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 3nci_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLYGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.353 176.300 0.089 0.000 1.140 1 M CA 0.000 55.340 55.300 0.067 0.000 0.988 1 M CB 0.000 32.657 32.600 0.096 0.000 1.302 2 K N 2.206 122.664 120.400 0.097 0.000 2.350 2 K HA 0.288 4.611 4.320 0.005 0.000 0.279 2 K C -0.485 176.302 176.600 0.312 0.000 1.027 2 K CA 0.161 56.522 56.287 0.123 0.000 0.969 2 K CB 0.747 33.276 32.500 0.049 0.000 0.954 2 K HN 0.711 nan 8.250 nan 0.000 0.474 3 E N 2.103 122.520 120.200 0.362 0.000 2.404 3 E HA 0.165 4.518 4.350 0.005 0.000 0.261 3 E C -0.349 176.661 176.600 0.683 0.000 1.074 3 E CA 0.057 56.736 56.400 0.464 0.000 0.917 3 E CB 0.333 30.309 29.700 0.460 0.000 0.965 3 E HN 0.351 nan 8.360 nan 0.000 0.433 4 F N -0.591 119.557 119.950 0.331 0.000 2.619 4 F HA 0.378 4.908 4.527 0.006 0.000 0.308 4 F C -0.873 174.936 175.800 0.015 0.000 1.097 4 F CA -1.687 56.301 58.000 -0.021 0.000 0.953 4 F CB 0.327 39.176 39.000 -0.252 0.000 1.287 4 F HN 0.403 nan 8.300 nan 0.000 0.446 5 Y N 1.504 121.694 120.300 -0.183 0.000 2.357 5 Y HA 0.604 5.157 4.550 0.005 0.000 0.340 5 Y C -0.056 176.016 175.900 0.286 0.000 1.260 5 Y CA -0.915 57.248 58.100 0.104 0.000 1.425 5 Y CB 0.455 38.937 38.460 0.037 0.000 1.326 5 Y HN 0.739 nan 8.280 nan 0.000 0.580 6 L N 0.839 122.271 121.223 0.348 0.000 2.519 6 L HA 0.229 4.572 4.340 0.005 0.000 0.194 6 L C 0.553 177.615 176.870 0.320 0.000 1.072 6 L CA 0.754 55.749 54.840 0.258 0.000 0.845 6 L CB 0.200 42.352 42.059 0.155 0.000 1.138 6 L HN 0.920 nan 8.230 nan 0.000 0.487 7 T N -2.613 112.153 114.554 0.352 0.000 2.903 7 T HA 0.657 5.010 4.350 0.005 0.000 0.299 7 T C -1.097 173.780 174.700 0.295 0.000 1.093 7 T CA -0.654 61.623 62.100 0.296 0.000 1.002 7 T CB 2.608 71.607 68.868 0.217 0.000 1.127 7 T HN -0.151 nan 8.240 nan 0.000 0.488 8 V N 0.989 121.014 119.914 0.185 0.000 2.841 8 V HA 0.753 4.876 4.120 0.005 0.000 0.310 8 V C -1.730 174.419 176.094 0.092 0.000 1.090 8 V CA -0.478 61.890 62.300 0.114 0.000 0.930 8 V CB 1.897 33.734 31.823 0.022 0.000 1.014 8 V HN 1.076 nan 8.190 nan 0.000 0.425 9 E N 3.905 124.169 120.200 0.107 0.000 2.383 9 E HA 0.354 4.707 4.350 0.005 0.000 0.275 9 E C -1.528 175.164 176.600 0.153 0.000 0.918 9 E CA -0.631 55.868 56.400 0.166 0.000 0.764 9 E CB 2.530 32.441 29.700 0.351 0.000 1.252 9 E HN 0.748 nan 8.360 nan 0.000 0.449 10 Q N 2.186 122.105 119.800 0.199 0.000 2.314 10 Q HA 0.484 4.827 4.340 0.005 0.000 0.259 10 Q C -0.950 175.200 176.000 0.251 0.000 0.951 10 Q CA -0.352 55.567 55.803 0.194 0.000 0.909 10 Q CB 0.649 29.497 28.738 0.183 0.000 1.236 10 Q HN 0.492 nan 8.270 nan 0.000 0.444 11 I N 5.130 125.832 120.570 0.219 0.000 2.495 11 I HA 0.341 4.514 4.170 0.005 0.000 0.277 11 I C 0.788 176.971 176.117 0.110 0.000 1.045 11 I CA -0.282 61.084 61.300 0.110 0.000 1.135 11 I CB 1.066 39.073 38.000 0.011 0.000 1.241 11 I HN 1.036 nan 8.210 nan 0.000 0.469 12 G N 5.568 114.405 108.800 0.063 0.000 2.596 12 G HA2 -0.308 3.655 3.960 0.005 0.000 0.304 12 G HA3 -0.308 3.655 3.960 0.005 0.000 0.304 12 G C 0.428 175.359 174.900 0.051 0.000 1.189 12 G CA 0.466 45.595 45.100 0.048 0.000 0.986 12 G HN 0.563 nan 8.290 nan 0.000 0.548 13 D N 1.486 121.901 120.400 0.025 0.000 2.325 13 D HA 0.411 5.055 4.640 0.005 0.000 0.225 13 D C 0.528 176.816 176.300 -0.020 0.000 1.096 13 D CA 0.765 54.761 54.000 -0.007 0.000 0.844 13 D CB 0.409 41.193 40.800 -0.027 0.000 0.925 13 D HN 0.252 nan 8.370 nan 0.000 0.513 14 S N 0.345 116.041 115.700 -0.008 0.000 2.503 14 S HA 0.433 4.907 4.470 0.005 0.000 0.301 14 S C -0.178 174.353 174.600 -0.115 0.000 1.087 14 S CA -0.689 57.439 58.200 -0.119 0.000 1.042 14 S CB 1.939 64.993 63.200 -0.243 0.000 1.043 14 S HN -0.018 nan 8.310 nan 0.000 0.489 15 I N 3.115 123.527 120.570 -0.264 0.000 2.342 15 I HA 0.323 4.496 4.170 0.005 0.000 0.291 15 I C -0.854 174.978 176.117 -0.474 0.000 1.010 15 I CA -0.300 60.787 61.300 -0.356 0.000 1.308 15 I CB 0.284 37.837 38.000 -0.744 0.000 1.400 15 I HN 0.533 nan 8.210 nan 0.000 0.488 16 F N 4.997 124.778 119.950 -0.282 0.000 2.385 16 F HA 0.344 4.874 4.527 0.005 0.000 0.360 16 F C 0.690 176.382 175.800 -0.180 0.000 1.122 16 F CA -0.397 57.400 58.000 -0.339 0.000 1.090 16 F CB 1.064 39.606 39.000 -0.764 0.000 1.150 16 F HN 0.419 nan 8.300 nan 0.000 0.472 17 E N 4.641 124.896 120.200 0.093 0.000 2.199 17 E HA 0.432 4.785 4.350 0.005 0.000 0.265 17 E C -0.914 175.937 176.600 0.418 0.000 0.882 17 E CA -0.894 55.653 56.400 0.245 0.000 0.759 17 E CB 1.206 31.040 29.700 0.223 0.000 1.148 17 E HN 0.603 nan 8.360 nan 0.000 0.412 18 R N 3.028 123.783 120.500 0.425 0.000 2.368 18 R HA 0.411 4.754 4.340 0.005 0.000 0.302 18 R C -0.996 175.549 176.300 0.409 0.000 1.002 18 R CA -0.516 55.799 56.100 0.358 0.000 0.929 18 R CB 0.939 31.378 30.300 0.233 0.000 1.073 18 R HN 0.453 nan 8.270 nan 0.000 0.464 19 Y N -0.637 119.729 120.300 0.111 0.000 2.638 19 Y HA 0.499 5.052 4.550 0.005 0.000 0.335 19 Y C -1.385 174.447 175.900 -0.113 0.000 1.155 19 Y CA -1.597 56.529 58.100 0.045 0.000 1.046 19 Y CB 1.024 39.605 38.460 0.202 0.000 1.303 19 Y HN 0.202 nan 8.280 nan 0.000 0.460 20 I N 3.921 124.298 120.570 -0.321 0.000 2.315 20 I HA 0.184 4.357 4.170 0.005 0.000 0.291 20 I C -0.215 175.826 176.117 -0.126 0.000 1.006 20 I CA -0.455 60.577 61.300 -0.446 0.000 1.265 20 I CB 0.610 38.080 38.000 -0.883 0.000 1.387 20 I HN 0.852 nan 8.210 nan 0.000 0.475 21 D N 4.214 124.546 120.400 -0.112 0.000 2.414 21 D HA 0.034 4.677 4.640 0.005 0.000 0.251 21 D C 1.106 177.466 176.300 0.099 0.000 1.252 21 D CA -0.389 53.683 54.000 0.121 0.000 0.999 21 D CB 0.437 41.285 40.800 0.079 0.000 1.093 21 D HN 0.440 nan 8.370 nan 0.000 0.515 22 S N -0.983 114.792 115.700 0.124 0.000 2.507 22 S HA -0.128 4.345 4.470 0.005 0.000 0.235 22 S C 0.824 175.461 174.600 0.061 0.000 0.988 22 S CA 0.281 58.538 58.200 0.096 0.000 0.944 22 S CB -0.511 62.738 63.200 0.081 0.000 0.762 22 S HN 0.484 nan 8.310 nan 0.000 0.526 23 N N 1.051 119.776 118.700 0.041 0.000 2.230 23 N HA 0.226 4.969 4.740 0.005 0.000 0.202 23 N C 1.126 176.642 175.510 0.011 0.000 1.119 23 N CA 0.683 53.746 53.050 0.022 0.000 0.851 23 N CB 0.663 39.158 38.487 0.013 0.000 0.990 23 N HN 0.638 nan 8.380 nan 0.000 0.497 24 G N 1.256 110.062 108.800 0.010 0.000 2.143 24 G HA2 -0.297 3.666 3.960 0.005 0.000 0.249 24 G HA3 -0.297 3.666 3.960 0.005 0.000 0.249 24 G C 0.049 174.921 174.900 -0.046 0.000 0.981 24 G CA -0.198 44.902 45.100 0.000 0.000 0.665 24 G HN 0.300 nan 8.290 nan 0.000 0.528 25 R N 0.375 120.829 120.500 -0.076 0.000 2.428 25 R HA 0.523 4.866 4.340 0.005 0.000 0.294 25 R C 0.237 176.421 176.300 -0.193 0.000 1.000 25 R CA -0.645 55.390 56.100 -0.108 0.000 0.960 25 R CB 1.268 31.515 30.300 -0.088 0.000 1.076 25 R HN 0.378 nan 8.270 nan 0.000 0.475 26 E N 3.195 123.285 120.200 -0.182 0.000 2.290 26 E HA 0.057 4.410 4.350 0.005 0.000 0.277 26 E C -0.545 175.893 176.600 -0.270 0.000 1.035 26 E CA -0.021 56.239 56.400 -0.233 0.000 0.873 26 E CB 0.584 30.191 29.700 -0.156 0.000 1.029 26 E HN 0.305 nan 8.360 nan 0.000 0.419 27 R N 2.467 122.696 120.500 -0.451 0.000 2.867 27 R HA 0.491 4.834 4.340 0.005 0.000 0.268 27 R C -1.002 175.156 176.300 -0.236 0.000 1.014 27 R CA -0.871 54.984 56.100 -0.409 0.000 0.946 27 R CB 2.402 32.328 30.300 -0.623 0.000 1.208 27 R HN 0.473 nan 8.270 nan 0.000 0.477 28 T N 1.778 116.345 114.554 0.021 0.000 2.893 28 T HA 0.527 4.881 4.350 0.005 0.000 0.293 28 T C -0.725 174.144 174.700 0.282 0.000 1.027 28 T CA -0.982 61.255 62.100 0.228 0.000 0.988 28 T CB 1.876 70.889 68.868 0.242 0.000 1.043 28 T HN 0.627 nan 8.240 nan 0.000 0.461 29 R N 0.918 121.604 120.500 0.310 0.000 2.740 29 R HA 0.684 5.028 4.340 0.005 0.000 0.273 29 R C -1.402 174.867 176.300 -0.051 0.000 0.998 29 R CA -1.046 55.148 56.100 0.156 0.000 0.900 29 R CB 2.101 32.509 30.300 0.180 0.000 1.223 29 R HN 0.599 nan 8.270 nan 0.000 0.466 30 E N 2.280 122.354 120.200 -0.210 0.000 2.145 30 E HA 0.367 4.720 4.350 0.005 0.000 0.270 30 E C -1.351 175.044 176.600 -0.341 0.000 0.906 30 E CA -0.907 55.149 56.400 -0.574 0.000 0.761 30 E CB 1.969 31.224 29.700 -0.740 0.000 1.116 30 E HN 0.427 nan 8.360 nan 0.000 0.408 31 V N 4.488 124.194 119.914 -0.346 0.000 2.487 31 V HA 0.183 4.306 4.120 0.005 0.000 0.298 31 V C -0.223 175.796 176.094 -0.125 0.000 1.028 31 V CA -0.800 61.407 62.300 -0.156 0.000 0.860 31 V CB 1.657 33.459 31.823 -0.034 0.000 0.991 31 V HN 0.743 nan 8.190 nan 0.000 0.427 32 E N 3.722 123.885 120.200 -0.063 0.000 2.148 32 E HA 0.083 4.436 4.350 0.005 0.000 0.308 32 E C -0.780 175.833 176.600 0.022 0.000 1.278 32 E CA -0.252 56.123 56.400 -0.041 0.000 1.368 32 E CB 0.058 29.727 29.700 -0.052 0.000 1.229 32 E HN 0.620 nan 8.360 nan 0.000 0.494 33 Y N 2.502 122.758 120.300 -0.073 0.000 2.544 33 Y HA -0.036 4.518 4.550 0.005 0.000 0.330 33 Y C 0.011 175.878 175.900 -0.054 0.000 1.136 33 Y CA -0.193 57.901 58.100 -0.011 0.000 1.417 33 Y CB 0.410 38.902 38.460 0.052 0.000 1.229 33 Y HN 0.015 nan 8.280 nan 0.000 0.532 34 K N 9.603 129.673 120.400 -0.551 0.000 2.268 34 K HA 0.277 4.600 4.320 0.005 0.000 0.276 34 K C -2.573 173.539 176.600 -0.812 0.000 1.080 34 K CA -1.727 54.246 56.287 -0.522 0.000 0.910 34 K CB 0.818 33.136 32.500 -0.303 0.000 1.163 34 K HN 0.494 nan 8.250 nan 0.000 0.465 35 P HA 0.163 nan 4.420 nan 0.000 0.279 35 P C -0.693 176.492 177.300 -0.191 0.000 1.252 35 P CA -0.557 62.250 63.100 -0.489 0.000 0.811 35 P CB 1.185 32.558 31.700 -0.545 0.000 1.035 36 S N 0.625 116.276 115.700 -0.082 0.000 2.503 36 S HA 0.643 5.116 4.470 0.005 0.000 0.301 36 S C -0.038 174.517 174.600 -0.075 0.000 1.087 36 S CA -0.514 57.573 58.200 -0.188 0.000 1.042 36 S CB 0.586 63.568 63.200 -0.363 0.000 1.043 36 S HN 0.300 nan 8.310 nan 0.000 0.489 37 L N 1.440 122.550 121.223 -0.188 0.000 2.230 37 L HA 0.757 5.100 4.340 0.005 0.000 0.255 37 L C -1.527 175.027 176.870 -0.528 0.000 1.039 37 L CA -0.895 53.926 54.840 -0.031 0.000 0.846 37 L CB 1.225 43.487 42.059 0.339 0.000 1.419 37 L HN 0.534 nan 8.230 nan 0.000 0.435 38 F N -0.111 119.875 119.950 0.061 0.000 2.588 38 F HA 0.759 5.289 4.527 0.005 0.000 0.310 38 F C -0.050 175.854 175.800 0.174 0.000 1.082 38 F CA -0.653 57.347 58.000 0.001 0.000 0.929 38 F CB 2.034 41.006 39.000 -0.046 0.000 1.254 38 F HN 0.341 nan 8.300 nan 0.000 0.455 39 A N 0.937 123.924 122.820 0.277 0.000 2.374 39 A HA 0.687 5.011 4.320 0.005 0.000 0.317 39 A C -1.213 176.452 177.584 0.135 0.000 1.094 39 A CA -0.712 51.475 52.037 0.251 0.000 0.765 39 A CB 0.465 19.675 19.000 0.351 0.000 1.268 39 A HN 0.897 nan 8.150 nan 0.000 0.438 40 H N -0.569 118.618 119.070 0.195 0.000 2.871 40 H HA 0.332 4.891 4.556 0.005 0.000 0.355 40 H C 0.619 176.016 175.328 0.114 0.000 1.092 40 H CA 1.330 57.464 56.048 0.143 0.000 1.420 40 H CB 0.462 30.299 29.762 0.124 0.000 1.400 40 H HN 0.931 nan 8.280 nan 0.000 0.604 41 C N 1.671 121.106 119.300 0.227 0.000 3.154 41 C HA 0.623 5.086 4.460 0.005 0.000 0.312 41 C C -2.623 172.432 174.990 0.109 0.000 1.349 41 C CA -2.410 56.689 59.018 0.136 0.000 1.518 41 C CB 1.206 29.001 27.740 0.092 0.000 1.934 41 C HN 0.533 nan 8.230 nan 0.000 0.462 42 P HA 0.213 nan 4.420 nan 0.000 0.269 42 P C 0.703 178.044 177.300 0.068 0.000 1.215 42 P CA 0.177 63.317 63.100 0.066 0.000 0.780 42 P CB 0.576 32.307 31.700 0.051 0.000 0.898 43 E N 0.713 120.955 120.200 0.071 0.000 2.153 43 E HA -0.144 4.209 4.350 0.005 0.000 0.194 43 E C 1.622 178.266 176.600 0.072 0.000 0.988 43 E CA 1.656 58.107 56.400 0.085 0.000 0.811 43 E CB -0.770 28.977 29.700 0.079 0.000 0.746 43 E HN 0.566 nan 8.360 nan 0.000 0.466 44 S N 0.077 115.810 115.700 0.054 0.000 2.515 44 S HA -0.119 4.354 4.470 0.005 0.000 0.231 44 S C 1.140 175.764 174.600 0.040 0.000 0.987 44 S CA 0.142 58.369 58.200 0.044 0.000 0.936 44 S CB -0.129 63.092 63.200 0.035 0.000 0.766 44 S HN 0.164 nan 8.310 nan 0.000 0.528 45 Q N 1.523 121.348 119.800 0.041 0.000 2.322 45 Q HA 0.595 4.938 4.340 0.005 0.000 0.256 45 Q C -0.531 175.484 176.000 0.025 0.000 0.960 45 Q CA -0.529 55.292 55.803 0.030 0.000 0.934 45 Q CB 0.970 29.725 28.738 0.029 0.000 1.200 45 Q HN 0.487 nan 8.270 nan 0.000 0.435 46 A N 3.888 126.721 122.820 0.022 0.000 2.491 46 A HA 0.348 4.671 