 D C 1.129 177.495 176.300 0.109 0.000 1.226 51 D CA 0.027 54.082 54.000 0.092 0.000 1.015 51 D CB 0.316 41.172 40.800 0.093 0.000 1.091 51 D HN 0.556 nan 8.370 nan 0.000 0.527 52 G N -0.812 108.043 108.800 0.092 0.000 2.446 52 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.217 52 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.217 52 G C 1.410 176.374 174.900 0.106 0.000 1.168 52 G CA 0.930 46.076 45.100 0.076 0.000 0.771 52 G HN 0.600 nan 8.290 nan 0.000 0.551 53 Y N 1.749 122.067 120.300 0.030 0.000 2.097 53 Y HA -0.180 4.370 4.550 -0.000 0.000 0.282 53 Y C 3.245 179.166 175.900 0.036 0.000 1.152 53 Y CA 2.186 60.300 58.100 0.023 0.000 1.136 53 Y CB -0.173 38.297 38.460 0.017 0.000 0.975 53 Y HN 0.235 nan 8.280 nan 0.000 0.498 54 S N -0.127 115.753 115.700 0.299 0.000 2.402 54 S HA -0.154 4.316 4.470 -0.000 0.000 0.229 54 S C 1.903 176.722 174.600 0.365 0.000 1.021 54 S CA 1.108 59.487 58.200 0.299 0.000 0.974 54 S CB -0.195 63.245 63.200 0.401 0.000 0.800 54 S HN 0.375 nan 8.310 nan 0.000 0.484 55 K N 1.367 121.924 120.400 0.262 0.000 1.973 55 K HA -0.129 4.190 4.320 -0.000 0.000 0.212 55 K C 2.254 178.936 176.600 0.137 0.000 1.047 55 K CA 1.315 57.750 56.287 0.246 0.000 0.937 55 K CB -0.292 32.260 32.500 0.086 0.000 0.721 55 K HN 0.216 nan 8.250 nan 0.000 0.440 56 K N 1.691 122.096 120.400 0.007 0.000 2.097 56 K HA -0.292 4.028 4.320 -0.000 0.000 0.214 56 K C 2.106 178.655 176.600 -0.085 0.000 1.052 56 K CA 2.307 58.548 56.287 -0.076 0.000 0.932 56 K CB -0.147 32.261 32.500 -0.154 0.000 0.716 56 K HN 0.034 nan 8.250 nan 0.000 0.455 57 K N -0.675 119.632 120.400 -0.155 0.000 2.062 57 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 57 K C 1.903 178.406 176.600 -0.161 0.000 1.051 57 K CA 1.434 57.577 56.287 -0.240 0.000 0.941 57 K CB -0.195 32.062 32.500 -0.405 0.000 0.719 57 K HN 0.283 nan 8.250 nan 0.000 0.440 58 Y N 0.554 120.889 120.300 0.058 0.000 2.395 58 Y HA -0.124 4.426 4.550 -0.000 0.000 0.293 58 Y C 2.200 178.219 175.900 0.198 0.000 1.123 58 Y CA 0.510 58.667 58.100 0.096 0.000 1.227 58 Y CB 0.122 38.610 38.460 0.047 0.000 1.012 58 Y HN -0.140 nan 8.280 nan 0.000 0.552 59 V N -1.347 118.747 119.914 0.300 0.000 2.237 59 V HA -0.357 3.763 4.120 -0.000 0.000 0.245 59 V C 2.429 178.673 176.094 0.249 0.000 1.046 59 V CA 1.753 64.154 62.300 0.169 0.000 1.007 59 V CB -1.021 30.787 31.823 -0.025 0.000 0.638 59 V HN 0.566 nan 8.190 nan 0.000 0.445 60 C N 0.040 119.435 119.300 0.159 0.000 2.403 60 C HA -0.210 4.250 4.460 -0.000 0.000 0.277 60 C C 2.866 177.986 174.990 0.217 0.000 1.248 60 C CA 1.530 60.640 59.018 0.154 0.000 1.762 60 C CB -1.126 26.644 27.740 0.049 0.000 2.014 60 C HN 0.535 nan 8.230 nan 0.000 0.486 61 K N -0.142 120.383 120.400 0.208 0.000 2.097 61 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 61 K C 1.928 178.771 176.600 0.405 0.000 1.050 61 K CA 1.086 57.555 56.287 0.302 0.000 0.938 61 K CB -0.236 32.366 32.500 0.170 0.000 0.718 61 K HN 0.529 nan 8.250 nan 0.000 0.442 62 L N 0.662 122.085 121.223 0.334 0.000 1.994 62 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 62 L C 2.474 179.519 176.870 0.292 0.000 1.071 62 L CA 0.756 55.783 54.840 0.312 0.000 0.745 62 L CB -0.588 41.663 42.059 0.319 0.000 0.892 62 L HN 0.167 nan 8.230 nan 0.000 0.431 63 L N -0.328 121.057 121.223 0.270 0.000 2.089 63 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 63 L C 2.331 179.332 176.870 0.219 0.000 1.079 63 L CA 1.861 56.773 54.840 0.120 0.000 0.758 63 L CB -0.622 41.518 42.059 0.135 0.000 0.891 63 L HN 0.120 nan 8.230 nan 0.000 0.433 64 F N -0.592 119.444 119.950 0.142 0.000 2.128 64 F HA -0.123 4.404 4.527 -0.000 0.000 0.295 64 F C 2.232 178.099 175.800 0.113 0.000 1.100 64 F CA 1.511 59.574 58.000 0.105 0.000 1.260 64 F CB -0.126 38.926 39.000 0.088 0.000 1.009 64 F HN 0.010 nan 8.300 nan 0.000 0.476 65 I N -0.485 120.332 120.570 0.410 0.000 2.264 65 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 65 I C 2.312 178.523 176.117 0.157 0.000 1.111 65 I CA 1.490 62.966 61.300 0.292 0.000 1.382 65 I CB -0.603 37.645 38.000 0.412 0.000 1.060 65 I HN 0.222 nan 8.210 nan 0.000 0.418 66 F N 1.612 121.567 119.950 0.009 0.000 2.069 66 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 66 F C 2.021 177.753 175.800 -0.114 0.000 1.113 66 F CA 1.565 59.527 58.000 -0.064 0.000 1.214 66 F CB -0.104 38.812 39.000 -0.140 0.000 0.978 66 F HN -0.131 nan 8.300 nan 0.000 0.474 67 L N 0.699 121.857 121.223 -0.109 0.000 2.749 67 L HA -0.145 4.195 4.340 -0.000 0.000 0.245 67 L C 1.452 178.096 176.870 -0.376 0.000 1.156 67 L CA 0.057 54.739 54.840 -0.264 0.000 0.890 67 L CB -0.573 41.366 42.059 -0.199 0.000 1.036 67 L HN 0.389 nan 8.230 nan 0.000 0.441 68 L N -1.232 119.788 121.223 -0.339 0.000 2.388 68 L HA 0.267 4.607 4.340 -0.000 0.000 0.209 68 L C 1.634 178.383 176.870 -0.203 0.000 1.061 68 L CA 1.070 55.739 54.840 -0.285 0.000 0.834 68 L CB 0.132 42.058 42.059 -0.222 0.000 1.029 68 L HN 0.424 nan 8.230 nan 0.000 0.473 69 G N -2.042 106.636 108.800 -0.205 0.000 3.246 69 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 69 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 69 G C -0.069 174.776 174.900 -0.091 0.000 0.978 69 G CA -0.553 44.441 45.100 -0.177 0.000 0.825 69 G HN 0.260 nan 8.290 nan 0.000 0.546 70 H N 1.908 120.903 119.070 -0.126 0.000 2.629 70 H HA 0.560 5.116 4.556 -0.000 0.000 0.357 70 H C -0.102 175.229 175.328 0.005 0.000 1.121 70 H CA 0.319 56.349 56.048 -0.030 0.000 1.406 70 H CB 0.821 30.607 29.762 0.040 0.000 1.456 70 H HN 0.123 nan 8.280 nan 0.000 0.579 71 D N 2.396 122.630 120.400 -0.277 0.000 2.388 71 D HA 0.249 4.889 4.640 -0.000 0.000 0.254 71 D C -0.052 176.275 176.300 0.045 0.000 1.111 71 D CA -0.092 53.889 54.000 -0.031 0.000 0.993 71 D CB 1.244 41.999 40.800 -0.074 0.000 1.118 71 D HN 0.296 nan 8.370 nan 0.000 0.502 72 I N 1.639 122.281 120.570 0.121 0.000 2.534 72 I HA 0.027 4.197 4.170 -0.000 0.000 0.286 72 I C -0.161 176.010 176.117 0.090 0.000 1.094 72 I CA -0.565 60.770 61.300 0.059 0.000 1.055 72 I CB 1.780 39.764 38.000 -0.026 0.000 1.225 72 I HN 0.296 nan 8.210 nan 0.000 0.435 73 D N 5.758 126.245 120.400 0.145 0.000 2.358 73 D HA 0.150 4.790 4.640 -0.000 0.000 0.224 73 D C -0.094 176.421 176.300 0.359 0.000 1.123 73 D CA 0.005 54.140 54.000 0.225 0.000 0.833 73 D CB 0.100 41.027 40.800 0.211 0.000 0.946 73 D HN 0.320 nan 8.370 nan 0.000 0.505 74 F N -3.888 116.205 119.950 0.239 0.000 2.900 74 F HA 0.557 5.084 4.527 -0.000 0.000 0.321 74 F C 0.716 176.643 175.800 0.211 0.000 1.160 74 F CA -0.382 57.754 58.000 0.227 0.000 0.890 74 F CB 0.927 40.026 39.000 0.166 0.000 1.334 74 F HN -0.089 nan 8.300 nan 0.000 0.459 75 G N 0.520 109.550 108.800 0.383 0.000 2.254 75 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.225 75 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.225 75 G C 0.696 175.380 174.900 -0.360 0.000 1.003 75 G CA 0.491 45.578 45.100 -0.022 0.000 0.622 75 G HN 1.162 nan 8.290 nan 0.000 0.507 76 H N -0.482 118.497 119.070 -0.152 0.000 2.460 76 H HA 0.031 4.587 4.556 -0.000 0.000 0.297 76 H C 2.529 177.715 175.328 -0.236 0.000 1.103 76 H CA 2.140 58.095 56.048 -0.155 0.000 1.292 76 H CB -0.123 29.650 29.762 0.019 0.000 1.376 76 H HN 0.455 nan 8.280 nan 0.000 0.531 77 M N 0.156 119.700 119.600 -0.093 0.000 2.156 77 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 77 M C 1.690 177.825 176.300 -0.275 0.000 1.067 77 M CA 1.420 56.634 55.300 -0.143 0.000 1.131 77 M CB 0.203 32.744 32.600 -0.097 0.000 1.368 77 M HN 0.004 nan 8.290 nan 0.000 0.416 78 E N -0.166 119.759 120.200 -0.458 0.000 2.153 78 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 78 E C 1.933 178.244 176.600 -0.481 0.000 0.988 78 E CA 1.408 57.454 56.400 -0.591 0.000 0.811 78 E CB -0.465 28.521 29.700 -1.190 0.000 0.746 78 E HN 0.559 nan 8.360 nan 0.000 0.466 79 A N 0.030 122.521 122.820 -0.549 0.000 1.929 79 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 79 A C 2.291 179.687 177.584 -0.314 0.000 1.176 79 A CA 1.143 52.888 52.037 -0.487 0.000 0.628 79 A CB -0.337 18.255 19.000 -0.681 0.000 0.816 79 A HN 0.157 nan 8.150 nan 0.000 0.444 80 V N 0.901 120.664 119.914 -0.252 0.000 2.970 80 V HA -0.172 3.948 4.120 -0.000 0.000 0.260 80 V C 2.070 178.048 176.094 -0.195 0.000 1.100 80 V CA 1.701 63.884 62.300 -0.195 0.000 1.122 80 V CB -1.116 30.633 31.823 -0.123 0.000 0.721 80 V HN 0.483 nan 8.190 nan 0.000 0.483 81 N N 0.863 119.442 118.700 -0.201 0.000 2.058 81 N HA -0.086 4.654 4.740 -0.000 0.000 0.191 81 N C 1.732 177.135 175.510 -0.178 0.000 1.037 81 N CA 1.382 54.330 53.050 -0.170 0.000 0.848 81 N CB -0.507 37.882 38.487 -0.163 0.000 1.021 81 N HN 0.382 nan 8.380 nan 0.000 0.422 82 L N 0.543 121.643 121.223 -0.205 0.000 2.129 82 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 82 L C 1.916 178.634 176.870 -0.252 0.000 1.087 82 L CA 0.680 55.400 54.840 -0.201 0.000 0.757 82 L CB -0.443 41.493 42.059 -0.204 0.000 0.896 82 L HN 0.174 nan 8.230 nan 0.000 0.434 83 L N -1.063 119.968 121.223 -0.321 0.000 2.450 83 L HA -0.155 4.185 4.340 -0.000 0.000 0.224 83 L C 2.186 178.863 176.870 -0.322 0.000 1.149 83 L CA 0.697 55.266 54.840 -0.452 0.000 0.816 83 L CB -0.302 41.458 42.059 -0.498 0.000 0.932 83 L HN 0.232 nan 8.230 nan 0.000 0.449 84 S N -1.968 113.593 115.700 -0.232 0.000 2.497 84 S HA 0.009 4.479 4.470 -0.000 0.000 0.221 84 S C 1.034 175.524 174.600 -0.184 0.000 1.037 84 S CA -0.107 57.982 58.200 -0.185 0.000 0.920 84 S CB 0.239 63.361 63.200 -0.130 0.000 0.800 84 S HN 0.386 nan 8.310 nan 0.000 0.505 85 S N 2.199 117.800 115.700 -0.165 0.000 2.540 85 S HA -0.023 4.447 4.470 -0.000 0.000 0.272 85 S C 0.890 175.403 174.600 -0.144 0.000 1.357 85 S CA -0.010 58.119 58.200 -0.118 0.000 1.011 85 S CB 0.130 63.276 63.200 -0.090 0.000 0.852 85 S HN 0.350 nan 8.310 nan 0.000 0.535 86 N N 1.285 119.958 118.700 -0.044 0.000 2.280 86 N HA 0.101 4.841 4.740 -0.000 0.000 0.192 86 N C -0.245 175.374 175.510 0.180 0.000 1.109 86 N CA 0.239 53.316 53.050 0.046 0.000 0.855 86 N CB 0.076 38.622 38.487 0.098 0.000 0.974 86 N HN 0.479 nan 8.380 nan 0.000 0.482 87 R N 0.532 121.098 120.500 0.110 0.000 2.254 87 R HA 0.092 4.432 4.340 -0.000 0.000 0.318 87 R C 0.684 177.106 176.300 0.204 0.000 1.031 87 R CA -0.515 55.683 56.100 0.164 0.000 0.905 87 R CB 0.937 31.295 30.300 0.096 0.000 1.050 87 R HN 0.090 nan 8.270 nan 0.000 0.456 88 Y N 3.472 123.886 120.300 0.189 0.000 2.081 88 Y HA -0.340 4.210 4.550 -0.000 0.000 0.280 88 Y C 2.475 178.441 175.900 0.110 0.000 1.163 88 Y CA 2.626 60.840 58.100 0.190 0.000 1.135 88 Y CB -0.347 38.188 38.460 0.126 0.000 0.970 88 Y HN 0.729 nan 8.280 nan 0.000 0.498 89 T N -2.086 112.429 114.554 -0.064 0.000 2.929 89 T HA -0.158 4.192 4.350 -0.000 0.000 0.271 89 T C 1.509 176.101 174.700 -0.181 0.000 1.085 89 T CA 1.709 63.692 62.100 -0.195 0.000 1.125 89 T CB -0.405 68.464 68.868 0.002 0.000 0.874 89 T HN 0.644 nan 8.240 nan 0.000 0.494 90 E N 0.771 120.904 120.200 -0.112 0.000 2.086 90 E HA 0.038 4.388 4.350 -0.000 0.000 0.190 90 E C 2.411 178.919 176.600 -0.152 0.000 0.975 90 E CA 0.599 56.931 56.400 -0.113 0.000 0.813 90 E CB 0.033 29.691 29.700 -0.071 0.000 0.768 90 E HN 0.530 nan 8.360 nan 0.000 0.457 91 K N 0.964 121.274 120.400 -0.150 0.000 2.097 91 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 91 K C 2.297 178.847 176.600 -0.083 0.000 1.049 91 K CA 0.899 57.098 56.287 -0.147 0.000 0.933 91 K CB -0.036 32.437 32.500 -0.046 0.000 0.717 91 K HN 0.074 nan 8.250 nan 0.000 0.442 92 Q N 0.932 120.606 119.800 -0.210 0.000 2.030 92 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 92 Q C 2.102 178.061 176.000 -0.068 0.000 0.986 92 Q CA 1.439 57.118 55.803 -0.205 0.000 0.843 92 Q CB 0.002 28.441 28.738 -0.498 0.000 0.904 92 Q HN 0.342 nan 8.270 nan 0.000 0.420 93 I N -0.095 120.415 120.570 -0.100 0.000 2.315 93 I HA -0.187 3.982 4.170 -0.000 0.000 0.248 93 I C 2.306 178.414 176.117 -0.015 0.000 1.117 93 I CA 1.171 62.449 61.300 -0.037 0.000 1.404 93 I CB -0.929 37.039 38.000 -0.054 0.000 1.071 93 I HN 0.313 nan 8.210 nan 0.000 0.419 94 G N 0.160 108.893 108.800 -0.111 0.000 2.433 94 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 94 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 94 G C 1.606 176.444 174.900 -0.104 0.000 1.186 94 G CA 0.588 45.579 45.100 -0.183 0.000 0.779 94 G HN 0.295 nan 8.290 nan 0.000 0.543 95 Y N -0.361 119.924 120.300 -0.025 0.000 2.145 95 Y HA -0.064 4.486 4.550 -0.000 0.000 0.286 95 Y C 2.675 178.586 175.900 0.019 0.000 1.145 95 Y CA 0.686 58.783 58.100 -0.006 0.000 1.148 95 Y CB -0.222 38.223 38.460 -0.025 0.000 0.981 95 Y HN 0.193 nan 8.280 nan 0.000 0.507 96 L N -0.460 120.866 121.223 0.172 0.000 2.042 96 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 96 L C 2.141 179.056 176.870 0.075 0.000 1.076 96 L CA 1.656 56.557 54.840 0.102 0.000 0.749 96 L CB -1.077 41.025 42.059 0.071 0.000 0.893 96 L HN 0.269 nan 8.230 nan 0.000 0.432 97 F N 0.297 120.218 119.950 -0.049 0.000 2.134 97 F HA -0.214 4.312 4.527 -0.000 0.000 0.299 97 F C 2.201 177.924 175.800 -0.129 0.000 1.097 97 F CA 2.051 59.981 58.000 -0.116 0.000 1.264 97 F CB -0.073 38.836 39.000 -0.152 0.000 1.001 97 F HN 0.250 nan 8.300 nan 0.000 0.479 98 I N -3.009 117.691 120.570 0.217 0.000 3.419 98 I HA 0.043 4.213 4.170 -0.000 0.000 0.286 98 I C 1.788 177.954 176.117 0.081 0.000 1.268 98 I CA 0.788 62.188 61.300 0.167 0.000 1.414 98 I CB -0.364 37.734 38.000 0.165 0.000 1.074 98 I HN -0.091 nan 8.210 nan 0.000 0.457 99 S N 0.981 116.720 115.700 0.065 0.000 2.395 99 S HA 0.022 4.492 4.470 -0.000 0.000 0.225 99 S C 1.942 176.528 174.600 -0.023 0.000 1.027 99 S CA 1.122 59.344 58.200 0.037 0.000 0.965 99 S CB 0.028 63.261 63.200 0.054 0.000 0.812 99 S HN 0.368 nan 8.310 nan 0.000 0.482 100 V N 1.274 121.131 119.914 -0.096 0.000 2.331 100 V HA 0.107 4.227 4.120 -0.000 0.000 0.242 100 V C 0.149 176.094 176.094 -0.249 0.000 1.034 100 V CA 1.043 63.259 62.300 -0.140 0.000 1.027 100 V CB -0.322 31.393 31.823 -0.180 0.000 0.667 100 V HN 0.285 nan 8.190 nan 0.000 0.457 101 L N 1.045 121.983 121.223 -0.474 0.000 2.272 101 L HA 0.463 4.803 4.340 -0.000 0.000 0.284 101 L C -0.298 176.510 176.870 -0.103 0.000 1.045 101 L CA 0.269 54.816 54.840 -0.488 0.000 0.842 101 L CB 0.756 42.266 42.059 -0.914 0.000 1.224 101 L HN -0.043 nan 8.230 nan 0.000 0.430 102 V N 1.345 121.240 119.914 -0.032 0.000 3.267 102 V HA 0.709 4.829 4.120 -0.000 0.000 0.317 102 V C -0.069 176.022 176.094 -0.005 0.000 1.131 102 V CA -0.859 61.455 62.300 0.022 0.000 1.031 102 V CB 1.864 33.698 31.823 0.017 0.000 1.159 102 V HN 0.930 nan 8.190 nan 0.000 0.454 103 N N -1.728 116.954 118.700 -0.031 0.000 2.927 103 N HA 0.201 4.941 4.740 -0.000 0.000 0.248 103 N C -0.257 175.226 175.510 -0.046 0.000 1.443 103 N CA -0.465 52.542 53.050 -0.072 0.000 0.870 103 N CB 1.782 40.153 38.487 -0.192 0.000 1.444 103 N HN 0.378 nan 8.380 nan 0.000 0.519 104 S N -0.690 114.983 115.700 -0.045 0.000 2.593 104 S HA -0.032 4.438 4.470 -0.000 0.000 0.217 104 S C 0.603 175.184 174.600 -0.032 0.000 0.966 104 S CA -0.311 57.872 58.200 -0.028 0.000 0.914 104 S CB -0.773 62.415 63.200 -0.021 0.000 0.776 104 S HN 0.600 nan 8.310 nan 0.000 0.523 105 N N 2.611 121.279 118.700 -0.052 0.000 2.399 105 N HA -0.044 4.696 4.740 -0.000 0.000 0.284 105 N C 1.042 176.535 175.510 -0.028 0.000 1.283 105 N CA 0.034 53.056 53.050 -0.047 0.000 0.972 105 N CB 0.379 38.822 38.487 -0.073 0.000 1.328 105 N HN 0.282 nan 8.380 nan 0.000 0.486 106 S N 2.393 118.081 115.700 -0.019 0.000 2.444 106 S HA -0.287 4.183 4.470 -0.000 0.000 0.244 106 S C 1.481 176.075 174.600 -0.010 0.000 1.025 106 S CA 1.400 59.593 58.200 -0.012 0.000 0.995 106 S CB -0.128 63.066 63.200 -0.011 0.000 0.781 106 S HN 0.784 nan 8.310 nan 0.000 0.496 107 E N 1.933 122.125 120.200 -0.014 0.000 2.014 107 E HA 0.037 4.387 4.350 -0.000 0.000 0.190 107 E C 1.950 178.545 176.600 -0.008 0.000 0.980 107 E CA 0.911 57.304 56.400 -0.012 0.000 0.807 107 E CB -0.649 29.042 29.700 -0.015 0.000 0.770 107 E HN 0.502 nan 8.360 nan 0.000 0.451 108 L N 0.328 121.543 121.223 -0.013 0.000 2.043 108 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 108 L C 2.527 179.405 176.870 0.013 0.000 1.075 108 L CA 0.909 55.747 54.840 -0.004 0.000 0.752 108 L CB -0.603 41.449 42.059 -0.011 0.000 0.891 108 L HN 0.253 nan 8.230 nan 0.000 0.432 109 I N -0.440 120.137 120.570 0.012 0.000 2.300 109 I HA -0.307 3.863 4.170 -0.000 0.000 0.252 109 I C 2.650 178.794 176.117 0.044 0.000 1.119 109 I CA 1.617 62.936 61.300 0.031 0.000 1.384 109 I CB -0.438 37.574 38.000 0.020 0.000 1.062 109 I HN 0.157 nan 8.210 nan 0.000 0.426 110 R N -0.683 119.832 120.500 0.026 0.000 2.290 110 R HA 0.178 4.518 4.340 -0.000 0.000 0.197 110 R C 2.081 178.400 176.300 0.031 0.000 0.913 110 R CA 0.072 56.188 56.100 0.027 0.000 1.040 110 R CB 0.213 30.517 30.300 0.006 0.000 0.992 110 R HN 0.308 nan 8.270 nan 0.000 0.500 111 L N 0.241 121.477 121.223 0.023 0.000 2.044 111 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 111 L C 2.090 178.977 176.870 0.028 0.000 1.075 111 L CA 1.200 56.048 54.840 0.013 0.000 0.747 111 L CB -0.121 41.934 42.059 -0.006 0.000 0.903 111 L HN 0.180 nan 8.230 nan 0.000 0.435 112 I N -0.129 120.468 120.570 0.044 0.000 2.202 112 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 112 I C 1.985 178.187 176.117 0.142 0.000 1.091 112 I CA 1.005 62.347 61.300 0.070 0.000 1.368 112 I CB -0.382 37.667 38.000 0.082 0.000 1.058 112 I HN 0.315 nan 8.210 nan 0.000 0.410 113 N N 1.010 119.818 118.700 0.179 0.000 2.334 113 N HA -0.209 4.531 4.740 -0.000 0.000 0.187 113 N C 1.482 177.168 175.510 0.293 0.000 1.016 113 N CA 1.245 54.487 53.050 0.322 0.000 0.879 113 N CB -0.548 38.054 38.487 0.192 0.000 0.965 113 N HN 0.381 nan 8.380 nan 0.000 0.438 114 N N 0.038 118.828 118.700 0.151 0.000 2.197 114 N HA 0.108 4.848 4.740 -0.000 0.000 0.184 114 N C 1.602 177.173 175.510 0.101 0.000 1.030 114 N CA 1.088 54.203 53.050 0.108 0.000 0.851 114 N CB -0.235 38.282 38.487 0.050 0.000 1.003 114 N HN 0.150 nan 8.380 nan 0.000 0.430 115 A N 1.085 123.943 122.820 0.063 0.000 1.873 115 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 115 A C 2.184 179.832 177.584 0.107 0.000 1.193 115 A CA 1.434 53.493 52.037 0.036 0.000 0.629 115 A CB -1.107 17.865 19.000 -0.046 0.000 0.826 115 A HN 0.369 nan 8.150 nan 0.000 0.447 116 I N -0.243 120.421 120.570 0.158 0.000 2.194 116 I HA -0.334 3.836 4.170 -0.000 0.000 0.246 116 I C 2.592 178.762 176.117 0.089 0.000 1.093 116 I CA 2.063 63.419 61.300 0.093 0.000 1.355 116 I CB -0.355 37.610 38.000 -0.058 0.000 1.046 116 I HN 0.496 nan 8.210 nan 0.000 0.413 117 K N 1.228 121.783 120.400 0.258 0.000 2.032 117 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 117 K C 1.845 178.543 176.600 0.163 0.000 1.048 117 K CA 2.100 58.574 56.287 0.313 0.000 0.927 117 K CB -0.108 32.545 32.500 0.256 0.000 0.712 117 K HN 0.243 nan 8.250 nan 0.000 0.441 118 N N 1.408 120.176 118.700 0.112 0.000 2.080 118 N HA -0.133 4.607 4.740 -0.000 0.000 0.189 118 N C 1.393 176.952 175.510 0.081 0.000 1.036 118 N CA 1.671 54.767 53.050 0.076 0.000 0.846 118 N CB -0.510 38.001 38.487 0.039 0.000 1.015 118 N HN 0.262 nan 8.380 nan 0.000 0.423 119 D N 0.638 121.086 120.400 0.079 0.000 2.104 119 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 119 D C 2.066 178.435 176.300 0.115 0.000 0.994 119 D CA 0.611 54.679 54.000 0.113 0.000 0.830 119 D CB -0.500 40.374 40.800 0.123 0.000 0.959 119 D HN 0.205 nan 8.370 nan 0.000 0.452 120 L N 0.415 121.678 121.223 0.068 0.000 2.129 120 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 120 L C 2.312 179.225 176.870 0.073 0.000 1.087 120 L CA 1.204 56.074 54.840 0.049 0.000 0.757 120 L CB -0.216 41.862 42.059 0.033 0.000 0.896 120 L HN 0.014 nan 8.230 nan 0.000 0.434 121 A N -0.850 122.023 122.820 0.088 0.000 2.030 121 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 121 A C 2.342 179.976 177.584 0.083 0.000 1.164 121 A CA 0.916 53.002 52.037 0.081 0.000 0.697 121 A CB -0.382 18.665 19.000 0.079 0.000 0.827 121 A HN 0.465 nan 8.150 nan 0.000 0.457 122 S N -0.358 115.408 115.700 0.110 0.000 2.528 122 S HA -0.159 4.311 4.470 -0.000 0.000 0.244 122 S C 1.049 175.711 174.600 0.104 0.000 0.982 122 S CA 0.850 59.130 58.200 0.133 0.000 0.953 122 S CB -0.600 62.742 63.200 0.237 0.000 0.754 122 S HN 0.549 nan 8.310 nan 0.000 