4.320 0.005 0.000 0.261 46 A C -0.072 177.508 177.584 -0.007 0.000 1.101 46 A CA 0.269 52.318 52.037 0.020 0.000 0.772 46 A CB 0.568 19.581 19.000 0.022 0.000 1.043 46 A HN 0.688 nan 8.150 nan 0.000 0.501 47 T N 0.682 115.208 114.554 -0.046 0.000 2.864 47 T HA 0.509 4.863 4.350 0.005 0.000 0.299 47 T C 0.662 175.251 174.700 -0.185 0.000 1.166 47 T CA -0.196 61.831 62.100 -0.122 0.000 1.007 47 T CB 1.191 69.960 68.868 -0.165 0.000 1.219 47 T HN 0.716 nan 8.240 nan 0.000 0.506 48 K N 1.007 121.235 120.400 -0.288 0.000 2.355 48 K HA 0.213 4.536 4.320 0.005 0.000 0.198 48 K C -0.685 175.707 176.600 -0.347 0.000 1.039 48 K CA -0.193 55.937 56.287 -0.263 0.000 1.075 48 K CB 0.184 32.482 32.500 -0.337 0.000 0.870 48 K HN 0.501 nan 8.250 nan 0.000 0.540 49 Y N 0.883 121.068 120.300 -0.191 0.000 2.326 49 Y HA 0.432 4.985 4.550 0.005 0.000 0.337 49 Y C -0.496 175.127 175.900 -0.462 0.000 1.023 49 Y CA -1.154 56.851 58.100 -0.159 0.000 1.143 49 Y CB 0.762 39.219 38.460 -0.005 0.000 1.183 49 Y HN -0.166 nan 8.280 nan 0.000 0.485 50 F N 1.682 121.714 119.950 0.137 0.000 2.578 50 F HA 0.267 4.798 4.527 0.005 0.000 0.311 50 F C -0.111 175.730 175.800 0.068 0.000 1.094 50 F CA -1.424 56.642 58.000 0.110 0.000 0.923 50 F CB 1.443 40.491 39.000 0.080 0.000 1.230 50 F HN 0.515 nan 8.300 nan 0.000 0.450 51 D N 1.641 122.215 120.400 0.289 0.000 2.393 51 D HA 0.045 4.688 4.640 0.005 0.000 0.246 51 D C 1.328 177.703 176.300 0.124 0.000 1.275 51 D CA -0.283 53.835 54.000 0.197 0.000 0.979 51 D CB 0.455 41.449 40.800 0.324 0.000 1.101 51 D HN 0.633 nan 8.370 nan 0.000 0.505 52 I N -3.039 117.499 120.570 -0.055 0.000 2.756 52 I HA -0.145 4.028 4.170 0.005 0.000 0.262 52 I C 0.898 176.850 176.117 -0.274 0.000 1.225 52 I CA 0.726 61.890 61.300 -0.227 0.000 1.472 52 I CB -0.625 37.158 38.000 -0.361 0.000 1.094 52 I HN 0.218 nan 8.210 nan 0.000 0.454 53 Y N 2.002 122.389 120.300 0.144 0.000 2.466 53 Y HA 0.417 4.971 4.550 0.005 0.000 0.272 53 Y C 1.928 177.895 175.900 0.113 0.000 1.169 53 Y CA 0.254 58.429 58.100 0.125 0.000 1.285 53 Y CB 0.375 38.902 38.460 0.112 0.000 1.078 53 Y HN 0.375 nan 8.280 nan 0.000 0.523 54 G N 0.457 109.390 108.800 0.223 0.000 2.157 54 G HA2 -0.251 3.713 3.960 0.005 0.000 0.248 54 G HA3 -0.251 3.713 3.960 0.005 0.000 0.248 54 G C 0.056 175.148 174.900 0.320 0.000 0.979 54 G CA -0.472 44.728 45.100 0.168 0.000 0.650 54 G HN 0.268 nan 8.290 nan 0.000 0.529 55 K N 1.689 122.311 120.400 0.371 0.000 2.234 55 K HA 0.384 4.708 4.320 0.005 0.000 0.282 55 K C -2.303 174.561 176.600 0.440 0.000 1.039 55 K CA -1.616 54.882 56.287 0.351 0.000 0.928 55 K CB 1.701 34.315 32.500 0.189 0.000 1.039 55 K HN 0.128 nan 8.250 nan 0.000 0.470 56 P HA 0.069 nan 4.420 nan 0.000 0.271 56 P C -0.535 176.817 177.300 0.087 0.000 1.218 56 P CA -0.350 62.743 63.100 -0.011 0.000 0.780 56 P CB 0.620 32.316 31.700 -0.007 0.000 0.901 57 C N 1.484 120.771 119.300 -0.020 0.000 2.712 57 C HA 0.561 5.024 4.460 0.005 0.000 0.308 57 C C 0.265 175.352 174.990 0.161 0.000 1.201 57 C CA -0.208 58.887 59.018 0.128 0.000 1.554 57 C CB 1.857 29.689 27.740 0.153 0.000 2.117 57 C HN 0.615 nan 8.230 nan 0.000 0.480 58 T N 0.265 114.908 114.554 0.149 0.000 2.837 58 T HA 0.518 4.871 4.350 0.005 0.000 0.285 58 T C -0.381 174.295 174.700 -0.039 0.000 0.984 58 T CA -0.590 61.558 62.100 0.080 0.000 1.049 58 T CB 0.929 69.802 68.868 0.010 0.000 0.947 58 T HN 0.727 nan 8.240 nan 0.000 0.472 59 R N 1.671 122.043 120.500 -0.213 0.000 2.308 59 R HA 0.307 4.650 4.340 0.005 0.000 0.305 59 R C -0.508 175.397 176.300 -0.658 0.000 1.053 59 R CA -0.482 55.157 56.100 -0.769 0.000 0.957 59 R CB 0.437 30.240 30.300 -0.827 0.000 1.022 59 R HN 0.619 nan 8.270 nan 0.000 0.461 60 K N 5.234 125.113 120.400 -0.868 0.000 2.367 60 K HA 0.252 4.575 4.320 0.005 0.000 0.263 60 K C -0.871 175.087 176.600 -1.071 0.000 1.000 60 K CA -0.646 55.062 56.287 -0.966 0.000 0.891 60 K CB 1.493 33.252 32.500 -1.236 0.000 1.117 60 K HN 0.349 nan 8.250 nan 0.000 0.443 61 L N 5.203 125.920 121.223 -0.844 0.000 2.265 61 L HA 0.430 4.773 4.340 0.005 0.000 0.288 61 L C -1.146 175.285 176.870 -0.731 0.000 1.058 61 L CA -0.212 54.246 54.840 -0.638 0.000 0.809 61 L CB 0.109 41.927 42.059 -0.401 0.000 1.179 61 L HN 0.503 nan 8.230 nan 0.000 0.429 62 F N 2.848 122.584 119.950 -0.357 0.000 2.425 62 F HA 0.390 4.921 4.527 0.005 0.000 0.331 62 F C 1.363 177.004 175.800 -0.265 0.000 1.085 62 F CA -0.387 57.428 58.000 -0.310 0.000 1.028 62 F CB 1.615 40.420 39.000 -0.326 0.000 1.177 62 F HN 0.642 nan 8.300 nan 0.000 0.487 63 A N 2.312 125.117 122.820 -0.025 0.000 2.019 63 A HA -0.058 4.265 4.320 0.005 0.000 0.219 63 A C 0.230 177.766 177.584 -0.079 0.000 1.164 63 A CA 1.824 53.822 52.037 -0.066 0.000 0.644 63 A CB -1.028 17.944 19.000 -0.047 0.000 0.805 63 A HN 0.909 nan 8.150 nan 0.000 0.449 64 N N -4.907 113.746 118.700 -0.078 0.000 3.116 64 N HA 0.355 5.098 4.740 0.005 0.000 0.244 64 N C -0.050 175.324 175.510 -0.227 0.000 1.485 64 N CA -0.483 52.487 53.050 -0.133 0.000 0.884 64 N CB 0.164 38.598 38.487 -0.087 0.000 1.415 64 N HN -0.098 nan 8.380 nan 0.000 0.524 65 M N -0.249 119.186 119.600 -0.275 0.000 2.229 65 M HA 0.057 4.540 4.480 0.005 0.000 0.264 65 M C 1.687 177.824 176.300 -0.272 0.000 1.063 65 M CA 1.350 56.366 55.300 -0.473 0.000 1.114 65 M CB -0.266 32.150 32.600 -0.305 0.000 1.387 65 M HN 0.509 nan 8.290 nan 0.000 0.420 66 R N 0.376 120.803 120.500 -0.121 0.000 2.096 66 R HA -0.136 4.207 4.340 0.005 0.000 0.235 66 R C 1.668 177.917 176.300 -0.085 0.000 1.127 66 R CA 1.385 57.453 56.100 -0.053 0.000 0.968 66 R CB -0.298 29.988 30.300 -0.023 0.000 0.861 66 R HN 0.297 nan 8.270 nan 0.000 0.440 67 D N 0.350 120.679 120.400 -0.119 0.000 2.117 67 D HA -0.134 4.509 4.640 0.005 0.000 0.197 67 D C 1.763 177.841 176.300 -0.371 0.000 0.987 67 D CA 1.562 55.498 54.000 -0.107 0.000 0.829 67 D CB -0.238 40.574 40.800 0.020 0.000 0.961 67 D HN 0.263 nan 8.370 nan 0.000 0.460 68 A N 0.718 123.104 122.820 -0.723 0.000 1.877 68 A HA -0.165 4.158 4.320 0.005 0.000 0.216 68 A C 2.340 179.749 177.584 -0.291 0.000 1.186 68 A CA 2.394 53.717 52.037 -1.190 0.000 0.620 68 A CB -0.695 17.673 19.000 -1.053 0.000 0.822 68 A HN 0.330 nan 8.150 nan 0.000 0.443 69 S N -0.890 114.802 115.700 -0.013 0.000 2.383 69 S HA -0.187 4.286 4.470 0.005 0.000 0.227 69 S C 1.889 176.509 174.600 0.033 0.000 1.026 69 S CA 1.256 59.524 58.200 0.114 0.000 0.981 69 S CB -0.402 62.896 63.200 0.163 0.000 0.818 69 S HN 0.530 nan 8.310 nan 0.000 0.472 70 Q N 0.023 119.826 119.800 0.004 0.000 2.119 70 Q HA -0.046 4.297 4.340 0.005 0.000 0.201 70 Q C 1.691 177.725 176.000 0.057 0.000 0.972 70 Q CA 1.244 57.059 55.803 0.022 0.000 0.847 70 Q CB -0.523 28.230 28.738 0.026 0.000 0.903 70 Q HN 0.865 nan 8.270 nan 0.000 0.433 71 W N 1.410 122.633 121.300 -0.127 0.000 2.358 71 W HA -0.136 4.527 4.660 0.005 0.000 0.303 71 W C 1.795 178.297 176.519 -0.029 0.000 1.208 71 W CA 1.166 58.479 57.345 -0.053 0.000 1.274 71 W CB -0.374 29.059 29.460 -0.044 0.000 1.138 71 W HN 0.030 nan 8.180 nan 0.000 0.515 72 I N 0.946 121.503 120.570 -0.021 0.000 2.151 72 I HA -0.398 3.775 4.170 0.005 0.000 0.243 72 I C 2.430 178.417 176.117 -0.216 0.000 1.080 72 I CA 1.875 63.070 61.300 -0.175 0.000 1.339 72 I CB -0.676 37.316 38.000 -0.013 0.000 1.039 72 I HN -0.040 nan 8.210 nan 0.000 0.409 73 K N 0.408 120.735 120.400 -0.122 0.000 2.032 73 K HA -0.169 4.154 4.320 0.005 0.000 0.209 73 K C 2.296 178.814 176.600 -0.136 0.000 1.048 73 K CA 1.387 57.613 56.287 -0.103 0.000 0.927 73 K CB -0.204 32.264 32.500 -0.053 0.000 0.712 73 K HN 0.282 nan 8.250 nan 0.000 0.441 74 R N 0.049 120.454 120.500 -0.158 0.000 2.092 74 R HA -0.006 4.337 4.340 0.005 0.000 0.231 74 R C 2.333 178.490 176.300 -0.238 0.000 1.119 74 R CA 1.060 57.066 56.100 -0.157 0.000 0.970 74 R CB -0.122 30.117 30.300 -0.102 0.000 0.864 74 R HN 0.185 nan 8.270 nan 0.000 0.440 75 M N 0.408 119.754 119.600 -0.423 0.000 2.159 75 M HA -0.161 4.322 4.480 0.005 0.000 0.263 75 M C 2.056 178.208 176.300 -0.247 0.000 1.063 75 M CA 1.451 56.491 55.300 -0.433 0.000 1.110 75 M CB -0.721 31.436 32.600 -0.738 0.000 1.374 75 M HN 0.218 nan 8.290 nan 0.000 0.411 76 E N 0.502 120.577 120.200 -0.207 0.000 2.077 76 E HA -0.219 4.135 4.350 0.005 0.000 0.193 76 E C 1.305 177.843 176.600 -0.102 0.000 0.989 76 E CA 1.320 57.640 56.400 -0.133 0.000 0.800 76 E CB 0.158 29.791 29.700 -0.112 0.000 0.746 76 E HN 0.381 nan 8.360 nan 0.000 0.452 77 D N 0.340 120.680 120.400 -0.101 0.000 2.144 77 D HA -0.144 4.500 4.640 0.005 0.000 0.199 77 D C 1.977 178.239 176.300 -0.064 0.000 0.984 77 D CA 0.962 54.919 54.000 -0.072 0.000 0.834 77 D CB -0.100 40.662 40.800 -0.063 0.000 0.955 77 D HN 0.345 nan 8.370 nan 0.000 0.465 78 I N -0.407 120.115 120.570 -0.080 0.000 2.406 78 I HA 0.015 4.188 4.170 0.005 0.000 0.249 78 I C 1.399 177.484 176.117 -0.053 0.000 1.122 78 I CA 0.866 62.130 61.300 -0.060 0.000 1.431 78 I CB 0.007 37.968 38.000 -0.065 0.000 1.087 78 I HN 0.090 nan 8.210 nan 0.000 0.424 79 G N 1.629 110.388 108.800 -0.068 0.000 2.215 79 G HA2 -0.164 3.799 3.960 0.005 0.000 0.198 79 G HA3 -0.164 3.799 3.960 0.005 0.000 0.198 79 G C -0.290 174.584 174.900 -0.043 0.000 1.047 79 G CA -0.540 44.528 45.100 -0.053 0.000 0.747 79 G HN 0.182 nan 8.290 nan 0.000 0.495 80 L N -0.180 121.004 121.223 -0.065 0.000 2.354 80 L HA 0.565 4.908 4.340 0.005 0.000 0.269 80 L C 0.586 177.418 176.870 -0.063 0.000 1.005 80 L CA -1.028 53.790 54.840 -0.037 0.000 0.819 80 L CB 2.047 44.090 42.059 -0.026 0.000 1.311 80 L HN 0.270 nan 8.230 nan 0.000 0.423 81 E N 1.759 121.964 120.200 0.008 0.000 2.366 81 E HA 0.270 4.623 4.350 0.005 0.000 0.266 81 E C -0.607 175.972 176.600 -0.035 0.000 1.015 81 E CA -0.340 56.063 56.400 0.004 0.000 0.906 81 E CB 1.016 30.770 29.700 0.090 0.000 0.979 81 E HN 0.606 nan 8.360 nan 0.000 0.443 82 A N 5.964 128.740 122.820 -0.074 0.000 2.341 82 A HA 0.350 4.673 4.320 0.005 0.000 0.326 82 A C -0.775 176.899 177.584 0.150 0.000 1.402 82 A CA -0.616 51.411 52.037 -0.017 0.000 0.957 82 A CB 0.112 18.972 19.000 -0.234 0.000 1.151 82 A HN 0.537 nan 8.150 nan 0.000 0.533 83 L N 2.007 123.372 121.223 0.235 0.000 2.421 83 L HA 0.812 5.155 4.340 0.005 0.000 0.263 83 L C 1.021 178.083 176.870 0.320 0.000 1.122 83 L CA 1.135 56.090 54.840 0.192 0.000 0.804 83 L CB 0.911 43.025 42.059 0.092 0.000 1.150 83 L HN 1.174 nan 8.230 nan 0.000 0.457 84 G N 1.380 110.309 108.800 0.216 0.000 2.479 84 G HA2 0.008 3.971 3.960 0.005 0.000 0.686 84 G HA3 0.008 3.971 3.960 0.005 0.000 0.686 84 G C -0.993 173.955 174.900 0.079 0.000 1.295 84 G CA -0.704 44.553 45.100 0.263 0.000 0.922 84 G HN 0.569 nan 8.290 nan 0.000 0.582 85 M N 2.297 121.872 119.600 -0.042 0.000 2.350 85 M HA 0.301 4.785 4.480 0.005 0.000 0.338 85 M C 1.558 177.734 176.300 -0.208 0.000 1.559 85 M CA -0.347 54.759 55.300 -0.323 0.000 1.217 85 M CB 0.155 32.196 32.600 -0.932 0.000 1.808 85 M HN 0.600 nan 8.290 nan 0.000 0.458 86 D N 1.700 121.934 120.400 -0.278 0.000 2.317 86 D HA -0.086 4.557 4.640 0.005 0.000 0.211 86 D C -0.295 175.497 176.300 -0.847 0.000 0.966 86 D CA 0.316 54.023 54.000 -0.488 0.000 0.876 86 D CB -0.253 40.377 40.800 -0.282 0.000 0.927 86 D HN 0.537 nan 8.370 nan 0.000 0.519 87 D N -0.051 120.038 120.400 -0.519 0.000 2.422 87 D HA 0.029 4.673 4.640 0.005 0.000 0.227 87 D C 0.371 176.507 176.300 -0.274 0.000 1.190 87 D CA -0.603 53.156 54.000 -0.402 0.000 0.905 87 D CB 0.008 40.679 40.800 -0.214 0.000 1.034 87 D HN -0.132 nan 8.370 nan 0.000 0.507 88 F N 2.716 122.682 119.950 0.026 0.000 2.293 88 F HA -0.110 4.420 4.527 0.005 0.000 0.300 88 F C 2.388 178.233 175.800 0.075 0.000 1.086 88 F CA 0.733 58.800 58.000 0.111 0.000 1.375 88 F CB -0.435 38.669 39.000 0.174 0.000 1.045 88 F HN 0.448 nan 8.300 nan 0.000 0.516 89 K N 0.693 121.184 120.400 0.151 0.000 2.211 89 K HA -0.103 4.220 4.320 0.005 0.000 0.203 89 K C 1.829 178.467 176.600 0.064 0.000 1.050 89 K CA 1.395 57.720 56.287 0.063 0.000 0.945 89 K CB -0.758 31.750 32.500 0.014 0.000 0.732 89 K HN 0.319 nan 8.250 nan 0.000 0.451 90 L N 1.074 122.322 121.223 0.042 0.000 2.093 90 L HA -0.080 4.263 4.340 0.005 0.000 0.208 90 L C 2.853 179.852 176.870 0.215 0.000 1.085 90 L CA 1.071 55.955 54.840 0.074 0.000 0.755 90 L CB -0.623 41.444 42.059 0.015 0.000 0.904 90 L HN 0.321 nan 8.230 nan 0.000 0.435 91 A N -0.487 122.447 122.820 0.190 0.000 1.898 91 A HA -0.279 4.044 4.320 0.005 0.000 0.216 91 A C 2.196 179.906 177.584 0.210 0.000 1.181 91 A CA 1.407 53.669 52.037 0.375 0.000 0.620 91 A CB -0.858 18.413 19.000 0.452 0.000 0.819 91 A HN 0.470 nan 8.150 nan 0.000 0.442 92 Y N 0.638 120.788 120.300 -0.249 0.000 2.128 92 Y HA -0.217 4.336 4.550 0.005 0.000 0.284 92 Y C 1.968 177.733 175.900 -0.226 0.000 1.154 92 Y CA 2.061 59.769 58.100 -0.654 0.000 1.149 92 Y CB -0.286 37.692 38.460 -0.804 0.000 0.976 92 Y HN 0.215 nan 8.280 nan 0.000 0.505 93 L N -0.893 120.286 121.223 -0.074 0.000 2.083 93 L HA -0.234 4.109 4.340 0.005 0.000 0.209 93 L C 2.815 179.675 176.870 -0.016 0.000 1.083 93 L CA 1.591 56.402 54.840 -0.049 0.000 0.752 93 L CB -0.852 41.139 42.059 -0.114 0.000 0.899 93 L HN 0.247 nan 8.230 nan 0.000 0.433 94 S N -0.409 115.316 115.700 0.041 0.000 2.382 94 S HA -0.194 4.280 4.470 0.005 0.000 0.228 94 S C 1.608 176.188 174.600 -0.034 0.000 1.027 94 S CA 1.538 59.753 58.200 0.025 0.000 0.991 94 S CB -0.148 63.108 63.200 0.094 0.000 0.823 94 S HN 0.403 nan 8.310 nan 0.000 0.469 95 D N 0.331 120.703 120.400 -0.046 0.000 2.149 95 D HA -0.004 4.639 4.640 0.005 0.000 0.201 95 D C 1.965 178.136 176.300 -0.215 0.000 0.972 95 D CA 1.350 55.308 54.000 -0.069 0.000 0.835 95 D CB -0.611 40.204 40.800 0.026 0.000 0.966 95 D HN 0.411 nan 8.370 nan 0.000 0.476 96 T N -0.760 113.528 114.554 -0.444 0.000 2.978 96 T HA -0.059 4.294 4.350 0.005 0.000 0.262 96 T C 0.434 174.662 174.700 -0.786 0.000 1.063 96 T CA 0.604 62.289 62.100 -0.692 0.000 1.140 96 T CB -0.009 68.200 68.868 -1.099 0.000 0.886 96 T HN 0.161 nan 8.240 nan 0.000 0.470 97 Y N 1.626 121.794 120.300 -0.220 0.000 2.638 97 Y HA 0.424 4.977 4.550 0.005 0.000 0.367 97 Y C 0.470 176.083 175.900 -0.479 0.000 1.001 97 Y CA -1.277 56.571 58.100 -0.421 0.000 1.133 97 Y CB -0.106 38.164 38.460 -0.317 0.000 1.199 97 Y HN -0.063 nan 8.280 nan 0.000 0.642 98 N N 2.586 121.204 118.700 -0.136 0.000 3.243 98 N HA 0.089 4.832 4.740 0.005 0.000 0.310 98 N C -1.430 174.169 175.510 0.149 0.000 1.313 98 N CA 0.052 53.098 53.050 -0.006 0.000 1.204 98 N CB -0.638 37.876 38.487 0.044 0.000 1.483 98 N HN 0.501 nan 8.380 nan 0.000 0.553 99 Y N -2.541 117.810 120.300 0.084 0.000 2.741 99 Y HA 0.332 4.885 4.550 0.005 0.000 0.339 99 Y C -0.452 175.499 175.900 0.085 0.000 1.226 99 Y CA -1.438 56.706 58.100 0.074 0.000 1.072 99 Y CB 0.439 38.947 38.460 0.082 0.000 1.331 99 Y HN -0.036 nan 8.280 nan 0.000 0.453 100 E N 2.185 122.535 120.200 0.249 0.000 2.328 100 E HA 0.204 4.557 4.350 0.005 0.000 0.265 100 E C -0.796 175.957 176.600 0.255 0.000 1.057 100 E CA -0.136 56.366 56.400 0.169 0.000 0.916 100 E CB 0.344 30.134 29.700 0.150 0.000 0.993 100 E HN 0.597 nan 8.360 nan 0.000 0.446 101 I N 4.922 125.575 120.570 0.140 0.000 2.517 101 I HA -0.007 4.167 4.170 0.005 0.000 0.285 101 I C 0.323 176.491 176.117 0.084 0.000 1.106 101 I CA 0.259 61.640 61.300 0.134 0.000 1.402 101 I CB 0.450 38.474 38.000 0.040 0.000 1.399 101 I HN 0.301 nan 8.210 nan 0.000 0.535 102 K N 7.474 127.903 120.400 0.049 0.000 2.389 102 K HA 0.292 4.616 4.320 0.005 0.000 0.261 102 K C -0.923 175.457 176.600 -0.367 0.000 1.014 102 K CA -0.477 55.742 56.287 -0.114 0.000 0.920 102 K CB 0.504 32.971 32.500 -0.054 0.000 1.149 102 K HN 0.359 nan 8.250 nan 0.000 0.444 103 Y N -0.219 119.640 120.300 -0.736 0.000 2.403 103 Y HA 0.620 5.173 4.550 0.005 0.000 0.323 103 Y C -0.301 175.090 175.900 -0.848 0.000 1.226 103 Y CA -1.318 55.900 58.100 -1.470 0.000 1.235 103 Y CB 1.080 38.442 38.460 -1.830 0.000 1.248 103 Y HN 0.366 nan 8.280 nan 0.000 0.489 104 D N 1.228 121.165 120.400 -0.772 0.000 2.441 104 D HA 0.097 4.740 4.640 0.005 0.000 0.231 104 D C 0.547 176.858 176.300 0.019 0.000 1.073 104 D CA -0.539 53.318 54.000 -0.239 0.000 0.850 104 D CB 0.143 40.929 40.800 -0.024 0.000 1.062 104 D HN 0.898 nan 8.370 nan 0.000 0.524 105 H N 1.025 120.129 119.070 0.057 0.000 2.456 105 H HA -0.135 4.424 4.556 0.005 0.000 0.296 105 H C 1.522 176.948 175.328 0.163 0.000 1.079 105 H CA 1.973 58.149 56.048 0.212 0.000 1.322 105 H CB -0.261 29.629 29.762 0.214 0.000 1.388 105 H HN 0.311 nan 8.280 nan 0.000 0.538 106 T N -1.849 112.398 114.554 -0.512 0.000 3.007 106 T HA -0.048 4.305 4.350 0.005 0.000 0.270 106 T C 1.492 176.166 174.700 -0.043 0.000 1.107 106 T CA 0.697 62.620 62.100 -0.294 0.000 1.118 106 T CB -0.063 68.620 68.868 -0.308 0.000 0.889 106 T HN 0.306 nan 8.240 nan 0.000 0.506 107 K N 0.624 121.055 120.400 0.051 0.000 2.393 107 K HA 0.345 4.668 4.320 0.005 0.000 0.193 107 K C 0.568 177.243 176.600 0.124 0.000 1.026 107 K CA 0.025 56.373 56.287 0.101 0.000 1.064 107 K CB 0.277 32.884 32.500 0.178 0.000 0.833 107 K HN 0.502 nan 8.250 nan 0.000 0.521 108 I N 2.239 122.919 120.570 0.182 0.000 2.312 108 I HA 0.161 4.334 4.170 0.005 0.000 0.291 108 I C 0.495 176.678 176.117 0.111 0.000 1.031 108 I CA -0.606 60.803 61.300 0.183 0.000 1.293 108 I CB 0.822 38.986 38.000 0.273 0.000 1.403 108 I HN -0.157 nan 8.210 nan 0.000 0.484 109 R N 6.071 126.600 120.500 0.047 0.000 2.291 109 R HA 0.320 4.663 4.340 0.005 0.000 0.333 109 R C -1.163 175.149 176.300 0.021 0.000 1.082 109 R CA -0.223 55.877 56.100 -0.001 0.000 0.948 109 R CB 0.402 30.652 30.300 -0.083 0.000 1.009 109 R HN 0.450 nan 8.270 nan 0.000 0.460 110 V N 4.377 124.330 119.914 0.064 0.000 2.328 110 V HA 0.462 4.585 4.120 0.005 0.000 0.278 110 V C 0.020 176.170 176.094 0.093 0.000 1.021 110 V CA -0.682 61.681 62.300 0.105 0.000 0.838 110 V CB 1.263 33.192 31.823 0.176 0.000 0.999 110 V HN 0.847 nan 8.190 nan 0.000 0.447 111 A N 4.433 127.285 122.820 0.054 0.000 2.318 111 A HA 0.790 5.113 4.320 0.005 0.000 0.324 111 A C -0.374 177.272 177.584 0.104 0.000 1.170 111 A CA -0.609 51.423 52.037 -0.008 0.000 0.810 111 A CB 0.953 19.833 19.000 -0.199 0.000 1.198 111 A HN 0.781 nan 8.150 nan 0.000 0.484 112 N N 1.445 120.248 118.700 0.173 0.000 2.399 112 N HA 0.700 5.443 4.740 0.005 0.000 0.280 112 N C -1.103 174.621 175.510 0.357 0.000 1.008 112 N CA -0.537 52.689 53.050 0.293 0.000 0.894 112 N CB 0.916 39.572 38.487 0.281 0.000 1.273 112 N HN 0.578 nan 8.380 nan 0.000 0.486 113 F N 0.683 120.727 119.950 0.156 0.000 2.629 113 F HA 0.787 5.317 4.527 0.005 0.000 0.316 113 F C -1.404 174.544 175.800 0.246 0.000 1.081 113 F CA -1.215 56.919 58.000 0.223 0.000 0.954 113 F CB 1.527 40.695 39.000 0.280 0.000 1.337 113 F HN 0.373 nan 8.300 nan 0.000 0.474 114 D N 1.684 122.097 120.400 0.022 0.000 2.859 114 D HA 0.582 5.225 4.640 0.005 0.000 0.223 114 D C -1.335 174.977 176.300 0.021 0.000 1.218 114 D CA -0.431 53.510 54.000 -0.099 0.000 0.850 114 D CB 2.238 43.056 40.800 0.030 0.000 1.656 114 D HN 0.877 nan 8.370 nan 0.000 0.484 115 I N -0.749 119.821 120.570 -0.000 0.000 2.797 115 I HA 0.734 4.907 4.170 0.005 0.000 0.307 115 I C -0.841 175.300 176.117 0.040 0.000 1.033 115 I CA -0.662 60.672 61.300 0.057 0.000 1.071 115 I CB 2.074 40.113 38.000 0.065 0.000 1.255 115 I HN 0.105 nan 8.210 nan 0.000 0.445 116 E N 3.925 124.134 120.200 0.016 0.000 2.212 116 E HA 0.619 4.972 4.350 0.005 0.000 0.268 116 E C -1.285 175.359 176.600 0.073 0.000 0.902 116 E CA -0.782 55.616 56.400 -0.004 0.000 0.779 116 E CB 2.902 32.502 29.700 -0.166 0.000 1.172 116 E HN 0.526 nan 8.360 nan 0.000 0.409 117 V N 2.121 122.071 119.914 0.060 0.000 2.532 117 V HA 0.193 4.317 4.120 0.005 0.000 0.294 117 V C -0.183 175.940 176.094 0.047 0.000 1.036 117 V CA -0.778 61.538 62.300 0.026 0.000 0.876 117 V CB 1.946 33.639 31.823 -0.216 0.000 1.012 117 V HN 0.599 nan 8.190 nan 0.000 0.432 118 T N 3.444 118.060 114.554 0.104 0.000 2.870 118 T HA 0.350 4.704 4.350 0.005 0.000 0.300 118 T C 0.204 174.738 174.700 -0.277 0.000 0.989 118 T CA 0.303 62.385 62.100 -0.031 0.000 1.139 118 T CB 0.940 69.806 68.868 -0.002 0.000 0.920 118 T HN 0.707 nan 8.240 nan 0.000 0.537 119 S N 3.799 119.244 115.700 -0.426 0.000 2.736 119 S HA 0.446 4.919 4.470 0.005 0.000 0.285 119 S C -1.929 172.370 174.600 -0.502 0.000 1.163 119 S CA -1.469 56.285 58.200 -0.743 0.000 1.025 119 S CB 1.451 64.267 63.200 -0.641 0.000 1.030 119 S HN 0.438 nan 8.310 nan 0.000 0.486 120 P HA 0.121 nan 4.420 nan 0.000 0.231 120 P C -0.134 177.087 177.300 -0.131 0.000 1.168 120 P CA 0.636 63.560 63.100 -0.292 0.000 0.779 120 P CB -0.189 31.332 31.700 -0.299 0.000 0.844 121 D N -0.818 119.525 120.400 -0.095 0.000 3.008 121 D HA 0.440 5.083 4.640 0.005 0.000 0.312 121 D C 0.870 177.206 176.300 0.060 0.000 1.361 121 D CA -0.650 53.363 54.000 0.022 0.000 0.858 121 D CB -0.070 40.785 40.800 0.091 0.000 1.098 121 D HN 0.197 nan 8.370 nan 0.000 0.482 122 G N 0.241 109.063 108.800 0.037 0.000 2.587 122 G HA2 -0.167 3.796 3.960 0.005 0.000 0.212 122 G HA3 -0.167 3.796 3.960 0.005 0.000 0.212 122 G C -0.669 174.313 174.900 0.136 0.000 1.327 122 G CA -0.781 44.382 45.100 0.106 0.000 0.898 122 G HN 0.355 nan 8.290 nan 0.000 0.551 123 F N 3.804 123.795 119.950 0.069 0.000 2.578 123 F HA 0.478 5.009 4.527 0.005 0.000 0.381 123 F C -1.007 174.902 175.800 0.182 0.000 1.069 123 F CA -0.948 57.105 58.000 0.087 0.000 1.231 123 F CB 0.722 39.770 39.000 0.080 0.000 1.086 123 F HN 0.321 nan 8.300 nan 0.000 0.564 124 P HA 0.049 nan 4.420 nan 0.000 0.277 124 P C -0.984 176.349 177.300 0.054 0.000 1.354 124 P CA -0.108 62.997 63.100 0.009 0.000 0.891 124 P CB 0.554 32.298 31.700 0.073 0.000 1.058 125 E N 5.762 126.126 120.200 0.274 0.000 2.351 125 E HA 0.031 4.384 4.350 0.005 0.000 0.266 125 E C -1.292 175.474 176.600 0.277 0.000 1.031 125 E CA -1.639 54.978 56.400 0.361 0.000 0.911 125 E CB 0.535 30.412 29.700 0.294 0.000 0.986 125 E HN 0.389 nan 8.360 nan 0.000 0.446 126 P HA -0.096 nan 4.420 nan 0.000 0.218 126 P C 0.983 178.248 177.300 -0.059 0.000 1.149 126 P CA 0.916 64.071 63.100 0.091 0.000 0.817 126 P CB 0.405 32.190 31.700 0.142 0.000 0.785 127 S N -0.413 115.306 115.700 0.033 0.000 2.453 127 S HA -0.087 4.386 4.470 0.005 0.000 0.231 127 S C 1.919 176.492 174.600 -0.045 0.000 1.005 127 S CA 0.947 59.149 58.200 0.004 0.000 0.949 127 S CB -0.374 62.851 63.200 0.042 0.000 0.774 127 S HN 0.263 nan 8.310 nan 0.000 0.510 128 Q N 0.382 120.147 119.800 -0.057 0.000 2.304 128 Q HA 0.352 4.695 4.340 0.005 0.000 0.204 128 Q C 1.193 177.069 176.000 -0.207 0.000 0.936 128 Q CA 0.701 56.451 55.803 -0.088 0.000 0.878 128 Q CB -0.567 28.155 28.738 -0.028 0.000 0.983 128 Q HN 0.441 nan 8.270 nan 0.000 0.516 129 A N 2.476 125.077 122.820 -0.365 0.000 2.596 129 A HA -0.263 4.060 4.320 0.005 0.000 0.300 129 A C 1.176 178.572 177.584 -0.314 0.000 1.495 129 A CA 1.459 53.056 52.037 -0.732 0.000 0.769 129 A CB -1.872 16.569 19.000 -0.931 0.000 1.047 129 A HN 0.544 nan 8.150 nan 0.000 0.436 130 K N -0.803 119.473 120.400 -0.206 0.000 2.426 130 K HA 0.113 4.436 4.320 0.005 0.000 0.193 130 K C 0.262 176.698 176.600 -0.274 0.000 1.028 130 K CA 0.873 56.999 56.287 -0.268 0.000 1.047 130 K CB 0.043 32.347 32.500 -0.326 0.000 0.821 130 K HN 0.811 nan 8.250 nan 0.000 0.513 131 H N 0.999 120.218 119.070 0.249 0.000 2.529 131 H HA 0.347 4.906 4.556 0.005 0.000 0.348 131 H C -2.632 172.876 175.328 0.299 0.000 1.152 131 H CA -2.425 53.815 56.048 0.320 0.000 1.202 131 H CB 1.358 31.334 29.762 0.356 0.000 1.562 131 H HN -0.078 nan 8.280 nan 0.000 0.515 132 P HA -0.021 nan 4.420 nan 0.000 0.266 132 P C -0.290 177.152 177.300 0.237 0.000 1.195 132 P CA 0.301 63.527 63.100 0.211 0.000 0.768 132 P CB 0.544 32.316 31.700 0.119 0.000 0.838 133 I N 3.384 124.068 120.570 0.190 0.000 2.379 133 I HA 0.046 4.219 4.170 0.005 0.000 0.290 133 I C 0.900 177.096 176.117 0.130 0.000 1.063 133 I CA 0.355 61.736 61.300 0.134 0.000 1.351 133 I CB 0.594 38.655 38.000 0.101 0.000 1.410 133 I HN 0.417 nan 8.210 nan 0.000 0.505 134 D N 4.321 124.826 120.400 0.174 0.000 2.398 134 D HA 0.327 4.971 4.640 0.005 0.000 0.210 134 D C 0.091 176.560 176.300 0.282 0.000 1.094 134 D CA -0.117 54.021 54.000 0.230 0.000 0.839 134 D CB 0.705 41.659 40.800 0.257 0.000 0.963 134 D HN 0.389 nan 8.370 nan 0.000 0.506 135 A N 0.257 123.204 122.820 0.212 0.000 2.540 135 A HA 0.667 4.990 4.320 0.005 0.000 0.297 135 A C -1.573 176.080 177.584 0.114 0.000 1.056 135 A CA -0.788 51.357 52.037 0.180 0.000 0.700 135 A CB 1.120 20.195 19.000 0.125 