0.529 123 R N 0.570 121.116 120.500 0.078 0.000 3.826 123 R HA -0.176 4.164 4.340 -0.000 0.000 0.295 123 R C -0.389 175.926 176.300 0.023 0.000 1.200 123 R CA 0.910 57.036 56.100 0.044 0.000 0.818 123 R CB -2.159 28.162 30.300 0.034 0.000 1.216 123 R HN 0.677 nan 8.270 nan 0.000 0.513 124 N N 0.475 119.198 118.700 0.038 0.000 2.426 124 N HA 0.180 4.920 4.740 -0.000 0.000 0.275 124 N C -1.826 173.632 175.510 -0.088 0.000 1.019 124 N CA -2.446 50.565 53.050 -0.066 0.000 0.941 124 N CB 1.574 39.976 38.487 -0.141 0.000 1.123 124 N HN -0.255 nan 8.380 nan 0.000 0.486 125 P HA 0.004 nan 4.420 nan 0.000 0.217 125 P C 0.842 178.077 177.300 -0.108 0.000 1.151 125 P CA 1.245 64.288 63.100 -0.094 0.000 0.828 125 P CB 0.252 31.893 31.700 -0.099 0.000 0.788 126 T N -1.164 113.267 114.554 -0.205 0.000 2.867 126 T HA -0.055 4.294 4.350 -0.000 0.000 0.268 126 T C 1.508 176.242 174.700 0.057 0.000 1.057 126 T CA 1.164 63.174 62.100 -0.149 0.000 1.136 126 T CB -0.927 67.794 68.868 -0.244 0.000 0.874 126 T HN 0.115 nan 8.240 nan 0.000 0.466 127 F N 0.814 120.785 119.950 0.034 0.000 2.149 127 F HA 0.077 4.604 4.527 -0.000 0.000 0.294 127 F C 2.661 178.452 175.800 -0.016 0.000 1.095 127 F CA 0.326 58.351 58.000 0.042 0.000 1.276 127 F CB -0.477 38.560 39.000 0.061 0.000 1.023 127 F HN 0.018 nan 8.300 nan 0.000 0.480 128 M N 0.653 120.342 119.600 0.149 0.000 2.082 128 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 128 M C 2.547 178.845 176.300 -0.003 0.000 1.069 128 M CA 1.965 57.297 55.300 0.052 0.000 1.102 128 M CB -1.232 31.382 32.600 0.023 0.000 1.336 128 M HN 0.319 nan 8.290 nan 0.000 0.404 129 G N 0.419 109.209 108.800 -0.017 0.000 2.480 129 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 129 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 129 G C 1.460 176.272 174.900 -0.147 0.000 1.200 129 G CA 0.637 45.697 45.100 -0.066 0.000 0.782 129 G HN 0.354 nan 8.290 nan 0.000 0.554 130 L N 0.673 121.798 121.223 -0.162 0.000 2.089 130 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 130 L C 3.367 179.855 176.870 -0.637 0.000 1.079 130 L CA 1.337 55.986 54.840 -0.319 0.000 0.758 130 L CB -0.292 41.694 42.059 -0.121 0.000 0.891 130 L HN 0.369 nan 8.230 nan 0.000 0.433 131 A N -0.346 122.206 122.820 -0.446 0.000 1.854 131 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 131 A C 2.155 179.559 177.584 -0.299 0.000 1.192 131 A CA 0.983 52.754 52.037 -0.444 0.000 0.611 131 A CB -0.672 18.194 19.000 -0.224 0.000 0.832 131 A HN 0.326 nan 8.150 nan 0.000 0.442 132 L N -0.902 120.225 121.223 -0.160 0.000 2.129 132 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 132 L C 2.577 179.408 176.870 -0.066 0.000 1.087 132 L CA 1.556 56.339 54.840 -0.095 0.000 0.757 132 L CB -0.731 41.322 42.059 -0.009 0.000 0.896 132 L HN 0.554 nan 8.230 nan 0.000 0.434 133 H N -2.079 116.870 119.070 -0.202 0.000 2.403 133 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 133 H C 2.427 177.654 175.328 -0.168 0.000 1.059 133 H CA 1.428 57.379 56.048 -0.161 0.000 1.363 133 H CB 0.132 29.811 29.762 -0.139 0.000 1.410 133 H HN 0.458 nan 8.280 nan 0.000 0.528 134 C N 0.978 120.195 119.300 -0.139 0.000 2.446 134 C HA -0.095 4.364 4.460 -0.000 0.000 0.277 134 C C 2.742 177.683 174.990 -0.082 0.000 1.275 134 C CA 0.430 59.378 59.018 -0.116 0.000 1.727 134 C CB -1.266 26.363 27.740 -0.186 0.000 2.010 134 C HN 0.401 nan 8.230 nan 0.000 0.486 135 I N 1.478 121.963 120.570 -0.141 0.000 2.163 135 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 135 I C 2.827 178.900 176.117 -0.074 0.000 1.085 135 I CA 1.889 63.118 61.300 -0.118 0.000 1.347 135 I CB -0.502 37.380 38.000 -0.196 0.000 1.044 135 I HN 0.430 nan 8.210 nan 0.000 0.408 136 A N 0.428 123.187 122.820 -0.102 0.000 2.014 136 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 136 A C 1.957 179.495 177.584 -0.077 0.000 1.163 136 A CA 1.458 53.433 52.037 -0.103 0.000 0.652 136 A CB -0.452 18.443 19.000 -0.176 0.000 0.808 136 A HN 0.399 nan 8.150 nan 0.000 0.449 137 N N -0.330 118.333 118.700 -0.061 0.000 2.376 137 N HA -0.022 4.718 4.740 -0.000 0.000 0.177 137 N C 1.528 177.031 175.510 -0.013 0.000 1.024 137 N CA 1.375 54.405 53.050 -0.033 0.000 0.893 137 N CB -0.051 38.427 38.487 -0.014 0.000 0.980 137 N HN 0.300 nan 8.380 nan 0.000 0.439 138 V N -0.437 119.473 119.914 -0.006 0.000 2.391 138 V HA 0.195 4.315 4.120 -0.000 0.000 0.237 138 V C 1.515 177.617 176.094 0.013 0.000 1.046 138 V CA 1.210 63.517 62.300 0.011 0.000 1.053 138 V CB -1.050 30.790 31.823 0.028 0.000 0.704 138 V HN 0.336 nan 8.190 nan 0.000 0.475 139 G N 1.924 110.733 108.800 0.015 0.000 2.203 139 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.263 139 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.263 139 G C 0.403 175.322 174.900 0.032 0.000 1.012 139 G CA 0.583 45.696 45.100 0.022 0.000 0.749 139 G HN 0.946 nan 8.290 nan 0.000 0.512 140 S N -1.083 114.641 115.700 0.041 0.000 2.566 140 S HA 0.341 4.811 4.470 -0.000 0.000 0.280 140 S C 1.508 176.134 174.600 0.043 0.000 1.343 140 S CA 0.634 58.858 58.200 0.039 0.000 1.036 140 S CB 1.412 64.638 63.200 0.044 0.000 0.866 140 S HN 0.738 nan 8.310 nan 0.000 0.526 141 R N 1.590 122.107 120.500 0.028 0.000 2.117 141 R HA -0.150 4.190 4.340 -0.000 0.000 0.243 141 R C 1.758 178.076 176.300 0.029 0.000 1.143 141 R CA 2.214 58.328 56.100 0.023 0.000 0.968 141 R CB -0.907 29.399 30.300 0.012 0.000 0.863 141 R HN 0.846 nan 8.270 nan 0.000 0.444 142 E N -0.076 120.143 120.200 0.032 0.000 2.070 142 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 142 E C 1.947 178.577 176.600 0.049 0.000 1.004 142 E CA 2.287 58.706 56.400 0.031 0.000 0.805 142 E CB -0.200 29.521 29.700 0.036 0.000 0.744 142 E HN 0.417 nan 8.360 nan 0.000 0.451 143 M N -0.344 119.323 119.600 0.112 0.000 2.098 143 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 143 M C 2.439 178.865 176.300 0.210 0.000 1.072 143 M CA 1.290 56.734 55.300 0.240 0.000 1.133 143 M CB -0.460 32.305 32.600 0.274 0.000 1.344 143 M HN 0.177 nan 8.290 nan 0.000 0.414 144 A N 0.869 123.768 122.820 0.131 0.000 1.929 144 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 144 A C 1.958 179.573 177.584 0.053 0.000 1.211 144 A CA 2.327 54.420 52.037 0.093 0.000 0.657 144 A CB -1.012 18.019 19.000 0.052 0.000 0.827 144 A HN 0.596 nan 8.150 nan 0.000 0.462 145 E N -0.978 119.228 120.200 0.011 0.000 2.110 145 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 145 E C 2.286 178.817 176.600 -0.114 0.000 0.988 145 E CA 1.017 57.395 56.400 -0.036 0.000 0.804 145 E CB -0.243 29.435 29.700 -0.036 0.000 0.745 145 E HN 0.671 nan 8.360 nan 0.000 0.458 146 A N -0.131 122.550 122.820 -0.232 0.000 2.021 146 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 146 A C 1.407 178.565 177.584 -0.710 0.000 1.163 146 A CA 0.751 52.442 52.037 -0.577 0.000 0.676 146 A CB -0.073 18.369 19.000 -0.930 0.000 0.818 146 A HN 0.188 nan 8.150 nan 0.000 0.453 147 F N -2.032 117.921 119.950 0.005 0.000 2.817 147 F HA 0.375 4.902 4.527 -0.000 0.000 0.333 147 F C 2.216 178.009 175.800 -0.012 0.000 1.085 147 F CA 0.064 58.062 58.000 -0.002 0.000 1.170 147 F CB 0.008 39.006 39.000 -0.004 0.000 1.066 147 F HN 0.145 nan 8.300 nan 0.000 0.564 148 A N 0.977 123.878 122.820 0.134 0.000 2.009 148 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 148 A C 2.477 180.092 177.584 0.052 0.000 1.175 148 A CA 2.264 54.348 52.037 0.078 0.000 0.651 148 A CB -1.439 17.598 19.000 0.062 0.000 0.815 148 A HN 0.437 nan 8.150 nan 0.000 0.459 149 G N -1.344 107.487 108.800 0.053 0.000 2.403 149 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 149 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 149 G C 1.445 176.368 174.900 0.038 0.000 1.154 149 G CA 0.948 46.075 45.100 0.046 0.000 0.784 149 G HN 0.642 nan 8.290 nan 0.000 0.538 150 E N -0.385 119.851 120.200 0.061 0.000 2.364 150 E HA 0.135 4.485 4.350 -0.000 0.000 0.196 150 E C 2.390 178.996 176.600 0.009 0.000 0.990 150 E CA -0.351 56.083 56.400 0.056 0.000 0.886 150 E CB 0.184 29.952 29.700 0.114 0.000 0.866 150 E HN 0.247 nan 8.360 nan 0.000 0.493 151 I N 1.632 122.196 120.570 -0.010 0.000 2.226 151 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 151 I C -0.771 175.244 176.117 -0.170 0.000 1.100 151 I CA 1.345 62.600 61.300 -0.075 0.000 1.374 151 I CB -2.241 35.712 38.000 -0.078 0.000 1.057 151 I HN 0.040 nan 8.210 nan 0.000 0.413 152 P HA -0.156 nan 4.420 nan 0.000 0.213 152 P C 1.666 178.835 177.300 -0.218 0.000 1.170 152 P CA 1.550 64.350 63.100 -0.500 0.000 0.898 152 P CB -0.139 31.026 31.700 -0.893 0.000 0.787 153 K N -0.623 119.716 120.400 -0.102 0.000 2.127 153 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 153 K C 2.043 178.641 176.600 -0.004 0.000 1.050 153 K CA 1.606 57.890 56.287 -0.005 0.000 0.929 153 K CB -0.813 31.700 32.500 0.022 0.000 0.715 153 K HN 0.205 nan 8.250 nan 0.000 0.457 154 I N 0.275 120.830 120.570 -0.026 0.000 2.162 154 I HA -0.255 3.915 4.170 -0.000 0.000 0.238 154 I C 2.307 178.411 176.117 -0.022 0.000 1.076 154 I CA 0.506 61.796 61.300 -0.018 0.000 1.353 154 I CB -0.355 37.629 38.000 -0.026 0.000 1.063 154 I HN 0.084 nan 8.210 nan 0.000 0.408 155 L N 1.320 122.511 121.223 -0.053 0.000 2.010 155 L HA -0.218 4.122 4.340 -0.000 0.000 0.219 155 L C 2.494 179.366 176.870 0.004 0.000 1.077 155 L CA 2.379 57.193 54.840 -0.045 0.000 0.773 155 L CB -0.716 41.286 42.059 -0.095 0.000 0.892 155 L HN 0.298 nan 8.230 nan 0.000 0.436 156 V N -2.519 117.412 119.914 0.028 0.000 2.788 156 V HA 0.276 4.396 4.120 -0.000 0.000 0.251 156 V C 1.520 177.656 176.094 0.070 0.000 1.068 156 V CA 0.228 62.579 62.300 0.084 0.000 1.090 156 V CB -1.929 29.984 31.823 0.149 0.000 0.710 156 V HN 0.462 nan 8.190 nan 0.000 0.467 157 A N 1.329 124.178 122.820 0.048 0.000 2.587 157 A HA 0.418 4.738 4.320 -0.000 0.000 0.233 157 A C 1.722 179.330 177.584 0.040 0.000 1.049 157 A CA 0.665 52.727 52.037 0.042 0.000 0.754 157 A CB -0.088 18.930 19.000 0.030 0.000 0.977 157 A HN 0.662 nan 8.150 nan 0.000 0.509 158 G N 0.734 109.558 108.800 0.041 0.000 2.403 158 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 158 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 158 G C 0.893 175.810 174.900 0.029 0.000 1.154 158 G CA 1.089 46.214 45.100 0.041 0.000 0.784 158 G HN 0.908 nan 8.290 nan 0.000 0.538 159 D N 0.496 120.910 120.400 0.022 0.000 2.355 159 D HA -0.025 4.614 4.640 -0.000 0.000 0.218 159 D C 0.391 176.694 176.300 0.005 0.000 1.004 159 D CA 0.223 54.231 54.000 0.014 0.000 0.880 159 D CB -0.687 40.121 40.800 0.014 0.000 0.911 159 D HN 0.098 nan 8.370 nan 0.000 0.528 160 T N 2.349 116.906 114.554 0.004 0.000 2.928 160 T HA 0.058 4.408 4.350 -0.000 0.000 0.305 160 T C 0.942 175.630 174.700 -0.021 0.000 1.035 160 T CA -0.381 61.715 62.100 -0.008 0.000 1.145 160 T CB 0.779 69.642 68.868 -0.008 0.000 0.963 160 T HN 0.024 nan 8.240 nan 0.000 0.545 161 M N 2.762 122.342 119.600 -0.032 0.000 2.252 161 M HA 0.007 4.487 4.480 -0.000 0.000 0.329 161 M C 1.150 177.403 176.300 -0.078 0.000 1.101 161 M CA -0.029 55.240 55.300 -0.050 0.000 1.117 161 M CB 0.146 32.712 32.600 -0.055 0.000 1.563 161 M HN 0.598 nan 8.290 nan 0.000 0.445 162 D N 0.825 121.156 120.400 -0.116 0.000 2.117 162 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 162 D C 1.955 178.110 176.300 -0.242 0.000 0.987 162 D CA 1.791 55.657 54.000 -0.223 0.000 0.829 162 D CB -0.050 40.529 40.800 -0.369 0.000 0.961 162 D HN 0.762 nan 8.370 nan 0.000 0.460 163 S N -0.105 115.490 115.700 -0.174 0.000 2.382 163 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 163 S C 2.111 176.674 174.600 -0.062 0.000 1.027 163 S CA 1.131 59.265 58.200 -0.109 0.000 0.991 163 S CB -0.395 62.763 63.200 -0.071 0.000 0.823 163 S HN 0.085 nan 8.310 nan 0.000 0.469 164 V N 1.634 121.512 119.914 -0.060 0.000 2.407 164 V HA -0.028 4.092 4.120 -0.000 0.000 0.245 164 V C 2.720 178.789 176.094 -0.042 0.000 1.041 164 V CA 1.686 63.965 62.300 -0.035 0.000 1.040 164 V CB -0.696 31.107 31.823 -0.033 0.000 0.671 164 V HN 0.456 nan 8.190 nan 0.000 0.455 165 K N -0.196 120.169 120.400 -0.058 0.000 2.034 165 K HA -0.294 4.026 4.320 -0.000 0.000 0.214 165 K C 2.336 178.902 176.600 -0.056 0.000 1.051 165 K CA 2.155 58.410 56.287 -0.054 0.000 0.931 165 K CB -0.262 32.203 32.500 -0.059 0.000 0.715 165 K HN 0.501 nan 8.250 nan 0.000 0.446 166 Q N -0.066 119.694 119.800 -0.067 0.000 2.029 166 Q HA -0.199 4.140 4.340 -0.000 0.000 0.209 166 Q C 2.306 178.280 176.000 -0.044 0.000 0.999 166 Q CA 2.153 57.928 55.803 -0.047 0.000 0.857 166 Q CB -0.179 28.537 28.738 -0.036 0.000 0.926 166 Q HN 0.239 nan 8.270 nan 0.000 0.415 167 S N 0.294 115.979 115.700 -0.024 0.000 2.383 167 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 167 S C 1.991 176.547 174.600 -0.073 0.000 1.026 167 S CA 0.835 59.010 58.200 -0.042 0.000 0.981 167 S CB -0.264 62.983 63.200 0.077 0.000 0.818 167 S HN 0.497 nan 8.310 nan 0.000 0.472 168 A N 1.745 124.531 122.820 -0.058 0.000 1.892 168 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 168 A C 2.351 179.877 177.584 -0.096 0.000 1.188 168 A CA 1.917 53.909 52.037 -0.075 0.000 0.631 168 A CB -1.162 17.797 19.000 -0.068 0.000 0.822 168 A HN 0.528 nan 8.150 nan 0.000 0.447 169 A N -0.359 122.409 122.820 -0.087 0.000 1.858 169 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 169 A C 2.063 179.590 177.584 -0.095 0.000 1.190 169 A CA 1.474 53.456 52.037 -0.092 0.000 0.617 169 A CB -0.615 18.343 19.000 -0.070 0.000 0.827 169 A HN 0.461 nan 8.150 nan 0.000 0.443 170 L N -0.851 120.315 121.223 -0.094 0.000 2.456 170 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 170 L C 2.561 179.366 176.870 -0.108 0.000 1.148 170 L CA 0.673 55.452 54.840 -0.101 0.000 0.825 170 L CB -0.657 41.333 42.059 -0.115 0.000 0.937 170 L HN 0.693 nan 8.230 nan 0.000 0.450 171 C N -0.228 119.005 119.300 -0.111 0.000 2.522 171 C HA -0.057 4.403 4.460 -0.000 0.000 0.280 171 C C 2.629 177.578 174.990 -0.069 0.000 1.303 171 C CA 0.043 58.999 59.018 -0.103 0.000 1.709 171 C CB -0.437 27.237 27.740 -0.109 0.000 2.071 171 C HN 0.471 nan 8.230 nan 0.000 0.492 172 L N 1.109 122.283 121.223 -0.082 0.000 2.081 172 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 172 L C 2.148 179.011 176.870 -0.011 0.000 1.080 172 L CA 1.818 56.614 54.840 -0.073 0.000 0.754 172 L CB -1.111 40.852 42.059 -0.160 0.000 0.893 172 L HN 0.382 nan 8.230 nan 0.000 0.433 173 L N -0.637 120.568 121.223 -0.031 0.000 2.131 173 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 173 L C 2.643 179.544 176.870 0.051 0.000 1.092 173 L CA 1.637 56.477 54.840 0.000 0.000 0.759 173 L CB -0.641 41.389 42.059 -0.049 0.000 0.903 173 L HN 0.307 nan 8.230 nan 0.000 0.435 174 R N -0.451 120.057 120.500 0.014 0.000 2.090 174 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 174 R C 2.033 178.361 176.300 0.046 0.000 1.110 174 R CA 1.627 57.739 56.100 0.019 0.000 0.973 174 R CB -0.783 29.507 30.300 -0.017 0.000 0.869 174 R HN 0.445 nan 8.270 nan 0.000 0.440 175 L N -0.583 120.670 121.223 0.050 0.000 2.141 175 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 175 L C 2.097 179.026 176.870 0.097 0.000 1.094 175 L CA 1.358 56.236 54.840 0.063 0.000 0.763 175 L CB -0.514 41.578 42.059 0.055 0.000 0.908 175 L HN 0.248 nan 8.230 nan 0.000 0.437 176 Y N 0.727 121.035 120.300 0.014 0.000 2.373 176 Y HA -0.096 4.454 4.550 0.000 0.000 0.293 176 Y C 2.572 178.490 175.900 0.030 0.000 1.129 176 Y CA 1.102 59.226 58.100 0.039 0.000 1.226 176 Y CB 0.074 38.567 38.460 0.055 0.000 1.000 176 Y HN -0.023 nan 8.280 nan 0.000 0.549 177 R N -1.202 119.401 120.500 0.172 0.000 2.240 177 R HA -0.008 4.332 4.340 -0.000 0.000 0.203 177 R C 1.821 178.124 176.300 0.006 0.000 1.011 177 R CA 1.286 57.437 56.100 0.085 0.000 1.007 177 R CB -0.101 30.257 30.300 0.097 0.000 0.911 177 R HN 0.240 nan 8.270 nan 0.000 0.468 178 T N -0.136 114.421 114.554 0.005 0.000 2.866 178 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 178 T C 0.532 175.216 174.700 -0.027 0.000 1.033 178 T CA 0.848 62.946 62.100 -0.004 0.000 1.145 178 T CB 0.287 69.163 68.868 0.014 0.000 0.866 178 T HN 0.055 nan 8.240 nan 0.000 0.434 179 S N 1.439 117.114 115.700 -0.042 0.000 2.293 179 S HA 0.324 4.794 4.470 -0.000 0.000 0.154 179 S C -2.395 172.141 174.600 -0.108 0.000 1.602 179 S CA -0.842 57.326 58.200 -0.055 0.000 1.260 179 S CB 1.634 64.824 63.200 -0.016 0.000 1.270 179 S HN 0.130 nan 8.310 nan 0.000 0.416 180 P HA -0.182 nan 4.420 nan 0.000 0.218 180 P C 1.192 178.381 177.300 -0.185 0.000 1.146 180 P CA 1.218 64.067 63.100 -0.418 0.000 0.813 180 P CB 0.028 31.427 31.700 -0.501 0.000 0.778 181 D N 0.155 120.498 120.400 -0.095 0.000 2.092 181 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 181 D C 1.983 178.292 176.300 0.015 0.000 0.994 181 D CA 1.098 55.081 54.000 -0.027 0.000 0.828 181 D CB -1.109 39.680 40.800 -0.019 0.000 0.963 181 D HN 0.219 nan 8.370 nan 0.000 0.450 182 L N 0.797 122.029 121.223 0.016 0.000 2.353 182 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 182 L C 0.497 177.425 176.870 0.097 0.000 1.133 182 L CA 0.396 55.264 54.840 0.047 0.000 0.798 182 L CB 0.054 42.133 42.059 0.034 0.000 0.922 182 L HN -0.095 nan 8.230 nan 0.000 0.445 183 V N -0.227 119.763 119.914 0.125 0.000 2.334 183 V HA 0.240 4.360 4.120 -0.000 0.000 0.267 183 V C -1.766 174.511 176.094 0.305 0.000 1.040 183 V CA -1.601 60.850 62.300 0.252 0.000 0.866 183 V CB 0.248 32.276 31.823 0.342 0.000 1.019 183 V HN 0.008 nan 8.190 nan 0.000 0.468 184 P HA 0.373 nan 4.420 nan 0.000 0.339 184 P C 0.015 177.472 177.300 0.261 0.000 1.376 184 P CA -0.173 63.077 63.100 0.249 0.000 0.797 184 P CB 0.407 32.239 31.700 0.219 0.000 1.872 185 M N -1.326 118.285 119.600 0.020 0.000 3.731 185 M HA 0.279 4.759 4.480 -0.000 0.000 0.442 185 M C 0.577 176.543 176.300 -0.558 0.000 1.776 185 M CA -0.412 54.719 55.300 -0.282 0.000 0.646 185 M CB -0.153 32.349 32.600 -0.163 0.000 1.439 185 M HN 0.297 nan 8.290 nan 0.000 0.523 186 G N 1.738 110.155 108.800 -0.638 0.000 2.268 186 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.330 186 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.330 186 G C 0.529 175.040 174.900 -0.648 0.000 1.413 186 G CA 0.802 45.587 45.100 -0.525 0.000 1.094 186 G HN 0.584 nan 8.290 nan 0.000 0.581 187 D N -1.762 118.422 120.400 -0.360 0.000 2.323 187 D HA -0.096 4.544 4.640 -0.000 0.000 0.209 187 D C 2.029 178.264 176.300 -0.108 0.000 0.973 187 D CA 0.959 54.848 54.000 -0.184 0.000 0.874 187 D CB -0.394 40.386 40.800 -0.034 0.000 0.930 187 D HN 0.703 nan 8.370 nan 0.000 0.521 188 W N 1.077 122.404 121.300 0.046 0.000 2.421 188 W HA -0.043 4.617 4.660 -0.000 0.000 0.270 188 W C 0.863 177.438 176.519 0.092 0.000 1.233 188 W CA 0.715 58.098 57.345 0.064 0.000 1.226 188 W CB -1.510 27.992 29.460 0.070 0.000 1.121 188 W HN -0.132 nan 8.180 nan 0.000 0.579 189 T N 2.719 117.148 114.554 -0.209 0.000 2.505 189 T HA -0.368 3.982 4.350 -0.000 0.000 0.259 189 T C 2.166 176.941 174.700 0.124 0.000 1.158 189 T CA 3.860 65.919 62.100 -0.069 0.000 1.190 189 T CB -0.875 67.748 68.868 -0.408 0.000 0.864 189 T HN 0.391 nan 8.240 nan 0.000 0.413 190 S N 1.117 116.823 115.700 0.010 0.000 2.440 190 S HA -0.084 4.386 4.470 -0.000 0.000 0.238 190 S C 1.875 176.551 174.600 0.127 0.000 1.010 190 S CA 0.977 59.209 58.200 0.054 0.000 0.972 190 S CB -0.371 62.822 63.200 -0.012 0.000 0.774 190 S HN 0.409 nan 8.310 nan 0.000 0.501 191 R N -0.068 120.524 120.500 0.154 0.000 2.317 191 R HA 0.295 4.635 4.340 -0.000 0.000 0.208 191 R C 1.320 177.769 176.300 0.249 0.000 0.914 191 R CA 0.292 56.505 56.100 0.188 0.000 1.060 191 R CB 0.093 30.481 30.300 0.147 0.000 1.015 191 R HN 0.363 nan 8.270 nan 0.000 0.498 192 V N -0.403 119.682 119.914 0.285 0.000 2.685 192 V HA -0.108 4.012 4.120 -0.000 0.000 0.244 192 V C 2.098 178.315 176.094 0.205 0.000 1.054 192 V CA 0.879 63.332 62.300 0.254 0.000 1.076 192 V CB 0.350 32.376 31.823 0.338 0.000 0.725 192 V HN 0.023 nan 8.190 nan 0.000 0.467 193 V N 0.380 120.444 119.914 0.249 0.000 2.324 193 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 193 V C 2.430 178.623 176.094 0.165 0.000 1.060 193 V CA 2.673 65.098 62.300 0.208 0.000 1.042 193 V CB -0.938 31.027 31.823 0.237 0.000 0.650 193 V HN 0.747 nan 8.190 nan 0.000 0.450 194 H N -0.341 118.783 119.070 0.089 0.000 2.489 194 H HA -0.054 4.502 4.556 -0.000 0.000 0.293 194 H C 1.900 177.260 175.328 0.054 0.000 1.066 194 H CA 1.233 57.318 56.048 0.062 0.000 1.305 194 H CB -0.257 29.541 29.762 0.059 0.000 1.386 194 H HN 0.374 nan 8.280 nan 0.000 0.551 195 L N -0.060 121.181 121.223 0.030 0.000 2.353 195 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 195 L C 1.903 178.730 176.870 -0.073 0.000 1.133 195 L CA 0.411 55.232 54.840 -0.031 0.000 0.798 195 L CB -0.198 41.879 42.059 0.030 0.000 0.922 195 L HN 0.394 nan 8.230 nan 0.000 0.445 196 L N -0.495 120.691 121.223 -0.063 0.000 2.201 196 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 196 L C 1.505 178.323 176.870 -0.086 0.000 1.105 196 L CA 0.721 55.529 54.840 -0.054 0.000 0.775 196 L CB -0.400 41.645 42.059 -0.022 0.000 0.913 196 L HN 0.365 nan 8.230 nan 0.000 0.440 197 N N -0.719 117.886 118.700 -0.158 0.000 2.383 197 N HA -0.027 4.713 4.740 -0.000 0.000 0.192 197 N C 0.324 175.748 175.510 -0.145 0.000 1.141 197 N CA 0.206 53.159 53.050 -0.162 0.000 0.851 197 N CB -0.226 38.128 38.487 -0.222 0.000 0.976 197 N HN 0.279 nan 8.380 nan 0.000 0.465 198 D N 0.782 121.109 120.400 -0.122 0.000 2.400 198 D HA -0.070 4.570 4.640 -0.000 0.000 0.238 198 D C 0.935 177.227 176.300 -0.014 0.000 1.157 198 D CA 0.165 54.131 54.000 -0.057 0.000 0.889 198 D CB 1.380 42.170 40.800 -0.016 0.000 1.199 198 D HN 0.111 nan 8.370 nan 0.000 0.436 199 Q N 1.758 121.571 119.800 0.022 0.000 2.020 199 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 199 Q C 0.326 176.362 176.000 0.059 0.000 0.982 199 Q CA 1.004 56.830 55.803 0.038 0.000 0.838 199 Q CB -0.068 28.704 28.738 0.057 0.000 0.899 199 Q HN 0.570 nan 8.270 nan 0.000 0.423 200 H N 0.333 119.405 119.070 0.003 0.000 2.975 200 H HA 0.015 4.571 4.556 -0.000 0.000 0.303 200 H C 1.016 176.311 175.328 -0.055 0.000 1.023 200 H CA -0.080 55.981 56.048 0.022 0.000 1.473 200 H CB 0.478 30.263 29.762 0.038 0.000 1.498 200 H HN 0.227 nan 8.280 nan 0.000 0.549 201 L N 3.796 124.805 121.223 -0.356 0.000 2.141 201 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 201 L C 2.438 179.078 176.870 -0.383 0.000 1.094 201 L CA 1.213 55.746 54.840 -0.510 0.000 0.763 201 L CB -0.481 40.960 42.059 -1.030 0.000 0.908 201 L HN 0.919 nan 8.230 nan 0.000 0.437 202 G N -0.788 107.903 108.800 -0.181 0.000 2.471 202 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 202 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 202 G C 1.589 176.634 174.900 0.241 0.000 1.125 202 G CA 0.505 45.737 45.100 0.220 0.000 0.775 202 G HN 0.185 nan 8.290 nan 0.000 0.548 203 V N 0.477 120.604 119.914 0.357 0.000 2.307 203 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 203 V C 2.993 179.105 176.094 0.030 0.000 1.045 203 V CA 1.390 63.748 62.300 0.097 0.000 1.024 203 V CB -0.232 31.629 31.823 0.064 0.000 0.651 203 V HN 0.249 nan 8.190 nan 0.000 0.449 204 V N -0.232 119.685 119.914 0.006 0.000 2.287 204 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 204 V C 2.571 178.642 176.094 -0.038 0.000 1.053 204 V CA 2.717 64.995 62.300 -0.037 0.000 1.027 204 V CB -1.056 30.723 31.823 -0.073 0.000 0.646 204 V HN 0.593 nan 8.190 nan 0.000 0.447 205 T N 0.007 114.534 114.554 -0.045 0.000 2.788 205 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 205 T C 1.956 176.643 174.700 -0.022 0.000 1.044 205 T CA 1.614 63.696 62.100 -0.030 0.000 1.139 205 T CB -0.301 68.552 68.868 -0.024 0.000 0.867 205 T HN 0.590 nan 8.240 nan 0.000 0.454 206 A N 1.052 123.863 122.820 -0.016 0.000 1.898 206 A HA 0.394 4.714 4.320 -0.000 0.000 0.214 206 A C 2.607 180.166 177.584 -0.042 0.000 1.183 206 A CA 1.370 53.389 52.037 -0.030 0.000 0.622 206 A CB -0.940 18.044 19.000 -0.027 0.000 0.824 206 A HN 0.465 nan 8.150 nan 0.000 0.444 207 A N -0.843 121.957 122.820 -0.033 0.000 1.933 207 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 207 A C 2.226 179.776 177.584 -0.056 0.000 1.175 207 A CA 2.270 54.286 52.037 -0.035 0.000 0.628 207 A CB -1.120 17.872 19.000 -0.014 0.000 0.814 207 A HN 0.398 nan 8.150 nan 0.000 0.444 208 T N -0.278 114.246 114.554 -0.050 0.000 2.951 208 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 208 T C 2.166 176.822 174.700 -0.074 0.000 1.073 208 T CA 1.413 63.480 62.100 -0.055 0.000 1.134 208 T CB -0.147 68.699 68.868 -0.036 0.000 0.884 208 T HN 0.504 nan 8.240 nan 0.000 0.479 209 S N 1.393 117.051 115.700 -0.070 0.000 2.387 209 S HA 0.037 4.507 4.470 -0.000 0.000 0.226 209 S C 1.863 176.394 174.600 -0.116 0.000 1.026 209 S CA 0.401 58.554 58.200 -0.078 0.000 0.972 209 S CB -0.344 62.819 63.200 -0.062 0.000 0.814 209 S HN 0.235 nan 8.310 nan 0.000 0.477 210 L N 1.930 123.078 121.223 -0.126 0.000 2.056 210 L HA 0.113 4.452 4.340 -0.000 0.000 0.207 210 L C 1.850 178.555 176.870 -0.275 0.000 1.078 210 L CA 1.560 56.297 54.840 -0.172 0.000 0.749 210 L CB -0.517 41.464 42.059 -0.130 0.000 0.901 210 L HN 0.269 nan 8.230 nan 0.000 0.433 211 I N -1.373 119.038 120.570 -0.265 0.000 2.546 211 I HA -0.222 3.948 4.170 -0.000 0.000 0.255 211 I C 1.950 177.845 176.117 -0.371 0.000 1.163 211 I CA 1.214 62.262 61.300 -0.419 0.000 1.457 211 I CB -0.359 37.490 38.000 -0.253 0.000 1.092 211 I HN 0.234 nan 8.210 nan 0.000 0.434 212 T N -0.522 113.897 114.554 -0.225 0.000 2.985 212 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 212 T C 1.845 176.435 174.700 -0.184 0.000 1.076 212 T CA 1.426 63.422 62.100 -0.173 0.000 1.135 212 T CB -0.029 68.771 68.868 -0.112 0.000 0.890 212 T HN 0.285 nan 8.240 nan 0.000 0.480 213 T N 1.881 116.309 114.554 -0.210 0.000 3.014 213 T HA 0.251 4.601 4.350 -0.000 0.000 0.263 213 T C 1.865 176.384 174.700 -0.302 0.000 1.078 213 T CA 0.355 62.341 62.100 -0.190 0.000 1.135 213 T CB -0.068 68.715 68.868 -0.142 0.000 0.895 213 T HN 0.235 nan 8.240 nan 0.000 0.480 214 L N 0.852 121.803 121.223 -0.454 0.000 2.068 214 L HA 0.071 4.411 4.340 -0.000 0.000 0.204 214 L C 3.082 179.898 176.870 -0.090 0.000 1.076 214 L CA 1.092 55.669 54.840 -0.438 0.000 0.753 214 L CB -0.784 40.947 42.059 -0.547 0.000 0.910 214 L HN 0.205 nan 8.230 nan 0.000 0.439 215 A N -0.383 122.326 122.820 -0.185 0.000 2.032 215 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 215 A C 2.111 179.697 177.584 0.004 0.000 1.165 215 A CA 1.529 53.613 52.037 0.078 0.000 0.645 215 A CB -0.496 18.474 19.000 -0.049 0.000 0.807 215 A HN 0.532 nan 8.150 nan 0.000 0.453 216 Q N -1.201 118.575 119.800 -0.040 0.000 2.488 216 Q HA -0.025 4.315 4.340 -0.000 0.000 0.211 216 Q C 0.765 176.796 176.000 0.052 0.000 0.967 216 Q CA 1.042 56.832 55.803 -0.021 0.000 0.926 216 Q CB 0.047 28.773 28.738 -0.020 0.000 0.992 216 Q HN 0.686 nan 8.270 nan 0.000 0.506 217 K N -0.669 119.799 120.400 0.115 0.000 2.554 217 K HA 0.170 4.490 4.320 -0.000 0.000 0.211 217 K C -0.100 176.600 176.600 0.167 0.000 1.226 217 K CA -0.026 56.349 56.287 0.146 0.000 1.025 217 K CB 0.986 33.608 32.500 0.202 0.000 1.021 217 K HN -0.022 nan 8.250 nan 0.000 0.600 218 N N 1.112 119.933 118.700 0.202 0.000 2.622 218 N HA 0.126 4.866 4.740 -0.000 0.000 0.304 218 N C -2.567 173.082 175.510 0.233 0.000 1.844 218 N CA -0.952 52.217 53.050 0.199 0.000 0.886 218 N CB 1.347 39.983 38.487 0.249 0.000 1.366 218 N HN -0.120 nan 8.380 nan 0.000 0.491 219 P HA -0.139 nan 4.420 nan 0.000 0.216 219 P C 1.284 178.781 177.300 0.328 0.000 1.150 219 P CA 1.407 64.660 63.100 0.255 0.000 0.843 219 P CB 0.532 32.324 31.700 0.153 0.000 0.787 220 E N -0.596 119.694 120.200 0.149 0.000 2.158 220 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 220 E C 1.965 178.539 176.600 -0.043 0.000 0.982 220 E CA 0.865 57.305 56.400 0.067 0.000 0.823 220 E CB -0.563 29.150 29.700 0.022 0.000 0.766 220 E HN 0.373 nan 8.360 nan 0.000 0.468 221 E N -0.529 119.563 120.200 -0.179 0.000 2.204 221 E HA -0.094 4.255 4.350 -0.000 0.000 0.194 221 E C 0.681 176.927 176.600 -0.589 0.000 0.989 221 E CA 0.809 56.907 56.400 -0.502 0.000 0.824 221 E CB -0.002 29.188 29.700 -0.850 0.000 0.756 221 E HN 0.193 nan 8.360 nan 0.000 0.477 222 F N -0.815 119.192 119.950 0.094 0.000 2.688 222 F HA 0.293 4.820 4.527 -0.000 0.000 0.310 222 F C 1.486 177.327 175.800 0.068 0.000 1.098 222 F CA -0.442 57.627 58.000 0.115 0.000 1.228 222 F CB 0.389 39.493 39.000 0.173 0.000 1.042 222 F HN -0.158 nan 8.300 nan 0.000 0.557 223 K N 0.692 121.135 120.400 0.071 0.000 2.442 223 K HA -0.133 4.187 4.320 -0.000 0.000 0.199 223 K C 1.186 177.650 176.600 -0.228 0.000 1.044 223 K CA 1.579 57.690 56.287 -0.293 0.000 0.941 223 K CB -0.151 32.252 32.500 -0.160 0.000 0.759 223 K HN 0.237 nan 8.250 nan 0.000 0.472 224 T N -0.737 113.780 114.554 -0.062 0.000 3.023 224 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 224 T C 1.765 176.460 174.700 -0.008 0.000 1.093 224 T CA 1.077 63.159 62.100 -0.029 0.000 1.129 224 T CB 0.002 68.880 68.868 0.017 0.000 0.899 224 T HN 0.324 nan 8.240 nan 0.000 0.491 225 S N 1.051 116.764 115.700 0.021 0.000 2.489 225 S HA 0.028 4.498 4.470 -0.000 0.000 0.228 225 S C 1.989 176.594 174.600 0.007 0.000 0.995 225 S CA 0.064 58.298 58.200 0.056 0.000 0.934 225 S CB -0.672 62.611 63.200 0.139 0.000 0.771 225 S HN 0.288 nan 8.310 nan 0.000 0.522 226 V N 2.357 122.217 119.914 -0.089 0.000 2.358 226 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 226 V C 3.062 179.137 176.094 -0.031 0.000 1.047 226 V CA 1.900 64.157 62.300 -0.072 0.000 1.035 226 V CB -1.117 30.597 31.823 -0.182 0.000 0.658 226 V HN 0.747 nan 8.190 nan 0.000 0.452 227 S N -0.368 115.306 115.700 -0.042 0.000 2.400 227 S HA -0.169 4.301 4.470 -0.000 0.000 0.232 227 S C 1.843 176.442 174.600 -0.003 0.000 1.025 227 S CA 1.835 60.023 58.200 -0.019 0.000 0.993 227 S CB -0.266 62.922 63.200 -0.020 0.000 0.808 227 S HN 0.538 nan 8.310 nan 0.000 0.478 228 L N 0.553 121.778 121.223 0.003 0.000 2.200 228 L HA 0.298 4.638 4.340 -0.000 0.000 0.200 228 L C 3.108 179.980 176.870 0.004 0.000 1.072 228 L CA 0.761 55.605 54.840 0.006 0.000 0.787 228 L CB -0.872 41.194 42.059 0.011 0.000 0.957 228 L HN 0.365 nan 8.230 nan 0.000 0.459 229 A N -0.053 122.774 122.820 0.011 0.000 2.032 229 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 229 A C 2.345 179.934 177.584 0.009 0.000 1.165 229 A CA 1.897 53.941 52.037 0.011 0.000 0.645 229 A CB -0.806 18.210 19.000 0.027 0.000 0.807 229 A HN 0.201 nan 8.150 nan 0.000 0.453 230 V N -0.621 119.300 119.914 0.012 0.000 2.255 230 V HA -0.182 3.937 4.120 -0.000 0.000 0.243 230 V C 2.752 178.850 176.094 0.006 0.000 1.038 230 V CA 2.276 64.584 62.300 0.013 0.000 1.008 230 V CB -0.675 31.158 31.823 0.017 0.000 0.645 230 V HN 0.572 nan 8.190 nan 0.000 0.449 231 S N -0.481 115.221 115.700 0.004 0.000 2.420 231 S HA -0.194 4.276 4.470 -0.000 0.000 0.237 231 S C 2.042 176.641 174.600 -0.001 0.000 1.023 231 S CA 1.251 59.452 58.200 0.002 0.000 0.991 231 S CB -0.251 62.950 63.200 0.002 0.000 0.792 231 S HN 0.411 nan 8.310 nan 0.000 0.488 232 R N 0.358 120.855 120.500 -0.005 0.000 2.075 232 R HA 0.219 4.559 4.340 -0.000 0.000 0.220 232 R C 2.253 178.548 176.300 -0.009 0.000 1.118 232 R CA 0.470 56.563 56.100 -0.011 0.000 0.986 232 R CB -1.198 29.089 30.300 -0.021 0.000 0.884 232 R HN 0.337 nan 8.270 nan 0.000 0.439 233 L N 1.305 122.524 121.223 -0.006 0.000 2.127 233 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 233 L C 2.245 179.115 176.870 -0.001 0.000 1.089 233 L CA 1.481 56.318 54.840 -0.005 0.000 0.757 233 L CB -0.370 41.687 42.059 -0.005 0.000 0.899 233 L HN 0.052 nan 8.230 nan 0.000 0.434 234 S N -0.742 114.960 115.700 0.002 0.000 2.345 234 S HA -0.152 4.318 4.470 -0.000 0.000 0.220 234 S C 2.022 176.625 174.600 0.006 0.000 1.031 234 S CA 1.269 59.472 58.200 0.005 0.000 0.996 234 S CB -0.151 63.052 63.200 0.005 0.000 0.882 234 S HN 0.440 nan 8.310 nan 0.000 0.445 235 R N 0.170 120.673 120.500 0.004 0.000 2.237 235 R HA 0.129 4.468 4.340 -0.000 0.000 0.219 235 R C 1.957 178.263 176.300 0.010 0.000 1.080 235 R CA 0.763 56.867 56.100 0.007 0.000 0.995 235 R CB -0.203 30.099 30.300 0.003 0.000 0.875 235 R HN 0.423 nan 8.270 nan 0.000 0.462 236 I N -0.040 120.535 120.570 0.008 0.000 2.296 236 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 236 I C 1.919 178.050 176.117 0.024 0.000 1.087 236 I CA 0.880 62.188 61.300 0.014 0.000 1.393 236 I CB -0.009 37.994 38.000 0.005 0.000 1.093 236 I HN -0.001 nan 8.210 nan 0.000 0.421 237 V N -1.587 118.338 119.914 0.017 0.000 3.510 237 V HA -0.050 4.070 4.120 -0.000 0.000 0.270 237 V C 1.860 177.968 176.094 0.023 0.000 1.201 237 V CA 1.237 63.549 62.300 0.020 0.000 1.166 237 V CB -1.820 30.009 31.823 0.010 0.000 0.825 237 V HN 0.527 nan 8.190 nan 0.000 0.484 238 T N -0.572 113.994 114.554 0.021 0.000 3.207 238 T HA 0.066 4.415 4.350 -0.000 0.000 0.229 238 T C 1.108 175.825 174.700 0.028 0.000 0.999 238 T CA 0.745 62.858 62.100 0.021 0.000 1.386 238 T CB -1.089 67.789 68.868 0.016 0.000 1.130 238 T HN 0.683 nan 8.240 nan 0.000 0.435 239 S N 2.853 118.571 115.700 0.029 0.000 2.784 239 S HA 0.416 4.886 4.470 -0.000 0.000 0.322 239 S C 0.895 175.524 174.600 0.048 0.000 1.234 239 S CA -0.462 57.759 58.200 0.035 0.000 1.064 239 S CB -0.220 63.000 63.200 0.034 0.000 0.787 239 S HN 0.851 nan 8.310 nan 0.000 0.506 240 A N 4.132 126.980 122.820 0.047 0.000 2.847 240 A HA 0.257 4.577 4.320 -0.000 0.000 0.194 240 A C 1.979 179.616 177.584 0.087 0.000 1.893 240 A CA 0.597 52.669 52.037 0.059 0.000 0.983 240 A CB -1.034 17.990 19.000 0.040 0.000 1.762 240 A HN 0.790 nan 8.150 nan 0.000 0.802 241 S N -1.087 114.672 115.700 0.098 0.000 2.446 241 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 241 S C 1.990 176.661 174.600 0.118 0.000 1.016 241 S CA 1.388 59.676 58.200 0.147 0.000 0.943 241 S CB -0.399 62.922 63.200 0.202 0.000 0.786 241 S HN 0.914 nan 8.310 nan 0.000 0.508 242 T N 0.220 114.824 114.554 0.083 0.000 2.942 242 T HA 0.018 4.368 4.350 -0.000 0.000 0.265 242 T C 0.622 175.358 174.700 0.061 0.000 1.062 242 T CA 0.450 62.590 62.100 0.066 0.000 1.139 242 T CB -0.299 68.597 68.868 0.048 0.000 0.883 242 T HN 0.107 nan 8.240 nan 0.000 0.468 243 D N 1.734 122.171 120.400 0.061 0.000 2.314 243 D HA 0.198 4.838 4.640 -0.000 0.000 0.252 243 D C 1.035 177.381 176.300 0.077 0.000 1.295 243 D CA -0.496 53.540 54.000 0.060 0.000 0.995 243 D CB -0.011 40.820 40.800 0.052 0.000 1.125 243 D HN 0.313 nan 8.370 nan 0.000 0.537 244 L N -0.161 121.111 121.223 0.081 0.000 4.191 244 L HA -0.318 4.022 4.340 -0.000 0.000 0.480 244 L C 1.641 178.589 176.870 0.130 0.000 1.095 244 L CA 0.192 55.101 54.840 0.116 0.000 0.747 244 L CB -1.500 40.631 42.059 0.121 0.000 1.700 244 L HN 0.386 nan 8.230 nan 0.000 0.835 245 Q N 0.765 120.620 119.800 0.092 0.000 1.935 245 Q HA -0.256 4.084 4.340 -0.000 0.000 0.212 245 Q C 1.523 177.552 176.000 0.048 0.000 1.008 245 Q CA 2.528 58.370 55.803 0.065 0.000 0.868 245 Q CB -0.013 28.747 28.738 0.038 0.000 0.946 245 Q HN 0.696 nan 8.270 nan 0.000 0.418 246 D N -0.906 119.492 120.400 -0.003 0.000 2.263 246 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 246 D C 1.348 177.521 176.300 -0.212 0.000 0.971 246 D CA 1.167 55.082 54.000 -0.142 0.000 0.867 246 D CB -0.140 40.496 40.800 -0.274 0.000 0.929 246 D HN 0.381 nan 8.370 nan 0.000 0.492 247 Y N 0.485 120.813 120.300 0.047 0.000 2.466 247 Y HA 0.094 4.643 4.550 -0.000 0.000 0.272 247 Y C 0.793 176.781 175.900 0.148 0.000 1.169 247 Y CA 0.148 58.298 58.100 0.083 0.000 1.285 247 Y CB 0.381 38.868 38.460 0.045 0.000 1.078 247 Y HN -0.278 nan 8.280 nan 0.000 0.523 248 T N 1.405 116.099 114.554 0.232 0.000 2.752 248 T HA -0.005 4.345 4.350 -0.000 0.000 0.295 248 T C -1.089 173.758 174.700 0.246 0.000 0.923 248 T CA 0.036 62.271 62.100 0.224 0.000 1.112 248 T CB -0.275 68.696 68.868 0.172 0.000 0.884 248 T HN 0.158 nan 8.240 nan 0.000 0.525 249 Y N 4.443 124.837 120.300 0.157 0.000 2.388 249 Y HA 0.333 4.883 4.550 -0.000 0.000 0.328 249 Y C -0.473 175.562 175.900 0.224 0.000 0.963 249 Y CA -1.066 57.137 58.100 0.173 0.000 1.240 249 Y CB 0.216 38.799 38.460 0.205 0.000 1.118 249 Y HN 0.675 nan 8.280 nan 0.000 0.484 250 Y N 6.335 126.385 120.300 -0.418 0.000 3.825 250 Y HA -0.377 4.173 4.550 -0.000 0.000 0.221 250 Y C 0.388 176.227 175.900 -0.102 0.000 1.195 250 Y CA 1.232 59.057 58.100 -0.458 0.000 1.699 250 Y CB -2.669 35.567 38.460 -0.375 0.000 1.531 250 Y HN 0.948 nan 8.280 nan 0.000 0.640 251 F N -4.687 115.412 119.950 0.248 0.000 2.255 251 F HA -0.244 4.283 4.527 0.000 0.000 0.393 251 F C 0.163 176.101 175.800 0.229 0.000 0.566 251 F CA 0.176 58.304 58.000 0.213 0.000 1.777 251 F CB -1.403 37.703 39.000 0.176 0.000 2.402 251 F HN -0.148 nan 8.300 nan 0.000 0.264 252 V N 2.520 122.643 119.914 0.347 0.000 2.311 252 V HA 0.289 4.409 4.120 -0.000 0.000 0.275 252 V C -1.845 174.354 176.094 0.175 0.000 1.022 252 V CA -1.541 60.879 62.300 0.200 0.000 0.830 252 V CB 1.029 32.905 31.823 0.089 0.000 1.012 252 V HN -0.155 nan 8.190 nan 0.000 0.452 253 P HA 0.190 nan 4.420 nan 0.000 0.268 253 P C 0.308 177.678 177.300 0.116 0.000 1.282 253 P CA 0.626 63.811 63.100 0.142 0.000 0.880 253 P CB 0.691 32.458 31.700 0.112 0.000 0.971 254 A N 5.173 128.098 122.820 0.175 0.000 2.360 254 A HA -0.135 4.185 4.320 -0.000 0.000 0.289 254 A C -1.473 176.151 177.584 0.066 0.000 1.437 254 A CA -0.074 52.066 52.037 0.171 0.000 0.734 254 A CB -2.147 16.905 19.000 0.087 0.000 1.145 254 A HN 0.363 nan 8.150 nan 0.000 0.374 255 P HA -0.130 nan 4.420 nan 0.000 0.215 255 P C 1.675 178.820 177.300 -0.258 0.000 1.157 255 P CA 1.388 64.321 63.100 -0.279 0.000 0.859 255 P CB -0.109 31.169 31.700 -0.703 0.000 0.786 256 W N -0.352 120.912 121.300 -0.059 0.000 2.354 256 W HA -0.080 4.580 4.660 -0.000 0.000 0.315 256 W C 2.110 178.597 176.519 -0.054 0.000 1.206 256 W CA 0.454 57.760 57.345 -0.065 0.000 1.290 256 W CB -1.395 28.020 29.460 -0.075 0.000 1.152 256 W HN -0.066 nan 8.180 nan 0.000 0.489 257 L N 1.200 122.520 121.223 0.162 0.000 2.043 257 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 257 L C 2.369 179.246 176.870 0.011 0.000 1.075 257 L CA 2.218 57.085 54.840 0.044 0.000 0.752 257 L CB -1.184 40.859 42.059 -0.027 0.000 0.891 257 L HN -0.261 nan 8.230 nan 0.000 0.432 258 S N -1.173 114.526 115.700 -0.003 0.000 2.359 258 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 258 S C 1.962 176.545 174.600 -0.028 0.000 1.035 258 S CA 1.445 59.632 58.200 -0.023 0.000 1.018 258 S CB -0.502 62.676 63.200 -0.037 0.000 0.876 258 S HN 0.360 nan 8.310 nan 0.000 0.448 259 V N 1.767 121.658 119.914 -0.039 0.000 2.594 259 V HA -0.139 3.980 4.120 -0.000 0.000 0.253 259 V C 2.182 178.270 176.094 -0.011 0.000 1.069 259 V CA 1.509 63.788 62.300 -0.035 0.000 1.082 259 V CB -0.454 31.332 31.823 -0.062 0.000 0.680 259 V HN 0.423 nan 8.190 nan 0.000 0.469 260 K N -0.510 119.893 120.400 0.006 0.000 2.186 260 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 260 K C 2.009 178.601 176.600 -0.014 0.000 1.052 260 K CA 0.826 57.114 56.287 0.001 0.000 0.965 260 K CB -0.068 32.440 32.500 0.013 0.000 0.746 260 K HN 0.370 nan 8.250 nan 0.000 0.457 261 L N 0.833 122.048 121.223 -0.013 0.000 2.156 261 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 261 L C 2.160 179.021 176.870 -0.016 0.000 1.095 261 L CA 0.854 55.687 54.840 -0.011 0.000 0.770 261 L CB -0.330 41.723 42.059 -0.011 0.000 0.914 261 L HN 0.138 nan 8.230 nan 0.000 0.439 262 L N -0.635 120.572 121.223 -0.027 0.000 2.131 262 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 262 L C 2.692 179.523 176.870 -0.064 0.000 1.087 262 L CA 0.660 55.474 54.840 -0.044 0.000 0.767 262 L CB -0.314 41.720 42.059 -0.042 0.000 0.917 262 L HN 0.141 nan 8.230 nan 0.000 0.441 263 R N 0.341 120.810 120.500 -0.053 0.000 2.148 263 R HA -0.141 4.199 4.340 -0.000 0.000 0.227 263 R C 2.017 178.270 176.300 -0.078 0.000 1.103 263 R CA 1.006 57.065 56.100 -0.068 0.000 0.983 263 R CB -0.302 29.970 30.300 -0.046 0.000 0.874 263 R HN 0.213 nan 8.270 nan 0.000 0.451 264 L N -0.188 121.008 121.223 -0.046 0.000 2.072 264 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 264 L C 1.550 178.437 176.870 0.028 0.000 1.079 264 L CA 1.594 56.422 54.840 -0.019 0.000 0.752 264 L CB -0.267 41.799 42.059 0.011 0.000 0.906 264 L HN 0.214 nan 8.230 nan 0.000 0.436 265 L N -0.680 120.558 121.223 0.025 0.000 2.353 265 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 265 L C 2.280 179.148 176.870 -0.005 0.000 1.133 265 L CA 0.858 55.741 54.840 0.072 0.000 0.798 265 L CB -0.510 41.565 42.059 0.026 0.000 0.922 265 L HN 0.473 nan 8.230 nan 0.000 0.445 266 Q N -1.376 