0.000 1.280 135 A HN 0.143 nan 8.150 nan 0.000 0.398 136 I N 1.511 122.176 120.570 0.158 0.000 2.499 136 I HA 0.436 4.609 4.170 0.005 0.000 0.288 136 I C -0.479 175.843 176.117 0.342 0.000 1.048 136 I CA -0.388 61.009 61.300 0.161 0.000 1.062 136 I CB 2.678 40.590 38.000 -0.146 0.000 1.238 136 I HN 0.555 nan 8.210 nan 0.000 0.426 137 T N 3.642 118.405 114.554 0.349 0.000 2.779 137 T HA 0.345 4.698 4.350 0.005 0.000 0.280 137 T C -0.962 174.108 174.700 0.618 0.000 0.987 137 T CA -0.409 61.956 62.100 0.442 0.000 0.966 137 T CB 0.640 69.693 68.868 0.307 0.000 0.933 137 T HN 0.534 nan 8.240 nan 0.000 0.442 138 H N 2.391 121.833 119.070 0.619 0.000 2.970 138 H HA 0.444 5.003 4.556 0.005 0.000 0.315 138 H C -1.513 174.188 175.328 0.622 0.000 0.992 138 H CA -0.827 55.632 56.048 0.686 0.000 1.363 138 H CB 0.577 30.820 29.762 0.803 0.000 1.532 138 H HN 0.683 nan 8.280 nan 0.000 0.514 139 Y N 4.798 125.303 120.300 0.342 0.000 2.313 139 Y HA 0.227 4.780 4.550 0.005 0.000 0.332 139 Y C -0.697 175.319 175.900 0.194 0.000 1.071 139 Y CA -0.416 57.746 58.100 0.102 0.000 1.169 139 Y CB 0.923 39.200 38.460 -0.304 0.000 1.192 139 Y HN 0.647 nan 8.280 nan 0.000 0.487 140 D N 3.758 123.883 120.400 -0.458 0.000 2.408 140 D HA 0.092 4.735 4.640 0.005 0.000 0.243 140 D C 0.477 176.369 176.300 -0.680 0.000 1.075 140 D CA -0.001 53.831 54.000 -0.280 0.000 0.832 140 D CB 1.898 42.753 40.800 0.092 0.000 1.162 140 D HN 0.777 nan 8.370 nan 0.000 0.515 141 S N 3.533 119.043 115.700 -0.318 0.000 2.423 141 S HA -0.103 4.370 4.470 0.005 0.000 0.231 141 S C 1.997 176.573 174.600 -0.040 0.000 1.014 141 S CA 0.408 58.554 58.200 -0.090 0.000 0.965 141 S CB -0.152 63.141 63.200 0.155 0.000 0.785 141 S HN 0.633 nan 8.310 nan 0.000 0.495 142 I N 1.862 122.400 120.570 -0.053 0.000 2.277 142 I HA -0.083 4.090 4.170 0.005 0.000 0.243 142 I C 1.870 177.979 176.117 -0.014 0.000 1.094 142 I CA 1.298 62.587 61.300 -0.018 0.000 1.393 142 I CB -0.353 37.631 38.000 -0.026 0.000 1.078 142 I HN 0.212 nan 8.210 nan 0.000 0.417 143 D N 0.211 120.596 120.400 -0.024 0.000 2.224 143 D HA -0.150 4.493 4.640 0.005 0.000 0.205 143 D C 0.617 176.909 176.300 -0.013 0.000 0.965 143 D CA 0.980 54.996 54.000 0.027 0.000 0.852 143 D CB -0.350 40.545 40.800 0.159 0.000 0.947 143 D HN 0.199 nan 8.370 nan 0.000 0.494 144 D N 0.114 120.440 120.400 -0.124 0.000 2.699 144 D HA -0.173 4.470 4.640 0.005 0.000 0.239 144 D C -0.894 175.396 176.300 -0.018 0.000 1.136 144 D CA 0.521 54.489 54.000 -0.053 0.000 0.668 144 D CB -0.403 40.471 40.800 0.124 0.000 1.060 144 D HN 0.055 nan 8.370 nan 0.000 0.429 145 R N 0.113 120.470 120.500 -0.238 0.000 2.744 145 R HA 0.486 4.829 4.340 0.005 0.000 0.279 145 R C -0.485 175.707 176.300 -0.180 0.000 0.977 145 R CA -0.680 55.327 56.100 -0.156 0.000 0.906 145 R CB 0.694 30.772 30.300 -0.371 0.000 1.197 145 R HN -0.001 nan 8.270 nan 0.000 0.463 146 F N 2.335 122.321 119.950 0.059 0.000 2.350 146 F HA 0.338 4.868 4.527 0.005 0.000 0.365 146 F C 0.067 175.858 175.800 -0.015 0.000 1.122 146 F CA -0.541 57.574 58.000 0.192 0.000 1.139 146 F CB 0.499 39.605 39.000 0.178 0.000 1.220 146 F HN 0.285 nan 8.300 nan 0.000 0.499 147 Y N 2.595 123.090 120.300 0.325 0.000 2.383 147 Y HA 0.455 5.008 4.550 0.005 0.000 0.344 147 Y C -0.037 175.924 175.900 0.101 0.000 0.986 147 Y CA -0.774 57.373 58.100 0.079 0.000 1.175 147 Y CB 0.834 39.222 38.460 -0.120 0.000 1.152 147 Y HN 0.194 nan 8.280 nan 0.000 0.511 148 V N 5.718 125.653 119.914 0.034 0.000 2.347 148 V HA 0.297 4.420 4.120 0.005 0.000 0.280 148 V C -0.690 175.351 176.094 -0.089 0.000 1.021 148 V CA -0.951 61.397 62.300 0.081 0.000 0.847 148 V CB 0.321 32.165 31.823 0.035 0.000 0.990 148 V HN 0.436 nan 8.190 nan 0.000 0.444 149 F N 3.059 123.098 119.950 0.147 0.000 2.361 149 F HA 0.519 5.049 4.527 0.005 0.000 0.364 149 F C 0.159 176.093 175.800 0.223 0.000 1.117 149 F CA -0.770 57.377 58.000 0.245 0.000 1.071 149 F CB 1.284 40.366 39.000 0.137 0.000 1.188 149 F HN 0.410 nan 8.300 nan 0.000 0.464 150 D N 3.908 124.547 120.400 0.398 0.000 2.481 150 D HA 0.265 4.909 4.640 0.005 0.000 0.246 150 D C -1.319 175.218 176.300 0.394 0.000 1.109 150 D CA -0.570 53.650 54.000 0.366 0.000 0.845 150 D CB 1.491 42.525 40.800 0.389 0.000 1.160 150 D HN 0.354 nan 8.370 nan 0.000 0.534 151 L N 5.134 126.566 121.223 0.348 0.000 2.315 151 L HA 0.285 4.628 4.340 0.005 0.000 0.283 151 L C 0.342 177.321 176.870 0.182 0.000 1.089 151 L CA 0.138 55.136 54.840 0.264 0.000 0.833 151 L CB 0.530 42.707 42.059 0.197 0.000 1.170 151 L HN 0.608 nan 8.230 nan 0.000 0.442 152 L N 3.699 125.001 121.223 0.132 0.000 2.307 152 L HA 0.193 4.536 4.340 0.005 0.000 0.211 152 L C 0.198 177.064 176.870 -0.006 0.000 1.099 152 L CA 0.205 55.058 54.840 0.021 0.000 0.816 152 L CB -0.192 41.891 42.059 0.040 0.000 0.952 152 L HN 0.621 nan 8.230 nan 0.000 0.455 153 N N 0.231 118.952 118.700 0.034 0.000 2.407 153 N HA 0.311 5.055 4.740 0.005 0.000 0.277 153 N C -1.006 174.508 175.510 0.008 0.000 0.995 153 N CA 0.107 53.164 53.050 0.012 0.000 0.903 153 N CB 2.265 40.763 38.487 0.017 0.000 1.218 153 N HN -0.130 nan 8.380 nan 0.000 0.487 154 S N 1.554 117.243 115.700 -0.017 0.000 2.564 154 S HA 0.541 5.014 4.470 0.005 0.000 0.274 154 S C -2.047 172.486 174.600 -0.112 0.000 1.124 154 S CA -1.445 56.724 58.200 -0.052 0.000 0.869 154 S CB 1.631 64.829 63.200 -0.003 0.000 1.105 154 S HN 0.218 nan 8.310 nan 0.000 0.472 155 P HA -0.028 nan 4.420 nan 0.000 0.225 155 P C 0.194 177.343 177.300 -0.251 0.000 1.148 155 P CA 1.067 63.985 63.100 -0.303 0.000 0.779 155 P CB -0.163 31.249 31.700 -0.479 0.000 0.780 156 Y N -0.010 120.297 120.300 0.012 0.000 2.468 156 Y HA 0.525 5.078 4.550 0.005 0.000 0.268 156 Y C 1.478 177.361 175.900 -0.027 0.000 1.177 156 Y CA -0.273 57.823 58.100 -0.005 0.000 1.265 156 Y CB -0.075 38.379 38.460 -0.010 0.000 1.103 156 Y HN -0.041 nan 8.280 nan 0.000 0.522 157 G N 0.249 109.088 108.800 0.065 0.000 2.306 157 G HA2 -0.030 3.933 3.960 0.005 0.000 0.340 157 G HA3 -0.030 3.933 3.960 0.005 0.000 0.340 157 G C -1.602 173.289 174.900 -0.015 0.000 1.630 157 G CA -1.310 43.802 45.100 0.020 0.000 0.937 157 G HN -0.035 nan 8.290 nan 0.000 0.693 158 N N -0.148 118.538 118.700 -0.024 0.000 2.438 158 N HA 0.700 5.443 4.740 0.005 0.000 0.282 158 N C 0.457 175.927 175.510 -0.066 0.000 1.037 158 N CA -0.135 52.891 53.050 -0.039 0.000 0.942 158 N CB 2.049 40.522 38.487 -0.023 0.000 1.136 158 N HN 1.202 nan 8.380 nan 0.000 0.481 159 V N -1.231 118.610 119.914 -0.122 0.000 3.126 159 V HA 0.626 4.749 4.120 0.005 0.000 0.314 159 V C 0.018 176.022 176.094 -0.150 0.000 1.138 159 V CA -0.962 61.224 62.300 -0.190 0.000 1.034 159 V CB 2.204 33.752 31.823 -0.460 0.000 1.075 159 V HN 0.329 nan 8.190 nan 0.000 0.442 160 E N 0.506 120.656 120.200 -0.083 0.000 2.314 160 E HA 0.376 4.729 4.350 0.005 0.000 0.262 160 E C -0.251 176.415 176.600 0.110 0.000 1.093 160 E CA -0.458 55.952 56.400 0.017 0.000 0.908 160 E CB 0.900 30.627 29.700 0.046 0.000 1.091 160 E HN 0.811 nan 8.360 nan 0.000 0.425 161 E N 0.605 120.913 120.200 0.180 0.000 2.413 161 E HA -0.066 4.287 4.350 0.005 0.000 0.263 161 E C -0.443 176.359 176.600 0.336 0.000 1.015 161 E CA 0.001 56.608 56.400 0.345 0.000 0.916 161 E CB 0.495 30.377 29.700 0.303 0.000 0.947 161 E HN 0.320 nan 8.360 nan 0.000 0.440 162 W N 3.108 124.508 121.300 0.167 0.000 2.210 162 W HA 0.024 4.687 4.660 0.005 0.000 0.330 162 W C -0.097 176.219 176.519 -0.338 0.000 1.334 162 W CA -0.079 57.171 57.345 -0.158 0.000 1.227 162 W CB 0.759 30.025 29.460 -0.322 0.000 1.178 162 W HN 0.206 nan 8.180 nan 0.000 0.560 163 S N 7.073 122.217 115.700 -0.927 0.000 2.438 163 S HA 0.189 4.663 4.470 0.005 0.000 0.316 163 S C 0.763 174.470 174.600 -1.488 0.000 1.084 163 S CA -0.760 56.888 58.200 -0.921 0.000 1.107 163 S CB 0.579 63.487 63.200 -0.485 0.000 0.981 163 S HN 0.695 nan 8.310 nan 0.000 0.466 164 I N 4.413 124.142 120.570 -1.402 0.000 2.454 164 I HA -0.114 4.059 4.170 0.005 0.000 0.254 164 I C 1.677 177.467 176.117 -0.545 0.000 1.156 164 I CA 1.492 62.128 61.300 -1.107 0.000 1.433 164 I CB 0.157 37.835 38.000 -0.536 0.000 1.082 164 I HN 0.687 nan 8.210 nan 0.000 0.432 165 E N 0.813 120.755 120.200 -0.430 0.000 2.047 165 E HA -0.170 4.183 4.350 0.005 0.000 0.191 165 E C 2.085 178.542 176.600 -0.238 0.000 0.987 165 E CA 1.526 57.770 56.400 -0.260 0.000 0.799 165 E CB -0.232 29.348 29.700 -0.200 0.000 0.752 165 E HN 0.501 nan 8.360 nan 0.000 0.449 166 I N 0.754 121.149 120.570 -0.292 0.000 2.315 166 I HA -0.240 3.934 4.170 0.005 0.000 0.248 166 I C 2.311 178.312 176.117 -0.192 0.000 1.117 166 I CA 0.885 62.054 61.300 -0.219 0.000 1.404 166 I CB -0.326 37.546 38.000 -0.213 0.000 1.071 166 I HN 0.096 nan 8.210 nan 0.000 0.419 167 A N 0.898 123.545 122.820 -0.289 0.000 1.917 167 A HA -0.229 4.094 4.320 0.005 0.000 0.219 167 A C 2.505 180.066 177.584 -0.039 0.000 1.182 167 A CA 2.086 54.063 52.037 -0.101 0.000 0.633 167 A CB -0.800 18.192 19.000 -0.013 0.000 0.819 167 A HN 0.449 nan 8.150 nan 0.000 0.448 168 A N -0.588 122.178 122.820 -0.091 0.000 2.014 168 A HA 0.043 4.366 4.320 0.005 0.000 0.218 168 A C 1.301 178.859 177.584 -0.043 0.000 1.163 168 A CA 0.784 52.787 52.037 -0.057 0.000 0.652 168 A CB -0.201 18.754 19.000 -0.075 0.000 0.808 168 A HN 0.539 nan 8.150 nan 0.000 0.449 169 K N -0.244 120.123 120.400 -0.055 0.000 2.276 169 K HA 0.305 4.628 4.320 0.005 0.000 0.259 169 K C -0.591 175.999 176.600 -0.017 0.000 1.001 169 K CA -0.589 55.674 56.287 -0.040 0.000 0.927 169 K CB 0.346 32.816 32.500 -0.051 0.000 0.969 169 K HN 0.154 nan 8.250 nan 0.000 0.490 170 L N 2.630 123.846 121.223 -0.012 0.000 2.483 170 L HA -0.110 4.234 4.340 0.005 0.000 0.275 170 L C 1.804 178.679 176.870 0.008 0.000 1.220 170 L CA 0.716 55.556 54.840 -0.000 0.000 0.833 170 L CB 0.346 42.402 42.059 -0.004 0.000 1.102 170 L HN 0.581 nan 8.230 nan 0.000 0.490 171 Q N 1.098 120.911 119.800 0.023 0.000 2.181 171 Q HA -0.207 4.136 4.340 0.005 0.000 0.205 171 Q C 1.428 177.439 176.000 0.019 0.000 0.980 171 Q CA 1.514 57.337 55.803 0.033 0.000 0.862 171 Q CB 0.060 28.827 28.738 0.049 0.000 0.905 171 Q HN 0.637 nan 8.270 nan 0.000 0.429 172 E N 0.271 120.477 120.200 0.011 0.000 2.427 172 E HA -0.080 4.273 4.350 0.005 0.000 0.196 172 E C 1.167 177.767 176.600 -0.002 0.000 1.028 172 E CA 0.427 56.830 56.400 0.005 0.000 0.864 172 E CB 0.124 29.825 29.700 0.002 0.000 0.813 172 E HN 0.353 nan 8.360 nan 0.000 0.514 173 Q N -0.853 118.944 119.800 -0.005 0.000 2.282 173 Q HA 0.198 4.541 4.340 0.005 0.000 0.206 173 Q C 0.580 176.570 176.000 -0.015 0.000 0.878 173 Q CA 0.327 56.122 55.803 -0.013 0.000 0.944 173 Q CB 0.956 29.682 28.738 -0.020 0.000 1.100 173 Q HN 0.340 nan 8.270 nan 0.000 0.509 174 G N 0.344 109.140 108.800 -0.007 0.000 2.141 174 G HA2 -0.232 3.731 3.960 0.005 0.000 0.242 174 G HA3 -0.232 3.731 3.960 0.005 0.000 0.242 174 G C 0.337 175.228 174.900 -0.015 0.000 0.982 174 G CA -0.189 44.907 45.100 -0.008 0.000 0.662 174 G HN 0.507 nan 8.290 nan 0.000 0.527 175 G N -1.053 107.740 108.800 -0.012 0.000 2.537 175 G HA2 0.523 4.486 3.960 0.005 0.000 0.297 175 G HA3 0.523 4.486 3.960 0.005 0.000 0.297 175 G C 0.330 175.241 174.900 0.018 0.000 1.310 175 G CA 0.391 45.481 45.100 -0.017 0.000 1.027 175 G HN 0.064 nan 8.290 nan 0.000 0.505 176 D N -0.921 119.500 120.400 0.035 0.000 2.379 176 D HA 0.064 4.707 4.640 0.005 0.000 0.208 176 D C 0.382 176.767 176.300 0.142 0.000 1.065 176 D CA 0.075 54.140 54.000 0.108 0.000 0.848 176 D CB 0.509 41.380 40.800 0.119 0.000 0.949 176 D HN 0.638 nan 8.370 nan 0.000 0.509 177 E N 0.465 120.711 120.200 0.075 0.000 2.297 177 E HA -0.159 4.194 4.350 0.005 0.000 0.228 177 E C -0.603 176.033 176.600 0.061 0.000 1.213 177 E CA -0.183 56.251 56.400 0.056 0.000 0.712 177 E CB -0.956 28.776 29.700 0.053 0.000 1.202 177 E HN 0.038 nan 8.360 nan 0.000 0.376 178 V N 1.283 121.234 119.914 0.062 0.000 2.485 178 V HA 0.052 4.175 4.120 0.005 0.000 0.287 178 V C -1.661 174.418 176.094 -0.025 0.000 1.022 178 V CA -0.759 61.559 62.300 0.029 0.000 1.067 178 V CB 0.390 32.247 31.823 0.056 0.000 0.967 178 V HN 0.156 nan 8.190 nan 0.000 0.479 179 P HA -0.027 nan 4.420 nan 0.000 0.261 179 P C 0.995 178.239 177.300 -0.093 0.000 1.173 179 P CA 0.518 63.592 63.100 -0.044 0.000 0.760 179 P CB 