118.323 119.800 -0.169 0.000 2.432 266 Q HA -0.057 4.283 4.340 -0.000 0.000 0.205 266 Q C 2.087 177.866 176.000 -0.368 0.000 0.945 266 Q CA 0.547 56.082 55.803 -0.447 0.000 0.924 266 Q CB 0.099 28.538 28.738 -0.499 0.000 1.016 266 Q HN 0.548 nan 8.270 nan 0.000 0.503 267 C N 0.304 119.467 119.300 -0.229 0.000 2.511 267 C HA 0.072 4.532 4.460 -0.000 0.000 0.277 267 C C 0.446 175.145 174.990 -0.485 0.000 1.451 267 C CA 0.100 58.910 59.018 -0.348 0.000 1.735 267 C CB -1.408 26.058 27.740 -0.456 0.000 1.704 267 C HN 0.309 nan 8.230 nan 0.000 0.571 268 Y N -0.785 119.553 120.300 0.063 0.000 2.638 268 Y HA 0.468 5.018 4.550 0.000 0.000 0.339 268 Y C -2.382 173.651 175.900 0.223 0.000 1.084 268 Y CA -2.367 55.808 58.100 0.125 0.000 1.068 268 Y CB 0.925 39.444 38.460 0.100 0.000 1.294 268 Y HN -0.199 nan 8.280 nan 0.000 0.480 269 P HA 0.249 nan 4.420 nan 0.000 0.277 269 P C -2.730 174.593 177.300 0.039 0.000 1.271 269 P CA -1.530 61.689 63.100 0.198 0.000 0.795 269 P CB 0.012 31.776 31.700 0.106 0.000 1.101 270 P HA 0.113 nan 4.420 nan 0.000 0.266 270 P C -2.311 174.901 177.300 -0.147 0.000 1.195 270 P CA -0.673 62.082 63.100 -0.575 0.000 0.768 270 P CB -1.281 30.080 31.700 -0.564 0.000 0.838 271 P HA -0.112 nan 4.420 nan 0.000 0.260 271 P C 1.079 178.350 177.300 -0.047 0.000 1.172 271 P CA 0.566 63.650 63.100 -0.026 0.000 0.760 271 P CB 0.270 31.968 31.700 -0.003 0.000 0.773 272 E N 2.237 122.409 120.200 -0.047 0.000 2.085 272 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 272 E C 0.510 177.088 176.600 -0.037 0.000 0.994 272 E CA 1.204 57.579 56.400 -0.042 0.000 0.801 272 E CB -0.683 28.994 29.700 -0.038 0.000 0.743 272 E HN 0.434 nan 8.360 nan 0.000 0.453 273 D N 1.909 122.289 120.400 -0.034 0.000 2.317 273 D HA 0.078 4.718 4.640 -0.000 0.000 0.252 273 D C -1.804 174.481 176.300 -0.024 0.000 1.174 273 D CA -2.648 51.336 54.000 -0.027 0.000 0.866 273 D CB 1.577 42.362 40.800 -0.025 0.000 1.127 273 D HN -0.285 nan 8.370 nan 0.000 0.467 274 P HA -0.199 nan 4.420 nan 0.000 0.217 274 P C 0.888 178.179 177.300 -0.015 0.000 1.148 274 P CA 1.964 65.051 63.100 -0.021 0.000 0.834 274 P CB 0.174 31.862 31.700 -0.020 0.000 0.783 275 A N -1.060 121.753 122.820 -0.013 0.000 1.898 275 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 275 A C 2.317 179.898 177.584 -0.006 0.000 1.181 275 A CA 1.721 53.753 52.037 -0.008 0.000 0.620 275 A CB -1.487 17.509 19.000 -0.007 0.000 0.819 275 A HN 0.041 nan 8.150 nan 0.000 0.442 276 V N -0.098 119.812 119.914 -0.007 0.000 2.323 276 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 276 V C 2.586 178.682 176.094 0.003 0.000 1.041 276 V CA 2.025 64.323 62.300 -0.003 0.000 1.025 276 V CB -0.800 31.018 31.823 -0.009 0.000 0.656 276 V HN 0.608 nan 8.190 nan 0.000 0.451 277 R N 0.218 120.715 120.500 -0.004 0.000 2.170 277 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 277 R C 2.231 178.533 176.300 0.005 0.000 1.145 277 R CA 1.591 57.691 56.100 -0.001 0.000 0.984 277 R CB -0.589 29.695 30.300 -0.026 0.000 0.869 277 R HN 0.588 nan 8.270 nan 0.000 0.455 278 G N 0.090 108.889 108.800 -0.001 0.000 2.414 278 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 278 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 278 G C 1.475 176.379 174.900 0.006 0.000 1.188 278 G CA 0.486 45.587 45.100 0.000 0.000 0.783 278 G HN 0.276 nan 8.290 nan 0.000 0.537 279 R N -0.273 120.232 120.500 0.007 0.000 2.081 279 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 279 R C 2.576 178.885 176.300 0.015 0.000 1.131 279 R CA 1.296 57.401 56.100 0.009 0.000 0.960 279 R CB -0.393 29.911 30.300 0.007 0.000 0.856 279 R HN 0.380 nan 8.270 nan 0.000 0.436 280 L N 0.085 121.322 121.223 0.023 0.000 2.079 280 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 280 L C 1.868 178.758 176.870 0.033 0.000 1.081 280 L CA 1.987 56.847 54.840 0.034 0.000 0.752 280 L CB -0.417 41.679 42.059 0.062 0.000 0.896 280 L HN 0.066 nan 8.230 nan 0.000 0.433 281 T N -0.745 113.828 114.554 0.032 0.000 3.023 281 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 281 T C 1.625 176.334 174.700 0.014 0.000 1.093 281 T CA 1.144 63.260 62.100 0.028 0.000 1.129 281 T CB -0.085 68.797 68.868 0.025 0.000 0.899 281 T HN 0.485 nan 8.240 nan 0.000 0.491 282 E N 0.104 120.311 120.200 0.011 0.000 2.072 282 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 282 E C 2.429 179.032 176.600 0.005 0.000 0.982 282 E CA 0.836 57.240 56.400 0.007 0.000 0.803 282 E CB -0.219 29.484 29.700 0.006 0.000 0.755 282 E HN 0.432 nan 8.360 nan 0.000 0.453 283 C N 0.783 120.087 119.300 0.007 0.000 2.425 283 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 283 C C 2.503 177.493 174.990 -0.000 0.000 1.280 283 C CA 0.594 59.614 59.018 0.004 0.000 1.744 283 C CB -0.919 26.825 27.740 0.006 0.000 1.989 283 C HN 0.334 nan 8.230 nan 0.000 0.491 284 L N 0.428 121.652 121.223 0.001 0.000 2.109 284 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 284 L C 2.848 179.712 176.870 -0.010 0.000 1.086 284 L CA 1.257 56.093 54.840 -0.007 0.000 0.760 284 L CB -0.769 41.288 42.059 -0.003 0.000 0.910 284 L HN 0.320 nan 8.230 nan 0.000 0.437 285 E N -0.223 119.975 120.200 -0.004 0.000 2.130 285 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 285 E C 2.138 178.733 176.600 -0.008 0.000 0.998 285 E CA 1.884 58.281 56.400 -0.005 0.000 0.806 285 E CB -0.124 29.576 29.700 -0.001 0.000 0.738 285 E HN 0.417 nan 8.360 nan 0.000 0.459 286 T N 0.987 115.538 114.554 -0.005 0.000 2.809 286 T HA 0.016 4.366 4.350 -0.000 0.000 0.260 286 T C 2.051 176.747 174.700 -0.007 0.000 1.039 286 T CA 0.332 62.430 62.100 -0.003 0.000 1.141 286 T CB -0.059 68.809 68.868 0.001 0.000 0.869 286 T HN 0.096 nan 8.240 nan 0.000 0.437 287 I N 1.105 121.669 120.570 -0.011 0.000 2.194 287 I HA -0.205 3.965 4.170 -0.000 0.000 0.246 287 I C 2.151 178.253 176.117 -0.026 0.000 1.093 287 I CA 1.404 62.694 61.300 -0.017 0.000 1.355 287 I CB -0.343 37.643 38.000 -0.024 0.000 1.046 287 I HN 0.252 nan 8.210 nan 0.000 0.413 288 L N 0.087 121.290 121.223 -0.035 0.000 2.141 288 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 288 L C 2.264 179.115 176.870 -0.032 0.000 1.094 288 L CA 0.867 55.678 54.840 -0.049 0.000 0.763 288 L CB -0.687 41.339 42.059 -0.055 0.000 0.908 288 L HN 0.311 nan 8.230 nan 0.000 0.437 289 N N 0.499 119.188 118.700 -0.017 0.000 2.043 289 N HA -0.172 4.568 4.740 -0.000 0.000 0.193 289 N C 1.724 177.234 175.510 -0.000 0.000 1.037 289 N CA 1.251 54.296 53.050 -0.008 0.000 0.851 289 N CB -0.162 38.324 38.487 -0.003 0.000 1.027 289 N HN 0.238 nan 8.380 nan 0.000 0.422 290 K N 0.926 121.328 120.400 0.004 0.000 2.209 290 K HA 0.044 4.363 4.320 -0.000 0.000 0.204 290 K C 1.927 178.542 176.600 0.024 0.000 1.048 290 K CA 0.713 57.010 56.287 0.017 0.000 0.940 290 K CB -0.198 32.315 32.500 0.022 0.000 0.729 290 K HN 0.150 nan 8.250 nan 0.000 0.451 291 A N 1.750 124.576 122.820 0.010 0.000 1.883 291 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 291 A C 2.093 179.695 177.584 0.029 0.000 1.186 291 A CA 1.424 53.472 52.037 0.019 0.000 0.624 291 A CB -0.468 18.523 19.000 -0.014 0.000 0.822 291 A HN 0.341 nan 8.150 nan 0.000 0.444 292 Q N -0.153 119.655 119.800 0.012 0.000 2.369 292 Q HA -0.027 4.313 4.340 -0.000 0.000 0.206 292 Q C 0.034 176.050 176.000 0.027 0.000 0.963 292 Q CA 0.215 56.028 55.803 0.018 0.000 0.894 292 Q CB 0.068 28.809 28.738 0.006 0.000 0.965 292 Q HN 0.733 nan 8.270 nan 0.000 0.475 293 E N 1.874 122.091 120.200 0.027 0.000 2.392 293 E HA 0.061 4.411 4.350 -0.000 0.000 0.259 293 E C -2.288 174.333 176.600 0.035 0.000 1.108 293 E CA -1.724 54.692 56.400 0.026 0.000 0.916 293 E CB 0.285 29.997 29.700 0.021 0.000 0.989 293 E HN 0.065 nan 8.360 nan 0.000 0.432 294 P HA 0.082 nan 4.420 nan 0.000 0.265 294 P C -2.451 174.856 177.300 0.011 0.000 1.222 294 P CA -1.003 62.109 63.100 0.020 0.000 0.767 294 P CB -0.367 31.335 31.700 0.003 0.000 0.801 295 P HA 0.000 nan 4.420 nan 0.000 0.260 295 P C 1.050 178.276 177.300 -0.124 0.000 1.172 295 P CA 0.372 63.492 63.100 0.034 0.000 0.760 295 P CB 0.391 32.124 31.700 0.055 0.000 0.773 296 K N 0.552 120.808 120.400 -0.240 0.000 2.442 296 K HA 0.012 4.332 4.320 -0.000 0.000 0.198 296 K C 0.955 177.271 176.600 -0.474 0.000 1.042 296 K CA 0.751 56.797 56.287 -0.403 0.000 0.958 296 K CB 0.158 32.385 32.500 -0.454 0.000 0.766 296 K HN 0.504 nan 8.250 nan 0.000 0.474 297 S N -1.355 114.042 115.700 -0.505 0.000 2.727 297 S HA 0.336 4.806 4.470 -0.000 0.000 0.278 297 S C -0.842 173.670 174.600 -0.147 0.000 1.186 297 S CA -0.815 57.240 58.200 -0.243 0.000 0.836 297 S CB 1.220 64.386 63.200 -0.057 0.000 1.186 297 S HN 0.012 nan 8.310 nan 0.000 0.499 298 K N 0.062 120.450 120.400 -0.019 0.000 2.521 298 K HA 0.290 4.610 4.320 -0.000 0.000 0.213 298 K C -0.620 176.034 176.600 0.090 0.000 1.223 298 K CA -0.157 56.159 56.287 0.050 0.000 1.013 298 K CB 0.457 32.975 32.500 0.030 0.000 1.017 298 K HN 0.374 nan 8.250 nan 0.000 0.591 299 K N 1.457 121.911 120.400 0.090 0.000 2.489 299 K HA -0.051 4.269 4.320 -0.000 0.000 0.278 299 K C 1.146 177.853 176.600 0.177 0.000 1.000 299 K CA -0.063 56.294 56.287 0.116 0.000 1.012 299 K CB 0.978 33.536 32.500 0.098 0.000 0.903 299 K HN -0.147 nan 8.250 nan 0.000 0.485 300 V N 2.823 122.823 119.914 0.142 0.000 2.546 300 V HA -0.334 3.786 4.120 -0.000 0.000 0.254 300 V C 1.554 177.743 176.094 0.158 0.000 1.076 300 V CA 1.895 64.271 62.300 0.125 0.000 1.087 300 V CB -0.250 31.624 31.823 0.086 0.000 0.674 300 V HN 0.738 nan 8.190 nan 0.000 0.470 301 Q N -0.110 119.828 119.800 0.231 0.000 1.993 301 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 301 Q C 2.084 178.255 176.000 0.285 0.000 0.984 301 Q CA 2.485 58.430 55.803 0.236 0.000 0.837 301 Q CB -0.697 28.120 28.738 0.131 0.000 0.902 301 Q HN 0.969 nan 8.270 nan 0.000 0.423 302 H N -0.306 118.939 119.070 0.292 0.000 2.289 302 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 302 H C 2.168 177.583 175.328 0.145 0.000 1.091 302 H CA 2.245 58.438 56.048 0.242 0.000 1.274 302 H CB -0.450 29.461 29.762 0.248 0.000 1.364 302 H HN 0.238 nan 8.280 nan 0.000 0.490 303 S N -0.408 115.369 115.700 0.128 0.000 2.374 303 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 303 S C 1.995 176.555 174.600 -0.066 0.000 1.037 303 S CA 1.869 60.071 58.200 0.003 0.000 1.024 303 S CB -0.373 62.866 63.200 0.066 0.000 0.861 303 S HN 0.600 nan 8.310 nan 0.000 0.456 304 N N 1.309 119.999 118.700 -0.018 0.000 2.300 304 N HA 0.191 4.930 4.740 -0.000 0.000 0.179 304 N C 1.864 177.309 175.510 -0.109 0.000 1.016 304 N CA 1.223 54.246 53.050 -0.045 0.000 0.876 304 N CB -0.848 37.632 38.487 -0.012 0.000 0.979 304 N HN 0.535 nan 8.380 nan 0.000 0.432 305 A N 1.037 123.782 122.820 -0.126 0.000 1.872 305 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 305 A C 2.146 179.594 177.584 -0.225 0.000 1.187 305 A CA 1.215 53.095 52.037 -0.261 0.000 0.614 305 A CB -0.409 18.490 19.000 -0.169 0.000 0.826 305 A HN 0.190 nan 8.150 nan 0.000 0.442 306 K N -0.365 119.910 120.400 -0.209 0.000 2.032 306 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 306 K C 1.407 177.963 176.600 -0.073 0.000 1.048 306 K CA 1.745 57.928 56.287 -0.173 0.000 0.927 306 K CB -0.188 32.147 32.500 -0.274 0.000 0.712 306 K HN 0.393 nan 8.250 nan 0.000 0.441 307 N N 0.149 118.827 118.700 -0.036 0.000 2.512 307 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 307 N C 1.153 176.781 175.510 0.198 0.000 1.073 307 N CA 0.860 53.982 53.050 0.119 0.000 0.911 307 N CB 0.051 38.599 38.487 0.103 0.000 0.964 307 N HN 0.260 nan 8.380 nan 0.000 0.447 308 A N -0.047 122.783 122.820 0.018 0.000 1.935 308 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 308 A C 2.333 179.918 177.584 0.001 0.000 1.178 308 A CA 0.623 52.655 52.037 -0.009 0.000 0.640 308 A CB -0.489 18.405 19.000 -0.176 0.000 0.825 308 A HN 0.083 nan 8.150 nan 0.000 0.447 309 V N -0.291 119.586 119.914 -0.062 0.000 2.427 309 V HA -0.183 3.936 4.120 -0.000 0.000 0.248 309 V C 2.460 178.551 176.094 -0.005 0.000 1.051 309 V CA 1.861 64.129 62.300 -0.053 0.000 1.048 309 V CB -0.402 31.370 31.823 -0.085 0.000 0.666 309 V HN 0.556 nan 8.190 nan 0.000 0.456 310 L N -1.001 120.235 121.223 0.020 0.000 2.027 310 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 310 L C 2.072 178.924 176.870 -0.030 0.000 1.074 310 L CA 2.018 56.849 54.840 -0.016 0.000 0.745 310 L CB -0.666 41.388 42.059 -0.008 0.000 0.898 310 L HN 0.267 nan 8.230 nan 0.000 0.433 311 F N -0.341 119.621 119.950 0.019 0.000 2.234 311 F HA -0.182 4.345 4.527 0.000 0.000 0.299 311 F C 2.527 178.320 175.800 -0.011 0.000 1.087 311 F CA 1.419 59.431 58.000 0.020 0.000 1.340 311 F CB -0.012 39.018 39.000 0.051 0.000 1.031 311 F HN 0.171 nan 8.300 nan 0.000 0.500 312 E N 0.141 120.428 120.200 0.145 0.000 2.112 312 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 312 E C 2.152 178.756 176.600 0.007 0.000 0.979 312 E CA 1.019 57.456 56.400 0.061 0.000 0.814 312 E CB -0.243 29.470 29.700 0.022 0.000 0.762 312 E HN 0.226 nan 8.360 nan 0.000 0.460 313 A N 0.475 123.288 122.820 -0.012 0.000 1.969 313 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 313 A C 2.215 179.771 177.584 -0.046 0.000 1.169 313 A CA 1.002 53.016 52.037 -0.038 0.000 0.635 313 A CB -0.536 18.440 19.000 -0.041 0.000 0.810 313 A HN 0.344 nan 8.150 nan 0.000 0.445 314 I N -0.937 119.603 120.570 -0.051 0.000 2.439 314 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 314 I C 2.727 178.839 176.117 -0.008 0.000 1.139 314 I CA 1.378 62.642 61.300 -0.060 0.000 1.438 314 I CB -0.092 37.827 38.000 -0.136 0.000 1.085 314 I HN 0.421 nan 8.210 nan 0.000 0.427 315 S N 0.915 116.629 115.700 0.024 0.000 2.406 315 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 315 S C 1.953 176.565 174.600 0.019 0.000 1.020 315 S CA 0.929 59.156 58.200 0.045 0.000 0.965 315 S CB -0.169 63.066 63.200 0.059 0.000 0.798 315 S HN 0.367 nan 8.310 nan 0.000 0.488 316 L N 1.340 122.536 121.223 -0.047 0.000 2.141 316 L HA 0.176 4.515 4.340 -0.000 0.000 0.209 316 L C 1.894 178.686 176.870 -0.131 0.000 1.094 316 L CA 1.532 56.284 54.840 -0.146 0.000 0.763 316 L CB -0.425 41.514 42.059 -0.199 0.000 0.908 316 L HN 0.371 nan 8.230 nan 0.000 0.437 317 I N -0.830 119.713 120.570 -0.045 0.000 2.286 317 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 317 I C 2.347 178.503 176.117 0.065 0.000 1.104 317 I CA 1.386 62.694 61.300 0.013 0.000 1.397 317 I CB -0.209 37.793 38.000 0.004 0.000 1.072 317 I HN 0.221 nan 8.210 nan 0.000 0.417 318 I N 0.164 120.769 120.570 0.059 0.000 2.394 318 I HA -0.330 3.840 4.170 -0.000 0.000 0.251 318 I C 2.595 178.776 176.117 0.107 0.000 1.136 318 I CA 1.446 62.791 61.300 0.074 0.000 1.425 318 I CB -0.508 37.528 38.000 0.060 0.000 1.079 318 I HN 0.314 nan 8.210 nan 0.000 0.425 319 H N 0.032 119.115 119.070 0.022 0.000 2.357 319 H HA -0.162 4.394 4.556 -0.000 0.000 0.301 319 H C 2.302 177.714 175.328 0.140 0.000 1.082 319 H CA 1.979 58.054 56.048 0.045 0.000 1.342 319 H CB -0.021 29.736 29.762 -0.008 0.000 1.389 319 H HN 0.367 nan 8.280 nan 0.000 0.511 320 H N -0.958 118.238 119.070 0.210 0.000 2.326 320 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 320 H C 0.244 175.607 175.328 0.059 0.000 1.081 320 H CA 0.469 56.598 56.048 0.134 0.000 1.334 320 H CB 0.231 30.063 29.762 0.116 0.000 1.385 320 H HN 0.370 nan 8.280 nan 0.000 0.504 321 D N 0.345 120.869 120.400 0.206 0.000 3.357 321 D HA -0.136 4.504 4.640 -0.000 0.000 0.238 321 D C -1.212 175.157 176.300 0.114 0.000 1.126 321 D CA 0.689 54.791 54.000 0.170 0.000 0.984 321 D CB -0.710 40.196 40.800 0.176 0.000 0.925 321 D HN 0.253 nan 8.370 nan 0.000 0.414 322 S N 1.068 116.795 115.700 0.045 0.000 2.615 322 S HA 0.588 5.058 4.470 -0.000 0.000 0.269 322 S C -1.119 173.433 174.600 -0.080 0.000 1.161 322 S CA -0.885 57.246 58.200 -0.113 0.000 0.817 322 S CB 1.537 64.676 63.200 -0.101 0.000 1.131 322 S HN 0.262 nan 8.310 nan 0.000 0.467 323 E N 0.752 120.867 120.200 -0.142 0.000 3.210 323 E HA -0.152 4.198 4.350 -0.000 0.000 0.292 323 E C -2.431 174.155 176.600 -0.024 0.000 1.931 323 E CA 0.318 56.673 56.400 -0.074 0.000 1.111 323 E CB -1.032 28.650 29.700 -0.030 0.000 0.794 323 E HN 0.270 nan 8.360 nan 0.000 0.342 324 P HA -0.258 nan 4.420 nan 0.000 0.215 324 P C 1.189 178.533 177.300 0.074 0.000 1.157 324 P CA 1.699 64.820 63.100 0.035 0.000 0.874 324 P CB 0.114 31.864 31.700 0.082 0.000 0.790 325 N N -0.270 118.473 118.700 0.073 0.000 2.049 325 N HA -0.200 4.540 4.740 -0.000 0.000 0.198 325 N C 1.618 177.153 175.510 0.041 0.000 1.030 325 N CA 1.600 54.687 53.050 0.061 0.000 0.870 325 N CB -0.999 37.511 38.487 0.038 0.000 1.045 325 N HN 0.036 nan 8.380 nan 0.000 0.434 326 L N -0.270 120.970 121.223 0.027 0.000 2.201 326 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 326 L C 2.132 179.011 176.870 0.014 0.000 1.105 326 L CA 0.555 55.404 54.840 0.015 0.000 0.775 326 L CB -0.309 41.759 42.059 0.016 0.000 0.913 326 L HN 0.325 nan 8.230 nan 0.000 0.440 327 L N -1.316 119.926 121.223 0.032 0.000 2.156 327 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 327 L C 2.381 179.273 176.870 0.037 0.000 1.095 327 L CA 0.470 55.331 54.840 0.034 0.000 0.770 327 L CB -0.129 41.960 42.059 0.051 0.000 0.914 327 L HN 0.029 nan 8.230 nan 0.000 0.439 328 V N -0.500 119.450 119.914 0.059 0.000 2.407 328 V HA -0.164 3.955 4.120 -0.000 0.000 0.245 328 V C 2.632 178.746 176.094 0.033 0.000 1.041 328 V CA 1.256 63.599 62.300 0.072 0.000 1.040 328 V CB -0.465 31.422 31.823 0.106 0.000 0.671 328 V HN 0.391 nan 8.190 nan 0.000 0.455 329 R N 0.635 121.141 120.500 0.010 0.000 2.083 329 R HA -0.156 4.183 4.340 -0.000 0.000 0.237 329 R C 2.393 178.652 176.300 -0.068 0.000 1.137 329 R CA 1.723 57.809 56.100 -0.023 0.000 0.951 329 R CB -1.174 29.110 30.300 -0.027 0.000 0.851 329 R HN 0.519 nan 8.270 nan 0.000 0.434 330 A N 0.476 123.250 122.820 -0.077 0.000 1.933 330 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 330 A C 2.442 179.926 177.584 -0.168 0.000 1.175 330 A CA 1.582 53.535 52.037 -0.139 0.000 0.628 330 A CB -0.872 18.065 19.000 -0.105 0.000 0.814 330 A HN 0.503 nan 8.150 nan 0.000 0.444 331 C N -0.358 118.892 119.300 -0.085 0.000 2.522 331 C HA 0.112 4.572 4.460 -0.000 0.000 0.271 331 C C 2.113 177.047 174.990 -0.092 0.000 1.425 331 C CA 0.829 59.801 59.018 -0.076 0.000 1.751 331 C CB -1.621 26.143 27.740 0.040 0.000 1.775 331 C HN 0.588 nan 8.230 nan 0.000 0.557 332 N N 0.255 118.916 118.700 -0.065 0.000 2.409 332 N HA 0.002 4.742 4.740 -0.000 0.000 0.174 332 N C 1.727 177.139 175.510 -0.162 0.000 1.037 332 N CA 0.588 53.619 53.050 -0.031 0.000 0.898 332 N CB -0.298 38.208 38.487 0.031 0.000 1.010 332 N HN 0.565 nan 8.380 nan 0.000 0.445 333 Q N 0.724 120.366 119.800 -0.263 0.000 2.062 333 Q HA 0.180 4.520 4.340 -0.000 0.000 0.196 333 Q C 1.862 177.443 176.000 -0.698 0.000 0.967 333 Q CA 0.924 56.466 55.803 -0.434 0.000 0.832 333 Q CB -0.203 28.246 28.738 -0.481 0.000 0.899 333 Q HN 0.254 nan 8.270 nan 0.000 0.442 334 L N -0.356 120.490 121.223 -0.628 0.000 2.187 334 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 334 L C 2.076 178.712 176.870 -0.389 0.000 1.100 334 L CA 1.138 55.638 54.840 -0.566 0.000 0.765 334 L CB -0.722 41.119 42.059 -0.362 0.000 0.904 334 L HN 0.457 nan 8.230 nan 0.000 0.437 335 G N -1.115 107.412 108.800 -0.455 0.000 2.402 335 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 335 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 335 G C 1.463 176.282 174.900 -0.135 0.000 1.162 335 G CA 0.123 44.937 45.100 -0.478 0.000 0.777 335 G HN 0.364 nan 8.290 nan 0.000 0.539 336 Q N -0.539 119.211 119.800 -0.085 0.000 2.167 336 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 336 Q C 2.281 178.457 176.000 0.293 0.000 0.970 336 Q CA 0.669 56.535 55.803 0.105 0.000 0.855 336 Q CB -0.231 28.555 28.738 0.080 0.000 0.911 336 Q HN 0.645 nan 8.270 nan 0.000 0.438 337 F N 0.465 120.399 119.950 -0.028 0.000 2.134 337 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 337 F C 2.061 177.907 175.800 0.076 0.000 1.097 337 F CA 0.341 58.352 58.000 0.018 0.000 1.264 337 F CB -0.019 38.995 39.000 0.023 0.000 1.001 337 F HN 0.078 nan 8.300 nan 0.000 0.479 338 L N -0.321 121.040 121.223 0.230 0.000 2.141 338 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 338 L C 2.319 179.268 176.870 0.132 0.000 1.094 338 L CA 1.167 56.092 54.840 0.141 0.000 0.763 338 L CB -0.715 41.384 42.059 0.066 0.000 0.908 338 L HN 0.187 nan 8.230 nan 0.000 0.437 339 Q N -1.130 118.761 119.800 0.151 0.000 2.046 339 Q HA -0.063 4.276 4.340 -0.000 0.000 0.200 339 Q C 0.640 176.716 176.000 0.126 0.000 0.975 339 Q CA 0.739 56.618 55.803 0.127 0.000 0.836 339 Q CB 0.008 28.826 28.738 0.133 0.000 0.896 339 Q HN 0.451 nan 8.270 nan 0.000 0.428 340 H N 2.035 121.154 119.070 0.081 0.000 3.091 340 H HA 0.012 4.568 4.556 -0.000 0.000 0.289 340 H C -0.252 175.099 175.328 0.038 0.000 0.995 340 H CA -0.407 55.674 56.048 0.056 0.000 1.461 340 H CB 0.378 30.171 29.762 0.052 0.000 1.510 340 H HN 0.136 nan 8.280 nan 0.000 0.546 341 R N 3.277 123.805 120.500 0.047 0.000 2.485 341 R HA 0.023 4.363 4.340 -0.000 0.000 0.304 341 R C 0.305 176.642 176.300 0.062 0.000 0.934 341 R CA 0.313 56.437 56.100 0.040 0.000 1.102 341 R CB 0.065 30.368 30.300 0.004 0.000 0.906 341 R HN 0.697 nan 8.270 nan 0.000 0.407 342 E N 0.421 120.654 120.200 0.055 0.000 1.975 342 E HA 0.144 4.494 4.350 -0.000 0.000 0.240 342 E C -0.607 176.022 176.600 0.048 0.000 1.652 342 E CA -0.134 56.294 56.400 0.046 0.000 0.996 342 E CB 0.677 30.402 29.700 0.042 0.000 1.487 342 E HN 0.506 nan 8.360 nan 0.000 0.533 343 T N -0.410 114.169 114.554 0.043 0.000 3.100 343 T HA 0.096 4.446 4.350 -0.000 0.000 0.255 343 T C 0.879 175.621 174.700 0.069 0.000 0.893 343 T CA -0.077 62.058 62.100 0.057 0.000 0.882 343 T CB 0.040 68.932 68.868 0.041 0.000 1.266 343 T HN 0.131 nan 8.240 nan 0.000 0.528 344 N N 1.728 120.448 118.700 0.034 0.000 2.173 344 N HA 0.195 4.935 4.740 -0.000 0.000 0.184 344 N C 1.792 177.332 175.510 0.050 0.000 1.025 344 N CA 0.866 53.926 53.050 0.017 0.000 0.852 344 N CB -0.242 38.227 38.487 -0.029 0.000 0.998 344 N HN 0.300 nan 8.380 nan 0.000 0.427 345 L N 0.664 121.906 121.223 0.033 0.000 2.005 345 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 345 L C 2.354 179.336 176.870 0.186 0.000 1.072 345 L CA 1.033 55.919 54.840 0.077 0.000 0.744 345 L CB -0.423 41.579 42.059 -0.095 0.000 0.895 345 L HN 0.122 nan 8.230 nan 0.000 0.433 346 R N -0.877 119.707 120.500 0.140 0.000 2.119 346 R HA -0.269 4.071 4.340 -0.000 0.000 0.246 346 R C 2.269 178.642 176.300 0.120 0.000 1.146 346 R CA 2.222 58.401 56.100 0.133 0.000 0.962 346 R CB -0.661 29.696 30.300 0.096 0.000 0.863 346 R HN 0.305 nan 8.270 nan 0.000 0.442 347 Y N 0.724 121.043 120.300 0.031 0.000 2.109 347 Y HA -0.232 4.318 4.550 -0.000 0.000 0.285 347 Y C 1.925 177.827 175.900 0.004 0.000 1.131 347 Y CA 1.389 59.492 58.100 0.005 0.000 1.121 347 Y CB -0.166 38.279 38.460 -0.025 0.000 0.987 347 Y HN -0.082 nan 8.280 nan 0.000 0.495 348 L N 0.388 121.735 121.223 0.207 0.000 2.083 348 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 348 L C 2.655 179.635 176.870 0.183 0.000 1.083 348 L CA 1.918 56.742 54.840 -0.027 0.000 0.752 348 L CB -1.715 39.969 42.059 -0.625 0.000 0.899 348 L HN 0.401 nan 8.230 nan 0.000 0.433 349 A N -0.924 122.149 122.820 0.423 0.000 1.902 349 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 349 A C 2.291 179.970 177.584 0.158 0.000 1.181 349 A CA 1.422 53.724 52.037 0.443 0.000 0.623 349 A CB -0.705 18.522 19.000 0.378 0.000 0.818 349 A HN 0.391 nan 8.150 nan 0.000 0.443 350 L N -0.972 120.269 121.223 0.030 0.000 2.275 350 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 350 L C 2.521 179.330 176.870 -0.102 0.000 1.119 350 L CA 1.339 56.138 54.840 -0.069 0.000 0.790 350 L CB -0.312 41.655 42.059 -0.153 0.000 0.919 350 L HN 0.552 nan 8.230 nan 0.000 0.443 351 E N -0.546 119.582 120.200 -0.119 0.000 2.051 351 E HA -0.174 4.176 4.350 -0.000 0.000 0.189 351 E C 2.330 178.944 176.600 0.023 0.000 0.979 351 E CA 1.034 57.382 56.400 -0.086 0.000 0.803 351 E CB 0.160 29.818 29.700 -0.070 0.000 0.761 351 E HN 0.216 nan 8.360 nan 0.000 0.451 352 S N 0.124 115.891 115.700 0.112 0.000 2.368 352 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 352 S C 1.909 176.547 174.600 0.063 0.000 1.029 352 S CA 1.146 59.433 58.200 0.145 0.000 0.988 352 S CB -0.132 63.248 63.200 0.300 0.000 0.838 352 S HN 0.285 nan 8.310 nan 0.000 0.462 353 M N 0.067 119.689 119.600 0.035 0.000 2.132 353 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 353 M C 2.364 178.672 176.300 0.013 0.000 1.065 353 M CA 1.410 56.711 55.300 0.001 0.000 1.122 353 M CB -0.401 32.184 32.600 -0.024 0.000 1.365 353 M HN 0.480 nan 8.290 nan 0.000 0.411 354 C N 0.192 119.499 119.300 0.011 0.000 2.419 354 C HA -0.111 4.349 4.460 -0.000 0.000 0.283 354 C C 2.529 177.536 174.990 0.027 0.000 1.373 354 C CA 1.717 60.745 59.018 0.017 0.000 1.781 354 C CB -1.120 26.619 27.740 -0.001 0.000 1.886 354 C HN 0.627 nan 8.230 nan 0.000 0.520 355 T N -0.135 114.437 114.554 0.030 0.000 2.976 355 T HA 0.011 4.361 4.350 -0.000 0.000 0.257 355 T C 1.550 176.270 174.700 0.033 0.000 1.051 355 T CA 0.722 62.843 62.100 0.037 0.000 1.141 355 T CB -0.190 68.707 68.868 0.048 0.000 0.881 355 T HN 0.555 nan 8.240 nan 0.000 0.461 356 L N 1.063 122.303 121.223 0.029 0.000 2.275 356 L HA 0.092 4.432 4.340 -0.000 0.000 0.215 356 L C 2.535 179.418 176.870 0.021 0.000 1.119 356 L CA 0.760 55.614 54.840 0.023 0.000 0.790 356 L CB -0.358 41.709 42.059 0.013 0.000 0.919 356 L HN 0.220 nan 8.230 nan 0.000 0.443 357 A N -0.765 122.069 122.820 0.023 0.000 2.076 357 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 357 A C 1.994 179.585 177.584 0.011 0.000 1.160 357 A CA 1.789 53.839 52.037 0.021 0.000 0.653 357 A CB -0.554 18.464 19.000 0.031 0.000 0.801 357 A HN 0.571 nan 8.150 nan 0.000 0.455 358 S N -0.581 115.126 115.700 0.011 0.000 2.583 358 S HA 0.327 4.797 4.470 -0.000 0.000 0.239 358 S C 0.426 175.018 174.600 -0.015 0.000 0.966 358 S CA 0.169 58.369 58.200 0.000 0.000 0.973 358 S CB -0.202 63.005 63.200 0.011 0.000 0.794 358 S HN 0.454 nan 8.310 nan 0.000 0.463 359 S N 1.227 116.917 115.700 -0.016 0.000 2.554 359 S HA 0.326 4.795 4.470 -0.000 0.000 0.278 359 S C 0.260 174.798 174.600 -0.103 0.000 1.242 359 S CA -0.542 57.645 58.200 -0.022 0.000 1.051 359 S CB 1.145 64.354 63.200 0.016 0.000 0.986 359 S HN 0.410 nan 8.310 nan 0.000 0.502 360 E N 2.787 122.861 120.200 -0.211 0.000 2.496 360 E HA 0.240 4.590 4.350 -0.000 0.000 0.202 360 E C -0.916 175.124 176.600 -0.932 0.000 1.021 360 E CA 0.064 56.163 56.400 -0.502 0.000 1.015 360 E CB 0.217 29.582 29.700 -0.558 0.000 1.102 360 E HN 0.782 nan 8.360 nan 0.000 0.452 361 F N -1.220 118.654 119.950 -0.127 0.000 2.944 361 F HA 0.029 4.556 4.527 0.000 0.000 0.332 361 F C 1.796 177.391 175.800 -0.342 0.000 1.215 361 F CA -0.183 57.673 58.000 -0.240 0.000 1.079 361 F CB 0.607 39.508 39.000 -0.164 0.000 1.272 361 F HN -0.032 nan 8.300 nan 0.000 0.509 362 S N -1.085 114.552 115.700 -0.105 0.000 2.481 362 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 362 S C 0.850 175.432 174.600 -0.030 0.000 0.996 362 S CA 1.105 59.276 58.200 -0.049 0.000 0.942 362 S CB -0.488 62.718 63.200 0.010 0.000 0.768 362 S HN 0.534 nan 8.310 nan 0.000 0.520 363 H N 0.819 119.907 119.070 0.029 0.000 3.237 363 H HA -0.143 4.413 4.556 -0.000 0.000 0.231 363 H C 0.002 175.323 175.328 -0.012 0.000 1.148 363 H CA 1.092 57.145 56.048 0.008 0.000 1.155 363 H CB -2.327 27.444 29.762 0.016 0.000 1.210 363 H HN 0.777 nan 8.280 nan 0.000 0.317 364 E N -2.273 117.959 120.200 0.053 0.000 2.553 364 E HA -0.222 4.128 4.350 -0.000 0.000 0.264 364 E C 1.175 177.802 176.600 0.044 0.000 1.068 364 E CA 0.579 56.996 56.400 0.028 0.000 0.774 364 E CB -1.283 28.422 29.700 0.008 0.000 1.349 364 E HN 0.669 nan 8.360 nan 0.000 0.404 365 A N -0.010 122.853 122.820 0.073 0.000 2.186 365 A HA -0.114 4.205 4.320 -0.000 0.000 0.219 365 A C 2.114 179.747 177.584 0.082 0.000 1.159 365 A CA 1.451 53.531 52.037 0.071 0.000 0.680 365 A CB -0.052 19.012 19.000 0.106 0.000 0.787 365 A HN 0.238 nan 8.150 nan 0.000 0.467 366 V N 0.241 120.210 119.914 0.091 0.000 2.343 366 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 366 V C 2.233 178.376 176.094 0.082 0.000 1.051 366 V CA 2.289 64.668 62.300 0.132 0.000 1.036 366 V CB -0.530 31.335 31.823 0.072 0.000 0.654 366 V HN 0.601 nan 8.190 nan 0.000 0.451 367 K N -0.358 120.045 120.400 0.006 0.000 2.519 367 K HA -0.110 4.210 4.320 -0.000 0.000 0.196 367 K C 1.830 178.377 176.600 -0.089 0.000 1.041 367 K CA 1.313 57.580 56.287 -0.035 0.000 0.954 367 K CB -0.295 32.175 32.500 -0.050 0.000 0.774 367 K HN 0.452 nan 8.250 nan 0.000 0.480 368 T N 0.134 114.578 114.554 -0.184 0.000 3.067 368 T HA -0.020 4.330 4.350 -0.000 0.000 0.261 368 T C 0.856 175.279 174.700 -0.462 0.000 1.110 368 T CA 0.674 62.558 62.100 -0.359 0.000 1.113 368 T CB 0.003 68.566 68.868 -0.509 0.000 0.917 368 T HN 0.327 nan 8.240 nan 0.000 0.499 369 H N 0.251 119.314 119.070 -0.012 0.000 2.505 369 H HA 0.347 4.903 4.556 -0.000 0.000 0.286 369 H C 1.679 177.003 175.328 -0.007 0.000 1.072 369 H CA -0.196 55.848 56.048 -0.007 0.000 1.141 369 H CB 0.028 29.787 29.762 -0.005 0.000 1.550 369 H HN 0.374 nan 8.280 nan 0.000 0.547 370 I N 0.577 121.170 120.570 0.038 0.000 2.236 370 I HA -0.284 3.886 4.170 -0.000 0.000 0.249 370 I C 2.209 178.343 176.117 0.029 0.000 1.102 370 I CA 1.253 62.567 61.300 0.024 0.000 1.365 370 I CB -0.051 37.943 38.000 -0.010 0.000 1.051 370 I HN 0.155 nan 8.210 nan 0.000 0.420 371 E N 0.776 120.991 120.200 0.025 0.000 2.015 371 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 371 E C 2.285 178.910 176.600 0.042 0.000 0.991 371 E CA 1.832 58.247 56.400 0.026 0.000 0.802 371 E CB -0.715 28.995 29.700 0.017 0.000 0.759 371 E HN 0.431 nan 8.360 nan 0.000 0.447 372 T N 1.643 116.238 114.554 0.068 0.000 2.759 372 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 372 T C 2.033 176.764 174.700 0.052 0.000 1.042 372 T CA 1.706 63.849 62.100 0.071 0.000 1.140 372 T CB -0.244 68.686 68.868 0.105 0.000 0.864 372 T HN 0.188 nan 8.240 nan 0.000 0.455 373 V N -0.250 119.695 119.914 0.051 0.000 2.878 373 V HA 0.189 4.309 4.120 -0.000 0.000 0.250 373 V C 2.053 178.153 176.094 0.009 0.000 1.075 373 V CA 0.729 63.044 62.300 0.025 0.000 1.096 373 V CB -0.585 31.253 31.823 0.024 0.000 0.724 373 V HN 0.486 nan 8.190 nan 0.000 0.467 374 I N 1.672 122.252 120.570 0.016 0.000 2.361 374 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 374 I C 2.691 178.811 176.117 0.006 0.000 1.133 374 I CA 1.897 63.203 61.300 0.009 0.000 1.413 374 I CB -0.440 37.570 38.000 0.016 0.000 1.073 374 I HN 0.563 nan 8.210 nan 0.000 0.424 375 N N 1.873 120.581 118.700 0.013 0.000 2.039 375 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 375 N C 1.970 177.484 175.510 0.006 0.000 1.044 375 N CA 2.001 55.060 53.050 0.014 0.000 0.847 375 N CB -0.165 38.334 38.487 0.021 0.000 1.030 375 N HN 0.278 nan 8.380 nan 0.000 0.422 376 A N 1.753 124.576 122.820 0.006 0.000 1.909 376 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 376 A C 2.381 179.948 177.584 -0.028 0.000 1.223 376 A CA 2.055 54.091 52.037 -0.001 0.000 0.658 376 A CB -1.233 17.767 19.000 -0.000 0.000 0.831 376 A HN 0.497 nan 8.150 nan 0.000 0.462 377 L N -0.786 120.403 121.223 -0.056 0.000 2.127 377 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 377 L C 2.173 179.001 176.870 -0.069 0.000 1.089 377 L CA 2.745 57.516 54.840 -0.115 0.000 0.757 377 L CB -0.436 41.535 42.059 -0.145 0.000 0.899 377 L HN 0.416 nan 8.230 nan 0.000 0.434 378 K N -1.185 119.203 120.400 -0.021 0.000 2.044 378 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 378 K C 2.077 178.688 176.600 0.018 0.000 1.049 378 K CA 1.627 57.919 56.287 0.010 0.000 0.945 378 K CB -0.169 32.342 32.500 0.017 0.000 0.724 378 K HN 0.661 nan 8.250 nan 0.000 0.440 379 T N -0.880 113.682 114.554 0.014 0.000 2.739 379 T HA -0.012 4.338 4.350 -0.000 0.000 0.249 379 T C 0.532 175.245 174.700 0.022 0.000 1.050 379 T CA 0.067 62.179 62.100 0.020 0.000 1.165 379 T CB -0.355 68.525 68.868 0.019 0.000 0.872 379 T HN -0.036 nan 8.240 nan 0.000 0.411 380 E N 3.019 123.229 120.200 0.017 0.000 3.025 380 E HA -0.030 4.320 4.350 -0.000 0.000 0.248 380 E C 0.308 176.926 176.600 0.031 0.000 0.938 380 E CA 0.459 56.872 56.400 0.022 0.000 0.958 380 E CB 0.281 29.991 29.700 0.017 0.000 0.898 380 E HN 0.585 nan 8.360 nan 0.000 0.537 381 R N 2.214 122.737 120.500 0.038 0.000 2.580 381 R HA 0.292 4.632 4.340 -0.000 0.000 0.267 381 R C -0.029 176.301 176.300 0.050 0.000 1.125 381 R CA -0.598 55.531 56.100 0.048 0.000 1.188 381 R CB 0.378 30.703 30.300 0.041 0.000 1.155 381 R HN 0.429 nan 8.270 nan 0.000 0.586 382 D N -0.895 119.539 120.400 0.057 0.000 3.625 382 D HA -0.107 4.533 4.640 -0.000 0.000 0.217 382 D C 0.119 176.468 176.300 0.081 0.000 1.064 382 D CA 0.116 54.152 54.000 0.060 0.000 0.989 382 D CB -0.677 40.157 40.800 0.057 0.000 0.789 382 D HN 0.277 nan 8.370 nan 0.000 0.376 383 V N 2.400 122.368 119.914 0.092 0.000 2.636 383 V HA -0.308 3.812 4.120 -0.000 0.000 0.258 383 V C 2.580 178.749 176.094 0.125 0.000 1.092 383 V CA 2.451 64.828 62.300 0.128 0.000 1.110 383 V CB -0.923 30.975 31.823 0.126 0.000 0.685 383 V HN 0.762 nan 8.190 nan 0.000 0.481 384 S N -0.271 115.504 115.700 0.125 0.000 2.343 384 S HA -0.179 4.291 4.470 -0.000 0.000 0.219 384 S C 1.941 176.677 174.600 0.227 0.000 1.033 384 S CA 1.655 59.974 58.200 0.198 0.000 1.014 384 S CB -0.706 62.608 63.200 0.190 0.000 0.915 384 S HN 0.310 nan 8.310 nan 0.000 0.435 385 V N 2.432 122.474 119.914 0.213 0.000 2.332 385 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 385 V C 2.983 179.058 176.094 -0.032 0.000 1.055 385 V CA 2.199 64.559 62.300 0.100 0.000 1.038 385 V CB -0.891 30.997 31.823 0.109 0.000 0.651 385 V HN 0.428 nan 8.190 nan 0.000 0.450 386 R N -0.668 119.809 120.500 -0.039 0.000 2.105 386 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 386 R C 2.415 178.532 176.300 -0.306 0.000 1.135 386 R CA 1.793 57.769 56.100 -0.206 0.000 0.967 386 R CB -0.257 29.937 30.300 -0.177 0.000 0.861 386 R HN 0.606 nan 8.270 nan 0.000 0.442 387 Q N -0.498 119.239 119.800 -0.105 0.000 2.020 387 Q HA -0.032 4.308 4.340 -0.000 0.000 0.198 387 Q C 1.956 177.904 176.000 -0.087 0.000 0.974 387 Q CA 0.797 56.568 55.803 -0.054 0.000 0.829 387 Q CB 0.143 28.915 28.738 0.057 0.000 0.894 387 Q HN 0.103 nan 8.270 nan 0.000 0.433 388 R N 0.181 120.613 120.500 -0.113 0.000 2.211 388 R HA -0.119 4.221 4.340 -0.000 0.000 0.240 388 R C 1.761 177.976 176.300 -0.142 0.000 1.144 388 R CA 1.169 57.161 56.100 -0.180 0.000 0.992 388 R CB -0.625 29.421 30.300 -0.422 0.000 0.869 388 R HN 0.282 nan 8.270 nan 0.000 0.462 389 A N -0.011 122.727 122.820 -0.136 0.000 1.878 389 A HA -0.011 4.309 4.320 -0.000 0.000 0.213 389 A C 2.401 179.938 177.584 -0.078 0.000 1.192 389 A CA 0.692 52.665 52.037 -0.106 0.000 0.619 389 A CB -0.511 18.414 19.000 -0.124 0.000 0.837 389 A HN 0.077 nan 8.150 nan 0.000 0.446 390 V N 1.007 120.852 119.914 -0.115 0.000 2.392 390 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 390 V C 2.072 178.185 176.094 0.031 0.000 1.059 390 V CA 2.529 64.802 62.300 -0.046 0.000 1.051 390 V CB -0.757 31.033 31.823 -0.056 0.000 0.658 390 V HN 0.525 nan 8.190 nan 0.000 0.455 391 D N -0.435 119.968 120.400 0.006 0.000 2.144 391 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 391 D C 1.872 178.222 176.300 0.082 0.000 0.984 391 D CA 1.157 55.176 54.000 0.031 0.000 0.834 391 D CB -0.310 40.485 40.800 -0.009 0.000 0.955 391 D HN 0.402 nan 8.370 nan 0.000 0.465 392 L N 0.318 121.564 121.223 0.039 0.000 2.093 392 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 392 L C 2.011 178.922 176.870 0.067 0.000 1.085 392 L CA 1.254 56.120 54.840 0.044 0.000 0.755 392 L CB -0.300 41.764 42.059 0.008 0.000 0.904 392 L HN 0.004 nan 8.230 nan 0.000 0.435 393 L N -1.895 119.371 121.223 0.073 0.000 2.109 393 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 393 L C 2.422 179.364 176.870 0.120 0.000 1.086 393 L CA 1.279 56.165 54.840 0.077 0.000 0.760 393 L CB -0.645 41.455 42.059 0.067 0.000 0.910 393 L HN 0.348 nan 8.230 nan 0.000 0.437 394 Y N 0.673 120.997 120.300 0.041 0.000 2.242 394 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 394 Y C 2.207 178.149 175.900 0.069 0.000 1.137 394 Y CA 1.289 59.430 58.100 0.068 0.000 1.181 394 Y CB 0.023 38.523 38.460 0.066 0.000 0.989 394 Y HN 0.081 nan 8.280 nan 0.000 0.527 395 A N 0.208 123.149 122.820 0.202 0.000 2.370 395 A HA 0.190 4.510 4.320 -0.000 0.000 0.238 395 A C 1.231 178.838 177.584 0.038 0.000 1.289 395 A CA 0.473 52.581 52.037 0.118 0.000 0.885 395 A CB -1.014 18.074 19.000 0.147 0.000 0.961 395 A HN 0.649 nan 8.150 nan 0.000 0.499 396 M N -2.989 116.614 119.600 0.006 0.000 2.821 396 M HA 0.374 4.854 4.480 -0.000 0.000 0.432 396 M C -0.450 175.792 176.300 -0.098 0.000 1.291 396 M CA -0.476 54.804 55.300 -0.032 0.000 0.838 396 M CB -0.321 32.274 32.600 -0.007 0.000 1.505 396 M HN 0.014 nan 8.290 nan 0.000 0.523 397 C N 3.554 122.771 119.300 -0.137 0.000 2.632 397 C HA 0.534 4.994 4.460 -0.000 0.000 0.415 397 C C -0.031 174.589 174.990 -0.618 0.000 1.332 397 C CA 0.290 59.137 59.018 -0.285 0.000 1.874 397 C CB -0.214 27.419 27.740 -0.178 0.000 2.596 397 C HN 0.821 nan 8.230 nan 0.000 0.590 398 D N 3.208 123.179 120.400 -0.716 0.000 2.714 398 D HA 0.327 4.967 4.640 -0.000 0.000 0.278 398 D C 0.552 176.367 176.300 -0.808 0.000 1.102 398 D CA -0.896 52.581 54.000 -0.871 0.000 1.108 398 D CB 0.457 41.047 40.800 -0.350 0.000 1.444 398 D HN 0.494 nan 8.370 nan 0.000 0.568 399 R N -0.365 119.894 120.500 -0.402 0.000 2.241 399 R HA 0.009 4.349 4.340 -0.000 0.000 0.224 399 R C 1.468 177.675 176.300 -0.155 0.000 1.101 399 R CA 1.306 57.334 56.100 -0.119 0.000 0.995 399 R CB -0.384 29.947 30.300 0.050 0.000 0.870 399 R HN 0.442 nan 8.270 nan 0.000 0.463 400 S N 1.265 116.856 115.700 -0.181 0.000 2.387 400 S HA -0.056 4.414 4.470 -0.000 0.000 0.221 400 S C 1.429 175.939 174.600 -0.150 0.000 1.041 400 S CA 0.773 58.885 58.200 -0.146 0.000 0.959 400 S CB -0.214 62.915 63.200 -0.119 0.000 0.843 400 S HN 0.561 nan 8.310 nan 0.000 0.488 401 N N 1.595 120.202 118.700 -0.154 0.000 2.280 401 N HA 0.296 5.036 4.740 -0.000 0.000 0.192 401 N C 1.614 177.063 175.510 -0.101 0.000 1.109 401 N CA 0.541 53.522 53.050 -0.116 0.000 0.855 401 N CB 0.064 38.494 38.487 -0.094 0.000 0.974 401 N HN 0.344 nan 8.380 nan 0.000 0.482 402 A N 2.218 124.956 122.820 -0.136 0.000 1.873 402 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 402 A C 2.301 179.915 177.584 0.050 0.000 1.193 402 A CA 1.548 53.570 52.037 -0.026 0.000 0.629 402 A CB -0.816 18.198 19.000 0.023 0.000 0.826 402 A HN 0.343 nan 8.150 nan 0.000 0.447 403 Q N -1.098 118.581 119.800 -0.202 0.000 2.077 403 Q HA -0.249 4.091 4.340 -0.000 0.000 0.206 403 Q C 2.462 178.486 176.000 0.040 0.000 0.989 403 Q CA 1.691 57.382 55.803 -0.187 0.000 0.853 403 Q CB -0.226 28.185 28.738 -0.545 0.000 0.907 403 Q HN 0.693 nan 8.270 nan 0.000 0.418 404 Q N 0.261 120.048 119.800 -0.022 0.000 2.029 404 Q HA -0.230 4.110 4.340 -0.000 0.000 0.209 404 Q C 2.154 178.188 176.000 0.058 0.000 0.999 404 Q CA 1.650 57.459 55.803 0.010 0.000 0.857 404 Q CB -0.243 28.482 28.738 -0.022 0.000 0.926 404 Q HN 0.467 nan 8.270 nan 0.000 0.415 405 I N -0.054 120.556 120.570 0.066 0.000 2.202 405 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 405 I C 2.358 178.558 176.117 0.138 0.000 1.091 405 I CA 0.703 62.056 61.300 0.089 0.000 1.368 405 I CB -0.329 37.718 38.000 0.078 0.000 1.058 405 I HN 0.019 nan 8.210 nan 0.000 0.410 406 V N 1.346 121.384 119.914 0.206 0.000 2.453 406 V HA -0.345 3.775 4.120 -0.000 0.000 0.252 406 V C 2.670 178.872 176.094 0.181 0.000 1.068 406 V CA 1.964 64.403 62.300 0.232 0.000 1.070 406 V CB -1.423 30.630 31.823 0.383 0.000 0.664 406 V HN 0.503 nan 8.190 nan 0.000 0.461 407 A N 0.032 122.962 122.820 0.183 0.000 1.835 407 A HA -0.230 4.090 4.320 -0.000 0.000 0.215 407 A C 2.198 179.846 177.584 0.107 0.000 1.199 407 A CA 1.872 53.992 52.037 0.138 0.000 0.615 407 A CB -0.678 18.396 19.000 0.123 0.000 0.838 407 A HN 0.467 nan 8.150 nan 0.000 0.444 408 E N -0.444 119.814 120.200 0.097 0.000 2.130 408 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 408 E C 2.000 178.668 176.600 0.113 0.000 0.998 408 E CA 1.586 58.038 56.400 0.087 0.000 0.806 408 E CB -0.325 29.414 29.700 0.065 0.000 0.738 408 E HN 0.639 nan 8.360 nan 0.000 0.459 409 M N -0.812 118.863 119.600 0.124 0.000 2.254 409 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 409 M C 1.903 178.278 176.300 0.125 0.000 1.066 