0.561 32.260 31.700 -0.001 0.000 0.783 180 S N 3.316 118.988 115.700 -0.047 0.000 2.387 180 S HA -0.203 4.270 4.470 0.005 0.000 0.230 180 S C 1.553 176.121 174.600 -0.054 0.000 1.035 180 S CA 1.574 59.747 58.200 -0.044 0.000 1.014 180 S CB -0.570 62.616 63.200 -0.023 0.000 0.836 180 S HN 0.619 nan 8.310 nan 0.000 0.466 181 E N 1.384 121.551 120.200 -0.056 0.000 2.409 181 E HA -0.111 4.242 4.350 0.005 0.000 0.198 181 E C 1.751 178.296 176.600 -0.091 0.000 1.024 181 E CA 1.096 57.472 56.400 -0.040 0.000 0.861 181 E CB -0.496 29.213 29.700 0.016 0.000 0.788 181 E HN 0.903 nan 8.360 nan 0.000 0.521 182 I N -3.280 117.159 120.570 -0.218 0.000 4.181 182 I HA 0.116 4.290 4.170 0.005 0.000 0.331 182 I C 1.796 177.816 176.117 -0.161 0.000 1.312 182 I CA -0.441 60.702 61.300 -0.262 0.000 1.146 182 I CB 0.029 37.575 38.000 -0.757 0.000 1.074 182 I HN -0.237 nan 8.210 nan 0.000 0.402 183 I N 2.840 123.343 120.570 -0.112 0.000 2.151 183 I HA -0.270 3.903 4.170 0.005 0.000 0.243 183 I C 1.633 177.756 176.117 0.009 0.000 1.080 183 I CA 1.833 63.108 61.300 -0.041 0.000 1.339 183 I CB -1.095 36.885 38.000 -0.034 0.000 1.039 183 I HN 0.353 nan 8.210 nan 0.000 0.409 184 D N 0.545 120.954 120.400 0.015 0.000 2.378 184 D HA -0.077 4.566 4.640 0.005 0.000 0.227 184 D C 1.688 178.027 176.300 0.065 0.000 1.012 184 D CA 0.643 54.665 54.000 0.037 0.000 0.905 184 D CB -0.044 40.775 40.800 0.031 0.000 0.895 184 D HN 0.416 nan 8.370 nan 0.000 0.532 185 K N -0.112 120.346 120.400 0.098 0.000 2.358 185 K HA 0.235 4.558 4.320 0.005 0.000 0.197 185 K C 0.395 177.122 176.600 0.213 0.000 1.025 185 K CA -0.114 56.282 56.287 0.180 0.000 1.104 185 K CB 1.221 33.916 32.500 0.325 0.000 0.855 185 K HN 0.074 nan 8.250 nan 0.000 0.531 186 I N 2.091 122.743 120.570 0.137 0.000 2.371 186 I HA 0.177 4.350 4.170 0.005 0.000 0.290 186 I C -0.115 176.050 176.117 0.081 0.000 1.028 186 I CA -0.399 60.978 61.300 0.129 0.000 1.345 186 I CB 0.924 39.003 38.000 0.132 0.000 1.407 186 I HN -0.090 nan 8.210 nan 0.000 0.501 187 I N 7.339 127.903 120.570 -0.010 0.000 2.359 187 I HA 0.182 4.355 4.170 0.005 0.000 0.284 187 I C -0.889 175.247 176.117 0.033 0.000 1.018 187 I CA -0.698 60.581 61.300 -0.035 0.000 1.173 187 I CB 0.815 38.680 38.000 -0.226 0.000 1.326 187 I HN 0.458 nan 8.210 nan 0.000 0.462 188 Y N 8.023 128.319 120.300 -0.007 0.000 2.326 188 Y HA 0.614 5.168 4.550 0.005 0.000 0.337 188 Y C -0.683 175.178 175.900 -0.066 0.000 1.023 188 Y CA -0.910 57.192 58.100 0.003 0.000 1.143 188 Y CB 1.194 39.783 38.460 0.216 0.000 1.183 188 Y HN 0.464 nan 8.280 nan 0.000 0.485 189 M N 10.210 129.361 119.600 -0.749 0.000 2.022 189 M HA 0.346 4.830 4.480 0.005 0.000 0.298 189 M C -2.701 173.008 176.300 -0.985 0.000 0.909 189 M CA -1.822 52.998 55.300 -0.800 0.000 0.914 189 M CB 1.832 34.064 32.600 -0.614 0.000 1.486 189 M HN 0.420 nan 8.290 nan 0.000 0.415 190 P HA 0.490 nan 4.420 nan 0.000 0.282 190 P C -1.303 175.604 177.300 -0.655 0.000 1.249 190 P CA -0.220 62.541 63.100 -0.565 0.000 0.806 190 P CB 0.831 32.375 31.700 -0.260 0.000 0.984 191 F N 0.622 120.572 119.950 0.002 0.000 2.556 191 F HA 0.211 4.741 4.527 0.005 0.000 0.314 191 F C 1.430 177.256 175.800 0.043 0.000 1.106 191 F CA -0.465 57.557 58.000 0.038 0.000 0.911 191 F CB 1.789 40.835 39.000 0.077 0.000 1.190 191 F HN 0.269 nan 8.300 nan 0.000 0.448 192 D N 0.243 120.766 120.400 0.205 0.000 2.317 192 D HA -0.033 4.610 4.640 0.005 0.000 0.211 192 D C -0.306 176.066 176.300 0.120 0.000 0.966 192 D CA 0.680 54.754 54.000 0.124 0.000 0.876 192 D CB -0.246 40.604 40.800 0.084 0.000 0.927 192 D HN 0.655 nan 8.370 nan 0.000 0.519 193 N N -1.601 117.195 118.700 0.160 0.000 2.591 193 N HA 0.057 4.800 4.740 0.005 0.000 0.263 193 N C 0.068 175.635 175.510 0.096 0.000 1.308 193 N CA -0.845 52.267 53.050 0.103 0.000 0.837 193 N CB 1.629 40.158 38.487 0.070 0.000 1.548 193 N HN -0.212 nan 8.380 nan 0.000 0.493 194 E N 0.378 120.608 120.200 0.050 0.000 2.150 194 E HA -0.135 4.218 4.350 0.005 0.000 0.193 194 E C 0.746 177.368 176.600 0.037 0.000 0.985 194 E CA 1.124 57.541 56.400 0.029 0.000 0.814 194 E CB 0.097 29.807 29.700 0.016 0.000 0.752 194 E HN 0.592 nan 8.360 nan 0.000 0.466 195 K N 0.397 120.836 120.400 0.064 0.000 2.026 195 K HA -0.197 4.126 4.320 0.005 0.000 0.208 195 K C 2.162 178.884 176.600 0.205 0.000 1.048 195 K CA 1.548 57.960 56.287 0.209 0.000 0.929 195 K CB -0.077 32.505 32.500 0.137 0.000 0.713 195 K HN -0.025 nan 8.250 nan 0.000 0.439 196 E N 1.247 121.512 120.200 0.108 0.000 2.077 196 E HA -0.148 4.205 4.350 0.005 0.000 0.193 196 E C 1.793 178.279 176.600 -0.190 0.000 0.989 196 E CA 0.782 57.231 56.400 0.083 0.000 0.800 196 E CB -0.145 29.689 29.700 0.224 0.000 0.746 196 E HN 0.220 nan 8.360 nan 0.000 0.452 197 L N -0.203 120.747 121.223 -0.454 0.000 1.989 197 L HA -0.200 4.143 4.340 0.005 0.000 0.211 197 L C 2.159 178.734 176.870 -0.493 0.000 1.071 197 L CA 1.412 55.617 54.840 -1.059 0.000 0.749 197 L CB -0.173 41.534 42.059 -0.585 0.000 0.890 197 L HN 0.226 nan 8.230 nan 0.000 0.431 198 L N -1.053 120.056 121.223 -0.191 0.000 2.093 198 L HA -0.212 4.131 4.340 0.005 0.000 0.208 198 L C 2.627 179.420 176.870 -0.129 0.000 1.085 198 L CA 1.228 56.020 54.840 -0.080 0.000 0.755 198 L CB -0.349 41.773 42.059 0.106 0.000 0.904 198 L HN 0.350 nan 8.230 nan 0.000 0.435 199 M N -0.958 118.545 119.600 -0.162 0.000 2.132 199 M HA -0.174 4.310 4.480 0.005 0.000 0.263 199 M C 2.246 178.497 176.300 -0.082 0.000 1.065 199 M CA 1.478 56.649 55.300 -0.215 0.000 1.122 199 M CB -0.299 32.197 32.600 -0.175 0.000 1.365 199 M HN 0.160 nan 8.290 nan 0.000 0.411 200 E N -0.316 119.878 120.200 -0.010 0.000 2.072 200 E HA -0.204 4.150 4.350 0.005 0.000 0.191 200 E C 1.805 178.524 176.600 0.198 0.000 0.985 200 E CA 1.345 57.838 56.400 0.154 0.000 0.801 200 E CB -0.410 29.489 29.700 0.332 0.000 0.750 200 E HN 0.514 nan 8.360 nan 0.000 0.452 201 Y N 1.427 121.641 120.300 -0.143 0.000 2.165 201 Y HA -0.186 4.367 4.550 0.005 0.000 0.286 201 Y C 2.234 178.111 175.900 -0.038 0.000 1.155 201 Y CA 1.314 59.207 58.100 -0.345 0.000 1.164 201 Y CB -0.394 37.672 38.460 -0.657 0.000 0.978 201 Y HN -0.049 nan 8.280 nan 0.000 0.513 202 L N -0.187 120.963 121.223 -0.121 0.000 2.046 202 L HA -0.261 4.083 4.340 0.005 0.000 0.208 202 L C 2.037 178.862 176.870 -0.074 0.000 1.077 202 L CA 1.880 56.615 54.840 -0.175 0.000 0.747 202 L CB -0.637 41.289 42.059 -0.222 0.000 0.896 202 L HN 0.308 nan 8.230 nan 0.000 0.432 203 N N -0.503 118.184 118.700 -0.021 0.000 2.120 203 N HA -0.230 4.513 4.740 0.005 0.000 0.188 203 N C 1.791 177.321 175.510 0.033 0.000 1.024 203 N CA 1.123 54.181 53.050 0.012 0.000 0.852 203 N CB -0.168 38.346 38.487 0.045 0.000 1.003 203 N HN 0.191 nan 8.380 nan 0.000 0.424 204 F N 1.290 121.191 119.950 -0.081 0.000 2.095 204 F HA -0.208 4.322 4.527 0.005 0.000 0.298 204 F C 2.219 177.871 175.800 -0.248 0.000 1.104 204 F CA 1.313 59.226 58.000 -0.146 0.000 1.232 204 F CB -0.384 38.588 39.000 -0.047 0.000 0.987 204 F HN 0.194 nan 8.300 nan 0.000 0.475 205 W N 1.882 122.840 121.300 -0.570 0.000 2.338 205 W HA -0.270 4.393 4.660 0.005 0.000 0.304 205 W C 2.368 178.614 176.519 -0.456 0.000 1.212 205 W CA 2.267 59.222 57.345 -0.650 0.000 1.264 205 W CB -0.861 28.254 29.460 -0.574 0.000 1.142 205 W HN 0.306 nan 8.180 nan 0.000 0.512 206 Q N -0.234 119.535 119.800 -0.053 0.000 2.084 206 Q HA -0.243 4.100 4.340 0.005 0.000 0.202 206 Q C 2.231 178.124 176.000 -0.178 0.000 0.978 206 Q CA 1.490 57.248 55.803 -0.074 0.000 0.844 206 Q CB -0.190 28.521 28.738 -0.044 0.000 0.898 206 Q HN 0.191 nan 8.270 nan 0.000 0.426 207 Q N 0.325 119.983 119.800 -0.236 0.000 2.123 207 Q HA -0.027 4.316 4.340 0.005 0.000 0.199 207 Q C 0.198 175.988 176.000 -0.350 0.000 0.966 207 Q CA 1.183 56.839 55.803 -0.246 0.000 0.845 207 Q CB 0.354 28.968 28.738 -0.206 0.000 0.907 207 Q HN 0.226 nan 8.270 nan 0.000 0.439 208 K N 0.936 120.993 120.400 -0.571 0.000 2.877 208 K HA 0.258 4.581 4.320 0.005 0.000 0.176 208 K C -0.960 175.220 176.600 -0.700 0.000 1.075 208 K CA -0.094 55.817 56.287 -0.627 0.000 0.939 208 K CB 1.174 33.160 32.500 -0.857 0.000 1.237 208 K HN -0.154 nan 8.250 nan 0.000 0.607 209 T N 3.302 117.529 114.554 -0.544 0.000 2.769 209 T HA 0.132 4.485 4.350 0.005 0.000 0.293 209 T C -2.314 172.070 174.700 -0.526 0.000 0.931 209 T CA -1.301 60.417 62.100 -0.636 0.000 1.139 209 T CB 0.292 68.944 68.868 -0.359 0.000 0.881 209 T HN 0.099 nan 8.240 nan 0.000 0.532 210 P HA 0.086 nan 4.420 nan 0.000 0.266 210 P C 0.507 177.688 177.300 -0.199 0.000 1.195 210 P CA -0.129 62.737 63.100 -0.390 0.000 0.768 210 P CB 0.635 32.057 31.700 -0.464 0.000 0.838 211 V N 3.343 123.204 119.914 -0.088 0.000 2.521 211 V HA 0.041 4.164 4.120 0.005 0.000 0.239 211 V C 1.010 177.122 176.094 0.030 0.000 1.053 211 V CA 1.156 63.452 62.300 -0.008 0.000 1.073 211 V CB -0.165 31.678 31.823 0.033 0.000 0.746 211 V HN 0.406 nan 8.190 nan 0.000 0.476 212 I N 2.069 122.666 120.570 0.046 0.000 2.336 212 I HA 0.404 4.577 4.170 0.005 0.000 0.292 212 I C -0.692 175.482 176.117 0.095 0.000 0.991 212 I CA -0.403 60.947 61.300 0.083 0.000 1.227 212 I CB 1.173 39.237 38.000 0.107 0.000 1.366 212 I HN 0.088 nan 8.210 nan 0.000 0.466 213 L N 6.756 128.062 121.223 0.137 0.000 2.319 213 L HA 0.643 4.986 4.340 0.005 0.000 0.281 213 L C -0.120 176.914 176.870 0.273 0.000 1.005 213 L CA 0.425 55.382 54.840 0.194 0.000 0.828 213 L CB 1.625 43.817 42.059 0.222 0.000 1.227 213 L HN 0.752 nan 8.230 nan 0.000 0.415 214 T N 2.525 117.270 114.554 0.319 0.000 2.669 214 T HA 0.981 5.334 4.350 0.005 0.000 0.283 214 T C -0.408 174.507 174.700 0.358 0.000 1.019 214 T CA -0.036 62.272 62.100 0.347 0.000 1.039 214 T CB 1.412 70.514 68.868 0.389 0.000 1.374 214 T HN 1.139 nan 8.240 nan 0.000 0.523 215 G N -0.237 108.773 108.800 0.349 0.000 2.320 215 G HA2 0.173 4.136 3.960 0.005 0.000 0.274 215 G HA3 0.173 4.136 3.960 0.005 0.000 0.274 215 G C -2.089 173.034 174.900 0.371 0.000 1.324 215 G CA -0.429 44.846 45.100 0.292 0.000 0.957 215 G HN 0.718 nan 8.290 nan 0.000 0.481 216 W N 1.969 123.319 121.300 0.083 0.000 2.362 216 W HA 0.478 5.141 4.660 0.005 0.000 0.316 216 W C 0.333 176.896 176.519 0.073 0.000 1.024 216 W CA -0.178 57.224 57.345 0.095 0.000 1.270 216 W CB 0.856 30.351 29.460 0.059 0.000 1.273 216 W HN 0.729 nan 8.180 nan 0.000 0.424 217 N N 2.879 121.471 118.700 -0.179 0.000 2.741 217 N HA -0.227 4.516 4.740 0.005 0.000 0.250 217 N C 0.965 176.527 175.510 0.086 0.000 1.115 217 N CA 1.493 54.510 53.050 -0.055 0.000 0.724 217 N CB -1.619 36.892 38.487 0.039 0.000 1.090 217 N HN 0.420 nan 8.380 nan 0.000 0.558 218 V N -2.233 117.721 119.914 0.066 0.000 2.427 218 V HA -0.137 3.986 4.120 0.005 0.000 0.248 218 V C 2.046 178.226 176.094 0.143 0.000 1.051 218 V CA 2.247 64.604 62.300 0.094 0.000 1.048 218 V CB -0.333 31.573 31.823 0.140 0.000 0.666 218 V HN 0.357 nan 8.190 nan 0.000 0.456 219 E N 1.430 121.683 120.200 0.088 0.000 2.107 219 E HA -0.159 4.194 4.350 0.005 0.000 0.191 219 E C 2.242 178.873 176.600 0.053 0.000 0.982 219 E CA 1.453 57.888 56.400 0.057 0.000 0.809 219 E CB -0.047 29.643 29.700 -0.018 0.000 0.756 219 E HN 0.870 nan 8.360 nan 0.000 0.459 220 S N -1.218 114.521 115.700 0.065 0.000 2.470 220 S HA 0.019 4.492 4.470 0.005 0.000 0.222 220 S C 1.433 176.182 174.600 0.248 0.000 1.024 220 S CA -0.010 58.253 58.200 0.105 0.000 0.931 220 S CB 0.067 63.301 63.200 0.057 0.000 0.791 220 S HN 0.371 nan 8.310 nan 0.000 0.513 221 F N 1.138 121.155 119.950 0.111 0.000 2.362 221 F HA 0.601 5.131 4.527 0.005 0.000 0.264 221 F C 2.333 178.238 175.800 0.175 0.000 0.905 221 F CA 0.385 58.488 58.000 0.171 0.000 1.142 221 F CB -0.469 38.639 39.000 0.179 0.000 1.250 221 F HN 0.149 nan 8.300 nan 0.000 0.771 222 A N 1.377 124.251 122.820 0.090 0.000 1.865 222 A HA -0.140 4.184 4.320 0.005 0.000 0.217 222 A C 2.094 179.777 177.584 0.164 0.000 1.191 222 A CA 2.300 54.323 52.037 -0.023 0.000 0.623 222 A CB -1.352 17.516 19.000 -0.220 0.000 0.826 222 A HN 0.512 nan 8.150 nan 0.000 0.444 223 I N 0.387 121.126 120.570 0.281 0.000 2.142 223 I HA -0.159 4.014 4.170 0.005 0.000 0.240 223 I C -0.427 175.785 176.117 0.158 0.000 1.078 223 I CA 1.605 63.086 61.300 0.302 0.000 1.343 223 I CB -1.090 37.074 38.000 0.274 0.000 1.046 223 I HN 0.265 nan 8.210 nan 0.000 0.405 224 P HA -0.220 nan 4.420 nan 0.000 0.217 224 P C 1.567 178.883 177.300 0.028 0.000 1.150 224 P CA 1.683 64.818 63.100 0.059 0.000 0.832 224 P CB -0.165 31.559 31.700 0.039 0.000 0.787 225 Y N 0.912 121.104 120.300 -0.181 0.000 2.145 225 Y HA -0.179 4.374 4.550 0.005 0.000 0.286 225 Y C 2.433 178.267 175.900 -0.110 0.000 1.145 225 Y CA 1.321 59.266 58.100 -0.259 0.000 1.148 225 Y CB -0.973 37.089 38.460 -0.663 0.000 0.981 225 Y HN -0.310 nan 8.280 nan 0.000 0.507 226 V N -0.581 119.430 119.914 0.163 0.000 2.287 226 V HA -0.345 3.778 4.120 0.005 0.000 0.248 226 V C 2.026 178.144 176.094 0.041 0.000 1.053 226 V CA 2.292 64.668 62.300 0.126 0.000 1.027 226 V CB -1.096 30.821 31.823 0.157 0.000 0.646 226 V HN 0.564 nan 8.190 nan 0.000 0.447 227 Y N 1.564 121.828 120.300 -0.060 0.000 2.128 227 Y HA -0.244 4.309 4.550 0.005 0.000 0.284 227 Y C 2.567 178.408 175.900 -0.097 0.000 1.154 227 Y CA 2.176 60.224 58.100 -0.087 0.000 1.149 227 Y CB -0.270 38.147 38.460 -0.071 0.000 0.976 227 Y HN 0.273 nan 8.280 nan 0.000 0.505 228 N N 0.068 118.748 118.700 -0.033 0.000 2.270 228 N HA -0.136 4.607 4.740 0.005 0.000 0.181 228 N C 1.926 177.288 175.510 -0.246 0.000 1.016 228 N CA 1.104 54.061 53.050 -0.155 0.000 0.870 228 N CB -0.343 38.060 38.487 -0.141 0.000 0.979 228 N HN 0.265 nan 8.380 nan 0.000 0.431 229 R N 1.438 121.782 120.500 -0.261 0.000 2.066 229 R HA 0.121 4.464 4.340 0.005 0.000 0.232 229 R C 2.145 178.375 176.300 -0.118 0.000 1.131 229 R CA 0.938 56.920 56.100 -0.196 0.000 0.955 229 R CB -0.653 29.595 30.300 -0.086 0.000 0.851 229 R HN 0.174 nan 8.270 nan 0.000 0.432 230 I N 0.547 121.066 120.570 -0.084 0.000 2.226 230 I HA -0.287 3.886 4.170 0.005 0.000 0.245 230 I C 2.457 178.543 176.117 -0.051 0.000 1.100 230 I CA 1.472 62.784 61.300 0.021 0.000 1.374 230 I CB -0.356 37.614 38.000 -0.050 0.000 1.057 230 I HN 0.251 nan 8.210 nan 0.000 0.413 231 K N 0.961 121.211 120.400 -0.250 0.000 2.032 231 K HA -0.217 4.106 4.320 0.005 0.000 0.209 231 K C 1.943 178.446 176.600 -0.162 0.000 1.048 231 K CA 1.728 57.859 56.287 -0.260 0.000 0.927 231 K CB -0.024 32.248 32.500 -0.380 0.000 0.712 231 K HN 0.259 nan 8.250 nan 0.000 0.441 232 N N 0.758 119.357 118.700 -0.169 0.000 2.120 232 N HA -0.127 4.616 4.740 0.005 0.000 0.188 232 N C 1.832 177.230 175.510 -0.185 0.000 1.024 232 N CA 1.254 54.209 53.050 -0.158 0.000 0.852 232 N CB -0.125 38.263 38.487 -0.165 0.000 1.003 232 N HN 0.263 nan 8.380 nan 0.000 0.424 233 I N -1.210 119.215 120.570 -0.243 0.000 2.333 233 I HA -0.100 4.074 4.170 0.005 0.000 0.246 233 I C 0.999 176.779 176.117 -0.563 0.000 1.106 233 I CA 0.986 62.008 61.300 -0.464 0.000 1.411 233 I CB -0.010 37.581 38.000 -0.682 0.000 1.082 233 I HN -0.027 nan 8.210 nan 0.000 0.420 234 F N 0.071 119.955 119.950 -0.111 0.000 2.727 234 F HA 0.438 4.968 4.527 0.005 0.000 0.302 234 F C 1.129 176.867 175.800 -0.104 0.000 1.107 234 F CA 0.339 58.278 58.000 -0.100 0.000 1.277 234 F CB 0.568 39.504 39.000 -0.107 0.000 1.079 234 F HN 0.067 nan 8.300 nan 0.000 0.594 235 G N 0.742 109.557 108.800 0.026 0.000 2.612 235 G HA2 -0.193 3.770 3.960 0.005 0.000 0.686 235 G HA3 -0.193 3.770 3.960 0.005 0.000 0.686 235 G C 0.144 175.002 174.900 -0.070 0.000 1.274 235 G CA -0.239 44.845 45.100 -0.027 0.000 0.849 235 G HN 0.164 nan 8.290 nan 0.000 0.595 236 E N -0.336 119.816 120.200 -0.081 0.000 2.077 236 E HA -0.155 4.199 4.350 0.005 0.000 0.193 236 E C 2.844 179.389 176.600 -0.091 0.000 0.989 236 E CA 2.135 58.473 56.400 -0.104 0.000 0.800 236 E CB -0.120 29.554 29.700 -0.043 0.000 0.746 236 E HN 0.792 nan 8.360 nan 0.000 0.452 237 S N -0.491 115.175 115.700 -0.058 0.000 2.382 237 S HA -0.155 4.318 4.470 0.005 0.000 0.228 237 S C 2.059 176.612 174.600 -0.078 0.000 1.027 237 S CA 1.672 59.840 58.200 -0.052 0.000 0.991 237 S CB -0.610 62.566 63.200 -0.039 0.000 0.823 237 S HN 0.160 nan 8.310 nan 0.000 0.469 238 T N 2.560 117.057 114.554 -0.095 0.000 2.777 238 T HA 0.167 4.521 4.350 0.005 0.000 0.266 238 T C 2.238 176.826 174.700 -0.186 0.000 1.040 238 T CA 1.258 63.270 62.100 -0.147 0.000 1.141 238 T CB -0.817 67.957 68.868 -0.156 0.000 0.868 238 T HN 0.633 nan 8.240 nan 0.000 0.444 239 A N 1.756 124.441 122.820 -0.225 0.000 1.972 239 A HA -0.103 4.220 4.320 0.005 0.000 0.219 239 A C 2.146 179.642 177.584 -0.147 0.000 1.169 239 A CA 1.376 53.196 52.037 -0.361 0.000 0.635 239 A CB -0.425 18.057 19.000 -0.863 0.000 0.810 239 A HN 0.441 nan 8.150 nan 0.000 0.446 240 K N -0.582 119.795 120.400 -0.037 0.000 2.504 240 K HA 0.002 4.325 4.320 0.005 0.000 0.195 240 K C 1.695 178.289 176.600 -0.011 0.000 1.036 240 K CA 0.422 56.758 56.287 0.082 0.000 0.984 240 K CB -0.058 32.476 32.500 0.057 0.000 0.788 240 K HN 0.411 nan 8.250 nan 0.000 0.488 241 R N 0.474 120.921 120.500 -0.088 0.000 2.328 241 R HA -0.004 4.339 4.340 0.005 0.000 0.207 241 R C 1.662 177.859 176.300 -0.171 0.000 1.056 241 R CA 0.485 56.517 56.100 -0.113 0.000 1.016 241 R CB -0.158 30.055 30.300 -0.145 0.000 0.872 241 R HN 0.171 nan 8.270 nan 0.000 0.471 242 L N 0.110 121.179 121.223 -0.257 0.000 2.362 242 L HA -0.040 4.303 4.340 0.005 0.000 0.219 242 L C 1.135 178.029 176.870 0.039 0.000 1.134 242 L CA 0.444 55.012 54.840 -0.454 0.000 0.807 242 L CB -0.089 41.695 42.059 -0.459 0.000 0.927 242 L HN 0.000 nan 8.230 nan 0.000 0.447 243 S N -0.061 115.668 115.700 0.048 0.000 2.480 243 S HA 0.288 4.761 4.470 0.005 0.000 0.286 243 S C -1.503 173.091 174.600 -0.010 0.000 1.180 243 S CA -1.650 56.591 58.200 0.069 0.000 1.075 243 S CB 1.206 64.451 63.200 0.074 0.000 0.996 243 S HN -0.091 nan 8.310 nan 0.000 0.487 244 P HA -0.048 nan 4.420 nan 0.000 0.226 244 P C 0.254 177.377 177.300 -0.295 0.000 1.153 244 P CA 1.023 63.983 63.100 -0.233 0.000 0.777 244 P CB -0.084 31.401 31.700 -0.357 0.000 0.794 245 H N -0.514 118.527 119.070 -0.049 0.000 2.542 245 H HA 0.271 4.831 4.556 0.005 0.000 0.283 245 H C 0.555 175.750 175.328 -0.223 0.000 1.059 245 H CA -0.239 55.672 56.048 -0.229 0.000 1.162 245 H CB 0.166 29.644 29.762 -0.472 0.000 1.539 245 H HN -0.046 nan 8.280 nan 0.000 0.543 246 R N 0.430 120.901 120.500 -0.048 0.000 3.627 246 R HA -0.202 4.141 4.340 0.005 0.000 0.281 246 R C 0.103 176.357 176.300 -0.076 0.000 1.140 246 R CA 0.526 56.596 56.100 -0.049 0.000 0.761 246 R CB -2.225 28.044 30.300 -0.052 0.000 1.181 246 R HN 0.440 nan 8.270 nan 0.000 0.472 247 K N 0.990 121.338 120.400 -0.086 0.000 2.376 247 K HA 0.405 4.728 4.320 0.005 0.000 0.257 247 K C -0.365 176.228 176.600 -0.012 0.000 0.939 247 K CA -0.158 56.014 56.287 -0.193 0.000 0.809 247 K CB 1.506 33.671 32.500 -0.559 0.000 1.121 247 K HN 0.164 nan 8.250 nan 0.000 0.425 248 T N 0.704 115.259 114.554 0.001 0.000 2.896 248 T HA 0.606 4.959 4.350 0.005 0.000 0.297 248 T C -1.047 173.683 174.700 0.051 0.000 1.108 248 T CA -1.032 61.114 62.100 0.076 0.000 1.004 248 T CB 1.781 70.598 68.868 -0.086 0.000 1.159 248 T HN 0.648 nan 8.240 nan 0.000 0.499 249 R N 1.021 121.562 120.500 0.067 0.000 2.564 249 R HA 0.610 4.954 4.340 0.005 0.000 0.284 249 R C -1.591 174.682 176.300 -0.045 0.000 1.031 249 R CA -0.690 55.437 56.100 0.044 0.000 0.904 249 R CB 1.960 32.360 30.300 0.166 0.000 1.199 249 R HN 0.652 nan 8.270 nan 0.000 0.443 250 V N 4.699 124.582 119.914 -0.053 0.000 2.479 250 V HA 0.141 4.264 4.120 0.005 0.000 0.281 250 V C 0.245 176.316 176.094 -0.039 0.000 1.031 250 V CA 0.267 62.531 62.300 -0.060 0.000 1.038 250 V CB 0.821 32.627 31.823 -0.029 0.000 0.981 250 V HN 0.631 nan 8.190 nan 0.000 0.478 251 K N 4.514 124.882 120.400 -0.052 0.000 2.274 251 K HA 0.547 4.870 4.320 0.005 0.000 0.262 251 K C -1.091 175.478 176.600 -0.052 0.000 0.961 251 K CA -0.640 55.616 56.287 -0.051 0.000 0.833 251 K CB 1.729 34.189 32.500 -0.067 0.000 1.102 251 K HN 0.481 nan 8.250 nan 0.000 0.436 252 V N 6.131 126.016 119.914 -0.048 0.000 2.408 252 V HA 0.202 4.325 4.120 0.005 0.000 0.267 252 V C 0.150 176.206 176.094 -0.064 0.000 1.047 252 V CA -0.646 61.626 62.300 -0.046 0.000 0.937 252 V CB 0.717 32.518 31.823 -0.037 0.000 0.999 252 V HN 0.648 nan 8.190 nan 0.000 0.472 253 I N 5.020 125.550 120.570 -0.066 0.000 2.297 253 I HA 0.390 4.564 4.170 0.005 0.000 0.291 253 I C 0.541 176.612 176.117 -0.076 0.000 1.033 253 I CA -0.220 61.029 61.300 -0.086 0.000 1.253 253 I CB 0.928 38.870 38.000 -0.098 0.000 1.396 253 I HN 0.669 nan 8.210 nan 0.000 0.476 254 E N 5.467 125.616 120.200 -0.084 0.000 2.231 254 E HA 0.331 4.685 4.350 0.005 0.000 0.277 254 E C -0.466 176.081 176.600 -0.088 0.000 0.999 254 E CA -0.542 55.813 56.400 -0.075 0.000 0.827 254 E CB 1.631 31.289 29.700 -0.070 0.000 1.101 254 E HN 0.648 nan 8.360 nan 0.000 0.393 255 N N 1.379 120.029 118.700 -0.083 0.000 2.966 255 N HA 0.187 4.930 4.740 0.005 0.000 0.314 255 N C 0.356 175.770 175.510 -0.160 0.000 1.397 255 N CA -0.787 52.197 53.050 -0.109 0.000 0.776 255 N CB 0.546 38.982 38.487 -0.086 0.000 1.576 255 N HN 0.437 nan 8.380 nan 0.000 0.592 256 M N -1.221 118.208 119.600 -0.285 0.000 2.202 256 M HA -0.045 4.438 4.480 0.005 0.000 0.262 256 M C -0.027 175.915 176.300 -0.597 0.000 1.063 256 M CA 1.745 56.720 55.300 -0.542 0.000 1.097 256 M CB -0.125 31.952 32.600 -0.872 0.000 1.382 256 M HN 0.671 nan 8.290 nan 0.000 0.413 257 Y N -1.080 119.213 120.300 -0.013 0.000 2.557 257 Y HA 0.506 5.059 4.550 0.005 0.000 0.247 257 Y C 0.747 176.638 175.900 -0.015 0.000 1.164 257 Y CA -0.384 57.709 58.100 -0.012 0.000 1.218 257 Y CB 0.719 39.176 38.460 -0.005 0.000 1.210 257 Y HN 0.270 nan 8.280 nan 0.000 0.529 258 G N -0.060 108.779 108.800 0.065 0.000 2.325 258 G HA2 0.403 4.366 3.960 0.005 0.000 0.295 258 G HA3 0.403 4.366 3.960 0.005 0.000 0.295 258 G C -1.486 173.414 174.900 -0.000 0.000 1.274 258 G CA -0.352 44.771 45.100 0.037 0.000 0.857 258 G HN 0.119 nan 8.290 nan 0.000 0.499 259 S N -1.256 114.443 115.700 -0.001 0.000 2.618 259 S HA 0.910 5.384 4.470 0.005 0.000 0.277 259 S C -0.584 174.011 174.600 -0.009 0.000 1.138 259 S CA -0.492 57.698 58.200 -0.017 0.000 0.844 259 S CB 2.509 65.697 63.200 -0.021 0.000 1.127 259 S HN 1.497 nan 8.310 nan 0.000 0.474 260 R N 0.213 120.701 120.500 -0.019 0.000 2.799 260 R HA 0.680 5.024 4.340 0.005 0.000 0.270 260 R C -1.513 174.779 176.300 -0.013 0.000 1.010 260 R CA -0.974 55.122 56.100 -0.006 0.000 0.916 260 R CB 1.340 31.636 30.300 -0.007 0.000 1.228 260 R HN 0.699 nan 8.270 nan 0.000 0.469 261 E N 1.682 121.883 120.200 0.002 0.000 2.195 261 E HA 0.460 4.814 4.350 0.005 0.000 0.271 261 E C -0.382 176.211 176.600 -0.011 0.000 0.923 261 E CA -0.895 55.500 56.400 -0.009 0.000 0.790 261 E CB 2.284 31.985 29.700 0.001 0.000 1.155 261 E HN 0.524 nan 8.360 nan 0.000 0.402 262 I N -1.513 119.036 120.570 -0.036 0.000 3.108 262 I HA 0.548 4.721 4.170 0.005 0.000 0.312 262 I C -0.904 175.166 176.117 -0.078 0.000 1.095 262 I CA -1.236 60.038 61.300 -0.043 0.000 1.000 262 I CB 1.618 39.587 38.000 -0.053 0.000 1.229 262 I HN 0.277 nan 8.210 nan 0.000 0.454 263 I N 2.188 122.696 120.570 -0.103 0.000 2.355 263 I HA 0.275 4.449 4.170 0.005 0.000 0.288 263 I C -0.085 175.945 176.117 -0.145 0.000 0.999 263 I CA -0.234 60.944 61.300 -0.203 0.000 1.163 263 I CB 1.033 38.800 38.000 -0.388 0.000 1.316 263 I HN 0.646 nan 8.210 nan 0.000 0.454 264 T N 7.740 122.222 114.554 -0.120 0.000 2.761 264 T HA 0.420 4.773 4.350 0.005 0.000 0.296 264 T C 0.415 175.095 174.700 -0.032 0.000 0.934 264 T CA -0.224 61.820 62.100 -0.093 0.000 1.091 264 T CB 0.273 69.069 68.868 -0.120 0.000 0.896 264 T HN 0.259 nan 8.240 nan 0.000 0.515 265 L N 4.547 125.760 121.223 -0.017 0.000 2.264 265 L HA 0.433 4.776 4.340 0.005 0.000 0.287 265 L C -0.134 176.795 176.870 0.100 0.000 1.039 265 L CA -0.857 54.029 54.840 0.076 0.000 0.829 265 L CB 0.123 42.240 42.059 0.097 0.000 1.211 265 L HN 0.519 nan 8.230 nan 0.000 0.427 266 F N 2.226 122.185 119.950 0.015 0.000 2.578 266 F HA 0.289 4.820 4.527 0.005 0.000 0.376 266 F C 1.505 177.361 175.800 0.092 0.000 1.085 266 F CA 1.168 59.209 58.000 0.068 0.000 1.260 266 F CB 0.742 39.781 39.000 0.065 0.000 1.095 266 F HN 0.740 nan 8.300 nan 0.000 0.573 267 G N 3.223 112.177 108.800 0.257 0.000 2.157 267 G HA2 -0.261 3.702 3.960 0.005 0.000 0.248 267 G HA3 -0.261 3.702 3.960 0.005 0.000 0.248 267 G C -0.159 174.782 174.900 0.068 0.000 0.979 267 G CA -0.117 45.086 45.100 