409 M CA 0.813 56.205 55.300 0.153 0.000 1.123 409 M CB -0.022 32.667 32.600 0.149 0.000 1.388 409 M HN 0.144 nan 8.290 nan 0.000 0.425 410 L N -0.261 121.017 121.223 0.091 0.000 2.275 410 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 410 L C 2.551 179.448 176.870 0.045 0.000 1.119 410 L CA 1.208 56.078 54.840 0.051 0.000 0.790 410 L CB -0.380 41.704 42.059 0.041 0.000 0.919 410 L HN 0.399 nan 8.230 nan 0.000 0.443 411 S N -1.772 113.974 115.700 0.076 0.000 2.439 411 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 411 S C 1.908 176.571 174.600 0.106 0.000 1.029 411 S CA 0.071 58.315 58.200 0.073 0.000 0.946 411 S CB -0.566 62.678 63.200 0.074 0.000 0.797 411 S HN 0.417 nan 8.310 nan 0.000 0.504 412 Y N 2.553 122.857 120.300 0.007 0.000 2.421 412 Y HA 0.158 4.708 4.550 0.000 0.000 0.292 412 Y C 1.868 177.757 175.900 -0.018 0.000 1.136 412 Y CA 0.655 58.755 58.100 0.001 0.000 1.255 412 Y CB -0.423 38.042 38.460 0.008 0.000 0.991 412 Y HN 0.361 nan 8.280 nan 0.000 0.552 413 L N 0.104 121.259 121.223 -0.114 0.000 2.109 413 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 413 L C 2.114 178.865 176.870 -0.199 0.000 1.086 413 L CA 1.749 56.454 54.840 -0.225 0.000 0.760 413 L CB -0.636 41.345 42.059 -0.130 0.000 0.910 413 L HN 0.111 nan 8.230 nan 0.000 0.437 414 E N -0.553 119.584 120.200 -0.105 0.000 2.187 414 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 414 E C 0.887 177.439 176.600 -0.080 0.000 1.004 414 E CA 1.667 58.021 56.400 -0.077 0.000 0.813 414 E CB -0.078 29.606 29.700 -0.027 0.000 0.736 414 E HN 0.683 nan 8.360 nan 0.000 0.468 415 T N -2.773 111.725 114.554 -0.094 0.000 3.487 415 T HA 0.611 4.961 4.350 -0.000 0.000 0.287 415 T C -0.331 174.304 174.700 -0.109 0.000 1.004 415 T CA -0.286 61.780 62.100 -0.056 0.000 0.977 415 T CB 0.739 69.607 68.868 -0.000 0.000 1.180 415 T HN 0.111 nan 8.240 nan 0.000 0.490 416 A N 0.991 123.685 122.820 -0.210 0.000 2.311 416 A HA 0.739 5.059 4.320 -0.000 0.000 0.334 416 A C -0.256 177.279 177.584 -0.083 0.000 1.139 416 A CA -0.840 51.032 52.037 -0.275 0.000 0.830 416 A CB 0.587 19.228 19.000 -0.599 0.000 1.234 416 A HN 0.589 nan 8.150 nan 0.000 0.483 417 D N -0.266 120.112 120.400 -0.038 0.000 2.341 417 D HA 0.034 4.674 4.640 -0.000 0.000 0.233 417 D C 0.129 176.537 176.300 0.180 0.000 1.270 417 D CA 0.515 54.560 54.000 0.076 0.000 0.883 417 D CB 0.089 40.898 40.800 0.016 0.000 1.207 417 D HN 0.465 nan 8.370 nan 0.000 0.471 418 Y N -0.523 119.690 120.300 -0.145 0.000 2.448 418 Y HA -0.023 4.527 4.550 -0.000 0.000 0.289 418 Y C 2.492 178.285 175.900 -0.178 0.000 1.114 418 Y CA 0.476 58.459 58.100 -0.195 0.000 1.235 418 Y CB -0.926 37.507 38.460 -0.045 0.000 1.045 418 Y HN 0.326 nan 8.280 nan 0.000 0.554 419 S N -0.499 115.239 115.700 0.063 0.000 2.465 419 S HA -0.126 4.344 4.470 -0.000 0.000 0.241 419 S C 1.645 176.219 174.600 -0.042 0.000 1.000 419 S CA 1.164 59.377 58.200 0.021 0.000 0.964 419 S CB -0.380 62.835 63.200 0.026 0.000 0.763 419 S HN 0.216 nan 8.310 nan 0.000 0.512 420 I N 1.255 121.762 120.570 -0.105 0.000 3.081 420 I HA 0.163 4.333 4.170 -0.000 0.000 0.274 420 I C 2.398 178.369 176.117 -0.244 0.000 1.178 420 I CA 0.139 61.354 61.300 -0.142 0.000 1.460 420 I CB -1.061 36.849 38.000 -0.149 0.000 1.137 420 I HN 0.156 nan 8.210 nan 0.000 0.443 421 R N 1.132 121.367 120.500 -0.441 0.000 2.154 421 R HA -0.265 4.075 4.340 -0.000 0.000 0.236 421 R C 2.080 178.170 176.300 -0.350 0.000 1.121 421 R CA 2.084 57.802 56.100 -0.636 0.000 0.915 421 R CB -1.016 28.327 30.300 -1.595 0.000 0.856 421 R HN 0.475 nan 8.270 nan 0.000 0.431 422 E N 0.888 120.960 120.200 -0.214 0.000 2.153 422 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 422 E C 1.778 178.377 176.600 -0.003 0.000 0.988 422 E CA 1.605 58.034 56.400 0.048 0.000 0.811 422 E CB 0.040 29.860 29.700 0.201 0.000 0.746 422 E HN 0.588 nan 8.360 nan 0.000 0.466 423 E N -0.013 120.164 120.200 -0.037 0.000 2.358 423 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 423 E C 1.887 178.460 176.600 -0.045 0.000 1.010 423 E CA 0.702 57.080 56.400 -0.037 0.000 0.856 423 E CB -0.076 29.600 29.700 -0.039 0.000 0.795 423 E HN 0.366 nan 8.360 nan 0.000 0.504 424 I N 0.484 121.021 120.570 -0.054 0.000 2.400 424 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 424 I C 2.203 178.316 176.117 -0.005 0.000 1.109 424 I CA 0.241 61.526 61.300 -0.024 0.000 1.425 424 I CB -0.003 37.967 38.000 -0.051 0.000 1.094 424 I HN 0.073 nan 8.210 nan 0.000 0.425 425 V N 1.328 121.227 119.914 -0.025 0.000 2.278 425 V HA -0.321 3.799 4.120 -0.000 0.000 0.251 425 V C 2.452 178.563 176.094 0.028 0.000 1.062 425 V CA 1.849 64.150 62.300 0.001 0.000 1.038 425 V CB -0.419 31.417 31.823 0.020 0.000 0.646 425 V HN 0.280 nan 8.190 nan 0.000 0.447 426 L N -0.450 120.791 121.223 0.031 0.000 2.027 426 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 426 L C 2.312 179.244 176.870 0.103 0.000 1.074 426 L CA 1.782 56.653 54.840 0.051 0.000 0.745 426 L CB -1.207 40.870 42.059 0.031 0.000 0.898 426 L HN 0.277 nan 8.230 nan 0.000 0.433 427 K N -0.862 119.596 120.400 0.096 0.000 2.152 427 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 427 K C 2.040 178.821 176.600 0.302 0.000 1.048 427 K CA 1.045 57.482 56.287 0.250 0.000 0.933 427 K CB -0.182 32.344 32.500 0.044 0.000 0.721 427 K HN 0.152 nan 8.250 nan 0.000 0.447 428 V N 0.929 120.940 119.914 0.162 0.000 2.346 428 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 428 V C 2.297 178.438 176.094 0.078 0.000 1.037 428 V CA 1.750 64.121 62.300 0.119 0.000 1.029 428 V CB -0.479 31.378 31.823 0.057 0.000 0.663 428 V HN 0.320 nan 8.190 nan 0.000 0.454 429 A N 0.348 123.203 122.820 0.057 0.000 1.884 429 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 429 A C 2.102 179.746 177.584 0.099 0.000 1.197 429 A CA 2.463 54.532 52.037 0.053 0.000 0.637 429 A CB -0.718 18.315 19.000 0.055 0.000 0.827 429 A HN 0.412 nan 8.150 nan 0.000 0.450 430 I N 0.008 120.649 120.570 0.119 0.000 2.091 430 I HA -0.281 3.889 4.170 -0.000 0.000 0.239 430 I C 2.463 178.615 176.117 0.057 0.000 1.061 430 I CA 1.444 62.801 61.300 0.095 0.000 1.317 430 I CB -0.572 37.526 38.000 0.164 0.000 1.031 430 I HN 0.320 nan 8.210 nan 0.000 0.401 431 L N -0.472 120.822 121.223 0.118 0.000 2.191 431 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 431 L C 2.536 179.570 176.870 0.273 0.000 1.103 431 L CA 1.249 56.208 54.840 0.198 0.000 0.769 431 L CB -0.871 41.330 42.059 0.237 0.000 0.908 431 L HN 0.296 nan 8.230 nan 0.000 0.438 432 A N 0.918 123.836 122.820 0.164 0.000 1.843 432 A HA -0.202 4.118 4.320 -0.000 0.000 0.213 432 A C 2.160 179.846 177.584 0.169 0.000 1.202 432 A CA 1.222 53.312 52.037 0.088 0.000 0.607 432 A CB -0.516 18.315 19.000 -0.282 0.000 0.847 432 A HN 0.490 nan 8.150 nan 0.000 0.445 433 E N 0.004 120.298 120.200 0.157 0.000 2.463 433 E HA -0.188 4.162 4.350 -0.000 0.000 0.201 433 E C 1.663 178.184 176.600 -0.131 0.000 1.045 433 E CA 1.556 57.883 56.400 -0.122 0.000 0.872 433 E CB -0.100 29.565 29.700 -0.059 0.000 0.797 433 E HN 0.667 nan 8.360 nan 0.000 0.538 434 K N -0.757 119.582 120.400 -0.101 0.000 2.329 434 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 434 K C 0.663 177.091 176.600 -0.287 0.000 1.085 434 K CA 0.226 56.346 56.287 -0.278 0.000 0.961 434 K CB 0.175 32.364 32.500 -0.519 0.000 0.971 434 K HN 0.225 nan 8.250 nan 0.000 0.502 435 Y N 0.708 121.078 120.300 0.116 0.000 2.531 435 Y HA 0.422 4.972 4.550 -0.000 0.000 0.249 435 Y C 0.195 176.187 175.900 0.153 0.000 1.168 435 Y CA -0.859 57.308 58.100 0.111 0.000 1.226 435 Y CB 1.158 39.671 38.460 0.088 0.000 1.177 435 Y HN 0.049 nan 8.280 nan 0.000 0.527 436 A N 0.743 123.775 122.820 0.353 0.000 2.477 436 A HA 0.334 4.654 4.320 -0.000 0.000 0.246 436 A C 1.154 178.860 177.584 0.204 0.000 1.078 436 A CA 0.111 52.365 52.037 0.362 0.000 0.770 436 A CB 0.300 19.378 19.000 0.130 0.000 1.011 436 A HN 0.268 nan 8.150 nan 0.000 0.494 437 V N -0.218 119.784 119.914 0.146 0.000 2.721 437 V HA 0.143 4.263 4.120 -0.000 0.000 0.236 437 V C 0.746 177.001 176.094 0.268 0.000 1.116 437 V CA 0.748 63.153 62.300 0.176 0.000 1.148 437 V CB -0.955 30.888 31.823 0.034 0.000 0.886 437 V HN 0.711 nan 8.190 nan 0.000 0.490 438 D N -0.365 120.139 120.400 0.173 0.000 2.338 438 D HA 0.129 4.769 4.640 -0.000 0.000 0.255 438 D C 0.223 176.726 176.300 0.339 0.000 1.237 438 D CA -0.129 53.998 54.000 0.211 0.000 0.883 438 D CB 0.790 41.649 40.800 0.100 0.000 1.087 438 D HN 0.353 nan 8.370 nan 0.000 0.485 439 Y N 1.588 121.991 120.300 0.172 0.000 2.583 439 Y HA -0.075 4.475 4.550 -0.000 0.000 0.293 439 Y C 2.504 178.540 175.900 0.227 0.000 1.157 439 Y CA 1.020 59.253 58.100 0.221 0.000 1.315 439 Y CB 0.047 38.591 38.460 0.139 0.000 1.021 439 Y HN 0.492 nan 8.280 nan 0.000 0.536 440 T N -4.403 110.268 114.554 0.195 0.000 3.023 440 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 440 T C 1.668 176.447 174.700 0.131 0.000 1.093 440 T CA 0.712 62.806 62.100 -0.010 0.000 1.129 440 T CB -0.540 67.928 68.868 -0.666 0.000 0.899 440 T HN 0.537 nan 8.240 nan 0.000 0.491 441 W N 0.643 121.942 121.300 -0.001 0.000 2.453 441 W HA 0.072 4.732 4.660 0.000 0.000 0.289 441 W C 1.918 178.460 176.519 0.038 0.000 1.215 441 W CA 0.304 57.662 57.345 0.022 0.000 1.297 441 W CB -0.493 28.970 29.460 0.005 0.000 1.113 441 W HN 0.248 nan 8.180 nan 0.000 0.551 442 Y N 1.177 121.379 120.300 -0.163 0.000 2.049 442 Y HA -0.330 4.220 4.550 -0.000 0.000 0.277 442 Y C 2.353 178.102 175.900 -0.253 0.000 1.143 442 Y CA 3.185 61.017 58.100 -0.446 0.000 1.115 442 Y CB -1.135 37.080 38.460 -0.408 0.000 0.975 442 Y HN -0.169 nan 8.280 nan 0.000 0.487 443 V N 0.952 120.830 119.914 -0.060 0.000 2.317 443 V HA -0.364 3.756 4.120 -0.000 0.000 0.251 443 V C 2.185 178.220 176.094 -0.099 0.000 1.065 443 V CA 2.317 64.586 62.300 -0.052 0.000 1.049 443 V CB -0.822 31.163 31.823 0.270 0.000 0.651 443 V HN 0.473 nan 8.190 nan 0.000 0.450 444 D N -0.408 119.994 120.400 0.003 0.000 2.078 444 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 444 D C 2.298 178.488 176.300 -0.183 0.000 0.990 444 D CA 1.891 55.901 54.000 0.016 0.000 0.827 444 D CB -0.406 40.479 40.800 0.142 0.000 0.975 444 D HN 0.435 nan 8.370 nan 0.000 0.451 445 T N 1.547 115.848 114.554 -0.421 0.000 2.544 445 T HA -0.201 4.149 4.350 -0.000 0.000 0.264 445 T C 2.000 176.482 174.700 -0.364 0.000 1.096 445 T CA 1.190 63.000 62.100 -0.483 0.000 1.181 445 T CB -0.353 68.007 68.868 -0.848 0.000 0.864 445 T HN 0.078 nan 8.240 nan 0.000 0.415 446 I N 1.822 122.096 120.570 -0.493 0.000 2.087 446 I HA -0.144 4.025 4.170 -0.000 0.000 0.240 446 I C 2.028 178.028 176.117 -0.196 0.000 1.054 446 I CA 1.406 62.486 61.300 -0.366 0.000 1.311 446 I CB -1.534 36.171 38.000 -0.493 0.000 1.024 446 I HN 0.340 nan 8.210 nan 0.000 0.402 447 L N -0.688 120.436 121.223 -0.165 0.000 2.693 447 L HA 0.127 4.467 4.340 -0.000 0.000 0.242 447 L C 1.289 178.115 176.870 -0.072 0.000 1.157 447 L CA 0.771 55.559 54.840 -0.087 0.000 0.929 447 L CB -2.217 39.808 42.059 -0.056 0.000 1.103 447 L HN 0.064 nan 8.230 nan 0.000 0.430 448 N N 0.192 118.838 118.700 -0.089 0.000 2.258 448 N HA 0.038 4.778 4.740 -0.000 0.000 0.183 448 N C 1.541 177.017 175.510 -0.056 0.000 1.029 448 N CA 1.061 54.073 53.050 -0.063 0.000 0.857 448 N CB -0.266 38.183 38.487 -0.064 0.000 1.008 448 N HN 0.255 nan 8.380 nan 0.000 0.433 449 L N 1.127 122.310 121.223 -0.066 0.000 2.013 449 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 449 L C 2.020 178.872 176.870 -0.029 0.000 1.073 449 L CA 1.323 56.134 54.840 -0.048 0.000 0.753 449 L CB -0.777 41.255 42.059 -0.046 0.000 0.890 449 L HN 0.211 nan 8.230 nan 0.000 0.432 450 I N -1.232 119.323 120.570 -0.026 0.000 2.163 450 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 450 I C 2.817 178.931 176.117 -0.006 0.000 1.085 450 I CA 1.262 62.559 61.300 -0.006 0.000 1.347 450 I CB -0.340 37.644 38.000 -0.027 0.000 1.044 450 I HN 0.258 nan 8.210 nan 0.000 0.408 451 R N 1.035 121.520 120.500 -0.025 0.000 2.109 451 R HA -0.048 4.292 4.340 -0.000 0.000 0.227 451 R C 0.761 177.046 176.300 -0.026 0.000 1.132 451 R CA 1.413 57.498 56.100 -0.024 0.000 0.907 451 R CB 0.023 30.305 30.300 -0.030 0.000 0.825 451 R HN 0.205 nan 8.270 nan 0.000 0.432 452 I N -0.084 120.464 120.570 -0.037 0.000 2.502 452 I HA 0.281 4.451 4.170 -0.000 0.000 0.276 452 I C -0.538 175.538 176.117 -0.068 0.000 1.057 452 I CA -0.093 61.177 61.300 -0.049 0.000 1.163 452 I CB 1.763 39.740 38.000 -0.040 0.000 1.288 452 I HN 0.566 nan 8.210 nan 0.000 0.479 453 A N 3.869 126.640 122.820 -0.081 0.000 2.874 453 A HA -0.002 4.318 4.320 -0.000 0.000 0.210 453 A C 1.365 178.933 177.584 -0.026 0.000 2.743 453 A CA 0.214 52.205 52.037 -0.076 0.000 1.581 453 A CB -1.523 17.417 19.000 -0.100 0.000 0.205 453 A HN 0.712 nan 8.150 nan 0.000 0.576 454 G N 0.391 109.120 108.800 -0.119 0.000 2.442 454 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 454 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 454 G C 0.935 175.670 174.900 -0.274 0.000 1.141 454 G CA 1.482 46.517 45.100 -0.109 0.000 0.763 454 G HN 0.499 nan 8.290 nan 0.000 0.554 455 D N -0.391 119.595 120.400 -0.691 0.000 2.322 455 D HA -0.101 4.539 4.640 -0.000 0.000 0.210 455 D C 1.233 177.172 176.300 -0.603 0.000 0.983 455 D CA 0.881 54.444 54.000 -0.728 0.000 0.902 455 D CB -0.045 40.247 40.800 -0.847 0.000 0.905 455 D HN 0.553 nan 8.370 nan 0.000 0.483 456 Y N -0.925 119.294 120.300 -0.136 0.000 2.481 456 Y HA 0.183 4.733 4.550 -0.000 0.000 0.247 456 Y C 0.672 176.552 175.900 -0.033 0.000 1.151 456 Y CA -0.336 57.713 58.100 -0.085 0.000 1.238 456 Y CB 0.695 39.078 38.460 -0.130 0.000 1.179 456 Y HN -0.273 nan 8.280 nan 0.000 0.524 457 V N 2.366 122.335 119.914 0.093 0.000 2.439 457 V HA 0.228 4.348 4.120 -0.000 0.000 0.271 457 V C 0.401 176.562 176.094 0.113 0.000 1.040 457 V CA -0.541 61.818 62.300 0.098 0.000 1.002 457 V CB -0.123 31.762 31.823 0.103 0.000 1.000 457 V HN 0.369 nan 8.190 nan 0.000 0.477 458 S N 5.815 121.552 115.700 0.062 0.000 2.626 458 S HA 0.270 4.739 4.470 -0.000 0.000 0.257 458 S C 1.022 175.581 174.600 -0.068 0.000 1.288 458 S CA -0.478 57.724 58.200 0.003 0.000 0.980 458 S CB 0.539 63.712 63.200 -0.044 0.000 0.975 458 S HN 0.795 nan 8.310 nan 0.000 0.577 459 E N 1.142 121.170 120.200 -0.287 0.000 2.047 459 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 459 E C 1.957 177.824 176.600 -1.222 0.000 0.987 459 E CA 1.232 57.071 56.400 -0.934 0.000 0.799 459 E CB -0.467 28.690 29.700 -0.905 0.000 0.752 459 E HN 0.663 nan 8.360 nan 0.000 0.449 460 E N 0.516 120.349 120.200 -0.611 0.000 2.114 460 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 460 E C 2.234 178.676 176.600 -0.264 0.000 1.008 460 E CA 1.549 57.735 56.400 -0.356 0.000 0.810 460 E CB -0.313 29.298 29.700 -0.149 0.000 0.739 460 E HN 0.136 nan 8.360 nan 0.000 0.456 461 V N 0.637 120.443 119.914 -0.179 0.000 2.358 461 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 461 V C 2.148 178.267 176.094 0.042 0.000 1.047 461 V CA 1.905 64.191 62.300 -0.023 0.000 1.035 461 V CB -1.152 30.692 31.823 0.035 0.000 0.658 461 V HN 0.544 nan 8.190 nan 0.000 0.452 462 W N -1.081 120.159 121.300 -0.099 0.000 2.737 462 W HA 0.087 4.747 4.660 -0.000 0.000 0.262 462 W C 2.117 178.675 176.519 0.064 0.000 1.282 462 W CA -0.025 57.297 57.345 -0.038 0.000 1.386 462 W CB -0.909 28.514 29.460 -0.061 0.000 1.099 462 W HN 0.273 nan 8.180 nan 0.000 0.621 463 Y N 1.784 121.741 120.300 -0.571 0.000 2.128 463 Y HA -0.277 4.272 4.550 -0.000 0.000 0.284 463 Y C 2.939 178.688 175.900 -0.251 0.000 1.154 463 Y CA 1.621 59.397 58.100 -0.539 0.000 1.149 463 Y CB -0.444 37.656 38.460 -0.599 0.000 0.976 463 Y HN -0.121 nan 8.280 nan 0.000 0.505 464 R N 0.989 121.502 120.500 0.021 0.000 2.189 464 R HA -0.113 4.227 4.340 -0.000 0.000 0.223 464 R C 1.950 178.350 176.300 0.167 0.000 1.092 464 R CA 1.245 57.364 56.100 0.033 0.000 0.989 464 R CB -0.616 29.711 30.300 0.045 0.000 0.876 464 R HN 0.360 nan 8.270 nan 0.000 0.457 465 V N -1.987 118.087 119.914 0.267 0.000 2.346 465 V HA -0.077 4.043 4.120 -0.000 0.000 0.244 465 V C 2.109 178.398 176.094 0.325 0.000 1.037 465 V CA 1.470 64.002 62.300 0.387 0.000 1.029 465 V CB -0.615 31.365 31.823 0.262 0.000 0.663 465 V HN 0.205 nan 8.190 nan 0.000 0.454 466 I N 0.251 120.998 120.570 0.295 0.000 2.163 466 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 466 I C 2.916 179.183 176.117 0.250 0.000 1.085 466 I CA 2.458 63.961 61.300 0.340 0.000 1.347 466 I CB -0.420 37.768 38.000 0.313 0.000 1.044 466 I HN 0.427 nan 8.210 nan 0.000 0.408 467 Q N 1.015 120.807 119.800 -0.013 0.000 1.998 467 Q HA -0.260 4.080 4.340 -0.000 0.000 0.209 467 Q C 2.255 178.320 176.000 0.109 0.000 1.002 467 Q CA 2.371 58.060 55.803 -0.189 0.000 0.858 467 Q CB -0.157 28.339 28.738 -0.403 0.000 0.932 467 Q HN 0.478 nan 8.270 nan 0.000 0.416 468 I N -0.370 120.281 120.570 0.135 0.000 2.286 468 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 468 I C 2.131 178.385 176.117 0.229 0.000 1.115 468 I CA 0.698 62.098 61.300 0.167 0.000 1.392 468 I CB -0.185 37.900 38.000 0.141 0.000 1.065 468 I HN 0.156 nan 8.210 nan 0.000 0.418 469 V N 1.020 121.111 119.914 0.295 0.000 2.667 469 V HA -0.207 3.913 4.120 -0.000 0.000 0.252 469 V C 2.191 178.448 176.094 0.272 0.000 1.065 469 V CA 1.465 63.934 62.300 0.283 0.000 1.083 469 V CB -0.158 31.876 31.823 0.351 0.000 0.692 469 V HN 0.336 nan 8.190 nan 0.000 0.468 470 I N 0.096 120.898 120.570 0.386 0.000 2.353 470 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 470 I C 2.194 178.471 176.117 0.267 0.000 1.119 470 I CA 0.987 62.556 61.300 0.448 0.000 1.417 470 I CB -0.303 38.004 38.000 0.513 0.000 1.078 470 I HN 0.373 nan 8.210 nan 0.000 0.421 471 N N 0.891 119.712 118.700 0.202 0.000 2.124 471 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 471 N C 0.584 176.121 175.510 0.045 0.000 1.045 471 N CA 0.856 53.976 53.050 0.116 0.000 0.846 471 N CB -0.250 38.293 38.487 0.093 0.000 1.020 471 N HN 0.082 nan 8.380 nan 0.000 0.432 472 R N 1.958 122.468 120.500 0.017 0.000 2.489 472 R HA 0.004 4.344 4.340 -0.000 0.000 0.287 472 R C 0.471 176.754 176.300 -0.028 0.000 1.053 472 R CA 0.122 56.197 56.100 -0.042 0.000 1.036 472 R CB 0.507 30.764 30.300 -0.072 0.000 0.966 472 R HN 0.308 nan 8.270 nan 0.000 0.432 473 D N 1.432 121.804 120.400 -0.047 0.000 2.277 473 D HA -0.112 4.528 4.640 -0.000 0.000 0.209 473 D C 0.754 177.020 176.300 -0.058 0.000 0.970 473 D CA 0.567 54.524 54.000 -0.073 0.000 0.874 473 D CB 0.264 41.034 40.800 -0.050 0.000 0.982 473 D HN 0.582 nan 8.370 nan 0.000 0.504 474 D N 0.831 121.215 120.400 -0.025 0.000 2.420 474 D HA -0.120 4.520 4.640 -0.000 0.000 0.233 474 D C 1.469 177.793 176.300 0.040 0.000 1.017 474 D CA 0.658 54.660 54.000 0.002 0.000 0.951 474 D CB 0.024 40.826 40.800 0.004 0.000 0.877 474 D HN 0.288 nan 8.370 nan 0.000 0.528 475 V N -4.869 115.071 119.914 0.045 0.000 3.411 475 V HA 0.149 4.269 4.120 -0.000 0.000 0.287 475 V C 1.917 178.051 176.094 0.067 0.000 1.543 475 V CA -0.290 62.089 62.300 0.132 0.000 1.028 475 V CB -0.132 31.826 31.823 0.225 0.000 0.840 475 V HN -0.098 nan 8.190 nan 0.000 0.435 476 Q N 1.733 121.454 119.800 -0.132 0.000 2.291 476 Q HA 0.031 4.371 4.340 -0.000 0.000 0.206 476 Q C 2.121 178.035 176.000 -0.143 0.000 0.976 476 Q CA 1.915 57.481 55.803 -0.395 0.000 0.875 476 Q CB -0.165 27.994 28.738 -0.965 0.000 0.927 476 Q HN 0.792 nan 8.270 nan 0.000 0.450 477 G N 0.156 108.944 108.800 -0.020 0.000 2.456 477 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.213 477 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.213 477 G C 1.115 176.084 174.900 0.114 0.000 1.215 477 G CA 0.508 45.640 45.100 0.055 0.000 0.805 477 G HN 0.356 nan 8.290 nan 0.000 0.537 478 Y N 2.270 122.594 120.300 0.039 0.000 2.139 478 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 478 Y C 2.911 178.864 175.900 0.089 0.000 1.179 478 Y CA 1.769 59.910 58.100 0.067 0.000 1.161 478 Y CB -0.456 38.050 38.460 0.075 0.000 0.970 478 Y HN 0.255 nan 8.280 nan 0.000 0.511 479 A N 0.520 123.398 122.820 0.097 0.000 1.865 479 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 479 A C 2.483 180.095 177.584 0.047 0.000 1.191 479 A CA 2.277 54.343 52.037 0.048 0.000 0.623 479 A CB -1.643 17.457 19.000 0.168 0.000 0.826 479 A HN 0.661 nan 8.150 nan 0.000 0.444 480 A N -0.616 122.269 