0.172 0.000 0.650 267 G HN 0.553 nan 8.290 nan 0.000 0.529 268 I N 0.642 121.255 120.570 0.073 0.000 2.646 268 I HA 0.502 4.675 4.170 0.005 0.000 0.299 268 I C -0.232 175.922 176.117 0.061 0.000 1.036 268 I CA -0.886 60.458 61.300 0.072 0.000 1.074 268 I CB 2.335 40.410 38.000 0.125 0.000 1.258 268 I HN 0.002 nan 8.210 nan 0.000 0.430 269 S N 4.095 119.836 115.700 0.068 0.000 2.474 269 S HA 0.347 4.820 4.470 0.005 0.000 0.320 269 S C -0.288 174.373 174.600 0.101 0.000 1.067 269 S CA -0.510 57.730 58.200 0.066 0.000 1.127 269 S CB 0.951 64.182 63.200 0.051 0.000 0.971 269 S HN 0.271 nan 8.310 nan 0.000 0.472 270 V N 5.773 125.754 119.914 0.112 0.000 2.408 270 V HA 0.288 4.411 4.120 0.005 0.000 0.267 270 V C -0.079 176.133 176.094 0.196 0.000 1.047 270 V CA -0.160 62.233 62.300 0.155 0.000 0.937 270 V CB 0.474 32.379 31.823 0.136 0.000 0.999 270 V HN 0.717 nan 8.190 nan 0.000 0.472 271 L N 4.394 125.753 121.223 0.227 0.000 2.445 271 L HA 0.399 4.743 4.340 0.005 0.000 0.252 271 L C 0.025 177.060 176.870 0.275 0.000 1.105 271 L CA -0.493 54.526 54.840 0.299 0.000 0.943 271 L CB 1.085 43.266 42.059 0.203 0.000 1.277 271 L HN 0.531 nan 8.230 nan 0.000 0.465 272 D N 0.662 121.183 120.400 0.202 0.000 2.450 272 D HA -0.120 4.524 4.640 0.005 0.000 0.247 272 D C 0.754 177.120 176.300 0.110 0.000 1.162 272 D CA 0.426 54.494 54.000 0.113 0.000 0.879 272 D CB 0.828 41.602 40.800 -0.043 0.000 1.163 272 D HN 0.315 nan 8.370 nan 0.000 0.472 273 Y N 3.682 124.039 120.300 0.094 0.000 2.274 273 Y HA -0.143 4.410 4.550 0.005 0.000 0.290 273 Y C 2.199 178.049 175.900 -0.083 0.000 1.145 273 Y CA 0.967 59.177 58.100 0.183 0.000 1.203 273 Y CB -0.025 38.681 38.460 0.411 0.000 0.984 273 Y HN 0.590 nan 8.280 nan 0.000 0.533 274 I N -0.398 119.822 120.570 -0.583 0.000 2.264 274 I HA -0.346 3.827 4.170 0.005 0.000 0.248 274 I C 1.603 177.483 176.117 -0.395 0.000 1.111 274 I CA 1.878 62.593 61.300 -0.975 0.000 1.382 274 I CB -0.145 37.065 38.000 -1.316 0.000 1.060 274 I HN 0.204 nan 8.210 nan 0.000 0.418 275 D N 0.386 120.600 120.400 -0.310 0.000 2.162 275 D HA -0.094 4.549 4.640 0.005 0.000 0.203 275 D C 2.332 178.589 176.300 -0.072 0.000 0.967 275 D CA 1.005 54.837 54.000 -0.280 0.000 0.840 275 D CB -0.160 40.332 40.800 -0.513 0.000 0.972 275 D HN 0.365 nan 8.370 nan 0.000 0.482 276 L N 0.015 121.250 121.223 0.021 0.000 2.012 276 L HA -0.230 4.113 4.340 0.005 0.000 0.210 276 L C 2.535 179.171 176.870 -0.389 0.000 1.073 276 L CA 1.224 55.953 54.840 -0.185 0.000 0.748 276 L CB -0.554 41.340 42.059 -0.276 0.000 0.891 276 L HN 0.053 nan 8.230 nan 0.000 0.431 277 Y N 0.983 121.151 120.300 -0.220 0.000 2.128 277 Y HA -0.294 4.259 4.550 0.005 0.000 0.284 277 Y C 2.632 178.460 175.900 -0.121 0.000 1.154 277 Y CA 1.744 59.875 58.100 0.051 0.000 1.149 277 Y CB -0.050 38.681 38.460 0.453 0.000 0.976 277 Y HN -0.003 nan 8.280 nan 0.000 0.505 278 K N -0.031 120.330 120.400 -0.065 0.000 2.097 278 K HA -0.219 4.104 4.320 0.005 0.000 0.206 278 K C 2.199 178.536 176.600 -0.438 0.000 1.049 278 K CA 1.731 57.877 56.287 -0.235 0.000 0.933 278 K CB -0.140 32.152 32.500 -0.347 0.000 0.717 278 K HN 0.238 nan 8.250 nan 0.000 0.442 279 K N -0.114 119.933 120.400 -0.589 0.000 2.116 279 K HA -0.022 4.301 4.320 0.005 0.000 0.203 279 K C 1.332 177.364 176.600 -0.946 0.000 1.052 279 K CA 1.081 56.873 56.287 -0.825 0.000 0.952 279 K CB 0.200 32.059 32.500 -1.068 0.000 0.729 279 K HN 0.074 nan 8.250 nan 0.000 0.446 280 F N -0.403 119.113 119.950 -0.723 0.000 2.720 280 F HA 0.058 4.588 4.527 0.005 0.000 0.301 280 F C 2.186 177.686 175.800 -0.500 0.000 1.103 280 F CA -0.178 57.371 58.000 -0.752 0.000 1.291 280 F CB 0.628 38.918 39.000 -1.184 0.000 1.086 280 F HN 0.062 nan 8.300 nan 0.000 0.592 281 S N -0.116 115.351 115.700 -0.389 0.000 2.470 281 S HA -0.115 4.359 4.470 0.005 0.000 0.225 281 S C 0.709 175.379 174.600 0.116 0.000 1.006 281 S CA 0.047 58.209 58.200 -0.063 0.000 0.934 281 S CB -0.884 61.881 63.200 -0.725 0.000 0.778 281 S HN 0.308 nan 8.310 nan 0.000 0.517 282 F N 2.531 122.438 119.950 -0.072 0.000 3.027 282 F HA -0.180 4.350 4.527 0.005 0.000 0.276 282 F C 0.642 176.442 175.800 -0.001 0.000 0.967 282 F CA 0.800 58.789 58.000 -0.018 0.000 0.929 282 F CB -2.444 36.567 39.000 0.019 0.000 0.873 282 F HN 0.532 nan 8.300 nan 0.000 0.787 283 T N -2.915 111.656 114.554 0.029 0.000 2.930 283 T HA 0.686 5.039 4.350 0.005 0.000 0.290 283 T C -0.636 174.091 174.700 0.046 0.000 1.052 283 T CA -1.016 61.108 62.100 0.039 0.000 1.017 283 T CB 2.529 71.391 68.868 -0.010 0.000 1.137 283 T HN 0.123 nan 8.240 nan 0.000 0.511 284 N N 1.539 120.257 118.700 0.030 0.000 2.491 284 N HA 0.263 5.006 4.740 0.005 0.000 0.274 284 N C -1.105 174.375 175.510 -0.050 0.000 1.023 284 N CA -0.450 52.633 53.050 0.055 0.000 0.902 284 N CB 1.385 39.892 38.487 0.034 0.000 1.267 284 N HN 0.529 nan 8.380 nan 0.000 0.503 285 Q N 3.091 122.794 119.800 -0.160 0.000 2.230 285 Q HA 0.383 4.726 4.340 0.005 0.000 0.253 285 Q C -1.669 174.058 176.000 -0.454 0.000 0.919 285 Q CA -1.660 53.874 55.803 -0.447 0.000 0.908 285 Q CB 1.607 29.828 28.738 -0.862 0.000 1.245 285 Q HN 0.419 nan 8.270 nan 0.000 0.437 286 P HA -0.083 nan 4.420 nan 0.000 0.220 286 P C 0.155 177.053 177.300 -0.670 0.000 1.148 286 P CA 1.062 63.890 63.100 -0.453 0.000 0.803 286 P CB 0.483 31.974 31.700 -0.348 0.000 0.782 287 S N -2.324 112.798 115.700 -0.963 0.000 2.541 287 S HA 0.425 4.898 4.470 0.005 0.000 0.271 287 S C -1.078 173.126 174.600 -0.660 0.000 1.133 287 S CA -0.548 57.183 58.200 -0.782 0.000 0.876 287 S CB 0.508 63.151 63.200 -0.928 0.000 1.105 287 S HN -0.141 nan 8.310 nan 0.000 0.470 288 Y N 2.231 122.462 120.300 -0.115 0.000 2.720 288 Y HA 0.292 4.845 4.550 0.005 0.000 0.277 288 Y C 1.273 177.349 175.900 0.293 0.000 1.144 288 Y CA -0.292 57.880 58.100 0.120 0.000 1.221 288 Y CB 0.387 38.913 38.460 0.109 0.000 1.163 288 Y HN 0.693 nan 8.280 nan 0.000 0.537 289 S N -0.381 115.437 115.700 0.196 0.000 2.572 289 S HA -0.011 4.463 4.470 0.005 0.000 0.279 289 S C 1.242 175.816 174.600 -0.043 0.000 1.341 289 S CA -0.591 57.705 58.200 0.160 0.000 1.043 289 S CB 1.121 64.361 63.200 0.067 0.000 0.887 289 S HN 0.436 nan 8.310 nan 0.000 0.516 290 L N 1.612 122.630 121.223 -0.342 0.000 2.079 290 L HA -0.102 4.241 4.340 0.005 0.000 0.210 290 L C 2.138 178.735 176.870 -0.454 0.000 1.081 290 L CA 2.034 56.353 54.840 -0.869 0.000 0.752 290 L CB -1.138 40.415 42.059 -0.844 0.000 0.896 290 L HN 0.978 nan 8.230 nan 0.000 0.433 291 D N -1.686 118.578 120.400 -0.226 0.000 2.104 291 D HA -0.295 4.348 4.640 0.005 0.000 0.194 291 D C 2.034 178.275 176.300 -0.099 0.000 0.994 291 D CA 1.609 55.524 54.000 -0.142 0.000 0.830 291 D CB -0.083 40.685 40.800 -0.053 0.000 0.959 291 D HN 0.496 nan 8.370 nan 0.000 0.452 292 Y N 1.104 121.314 120.300 -0.150 0.000 2.145 292 Y HA -0.195 4.358 4.550 0.006 0.000 0.286 292 Y C 2.336 178.164 175.900 -0.121 0.000 1.145 292 Y CA 1.228 59.261 58.100 -0.112 0.000 1.148 292 Y CB -0.091 38.297 38.460 -0.119 0.000 0.981 292 Y HN -0.017 nan 8.280 nan 0.000 0.507 293 I N -0.186 120.354 120.570 -0.049 0.000 2.315 293 I HA -0.246 3.927 4.170 0.005 0.000 0.248 293 I C 2.582 178.615 176.117 -0.140 0.000 1.117 293 I CA 1.756 62.967 61.300 -0.148 0.000 1.404 293 I CB -1.766 35.986 38.000 -0.413 0.000 1.071 293 I HN 0.355 nan 8.210 nan 0.000 0.419 294 S N 0.492 116.046 115.700 -0.244 0.000 2.368 294 S HA -0.176 4.298 4.470 0.005 0.000 0.225 294 S C 1.814 176.332 174.600 -0.137 0.000 1.030 294 S CA 0.964 59.042 58.200 -0.204 0.000 0.999 294 S CB -0.578 62.470 63.200 -0.253 0.000 0.844 294 S HN 0.471 nan 8.310 nan 0.000 0.459 295 E N 0.349 120.458 120.200 -0.150 0.000 2.058 295 E HA -0.109 4.244 4.350 0.005 0.000 0.194 295 E C 1.773 178.304 176.600 -0.115 0.000 0.997 295 E CA 1.404 57.713 56.400 -0.152 0.000 0.801 295 E CB -0.288 29.283 29.700 -0.215 0.000 0.746 295 E HN 0.659 nan 8.360 nan 0.000 0.450 296 F N 1.830 121.639 119.950 -0.236 0.000 2.102 296 F HA -0.175 4.356 4.527 0.006 0.000 0.298 296 F C 2.199 177.968 175.800 -0.051 0.000 1.105 296 F CA 1.308 59.221 58.000 -0.146 0.000 1.239 296 F CB 0.239 39.177 39.000 -0.103 0.000 0.991 296 F HN -0.105 nan 8.300 nan 0.000 0.474 297 E N 0.112 120.380 120.200 0.114 0.000 2.122 297 E HA 0.005 4.358 4.350 0.005 0.000 0.190 297 E C 2.054 178.627 176.600 -0.046 0.000 0.977 297 E CA 1.113 57.557 56.400 0.073 0.000 0.820 297 E CB -0.029 29.778 29.700 0.179 0.000 0.770 297 E HN 0.470 nan 8.360 nan 0.000 0.462 298 L N -0.082 121.101 121.223 -0.066 0.000 2.781 298 L HA 0.206 4.549 4.340 0.005 0.000 0.245 298 L C 0.370 177.198 176.870 -0.070 0.000 1.118 298 L CA -0.254 54.549 54.840 -0.061 0.000 0.918 298 L CB 0.113 42.118 42.059 -0.091 0.000 1.246 298 L HN -0.015 nan 8.230 nan 0.000 0.526 299 N N 1.378 120.018 118.700 -0.100 0.000 2.727 299 N HA -0.158 4.585 4.740 0.005 0.000 0.249 299 N C -0.422 175.034 175.510 -0.090 0.000 1.048 299 N CA 0.815 53.804 53.050 -0.101 0.000 0.714 299 N CB -1.100 37.334 38.487 -0.089 0.000 0.959 299 N HN 0.275 nan 8.380 nan 0.000 0.544 300 V N -2.155 117.700 119.914 -0.098 0.000 2.617 300 V HA 0.910 5.033 4.120 0.005 0.000 0.298 300 V C 1.477 177.514 176.094 -0.095 0.000 1.048 300 V CA -0.362 61.883 62.300 -0.093 0.000 0.964 300 V CB 1.546 33.307 31.823 -0.104 0.000 1.004 300 V HN 0.277 nan 8.190 nan 0.000 0.466 301 G N 1.884 110.636 108.800 -0.079 0.000 2.491 301 G HA2 0.231 4.195 3.960 0.005 0.000 0.242 301 G HA3 0.231 4.195 3.960 0.005 0.000 0.242 301 G C -0.067 174.779 174.900 -0.089 0.000 1.266 301 G CA -0.509 44.548 45.100 -0.071 0.000 0.844 301 G HN 1.090 nan 8.290 nan 0.000 0.571 302 K N 1.507 121.861 120.400 -0.078 0.000 2.448 302 K HA 0.054 4.377 4.320 0.005 0.000 0.278 302 K C 0.222 176.766 176.600 -0.093 0.000 1.009 302 K CA -0.250 55.988 56.287 -0.081 0.000 0.995 302 K CB 0.202 32.673 32.500 -0.048 0.000 0.917 302 K HN 0.314 nan 8.250 nan 0.000 0.481 303 L N 5.437 126.564 121.223 -0.160 0.000 2.407 303 L HA 0.094 4.437 4.340 0.005 0.000 0.282 303 L C 0.551 177.432 176.870 0.018 0.000 1.110 303 L CA 0.144 54.805 54.840 -0.299 0.000 0.863 303 L CB 0.257 41.888 42.059 -0.713 0.000 1.207 303 L HN 0.568 nan 8.230 nan 0.000 0.454 304 K N 4.591 125.107 120.400 0.193 0.000 2.172 304 K HA 0.433 4.756 4.320 0.005 0.000 0.276 304 K C -1.282 175.583 176.600 0.441 0.000 1.013 304 K CA -0.441 55.971 56.287 0.208 0.000 0.913 304 K CB 1.051 33.619 32.500 0.113 0.000 1.055 304 K HN 0.414 nan 8.250 nan 0.000 0.461 305 Y N -0.486 119.940 120.300 0.210 0.000 2.609 305 Y HA 0.381 4.935 4.550 0.005 0.000 0.336 305 Y C -1.259 174.701 175.900 0.100 0.000 1.129 305 Y CA -1.462 56.727 58.100 0.147 0.000 1.040 305 Y CB 0.920 39.475 38.460 0.158 0.000 1.310 305 Y HN 0.366 nan 8.280 nan 0.000 0.460 306 D N 1.236 121.769 120.400 0.222 0.000 2.255 306 D HA 0.500 5.143 4.640 0.005 0.000 0.249 306 D C 0.585 177.006 176.300 0.201 0.000 1.078 306 D CA 1.460 55.537 54.000 0.130 0.000 0.896 306 D CB 1.480 42.337 40.800 0.095 0.000 1.194 306 D HN 1.164 nan 8.370 nan 0.000 0.429 307 G N 2.240 111.115 108.800 0.125 0.000 2.855 307 G HA2 -0.147 3.816 3.960 0.005 0.000 0.352 307 G HA3 -0.147 3.816 3.960 0.005 0.000 0.352 307 G C -2.569 172.465 174.900 0.223 0.000 1.415 307 G CA -1.002 44.182 45.100 0.140 0.000 0.871 307 G HN 0.467 nan 8.290 nan 0.000 0.543 308 P HA 0.302 nan 4.420 nan 0.000 0.274 308 P C 1.197 178.655 177.300 0.264 0.000 1.237 308 P CA -0.679 62.551 63.100 0.217 0.000 0.793 308 P CB 0.819 32.591 31.700 0.120 0.000 0.977 309 I N 1.618 122.355 120.570 0.278 0.000 2.567 309 I HA -0.191 3.982 4.170 0.005 0.000 0.257 309 I C 1.881 178.041 176.117 0.073 0.000 1.184 309 I CA 1.808 63.190 61.300 0.136 0.000 1.451 309 I CB -0.714 37.364 38.000 0.130 0.000 1.089 309 I HN 0.385 nan 8.210 nan 0.000 0.441 310 S N -0.172 115.556 115.700 0.046 0.000 2.474 310 S HA -0.092 4.381 4.470 0.005 0.000 0.235 310 S C 1.620 176.185 174.600 -0.057 0.000 0.997 310 S CA 0.550 58.729 58.200 -0.036 0.000 0.949 310 S CB -0.172 62.992 63.200 -0.060 0.000 0.766 310 S HN 0.470 nan 8.310 nan 0.000 0.517 311 K N -0.270 120.125 120.400 -0.010 0.000 2.402 311 K HA 0.355 4.678 4.320 0.005 0.000 0.204 311 K C 1.159 177.742 176.600 -0.028 0.000 1.056 311 K CA -0.163 56.111 56.287 -0.020 0.000 1.069 311 K CB 0.159 32.667 