122.820 0.109 0.000 1.940 480 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 480 A C 2.144 179.789 177.584 0.102 0.000 1.176 480 A CA 2.084 54.209 52.037 0.148 0.000 0.631 480 A CB -0.419 18.681 19.000 0.167 0.000 0.814 480 A HN 0.578 nan 8.150 nan 0.000 0.446 481 K N -1.133 119.286 120.400 0.033 0.000 1.991 481 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 481 K C 2.125 178.739 176.600 0.022 0.000 1.045 481 K CA 1.720 58.029 56.287 0.036 0.000 0.937 481 K CB -0.367 32.134 32.500 0.002 0.000 0.720 481 K HN 0.412 nan 8.250 nan 0.000 0.438 482 T N 0.978 115.422 114.554 -0.183 0.000 2.684 482 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 482 T C 1.815 176.478 174.700 -0.062 0.000 1.036 482 T CA 1.377 63.345 62.100 -0.221 0.000 1.148 482 T CB -0.215 68.346 68.868 -0.512 0.000 0.863 482 T HN 0.001 nan 8.240 nan 0.000 0.436 483 V N 0.841 120.753 119.914 -0.004 0.000 2.594 483 V HA -0.102 4.018 4.120 -0.000 0.000 0.253 483 V C 1.900 178.056 176.094 0.102 0.000 1.069 483 V CA 1.415 63.748 62.300 0.055 0.000 1.082 483 V CB -0.592 31.295 31.823 0.107 0.000 0.680 483 V HN 0.514 nan 8.190 nan 0.000 0.469 484 F N 0.888 120.840 119.950 0.003 0.000 2.325 484 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 484 F C 2.156 177.956 175.800 0.001 0.000 1.090 484 F CA 1.598 59.608 58.000 0.017 0.000 1.392 484 F CB 0.055 39.071 39.000 0.026 0.000 1.053 484 F HN 0.245 nan 8.300 nan 0.000 0.521 485 E N -0.112 120.058 120.200 -0.051 0.000 2.140 485 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 485 E C 2.340 178.856 176.600 -0.142 0.000 0.973 485 E CA 0.679 56.998 56.400 -0.135 0.000 0.829 485 E CB -0.253 29.442 29.700 -0.009 0.000 0.781 485 E HN 0.406 nan 8.360 nan 0.000 0.466 486 A N 1.437 124.202 122.820 -0.092 0.000 1.930 486 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 486 A C 2.071 179.594 177.584 -0.102 0.000 1.175 486 A CA 0.749 52.739 52.037 -0.079 0.000 0.627 486 A CB -0.564 18.404 19.000 -0.054 0.000 0.815 486 A HN 0.155 nan 8.150 nan 0.000 0.443 487 L N -0.097 121.052 121.223 -0.124 0.000 2.642 487 L HA -0.163 4.177 4.340 -0.000 0.000 0.236 487 L C 2.288 179.050 176.870 -0.180 0.000 1.169 487 L CA 0.444 55.205 54.840 -0.132 0.000 0.851 487 L CB -0.253 41.738 42.059 -0.112 0.000 0.968 487 L HN 0.463 nan 8.230 nan 0.000 0.453 488 Q N -0.163 119.511 119.800 -0.211 0.000 2.212 488 Q HA 0.136 4.476 4.340 -0.000 0.000 0.199 488 Q C 1.114 177.043 176.000 -0.118 0.000 0.950 488 Q CA 0.512 56.194 55.803 -0.202 0.000 0.863 488 Q CB -0.001 28.599 28.738 -0.229 0.000 0.944 488 Q HN 0.437 nan 8.270 nan 0.000 0.465 489 A N 2.234 124.999 122.820 -0.092 0.000 2.448 489 A HA 0.159 4.479 4.320 -0.000 0.000 0.239 489 A C -1.459 176.091 177.584 -0.056 0.000 1.080 489 A CA -0.764 51.235 52.037 -0.062 0.000 0.779 489 A CB -0.048 18.923 19.000 -0.049 0.000 1.026 489 A HN 0.037 nan 8.150 nan 0.000 0.499 490 P HA 0.118 nan 4.420 nan 0.000 0.224 490 P C 1.256 178.537 177.300 -0.032 0.000 1.159 490 P CA 1.363 64.441 63.100 -0.037 0.000 0.824 490 P CB 0.232 31.915 31.700 -0.028 0.000 0.833 491 A N 0.787 123.591 122.820 -0.026 0.000 1.832 491 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 491 A C 0.783 178.357 177.584 -0.018 0.000 1.242 491 A CA 1.125 53.152 52.037 -0.017 0.000 0.603 491 A CB -1.462 17.533 19.000 -0.008 0.000 0.902 491 A HN 0.492 nan 8.150 nan 0.000 0.455 492 C N 0.292 119.583 119.300 -0.015 0.000 1.469 492 C HA -0.175 4.285 4.460 -0.000 0.000 0.186 492 C C 0.402 175.396 174.990 0.007 0.000 0.847 492 C CA -0.088 58.921 59.018 -0.014 0.000 3.436 492 C CB -2.947 24.767 27.740 -0.045 0.000 1.967 492 C HN 0.877 nan 8.230 nan 0.000 0.174 493 H N 2.344 121.361 119.070 -0.088 0.000 2.983 493 H HA -0.003 4.553 4.556 -0.000 0.000 0.361 493 H C 1.209 176.456 175.328 -0.134 0.000 1.145 493 H CA 1.246 57.231 56.048 -0.105 0.000 1.404 493 H CB 0.525 30.223 29.762 -0.106 0.000 1.356 493 H HN 0.957 nan 8.280 nan 0.000 0.612 494 E N 2.078 121.840 120.200 -0.729 0.000 2.204 494 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 494 E C 1.227 177.504 176.600 -0.539 0.000 0.990 494 E CA 1.035 57.108 56.400 -0.544 0.000 0.821 494 E CB 0.100 29.489 29.700 -0.519 0.000 0.750 494 E HN 0.551 nan 8.360 nan 0.000 0.477 495 N N 0.231 118.548 118.700 -0.639 0.000 2.453 495 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 495 N C 1.510 176.748 175.510 -0.453 0.000 1.041 495 N CA 0.436 53.141 53.050 -0.575 0.000 0.900 495 N CB -0.038 38.212 38.487 -0.396 0.000 0.961 495 N HN 0.254 nan 8.380 nan 0.000 0.443 496 L N 0.018 121.075 121.223 -0.276 0.000 2.049 496 L HA -0.020 4.320 4.340 -0.000 0.000 0.203 496 L C 1.893 178.654 176.870 -0.182 0.000 1.074 496 L CA 0.808 55.540 54.840 -0.180 0.000 0.749 496 L CB -0.285 41.711 42.059 -0.104 0.000 0.907 496 L HN -0.151 nan 8.230 nan 0.000 0.439 497 V N -0.124 119.676 119.914 -0.190 0.000 2.546 497 V HA -0.341 3.779 4.120 -0.000 0.000 0.254 497 V C 2.490 178.488 176.094 -0.160 0.000 1.076 497 V CA 1.913 64.128 62.300 -0.141 0.000 1.087 497 V CB -0.788 30.951 31.823 -0.141 0.000 0.674 497 V HN 0.425 nan 8.190 nan 0.000 0.470 498 K N -0.257 119.954 120.400 -0.315 0.000 1.980 498 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 498 K C 2.063 178.533 176.600 -0.217 0.000 1.043 498 K CA 1.443 57.492 56.287 -0.397 0.000 0.938 498 K CB -0.441 31.485 32.500 -0.956 0.000 0.724 498 K HN 0.299 nan 8.250 nan 0.000 0.438 499 V N 0.937 120.692 119.914 -0.266 0.000 2.469 499 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 499 V C 2.228 178.406 176.094 0.140 0.000 1.064 499 V CA 2.184 64.518 62.300 0.056 0.000 1.066 499 V CB -0.992 30.868 31.823 0.062 0.000 0.667 499 V HN 0.557 nan 8.190 nan 0.000 0.461 500 G N 0.070 108.905 108.800 0.058 0.000 2.404 500 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.214 500 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.214 500 G C 1.644 176.635 174.900 0.151 0.000 1.189 500 G CA 0.736 45.898 45.100 0.104 0.000 0.789 500 G HN 0.559 nan 8.290 nan 0.000 0.533 501 G N -0.329 108.544 108.800 0.122 0.000 2.442 501 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 501 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 501 G C 1.649 176.660 174.900 0.186 0.000 1.141 501 G CA 1.150 46.334 45.100 0.139 0.000 0.763 501 G HN 0.396 nan 8.290 nan 0.000 0.554 502 Y N 1.051 121.410 120.300 0.098 0.000 2.184 502 Y HA 0.069 4.619 4.550 -0.000 0.000 0.290 502 Y C 2.627 178.587 175.900 0.100 0.000 1.129 502 Y CA 0.832 58.998 58.100 0.109 0.000 1.144 502 Y CB -0.159 38.400 38.460 0.166 0.000 0.995 502 Y HN 0.124 nan 8.280 nan 0.000 0.513 503 I N -0.098 120.594 120.570 0.204 0.000 2.361 503 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 503 I C 1.864 178.074 176.117 0.155 0.000 1.133 503 I CA 1.339 62.753 61.300 0.190 0.000 1.413 503 I CB -0.354 37.833 38.000 0.312 0.000 1.073 503 I HN 0.307 nan 8.210 nan 0.000 0.424 504 L N -0.217 121.118 121.223 0.186 0.000 2.509 504 L HA 0.059 4.399 4.340 -0.000 0.000 0.222 504 L C 2.383 179.470 176.870 0.362 0.000 1.123 504 L CA 0.536 55.548 54.840 0.286 0.000 0.856 504 L CB -0.505 41.779 42.059 0.376 0.000 0.985 504 L HN 0.230 nan 8.230 nan 0.000 0.456 505 G N -0.636 108.242 108.800 0.131 0.000 2.411 505 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.213 505 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.213 505 G C 1.465 176.284 174.900 -0.135 0.000 1.166 505 G CA 0.054 45.207 45.100 0.089 0.000 0.802 505 G HN 0.132 nan 8.290 nan 0.000 0.533 506 E N 0.308 120.212 120.200 -0.493 0.000 2.014 506 E HA 0.104 4.454 4.350 -0.000 0.000 0.190 506 E C 0.996 177.221 176.600 -0.626 0.000 0.980 506 E CA 0.480 56.404 56.400 -0.792 0.000 0.807 506 E CB -0.223 28.562 29.700 -1.526 0.000 0.770 506 E HN 0.438 nan 8.360 nan 0.000 0.451 507 F N -1.278 118.674 119.950 0.004 0.000 2.511 507 F HA 0.484 5.011 4.527 -0.000 0.000 0.340 507 F C 1.850 177.703 175.800 0.087 0.000 1.094 507 F CA -0.261 57.764 58.000 0.042 0.000 1.119 507 F CB -0.060 38.972 39.000 0.054 0.000 1.775 507 F HN 0.204 nan 8.300 nan 0.000 0.536 508 G N 0.333 109.309 108.800 0.292 0.000 2.304 508 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.252 508 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.252 508 G C 0.853 175.849 174.900 0.161 0.000 1.014 508 G CA 0.832 46.044 45.100 0.186 0.000 0.619 508 G HN 0.889 nan 8.290 nan 0.000 0.525 509 N N 0.703 119.535 118.700 0.221 0.000 2.453 509 N HA 0.149 4.889 4.740 -0.000 0.000 0.183 509 N C 1.686 177.293 175.510 0.161 0.000 1.041 509 N CA 1.542 54.772 53.050 0.300 0.000 0.900 509 N CB -0.264 38.254 38.487 0.053 0.000 0.961 509 N HN 0.733 nan 8.380 nan 0.000 0.443 510 L N -2.042 119.254 121.223 0.121 0.000 2.783 510 L HA 0.471 4.811 4.340 -0.000 0.000 0.236 510 L C 0.579 177.469 176.870 0.034 0.000 1.225 510 L CA 0.283 55.168 54.840 0.075 0.000 1.026 510 L CB -0.495 41.615 42.059 0.085 0.000 1.314 510 L HN 0.293 nan 8.230 nan 0.000 0.489 511 I N -0.682 119.885 120.570 -0.006 0.000 4.661 511 I HA 0.226 4.396 4.170 -0.000 0.000 0.372 511 I C 1.370 177.394 176.117 -0.155 0.000 1.209 511 I CA 0.380 61.637 61.300 -0.072 0.000 1.313 511 I CB 0.704 38.654 38.000 -0.084 0.000 1.949 511 I HN 0.233 nan 8.210 nan 0.000 0.651 512 A N 0.315 123.048 122.820 -0.146 0.000 2.259 512 A HA 0.353 4.673 4.320 -0.000 0.000 0.208 512 A C 1.833 179.309 177.584 -0.179 0.000 1.201 512 A CA 0.899 52.779 52.037 -0.262 0.000 0.824 512 A CB -0.587 18.153 19.000 -0.433 0.000 0.838 512 A HN 0.428 nan 8.150 nan 0.000 0.485 513 G N -0.168 108.569 108.800 -0.105 0.000 2.551 513 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.214 513 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.214 513 G C 0.420 175.271 174.900 -0.080 0.000 1.250 513 G CA 0.545 45.602 45.100 -0.072 0.000 0.825 513 G HN 0.441 nan 8.290 nan 0.000 0.549 514 D N 1.317 121.673 120.400 -0.073 0.000 2.586 514 D HA 0.077 4.717 4.640 -0.000 0.000 0.234 514 D C -1.377 174.866 176.300 -0.095 0.000 1.132 514 D CA -1.320 52.640 54.000 -0.067 0.000 0.860 514 D CB 1.558 42.324 40.800 -0.058 0.000 1.159 514 D HN 0.024 nan 8.370 nan 0.000 0.490 515 P HA 0.028 nan 4.420 nan 0.000 0.236 515 P C 1.313 178.580 177.300 -0.054 0.000 1.177 515 P CA 0.132 63.188 63.100 -0.073 0.000 0.773 515 P CB 0.269 31.941 31.700 -0.046 0.000 0.878 516 R N 0.717 121.198 120.500 -0.033 0.000 2.153 516 R HA -0.118 4.222 4.340 -0.000 0.000 0.252 516 R C 0.675 176.970 176.300 -0.007 0.000 1.158 516 R CA 2.038 58.149 56.100 0.018 0.000 0.975 516 R CB -0.809 29.511 30.300 0.034 0.000 0.871 516 R HN 0.313 nan 8.270 nan 0.000 0.450 517 S N -0.654 114.922 115.700 -0.206 0.000 2.399 517 S HA 0.144 4.614 4.470 -0.000 0.000 0.198 517 S C -0.116 174.246 174.600 -0.397 0.000 1.294 517 S CA -0.646 57.232 58.200 -0.537 0.000 1.237 517 S CB 0.926 63.468 63.200 -1.097 0.000 1.286 517 S HN 0.215 nan 8.310 nan 0.000 0.404 518 S N 2.735 118.291 115.700 -0.240 0.000 2.563 518 S HA 0.194 4.664 4.470 -0.000 0.000 0.269 518 S C -0.776 173.600 174.600 -0.373 0.000 1.364 518 S CA -0.457 57.587 58.200 -0.260 0.000 1.010 518 S CB 0.366 63.470 63.200 -0.159 0.000 0.877 518 S HN 0.355 nan 8.310 nan 0.000 0.549 519 P HA -0.111 nan 4.420 nan 0.000 0.216 519 P C 1.656 178.753 177.300 -0.340 0.000 1.150 519 P CA 0.900 63.464 63.100 -0.893 0.000 0.837 519 P CB -0.078 30.865 31.700 -1.261 0.000 0.786 520 L N -1.295 119.817 121.223 -0.183 0.000 2.179 520 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 520 L C 2.227 179.152 176.870 0.090 0.000 1.096 520 L CA 1.340 56.177 54.840 -0.005 0.000 0.779 520 L CB -0.901 41.146 42.059 -0.019 0.000 0.922 520 L HN -0.245 nan 8.230 nan 0.000 0.443 521 I N -0.171 120.420 120.570 0.035 0.000 2.394 521 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 521 I C 2.438 178.682 176.117 0.212 0.000 1.136 521 I CA 1.265 62.631 61.300 0.110 0.000 1.425 521 I CB -1.135 36.919 38.000 0.090 0.000 1.079 521 I HN 0.489 nan 8.210 nan 0.000 0.425 522 Q N -0.653 119.263 119.800 0.193 0.000 2.049 522 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 522 Q C 2.282 178.503 176.000 0.369 0.000 0.971 522 Q CA 1.410 57.417 55.803 0.340 0.000 0.833 522 Q CB -0.365 28.540 28.738 0.280 0.000 0.896 522 Q HN 0.427 nan 8.270 nan 0.000 0.434 523 F N 2.305 122.412 119.950 0.261 0.000 2.161 523 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 523 F C 1.693 177.512 175.800 0.031 0.000 1.089 523 F CA 1.215 59.272 58.000 0.096 0.000 1.282 523 F CB -0.120 38.903 39.000 0.039 0.000 1.010 523 F HN 0.020 nan 8.300 nan 0.000 0.485 524 N N 0.770 119.495 118.700 0.042 0.000 2.223 524 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 524 N C 1.880 177.367 175.510 -0.038 0.000 1.016 524 N CA 1.344 54.370 53.050 -0.041 0.000 0.863 524 N CB -0.546 37.995 38.487 0.089 0.000 0.983 524 N HN 0.380 nan 8.380 nan 0.000 0.429 525 L N 1.010 122.257 121.223 0.041 0.000 2.023 525 L HA 0.046 4.386 4.340 -0.000 0.000 0.205 525 L C 1.958 178.836 176.870 0.013 0.000 1.073 525 L CA 1.323 56.188 54.840 0.041 0.000 0.745 525 L CB -0.786 41.340 42.059 0.111 0.000 0.900 525 L HN 0.056 nan 8.230 nan 0.000 0.435 526 L N -0.915 120.328 121.223 0.033 0.000 2.093 526 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 526 L C 2.661 179.571 176.870 0.067 0.000 1.085 526 L CA 1.497 56.376 54.840 0.064 0.000 0.755 526 L CB -0.899 41.237 42.059 0.128 0.000 0.904 526 L HN 0.492 nan 8.230 nan 0.000 0.435 527 H N -0.246 118.690 119.070 -0.223 0.000 2.495 527 H HA -0.098 4.458 4.556 -0.000 0.000 0.287 527 H C 2.352 177.651 175.328 -0.049 0.000 1.033 527 H CA 1.221 57.137 56.048 -0.220 0.000 1.307 527 H CB 0.521 29.844 29.762 -0.732 0.000 1.401 527 H HN 0.389 nan 8.280 nan 0.000 0.555 528 S N 0.316 115.964 115.700 -0.087 0.000 2.406 528 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 528 S C 1.757 176.327 174.600 -0.050 0.000 1.020 528 S CA 0.454 58.610 58.200 -0.074 0.000 0.965 528 S CB -0.030 63.150 63.200 -0.035 0.000 0.798 528 S HN 0.346 nan 8.310 nan 0.000 0.488 529 K N -0.188 120.196 120.400 -0.027 0.000 2.418 529 K HA 0.148 4.468 4.320 -0.000 0.000 0.195 529 K C 1.411 177.996 176.600 -0.025 0.000 1.035 529 K CA 0.247 56.517 56.287 -0.029 0.000 1.003 529 K CB -0.244 32.237 32.500 -0.031 0.000 0.793 529 K HN 0.426 nan 8.250 nan 0.000 0.494 530 F N 2.119 121.960 119.950 -0.181 0.000 2.014 530 F HA -0.155 4.372 4.527 -0.000 0.000 0.295 530 F C 1.545 177.216 175.800 -0.216 0.000 1.145 530 F CA 1.423 59.283 58.000 -0.233 0.000 1.178 530 F CB -0.196 38.603 39.000 -0.335 0.000 0.972 530 F HN 0.117 nan 8.300 nan 0.000 0.476 531 H N 3.422 122.509 119.070 0.028 0.000 4.288 531 H HA 0.162 4.718 4.556 -0.000 0.000 0.184 531 H C 0.345 175.612 175.328 -0.101 0.000 1.451 531 H CA 1.121 57.144 56.048 -0.042 0.000 1.364 531 H CB -1.143 28.628 29.762 0.015 0.000 1.615 531 H HN 0.485 nan 8.280 nan 0.000 0.800 532 L N -2.791 118.395 121.223 -0.062 0.000 4.292 532 L HA 0.140 4.480 4.340 -0.000 0.000 0.456 532 L C -1.206 175.585 176.870 -0.132 0.000 1.071 532 L CA -0.196 54.599 54.840 -0.075 0.000 1.614 532 L CB -1.029 41.005 42.059 -0.041 0.000 1.447 532 L HN 0.050 nan 8.230 nan 0.000 0.552 533 C N 1.603 120.773 119.300 -0.217 0.000 2.454 533 C HA 0.711 5.171 4.460 -0.000 0.000 0.336 533 C C 1.521 176.371 174.990 -0.233 0.000 1.189 533 C CA 0.220 59.101 59.018 -0.229 0.000 1.877 533 C CB 1.804 29.385 27.740 -0.266 0.000 2.348 533 C HN 0.696 nan 8.230 nan 0.000 0.508 534 S N 1.449 117.038 115.700 -0.184 0.000 2.560 534 S HA 0.054 4.524 4.470 -0.000 0.000 0.276 534 S C 1.049 175.545 174.600 -0.174 0.000 1.350 534 S CA -0.161 57.950 58.200 -0.149 0.000 1.024 534 S CB 0.298 63.430 63.200 -0.114 0.000 0.864 534 S HN 0.558 nan 8.310 nan 0.000 0.536 535 V N 2.816 122.651 119.914 -0.132 0.000 2.252 535 V HA -0.098 4.022 4.120 -0.000 0.000 0.249 535 V C -0.528 175.506 176.094 -0.099 0.000 1.056 535 V CA 2.170 64.395 62.300 -0.125 0.000 1.022 535 V CB -2.001 29.778 31.823 -0.074 0.000 0.641 535 V HN 0.784 nan 8.190 nan 0.000 0.445 536 P HA -0.128 nan 4.420 nan 0.000 0.220 536 P C 1.556 178.846 177.300 -0.017 0.000 1.144 536 P CA 1.619 64.714 63.100 -0.009 0.000 0.800 536 P CB -0.172 31.544 31.700 0.027 0.000 0.772 537 T N -1.742 112.760 114.554 -0.086 0.000 3.035 537 T HA 0.080 4.430 4.350 -0.000 0.000 0.259 537 T C 1.768 176.383 174.700 -0.141 0.000 1.078 537 T CA 0.545 62.576 62.100 -0.116 0.000 1.132 537 T CB -0.170 68.591 68.868 -0.178 0.000 0.900 537 T HN 0.115 nan 8.240 nan 0.000 0.480 538 R N 0.893 121.254 120.500 -0.232 0.000 2.119 538 R HA 0.196 4.536 4.340 -0.000 0.000 0.222 538 R C 2.671 178.970 176.300 -0.002 0.000 1.088 538 R CA 0.952 56.862 56.100 -0.317 0.000 0.984 538 R CB -0.204 29.669 30.300 -0.713 0.000 0.884 538 R HN 0.287 nan 8.270 nan 0.000 0.447 539 A N 1.316 124.125 122.820 -0.018 0.000 1.898 539 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 539 A C 1.987 179.607 177.584 0.060 0.000 1.181 539 A CA 0.846 52.900 52.037 0.027 0.000 0.620 539 A CB -0.371 18.637 19.000 0.013 0.000 0.819 539 A HN 0.212 nan 8.150 nan 0.000 0.442 540 L N -0.711 120.544 121.223 0.054 0.000 2.083 540 L HA -0.075 4.264 4.340 -0.000 0.000 0.209 540 L C 1.986 178.902 176.870 0.077 0.000 1.083 540 L CA 1.612 56.508 54.840 0.094 0.000 0.752 540 L CB -0.943 41.174 42.059 0.097 0.000 0.899 540 L HN 0.233 nan 8.230 nan 0.000 0.433 541 L N -0.806 120.429 121.223 0.019 0.000 2.056 541 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 541 L C 2.546 179.215 176.870 -0.335 0.000 1.078 541 L CA 1.505 56.294 54.840 -0.085 0.000 0.749 541 L CB -1.050 41.017 42.059 0.015 0.000 0.901 541 L HN 0.255 nan 8.230 nan 0.000 0.433 542 L N -1.556 119.538 121.223 -0.215 0.000 2.012 542 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 542 L C 2.556 179.575 176.870 0.248 0.000 1.073 542 L CA 1.295 56.074 54.840 -0.102 0.000 0.748 542 L CB -0.646 41.442 42.059 0.048 0.000 0.891 542 L HN 0.223 nan 8.230 nan 0.000 0.431 543 S N -0.710 115.183 115.700 0.323 0.000 2.380 543 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 543 S C 1.948 176.549 174.600 0.001 0.000 1.043 543 S CA 2.078 60.398 58.200 0.199 0.000 1.038 543 S CB -0.306 63.023 63.200 0.216 0.000 0.872 543 S HN 0.483 nan 8.310 nan 0.000 0.456 544 T N 0.729 115.305 114.554 0.037 0.000 2.777 544 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 544 T C 1.423 176.093 174.700 -0.050 0.000 1.040 544 T CA 1.041 63.131 62.100 -0.018 0.000 1.141 544 T CB -0.463 68.395 68.868 -0.017 0.000 0.868 544 T HN 0.541 nan 8.240 nan 0.000 0.444 545 Y N 0.111 120.302 120.300 -0.181 0.000 2.193 545 Y HA -0.152 4.398 4.550 -0.000 0.000 0.285 545 Y C 2.399 178.250 175.900 -0.082 0.000 1.166 545 Y CA 0.238 58.259 58.100 -0.131 0.000 1.181 545 Y CB -0.169 38.301 38.460 0.018 0.000 0.976 545 Y HN 0.153 nan 8.280 nan 0.000 0.520 546 I N 0.361 120.933 120.570 0.004 0.000 2.584 546 I HA -0.176 3.994 4.170 -0.000 0.000 0.255 546 I C 1.879 177.934 176.117 -0.103 0.000 1.145 546 I CA 1.215 62.429 61.300 -0.142 0.000 1.462 546 I CB -0.253 37.405 38.000 -0.570 0.000 1.102 546 I HN -0.040 nan 8.210 nan 0.000 0.433 547 K N -0.430 119.926 120.400 -0.075 0.000 2.211 547 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 547 K C 1.935 178.599 176.600 0.107 0.000 1.047 547 K CA 1.254 57.533 56.287 -0.013 0.000 0.935 547 K CB -0.268 32.234 32.500 0.004 0.000 0.728 547 K HN 0.209 nan 8.250 nan 0.000 0.452 548 F N 0.843 120.742 119.950 -0.085 0.000 2.098 548 F HA -0.138 4.389 4.527 -0.000 0.000 0.294 548 F C 2.331 178.060 175.800 -0.119 0.000 1.107 548 F CA 0.413 58.383 58.000 -0.052 0.000 1.234 548 F CB -0.995 38.085 39.000 0.133 0.000 1.002 548 F HN -0.286 nan 8.300 nan 0.000 0.472 549 V N 0.390 120.366 119.914 0.103 0.000 2.439 549 V HA -0.380 3.740 4.120 -0.000 0.000 0.253 549 V C 2.186 178.238 176.094 -0.070 0.000 1.074 549 V CA 2.196 64.491 62.300 -0.007 0.000 1.076 549 V CB -1.140 30.670 31.823 -0.021 0.000 0.664 549 V HN 0.487 nan 8.190 nan 0.000 0.461 550 N N -0.220 118.415 118.700 -0.108 0.000 2.092 550 N HA -0.125 4.615 4.740 -0.000 0.000 0.189 550 N C 1.796 177.161 175.510 -0.241 0.000 1.040 550 N CA 1.113 54.074 53.050 -0.149 0.000 0.845 550 N CB 0.002 38.400 38.487 -0.148 0.000 1.017 550 N HN 0.307 nan 8.380 nan 0.000 0.426 551 L N 0.154 121.112 121.223 -0.441 0.000 2.072 551 L HA 0.031 4.371 4.340 -0.000 0.000 0.205 551 L C 0.071 176.477 176.870 -0.773 0.000 1.079 551 L CA 1.372 55.734 54.840 -0.797 0.000 0.752 551 L CB -0.453 40.729 42.059 -1.461 0.000 0.906 551 L HN 0.150 nan 8.230 nan 0.000 0.436 552 F N -1.162 118.701 119.950 -0.144 0.000 2.564 552 F HA 0.341 4.868 4.527 -0.000 0.000 0.368 552 F C -1.672 174.061 175.800 -0.111 0.000 1.127 552 F CA -1.699 56.212 58.000 -0.149 0.000 1.170 552 F CB 0.624 39.491 39.000 -0.221 0.000 1.397 552 F HN -0.132 nan 8.300 nan 0.000 0.493 553 P HA -0.178 nan 4.420 nan 0.000 0.229 553 P C 1.174 178.471 177.300 -0.004 0.000 1.150 553 P CA 1.176 64.272 63.100 -0.007 0.000 0.765 553 P CB 0.117 31.805 31.700 -0.019 0.000 0.783 554 E N -0.277 119.933 120.200 0.016 0.000 2.072 554 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 554 E C 1.548 178.123 176.600 -0.041 0.000 0.982 554 E CA 1.521 57.914 56.400 -0.012 0.000 0.803 554 E CB -0.906 28.785 29.700 -0.014 0.000 0.755 554 E HN 0.239 nan 8.360 nan 0.000 0.453 555 V N -0.680 119.208 119.914 -0.043 0.000 3.633 555 V HA 0.151 4.271 4.120 -0.000 0.000 0.283 555 V C 2.090 178.090 176.094 -0.157 0.000 1.305 555 V CA 0.567 62.795 62.300 -0.121 0.000 1.153 555 V CB -0.304 31.433 31.823 -0.144 0.000 0.950 555 V HN 0.067 nan 8.190 nan 0.000 0.432 556 K N 1.525 121.873 120.400 -0.087 0.000 2.097 556 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 556 K C 2.181 178.720 176.600 -0.103 0.000 1.049 556 K CA 1.716 57.950 56.287 -0.087 0.000 0.933 556 K CB -0.447 32.023 32.500 -0.051 0.000 0.717 556 K HN 0.545 nan 8.250 nan 0.000 0.442 557 A N 0.670 123.436 122.820 -0.089 0.000 1.873 557 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 557 A C 2.212 179.732 177.584 -0.107 0.000 1.193 557 A CA 2.430 54.420 52.037 -0.078 0.000 0.629 557 A CB -1.211 17.753 19.000 -0.061 0.000 0.826 557 A HN 0.481 nan 8.150 nan 0.000 0.447 558 T N 0.112 114.566 114.554 -0.165 0.000 2.643 558 T HA -0.027 4.322 4.350 -0.000 0.000 0.256 558 T C 1.839 176.348 174.700 -0.318 0.000 1.061 558 T CA 1.322 63.291 62.100 -0.217 0.000 1.163 558 T CB -0.474 68.229 68.868 -0.275 0.000 0.865 558 T HN 0.375 nan 8.240 nan 0.000 0.407 559 I N 1.240 121.458 120.570 -0.587 0.000 2.300 559 I HA -0.316 3.854 4.170 -0.000 0.000 0.252 559 I C 2.799 178.792 176.117 -0.207 0.000 1.119 559 I CA 1.434 62.377 61.300 -0.596 0.000 1.384 559 I CB -0.434 37.219 38.000 -0.579 0.000 1.062 559 I HN 0.361 nan 8.210 nan 0.000 0.426 560 Q N 1.093 120.805 119.800 -0.146 0.000 2.020 560 Q HA -0.250 4.089 4.340 -0.000 0.000 0.202 560 Q C 0.969 176.953 176.000 -0.027 0.000 0.982 560 Q CA 2.195 57.964 55.803 -0.057 0.000 0.838 560 Q CB 0.027 28.737 28.738 -0.047 0.000 0.899 560 Q HN 0.712 nan 8.270 nan 0.000 0.423 561 D N -1.375 119.003 120.400 -0.036 0.000 2.370 561 D HA 0.011 4.651 4.640 -0.000 0.000 0.230 561 D C 0.818 177.124 176.300 0.011 0.000 1.143 561 D CA -0.009 53.989 54.000 -0.003 0.000 0.834 561 D CB 0.549 41.349 40.800 0.001 0.000 0.944 561 D HN 0.024 nan 8.370 nan 0.000 0.504 562 V N 0.057 119.970 119.914 -0.003 0.000 2.825 562 V HA -0.004 4.116 4.120 -0.000 0.000 0.246 562 V C 2.001 178.132 176.094 0.061 0.000 1.068 562 V CA 0.763 63.074 62.300 0.018 0.000 1.088 562 V CB -0.128 31.663 31.823 -0.054 0.000 0.733 562 V HN 0.365 nan 8.190 nan 0.000 0.468 563 L N -0.571 120.690 121.223 0.063 0.000 2.418 563 L HA 0.057 4.397 4.340 -0.000 0.000 0.218 563 L C 2.463 179.371 176.870 0.062 0.000 1.125 563 L CA 0.939 55.827 54.840 0.080 0.000 0.835 563 L CB -0.376 41.743 42.059 0.101 0.000 0.953 563 L HN 0.193 nan 8.230 nan 0.000 0.454 564 R N 0.323 120.853 120.500 0.051 0.000 2.189 564 R HA 0.036 4.376 4.340 -0.000 0.000 0.203 564 R C 1.123 177.453 176.300 0.051 0.000 1.012 564 R CA 0.271 56.397 56.100 0.043 0.000 1.015 564 R CB 0.388 30.706 30.300 0.030 0.000 0.938 564 R HN 0.349 nan 8.270 nan 0.000 0.472 565 S N 0.697 116.435 115.700 0.064 0.000 2.572 565 S HA 0.002 4.472 4.470 -0.000 0.000 0.279 565 S C 0.631 175.281 174.600 0.083 0.000 1.341 565 S CA -0.619 57.626 58.200 0.074 0.000 1.043 565 S CB 1.017 64.275 63.200 0.096 0.000 0.887 565 S HN 0.146 nan 8.310 nan 0.000 0.516 566 D N 2.625 123.068 120.400 0.071 0.000 2.133 566 D HA -0.163 4.477 4.640 -0.000 0.000 0.192 566 D C 2.011 178.365 176.300 0.091 0.000 1.001 566 D CA 1.867 55.907 54.000 0.067 0.000 0.844 566 D CB -0.816 40.015 40.800 0.052 0.000 0.944 566 D HN 0.672 nan 8.370 nan 0.000 0.447 567 S N 0.717 116.490 115.700 0.122 0.000 2.409 567 S HA -0.251 4.219 4.470 -0.000 0.000 0.237 567 S C 1.930 176.645 174.600 0.192 0.000 1.060 567 S CA 1.506 59.812 58.200 0.177 0.000 1.052 567 S CB -0.184 63.183 63.200 0.278 0.000 0.871 567 S HN 0.255 nan 8.310 nan 0.000 0.465 568 Q N 0.111 120.007 119.800 0.160 0.000 2.304 568 Q HA 0.355 4.695 4.340 -0.000 0.000 0.204 568 Q C 2.128 178.176 176.000 0.080 0.000 0.936 568 Q CA 0.592 56.474 55.803 0.130 0.000 0.878 568 Q CB -0.292 28.510 28.738 0.107 0.000 0.983 568 Q HN 0.423 nan 8.270 nan 0.000 0.516 569 L N 0.082 121.344 121.223 0.066 0.000 2.240 569 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 569 L C 1.074 177.966 176.870 0.036 0.000 1.106 569 L CA 1.079 55.944 54.840 0.042 0.000 0.793 569 L CB 0.037 42.119 42.059 0.038 0.000 0.927 569 L HN 0.108 nan 8.230 nan 0.000 0.446 570 K N -0.872 119.555 120.400 0.045 0.000 2.399 570 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 570 K C 0.344 176.968 176.600 0.041 0.000 1.023 570 K CA -0.385 55.923 56.287 0.037 0.000 1.127 570 K CB 0.137 32.657 32.500 0.035 0.000 0.856 570 K HN 0.081 nan 8.250 nan 0.000 0.514 571 N N 1.634 120.366 118.700 0.054 0.000 2.232 571 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 571 N C 0.652 176.182 175.510 0.034 0.000 1.242 571 N CA 0.347 53.432 53.050 0.058 0.000 0.837 571 N CB 0.892 39.421 38.487 0.069 0.000 1.079 571 N HN 0.257 nan 8.380 nan 0.000 0.461 572 A N 2.490 125.328 122.820 0.030 0.000 2.123 572 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 572 A C 0.658 178.247 177.584 0.009 0.000 1.152 572 A CA 0.386 52.433 52.037 0.016 0.000 0.728 572 A CB -0.006 19.002 19.000 0.013 0.000 0.814 572 A HN 0.723 nan 8.150 nan 0.000 0.464 573 D N -0.084 120.322 120.400 0.009 0.000 2.256 573 D HA 0.277 4.917 4.640 -0.000 0.000 0.250 573 D C 1.672 177.970 176.300 -0.002 0.000 1.093 573 D CA 0.419 54.419 54.000 -0.000 0.000 0.882 573 D CB 1.704 42.500 40.800 -0.006 0.000 1.185 573 D HN 0.103 nan 8.370 nan 0.000 0.437 574 V N 2.635 122.545 119.914 -0.006 0.000 2.233 574 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 574 V C 2.020 178.103 176.094 -0.019 0.000 1.050 574 V CA 1.872 64.165 62.300 -0.011 0.000 1.010 574 V CB -0.920 30.897 31.823 -0.011 0.000 0.637 574 V HN 0.540 nan 8.190 nan 0.000 0.444 575 E N 0.509 120.698 120.200 -0.019 0.000 2.097 575 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 575 E C 1.870 178.448 176.600 -0.037 0.000 1.000 575 E CA 1.692 58.075 56.400 -0.027 0.000 0.804 575 E CB -0.545 29.144 29.700 -0.018 0.000 0.740 575 E HN 0.525 nan 8.360 nan 0.000 0.454 576 L N 0.626 121.837 121.223 -0.020 0.000 2.093 576 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 576 L C 2.404 179.264 176.870 -0.017 0.000 1.085 576 L CA 1.737 56.573 54.840 -0.007 0.000 0.755 576 L CB -0.849 41.224 42.059 0.024 0.000 0.904 576 L HN 0.303 nan 8.230 nan 0.000 0.435 577 Q N -1.721 118.069 119.800 -0.017 0.000 2.245 577 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 577 Q C 2.013 177.982 176.000 -0.051 0.000 0.955 577 Q CA 0.637 56.429 55.803 -0.018 0.000 0.870 577 Q CB 0.293 29.029 28.738 -0.005 0.000 0.945 577 Q HN 0.466 nan 8.270 nan 0.000 0.461 578 Q N 0.546 120.303 119.800 -0.071 0.000 1.965 578 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 578 Q C 2.071 177.951 176.000 -0.200 0.000 0.981 578 Q CA 1.408 57.149 55.803 -0.103 0.000 0.834 578 Q CB -0.240 28.446 28.738 -0.088 0.000 0.900 578 Q HN 0.244 nan 8.270 nan 0.000 0.426 579 R N 0.582 120.919 120.500 -0.271 0.000 2.133 579 R HA -0.194 4.146 4.340 -0.000 0.000 0.247 579 R C 2.184 178.136 176.300 -0.579 0.000 1.151 579 R CA 1.704 57.451 56.100 -0.589 0.000 0.971 579 R CB -0.675 29.369 30.300 -0.428 0.000 0.866 579 R HN 0.340 nan 8.270 nan 0.000 0.447 580 A N -0.048 122.635 122.820 -0.229 0.000 1.832 580 A HA -0.119 4.201 4.320 -0.000 0.000 0.214 580 A C 2.309 179.860 177.584 -0.055 0.000 1.200 580 A CA 1.662 53.647 52.037 -0.086 0.000 0.610 580 A CB -0.888 18.105 19.000 -0.011 0.000 0.842 580 A HN 0.106 nan 8.150 nan 0.000 0.444 581 V N 0.393 120.275 119.914 -0.052 0.000 2.278 581 V HA -0.346 3.774 4.120 -0.000 0.000 0.251 581 V C 2.468 178.551 176.094 -0.018 0.000 1.062 581 V CA 2.557 64.843 62.300 -0.023 0.000 1.038 581 V CB -1.059 30.751 31.823 -0.023 0.000 0.646 581 V HN 0.640 nan 8.190 nan 0.000 0.447 582 E N -0.900 119.255 120.200 -0.075 0.000 2.017 582 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 582 E C 2.281 178.954 176.600 0.122 0.000 0.997 582 E CA 1.704 58.090 56.400 -0.023 0.000 0.804 582 E CB -0.253 29.384 29.700 -0.105 0.000 0.757 582 E HN 0.649 nan 8.360 nan 0.000 0.448 583 Y N 0.351 120.664 120.300 0.020 0.000 2.274 583 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 583 Y C 2.206 178.118 175.900 0.020 0.000 1.145 583 Y CA 0.487 58.601 58.100 0.023 0.000 1.203 583 Y CB -0.802 37.679 38.460 0.034 0.000 0.984 583 Y HN 0.128 nan 8.280 nan 0.000 0.533 584 L N 0.285 121.610 121.223 0.170 0.000 2.072 584 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 584 L C 2.388 179.300 176.870 0.070 0.000 1.079 584 L CA 1.575 56.474 54.840 0.098 0.000 0.752 584 L CB -0.663 41.436 42.059 0.067 0.000 0.906 584 L HN -0.115 nan 8.230 nan 0.000 0.436 585 R N 0.191 120.730 120.500 0.066 0.000 2.080 585 R HA -0.140 4.200 4.340 -0.000 0.000 0.236 585 R C 2.175 178.505 176.300 0.050 0.000 1.137 585 R CA 2.252 58.380 56.100 0.047 0.000 0.943 585 R CB -1.052 29.271 30.300 0.039 0.000 0.846 585 R HN 0.602 nan 8.270 nan 0.000 0.431 586 L N -0.382 120.884 121.223 0.072 0.000 2.492 586 L HA 0.191 4.531 4.340 -0.000 0.000 0.223 586 L C 1.715 178.608 176.870 0.038 0.000 1.132 586 L CA 1.758 56.632 54.840 0.056 0.000 0.850 586 L CB -0.733 41.368 42.059 0.071 0.000 0.966 586 L HN 0.163 nan 8.230 nan 0.000 0.454 587 S N -1.897 113.830 115.700 0.045 0.000 2.481 587 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 587 S C 1.592 176.199 174.600 0.011 0.000 0.996 587 S CA 1.213 59.425 58.200 0.020 0.000 0.942 587 S CB -0.696 62.518 63.200 0.024 0.000 0.768 587 S HN 0.573 nan 8.310 nan 0.000 0.520 588 T N 1.000 115.565 114.554 0.018 0.000 2.980 588 T HA 0.228 4.578 4.350 -0.000 0.000 0.239 588 T C 1.772 176.478 174.700 0.009 0.000 1.011 588 T CA 0.871 62.978 62.100 0.011 0.000 1.171 588 T CB -0.271 68.605 68.868 0.014 0.000 0.873 588 T HN 0.222 nan 8.240 nan 0.000 0.431 589 V N 1.891 121.812 119.914 0.013 0.000 2.488 589 V HA 0.228 4.348 4.120 -0.000 0.000 0.246 589 V C 1.508 177.605 176.094 0.006 0.000 1.046 589 V CA 0.610 62.916 62.300 0.010 0.000 1.053 589 V CB -0.841 30.990 31.823 0.013 0.000 0.679 589 V HN 0.511 nan 8.190 nan 0.000 0.458 590 A N 0.615 123.439 122.820 0.008 0.000 2.483 590 A HA 0.284 4.604 4.320 -0.000 0.000 0.238 590 A C 0.802 178.383 177.584 -0.004 0.000 1.070 590 A CA 0.103 52.142 52.037 0.002 0.000 0.770 590 A CB -0.059 18.942 19.000 0.003 0.000 1.008 590 A HN 0.440 nan 8.150 nan 0.000 0.497 591 S N 1.426 117.122 115.700 -0.006 0.000 2.568 591 S HA 0.100 4.570 4.470 -0.000 0.000 0.282 591 S C 1.447 176.038 174.600 -0.015 0.000 1.338 591 S CA 0.185 58.379 58.200 -0.010 0.000 1.045 591 S CB 0.733 63.927 63.200 -0.010 0.000 0.873 591 S HN 0.753 nan 8.310 nan 0.000 0.516 592 T N 1.940 116.484 114.554 -0.018 0.000 2.881 592 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 592 T C 1.035 175.718 174.700 -0.027 0.000 1.068 592 T CA 1.346 63.431 62.100 -0.024 0.000 1.131 592 T CB -0.270 68.583 68.868 -0.025 0.000 0.871 592 T HN 0.527 nan 8.240 nan 0.000 0.479 593 D N 0.734 121.121 120.400 -0.022 0.000 2.110 593 D HA 0.036 4.676 4.640 -0.000 0.000 0.202 593 D C 1.960 178.246 176.300 -0.022 0.000 0.975 593 D CA 0.355 54.342 54.000 -0.022 0.000 0.839 593 D CB -0.398 40.392 40.800 -0.017 0.000 0.996 593 D HN 0.153 nan 8.370 nan 0.000 0.464 594 I N 0.867 121.427 120.570 -0.018 0.000 2.264 594 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 594 I C 2.204 178.309 176.117 -0.020 0.000 1.111 594 I CA 0.851 62.141 61.300 -0.015 0.000 1.382 594 I CB -0.382 37.612 38.000 -0.009 0.000 1.060 594 I HN 0.020 nan 8.210 nan 0.000 0.418 595 L N 0.072 121.281 121.223 -0.024 0.000 1.989 595 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 595 L C 2.506 179.350 176.870 -0.045 0.000 1.071 595 L CA 1.909 56.730 54.840 -0.032 0.000 0.749 595 L CB -0.571 41.467 42.059 -0.035 0.000 0.890 595 L HN 0.262 nan 8.230 nan 0.000 0.431 596 A N -1.109 121.682 122.820 -0.049 0.000 2.084 596 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 596 A C 2.136 179.691 177.584 -0.048 0.000 1.161 596 A CA 2.263 54.266 52.037 -0.057 0.000 0.653 596 A CB -0.946 18.020 19.000 -0.056 0.000 0.802 596 A HN 0.604 nan 8.150 nan 0.000 0.457 597 T N -1.033 113.499 114.554 -0.036 0.000 2.851 597 T HA -0.039 4.311 4.350 -0.000 0.000 0.262 597 T C 1.814 176.497 174.700 -0.029 0.000 1.043 597 T CA 1.177 63.259 62.100 -0.029 0.000 1.140 597 T CB -0.437 68.418 68.868 -0.021 0.000 0.872 597 T HN 0.134 nan 8.240 nan 0.000 0.446 598 V N 1.457 121.355 119.914 -0.028 0.000 2.343 598 V HA -0.003 4.117 4.120 -0.000 0.000 0.247 598 V C 1.829 177.901 176.094 -0.037 0.000 1.051 598 V CA 1.419 63.705 62.300 -0.024 0.000 1.036 598 V CB -0.530 31.284 31.823 -0.015 0.000 0.654 598 V HN 0.435 nan 8.190 nan 0.000 0.451 599 L N -0.265 120.925 121.223 -0.055 0.000 2.848 599 L HA 0.238 4.578 4.340 -0.000 0.000 0.240 599 L C 0.985 177.812 176.870 -0.073 0.000 1.232 599 L CA -0.090 54.706 54.840 -0.074 0.000 1.031 599 L CB -0.267 41.732 42.059 -0.101 0.000 1.338 599 L HN 0.306 nan 8.230 nan 0.000 0.509 600 E N 1.132 121.299 120.200 -0.055 0.000 2.665 600 E HA -0.149 4.201 4.350 -0.000 0.000 0.269 600 E C 0.779 177.348 176.600 -0.051 0.000 1.432 600 E CA 0.442 56.813 56.400 -0.048 0.000 1.176 600 E CB 0.430 30.110 29.700 -0.033 0.000 0.966 600 E HN 0.410 nan 8.360 nan 0.000 0.581 601 E N 0.521 120.700 120.200 -0.035 0.000 2.494 601 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 601 E C -0.422 176.164 176.600 -0.023 0.000 1.074 601 E CA -0.031 56.350 56.400 -0.033 0.000 0.867 601 E CB -0.049 29.659 29.700 0.014 0.000 0.924 601 E HN 0.264 nan 8.360 nan 0.000 0.502 602 M N 0.243 119.828 119.600 -0.024 0.000 4.047 602 M HA -0.115 4.365 4.480 -0.000 0.000 0.157 602 M C -2.317 173.983 176.300 0.000 0.000 1.532 602 M CA 0.040 55.330 55.300 -0.017 0.000 1.097 602 M CB -1.405 31.194 32.600 -0.000 0.000 1.346 602 M HN 0.066 nan 8.290 nan 0.000 0.191 603 P HA 0.363 nan 4.420 nan 0.000 0.274 603 P C -2.182 175.114 177.300 -0.006 0.000 1.264 603 P CA -0.613 62.474 63.100 -0.022 0.000 0.795 603 P CB -0.136 31.528 31.700 -0.059 0.000 1.064 604 P HA 0.191 nan 4.420 nan 0.000 0.274 604 P C -0.765 176.554 177.300 0.031 0.000 1.256 604 P CA -0.057 63.094 63.100 0.086 0.000 0.795 604 P CB 0.258 32.008 31.700 0.084 0.000 1.038 605 F N 1.036 121.022 119.950 0.059 0.000 2.411 605 F HA 0.292 4.819 4.527 -0.000 0.000 0.350 605 F C -1.553 174.261 175.800 0.022 0.000 1.114 605 F CA -1.799 56.224 58.000 0.038 0.000 1.135 605 F CB 0.430 39.457 39.000 0.044 0.000 1.120 605 F HN 0.164 nan 8.300 nan 0.000 0.495 606 P HA -0.034 nan 4.420 nan 0.000 0.260 606 P C -0.662 176.712 177.300 0.123 0.000 1.207 606 P CA 0.075 63.234 63.100 0.097 0.000 0.780 606 P CB 0.300 32.032 31.700 0.053 0.000 0.789 607 E N 4.271 124.521 120.200 0.084 0.000 1.896 607 E HA -0.025 4.325 4.350 -0.000 0.000 0.276 607 E C 0.328 176.957 176.600 0.049 0.000 1.171 607 E CA 0.187 56.626 56.400 0.065 0.000 1.118 607 E CB -0.234 29.491 29.700 0.041 0.000 1.077 607 E HN 0.331 nan 8.360 nan 0.000 0.452 608 R N 2.042 122.577 120.500 0.057 0.000 2.538 608 R HA -0.130 4.210 4.340 -0.000 0.000 0.273 608 R C 0.814 177.129 176.300 0.025 0.000 0.967 608 R CA 1.017 57.141 56.100 0.041 0.000 1.101 608 R CB 0.259 30.584 30.300 0.041 0.000 0.908 608 R HN 0.515 nan 8.270 nan 0.000 0.411 609 E N 1.055 121.267 120.200 0.020 0.000 2.393 609 E HA 0.325 4.675 4.350 -0.000 0.000 0.273 609 E C -1.193 175.414 176.600 0.011 0.000 0.918 609 E CA -1.006 55.402 56.400 0.014 0.000 0.773 609 E CB 1.458 31.165 29.700 0.012 0.000 1.275 609 E HN 0.348 nan 8.360 nan 0.000 0.451 610 S N 1.346 117.052 115.700 0.009 0.000 2.560 610 S HA 0.158 4.628 4.470 -0.000 0.000 0.284 610 S C -0.064 174.541 174.600 0.008 0.000 1.327 610 S CA -0.336 57.869 58.200 0.008 0.000 1.055 610 S CB 0.425 63.629 63.200 0.007 0.000 0.868 610 S HN 0.560 nan 8.310 nan 0.000 0.506 611 S N 1.909 117.614 115.700 0.008 0.000 2.525 611 S HA 0.503 4.973 4.470 -0.000 0.000 0.278 611 S C -0.173 174.432 174.600 0.007 0.000 1.234 611 S CA -0.917 57.287 58.200 0.007 0.000 1.058 611 S CB 0.213 63.417 63.200 0.007 0.000 0.983 611 S HN 0.565 nan 8.310 nan 0.000 0.495 612 I N 3.644 124.218 120.570 0.007 0.000 2.329 612 I HA 0.070 4.240 4.170 -0.000 0.000 0.295 612 I C 1.107 177.228 176.117 0.007 0.000 1.109 612 I CA -0.286 61.018 61.300 0.006 0.000 1.297 612 I CB 0.163 38.167 38.000 0.006 0.000 1.433 612 I HN 0.677 nan 8.210 nan 0.000 0.509 613 L N 5.609 126.836 121.223 0.007 0.000 2.156 613 L HA 0.094 4.433 4.340 -0.000 0.000 0.208 613 L C 0.967 177.841 176.870 0.007 0.000 1.095 613 L CA 0.691 55.535 54.840 0.007 0.000 0.770 613 L CB -0.192 41.871 42.059 0.008 0.000 0.914 613 L HN 0.750 nan 8.230 nan 0.000 0.439 614 A N -0.015 122.809 122.820 0.007 0.000 2.530 614 A HA 0.512 4.832 4.320 -0.000 0.000 0.297 614 A C -0.931 176.658 177.584 0.007 0.000 1.059 614 A CA -0.598 51.443 52.037 0.007 0.000 0.782 614 A CB 1.457 20.461 19.000 0.008 0.000 1.301 614 A HN 0.009 nan 8.150 nan 0.000 0.394 615 K N 2.103 122.507 120.400 0.007 0.000 2.435 615 K HA 0.631 4.951 4.320 -0.000 0.000 0.251 615 K C -1.387 175.217 176.600 0.007 0.000 0.954 615 K CA -0.946 55.345 56.287 0.006 0.000 0.820 615 K CB 1.588 34.091 32.500 0.006 0.000 1.292 615 K HN 0.566 nan 8.250 nan 0.000 0.436 616 L N 4.560 125.787 121.223 0.007 0.000 2.600 616 L HA 0.089 4.429 4.340 -0.000 0.000 0.278 616 L C 0.394 177.268 176.870 0.006 0.000 1.139 616 L CA 0.990 55.834 54.840 0.007 0.000 0.933 616 L CB -0.177 41.886 42.059 0.007 0.000 1.266 616 L HN 0.678 nan 8.230 nan 0.000 0.471 617 K N 2.732 123.136 120.400 0.006 0.000 4.501 617 K HA 0.164 4.484 4.320 -0.000 0.000 0.199 617 K C 0.350 176.953 176.600 0.006 0.000 1.152 617 K CA -0.658 55.632 56.287 0.006 0.000 1.896 617 K CB 0.001 32.504 32.500 0.005 0.000 2.663 617 K HN 0.194 nan 8.250 nan 0.000 0.544 618 K N 2.936 123.339 120.400 0.005 0.000 3.296 618 K HA -0.104 4.216 4.320 -0.000 0.000 0.275 618 K C -0.445 176.158 176.600 0.006 0.000 0.901 618 K CA 0.618 56.908 56.287 0.005 0.000 1.049 618 K CB -0.965 31.538 32.500 0.005 0.000 1.134 618 K HN 0.437 nan 8.250 nan 0.000 0.318 619 K N -0.284 120.120 120.400 0.006 0.000 3.129 619 K HA -0.259 4.061 4.320 -0.000 0.000 0.273 619 K C -1.463 175.142 176.600 0.007 0.000 1.123 619 K CA 1.765 58.056 56.287 0.007 0.000 0.800 619 K CB -2.140 30.364 32.500 0.006 0.000 1.238 619 K HN 0.577 nan 8.250 nan 0.000 0.492 620 K N -2.718 117.686 120.400 0.007 0.000 2.597 620 K HA 0.453 4.773 4.320 -0.000 0.000 0.282 620 K C 0.913 177.518 176.600 0.008 0.000 0.975 620 K CA -0.760 55.532 56.287 0.008 0.000 0.867 620 K CB 1.069 33.574 32.500 0.008 0.000 1.465 620 K HN -0.037 nan 8.250 nan 0.000 0.417 621 G N 1.834 110.639 108.800 0.009 0.000 2.875 621 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 621 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 621 G C 0.701 175.606 174.900 0.008 0.000 1.293 621 G CA 1.028 46.134 45.100 0.009 0.000 0.789 621 G HN 0.836 nan 8.290 nan 0.000 0.677 622 G N -0.483 108.322 108.800 0.008 0.000 2.414 622 G HA2 0.368 4.328 3.960 -0.000 0.000 0.236 622 G HA3 0.368 4.328 3.960 -0.000 0.000 0.236 622 G C 0.235 175.139 174.900 0.007 0.000 1.293 622 G CA 0.770 45.875 45.100 0.008 0.000 0.869 622 G HN 0.630 nan 8.290 nan 0.000 0.556 623 S N 0.000 115.704 115.700 0.007 0.000 2.498 623 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 623 S CA 0.000 58.204 58.200 0.006 0.000 1.107 623 S CB 0.000 63.204 63.200 0.006 0.000 0.593 623 S HN 0.000 nan 8.310 nan 0.000 0.517