32.500 0.014 0.000 0.888 311 K HN 0.161 nan 8.250 nan 0.000 0.546 312 L N 1.980 123.186 121.223 -0.029 0.000 2.056 312 L HA -0.073 4.270 4.340 0.005 0.000 0.207 312 L C 2.335 179.110 176.870 -0.158 0.000 1.078 312 L CA 1.744 56.562 54.840 -0.036 0.000 0.749 312 L CB -0.317 41.719 42.059 -0.038 0.000 0.901 312 L HN 0.075 nan 8.230 nan 0.000 0.433 313 R N -0.511 119.688 120.500 -0.503 0.000 2.073 313 R HA -0.221 4.122 4.340 0.005 0.000 0.234 313 R C 2.338 178.505 176.300 -0.221 0.000 1.134 313 R CA 1.891 57.555 56.100 -0.727 0.000 0.952 313 R CB -0.349 29.287 30.300 -1.107 0.000 0.850 313 R HN 0.588 nan 8.270 nan 0.000 0.433 314 E N -0.046 120.062 120.200 -0.153 0.000 2.077 314 E HA -0.171 4.182 4.350 0.005 0.000 0.193 314 E C 1.758 178.345 176.600 -0.022 0.000 0.989 314 E CA 1.724 58.089 56.400 -0.060 0.000 0.800 314 E CB 0.017 29.695 29.700 -0.036 0.000 0.746 314 E HN 0.488 nan 8.360 nan 0.000 0.452 315 S N -0.334 115.355 115.700 -0.017 0.000 2.406 315 S HA -0.021 4.452 4.470 0.005 0.000 0.224 315 S C 1.136 175.750 174.600 0.024 0.000 1.030 315 S CA 0.419 58.626 58.200 0.011 0.000 0.958 315 S CB 0.252 63.467 63.200 0.025 0.000 0.811 315 S HN 0.107 nan 8.310 nan 0.000 0.489 316 N N 0.485 119.199 118.700 0.023 0.000 2.716 316 N HA 0.139 4.882 4.740 0.005 0.000 0.245 316 N C 0.159 175.710 175.510 0.067 0.000 1.495 316 N CA -0.270 52.803 53.050 0.038 0.000 0.759 316 N CB 0.060 38.556 38.487 0.015 0.000 1.261 316 N HN 0.470 nan 8.380 nan 0.000 0.515 317 H N 0.574 119.650 119.070 0.011 0.000 2.387 317 H HA -0.166 4.394 4.556 0.005 0.000 0.299 317 H C 1.277 176.714 175.328 0.183 0.000 1.099 317 H CA 2.008 58.100 56.048 0.073 0.000 1.315 317 H CB 0.664 30.461 29.762 0.059 0.000 1.380 317 H HN 0.443 nan 8.280 nan 0.000 0.513 318 Q N 1.380 121.229 119.800 0.081 0.000 2.014 318 Q HA -0.212 4.131 4.340 0.005 0.000 0.207 318 Q C 2.659 178.693 176.000 0.057 0.000 0.993 318 Q CA 2.434 58.289 55.803 0.088 0.000 0.850 318 Q CB -0.410 28.345 28.738 0.028 0.000 0.916 318 Q HN 0.428 nan 8.270 nan 0.000 0.417 319 R N -1.447 119.012 120.500 -0.069 0.000 2.081 319 R HA -0.185 4.159 4.340 0.005 0.000 0.235 319 R C 2.246 178.346 176.300 -0.332 0.000 1.131 319 R CA 1.459 57.380 56.100 -0.299 0.000 0.960 319 R CB -0.694 29.375 30.300 -0.385 0.000 0.856 319 R HN 0.455 nan 8.270 nan 0.000 0.436 320 Y N 0.769 120.895 120.300 -0.290 0.000 2.081 320 Y HA -0.288 4.265 4.550 0.005 0.000 0.280 320 Y C 1.852 177.645 175.900 -0.178 0.000 1.163 320 Y CA 1.922 59.890 58.100 -0.220 0.000 1.135 320 Y CB -0.107 38.269 38.460 -0.140 0.000 0.970 320 Y HN 0.059 nan 8.280 nan 0.000 0.498 321 I N -0.989 119.494 120.570 -0.146 0.000 2.286 321 I HA -0.247 3.926 4.170 0.005 0.000 0.245 321 I C 2.474 178.398 176.117 -0.322 0.000 1.104 321 I CA 1.478 62.588 61.300 -0.317 0.000 1.397 321 I CB -1.610 36.073 38.000 -0.529 0.000 1.072 321 I HN 0.167 nan 8.210 nan 0.000 0.417 322 S N -0.045 115.586 115.700 -0.115 0.000 2.383 322 S HA -0.186 4.287 4.470 0.005 0.000 0.229 322 S C 2.056 176.755 174.600 0.165 0.000 1.030 322 S CA 1.271 59.522 58.200 0.084 0.000 1.002 322 S CB -0.399 62.953 63.200 0.253 0.000 0.829 322 S HN 0.435 nan 8.310 nan 0.000 0.467 323 Y N 1.568 121.816 120.300 -0.087 0.000 2.314 323 Y HA -0.075 4.478 4.550 0.005 0.000 0.293 323 Y C 2.758 178.578 175.900 -0.134 0.000 1.129 323 Y CA 0.488 58.532 58.100 -0.094 0.000 1.201 323 Y CB -0.224 38.176 38.460 -0.100 0.000 0.999 323 Y HN 0.382 nan 8.280 nan 0.000 0.541 324 N N 1.175 119.848 118.700 -0.045 0.000 2.120 324 N HA -0.204 4.540 4.740 0.005 0.000 0.188 324 N C 1.693 177.192 175.510 -0.018 0.000 1.024 324 N CA 1.319 54.316 53.050 -0.087 0.000 0.852 324 N CB -0.169 38.216 38.487 -0.169 0.000 1.003 324 N HN 0.304 nan 8.380 nan 0.000 0.424 325 I N 1.009 121.545 120.570 -0.057 0.000 2.179 325 I HA -0.252 3.921 4.170 0.005 0.000 0.242 325 I C 2.247 178.358 176.117 -0.010 0.000 1.088 325 I CA 0.913 62.182 61.300 -0.051 0.000 1.357 325 I CB -0.213 37.668 38.000 -0.197 0.000 1.051 325 I HN 0.149 nan 8.210 nan 0.000 0.409 326 I N 0.828 121.400 120.570 0.004 0.000 2.208 326 I HA -0.310 3.863 4.170 0.005 0.000 0.245 326 I C 2.801 178.934 176.117 0.027 0.000 1.097 326 I CA 1.351 62.669 61.300 0.030 0.000 1.363 326 I CB -0.485 37.520 38.000 0.009 0.000 1.051 326 I HN 0.200 nan 8.210 nan 0.000 0.413 327 A N 0.353 123.170 122.820 -0.005 0.000 1.908 327 A HA -0.177 4.146 4.320 0.005 0.000 0.218 327 A C 2.432 180.039 177.584 0.039 0.000 1.181 327 A CA 1.964 53.985 52.037 -0.026 0.000 0.627 327 A CB -0.978 18.003 19.000 -0.030 0.000 0.818 327 A HN 0.261 nan 8.150 nan 0.000 0.445 328 V N -1.604 118.390 119.914 0.134 0.000 2.358 328 V HA -0.241 3.882 4.120 0.005 0.000 0.246 328 V C 2.357 178.619 176.094 0.280 0.000 1.047 328 V CA 2.000 64.444 62.300 0.239 0.000 1.035 328 V CB -0.968 31.086 31.823 0.384 0.000 0.658 328 V HN 0.696 nan 8.190 nan 0.000 0.452 329 Y N 1.419 121.802 120.300 0.139 0.000 2.224 329 Y HA -0.165 4.389 4.550 0.005 0.000 0.289 329 Y C 2.658 178.544 175.900 -0.022 0.000 1.146 329 Y CA 1.346 59.499 58.100 0.088 0.000 1.182 329 Y CB -0.304 38.128 38.460 -0.047 0.000 0.983 329 Y HN 0.083 nan 8.280 nan 0.000 0.524 330 R N -0.179 120.245 120.500 -0.128 0.000 2.096 330 R HA -0.149 4.194 4.340 0.005 0.000 0.240 330 R C 2.396 178.529 176.300 -0.278 0.000 1.139 330 R CA 1.517 57.459 56.100 -0.263 0.000 0.952 330 R CB -1.466 28.697 30.300 -0.229 0.000 0.854 330 R HN 0.338 nan 8.270 nan 0.000 0.436 331 V N 1.589 121.388 119.914 -0.193 0.000 2.343 331 V HA -0.207 3.916 4.120 0.005 0.000 0.247 331 V C 2.517 178.436 176.094 -0.292 0.000 1.051 331 V CA 1.516 63.681 62.300 -0.224 0.000 1.036 331 V CB -0.502 31.294 31.823 -0.045 0.000 0.654 331 V HN 0.190 nan 8.190 nan 0.000 0.451 332 L N -0.632 120.475 121.223 -0.193 0.000 2.083 332 L HA -0.243 4.100 4.340 0.005 0.000 0.209 332 L C 2.684 179.411 176.870 -0.238 0.000 1.083 332 L CA 1.657 56.386 54.840 -0.184 0.000 0.752 332 L CB -0.594 41.382 42.059 -0.139 0.000 0.899 332 L HN 0.373 nan 8.230 nan 0.000 0.433 333 Q N -0.103 119.472 119.800 -0.375 0.000 2.079 333 Q HA -0.173 4.170 4.340 0.005 0.000 0.200 333 Q C 2.353 178.220 176.000 -0.221 0.000 0.974 333 Q CA 1.393 56.986 55.803 -0.350 0.000 0.840 333 Q CB -0.095 28.347 28.738 -0.494 0.000 0.898 333 Q HN 0.523 nan 8.270 nan 0.000 0.430 334 I N 0.776 121.204 120.570 -0.235 0.000 2.208 334 I HA -0.282 3.891 4.170 0.005 0.000 0.245 334 I C 1.972 178.003 176.117 -0.144 0.000 1.097 334 I CA 1.394 62.602 61.300 -0.154 0.000 1.363 334 I CB -0.206 37.711 38.000 -0.138 0.000 1.051 334 I HN 0.201 nan 8.210 nan 0.000 0.413 335 D N 0.728 120.985 120.400 -0.238 0.000 2.178 335 D HA -0.128 4.516 4.640 0.005 0.000 0.202 335 D C 2.173 178.438 176.300 -0.058 0.000 0.974 335 D CA 1.214 55.167 54.000 -0.078 0.000 0.841 335 D CB 0.095 40.881 40.800 -0.023 0.000 0.953 335 D HN 0.293 nan 8.370 nan 0.000 0.478 336 A N 0.431 123.204 122.820 -0.078 0.000 1.940 336 A HA -0.217 4.106 4.320 0.005 0.000 0.219 336 A C 2.106 179.645 177.584 -0.075 0.000 1.176 336 A CA 1.734 53.739 52.037 -0.054 0.000 0.631 336 A CB -0.548 18.427 19.000 -0.041 0.000 0.814 336 A HN 0.252 nan 8.150 nan 0.000 0.446 337 K N -1.331 119.011 120.400 -0.097 0.000 2.005 337 K HA -0.053 4.270 4.320 0.005 0.000 0.206 337 K C 2.214 178.720 176.600 -0.157 0.000 1.044 337 K CA 0.684 56.901 56.287 -0.116 0.000 0.942 337 K CB -0.135 32.309 32.500 -0.093 0.000 0.727 337 K HN 0.207 nan 8.250 nan 0.000 0.439 338 R N 0.588 120.952 120.500 -0.227 0.000 2.119 338 R HA 0.030 4.373 4.340 0.005 0.000 0.222 338 R C 0.398 176.380 176.300 -0.531 0.000 1.088 338 R CA 0.757 56.557 56.100 -0.500 0.000 0.984 338 R CB -0.285 29.445 30.300 -0.950 0.000 0.884 338 R HN 0.416 nan 8.270 nan 0.000 0.447 339 Q N -0.670 118.958 119.800 -0.287 0.000 2.478 339 Q HA -0.169 4.174 4.340 0.005 0.000 0.286 339 Q C 0.049 176.050 176.000 0.000 0.000 1.299 339 Q CA 0.302 56.044 55.803 -0.102 0.000 0.826 339 Q CB -1.625 27.061 28.738 -0.087 0.000 1.199 339 Q HN 0.175 nan 8.270 nan 0.000 0.451 340 F N -0.651 119.382 119.950 0.139 0.000 2.325 340 F HA -0.076 4.454 4.527 0.006 0.000 0.299 340 F C 2.112 177.892 175.800 -0.033 0.000 1.090 340 F CA 0.415 58.411 58.000 -0.006 0.000 1.392 340 F CB -0.169 38.822 39.000 -0.017 0.000 1.053 340 F HN 0.263 nan 8.300 nan 0.000 0.521 341 I N 0.113 120.843 120.570 0.266 0.000 2.202 341 I HA -0.270 3.903 4.170 0.005 0.000 0.242 341 I C 1.982 178.148 176.117 0.083 0.000 1.091 341 I CA 1.193 62.600 61.300 0.179 0.000 1.368 341 I CB -1.396 36.746 38.000 0.238 0.000 1.058 341 I HN 0.097 nan 8.210 nan 0.000 0.410 342 N N 1.177 119.919 118.700 0.070 0.000 2.061 342 N HA -0.217 4.526 4.740 0.005 0.000 0.193 342 N C 1.782 177.294 175.510 0.002 0.000 1.030 342 N CA 1.115 54.190 53.050 0.041 0.000 0.856 342 N CB -0.571 37.914 38.487 -0.003 0.000 1.023 342 N HN 0.233 nan 8.380 nan 0.000 0.424 343 L N 0.480 121.666 121.223 -0.061 0.000 2.012 343 L HA -0.111 4.232 4.340 0.005 0.000 0.210 343 L C 1.939 178.676 176.870 -0.221 0.000 1.073 343 L CA 1.684 56.413 54.840 -0.184 0.000 0.748 343 L CB -0.849 41.024 42.059 -0.311 0.000 0.891 343 L HN 0.051 nan 8.230 nan 0.000 0.431 344 S N -0.402 115.179 115.700 -0.199 0.000 2.368 344 S HA -0.138 4.335 4.470 0.005 0.000 0.225 344 S C 1.921 176.414 174.600 -0.178 0.000 1.030 344 S CA 1.687 59.770 58.200 -0.196 0.000 0.999 344 S CB -0.490 62.624 63.200 -0.144 0.000 0.844 344 S HN 0.456 nan 8.310 nan 0.000 0.459 345 L N 1.293 122.432 121.223 -0.140 0.000 2.017 345 L HA -0.149 4.194 4.340 0.005 0.000 0.208 345 L C 2.275 179.042 176.870 -0.173 0.000 1.073 345 L CA 1.169 55.864 54.840 -0.240 0.000 0.745 345 L CB -0.760 41.171 42.059 -0.213 0.000 0.894 345 L HN 0.172 nan 8.230 nan 0.000 0.432 346 D N 0.039 120.453 120.400 0.024 0.000 2.106 346 D HA -0.234 4.410 4.640 0.005 0.000 0.191 346 D C 2.308 178.644 176.300 0.060 0.000 0.997 346 D CA 1.663 55.746 54.000 0.138 0.000 0.834 346 D CB -0.180 40.656 40.800 0.060 0.000 0.956 346 D HN 0.252 nan 8.370 nan 0.000 0.448 347 M N -0.018 119.546 119.600 -0.060 0.000 2.086 347 M HA -0.052 4.431 4.480 0.005 0.000 0.261 347 M C 2.372 178.655 176.300 -0.028 0.000 1.067 347 M CA 1.763 57.021 55.300 -0.071 0.000 1.116 347 M CB -0.526 31.984 32.600 -0.151 0.000 1.348 347 M HN 0.050 nan 8.290 nan 0.000 0.407 348 G N -0.652 108.074 108.800 -0.123 0.000 2.446 348 G HA2 -0.228 3.735 3.960 0.005 0.000 0.217 348 G HA3 -0.228 3.735 3.960 0.005 0.000 0.217 348 G C 1.124 175.946 174.900 -0.130 0.000 1.168 348 G CA 0.857 45.848 45.100 -0.181 0.000 0.771 348 G HN 0.348 nan 8.290 nan 0.000 0.551 349 Y N -0.913 119.355 120.300 -0.054 0.000 2.314 349 Y HA 0.003 4.556 4.550 0.005 0.000 0.293 349 Y C 2.424 178.372 175.900 0.080 0.000 1.129 349 Y CA 0.562 58.642 58.100 -0.033 0.000 1.201 349 Y CB -0.669 37.674 38.460 -0.194 0.000 0.999 349 Y HN 0.313 nan 8.280 nan 0.000 0.541 350 Y N 0.138 120.509 120.300 0.119 0.000 2.181 350 Y HA -0.228 4.325 4.550 0.006 0.000 0.288 350 Y C 2.390 178.308 175.900 0.030 0.000 1.146 350 Y CA 1.550 59.689 58.100 0.066 0.000 1.164 350 Y CB -0.445 38.024 38.460 0.015 0.000 0.982 350 Y HN 0.024 nan 8.280 nan 0.000 0.515 351 A N -0.236 122.626 122.820 0.070 0.000 2.072 351 A HA 0.031 4.355 4.320 0.005 0.000 0.216 351 A C 0.929 178.519 177.584 0.009 0.000 1.156 351 A CA 0.761 52.787 52.037 -0.018 0.000 0.701 351 A CB -0.375 18.618 19.000 -0.011 0.000 0.816 351 A HN 0.441 nan 8.150 nan 0.000 0.458 352 K N -0.587 119.858 120.400 0.074 0.000 3.372 352 K HA -0.150 4.173 4.320 0.005 0.000 0.272 352 K C -0.395 176.216 176.600 0.018 0.000 1.037 352 K CA 0.905 57.258 56.287 0.110 0.000 0.777 352 K CB -2.095 30.444 32.500 0.066 0.000 1.347 352 K HN 0.815 nan 8.250 nan 0.000 0.460 353 I N -3.443 117.143 120.570 0.027 0.000 3.108 353 I HA 0.322 4.495 4.170 0.005 0.000 0.312 353 I C 0.144 176.245 176.117 -0.026 0.000 1.095 353 I CA -1.498 59.788 61.300 -0.024 0.000 1.000 353 I CB 1.414 39.410 38.000 -0.008 0.000 1.229 353 I HN -0.009 nan 8.210 nan 0.000 0.454 354 Q N 1.855 121.632 119.800 -0.038 0.000 2.286 354 Q HA 0.099 4.442 4.340 0.005 0.000 0.290 354 Q C 0.887 176.872 176.000 -0.025 0.000 1.049 354 Q CA -0.256 55.545 55.803 -0.004 0.000 0.923 354 Q CB 1.121 29.848 28.738 -0.019 0.000 1.183 354 Q HN 0.525 nan 8.270 nan 0.000 0.383 355 I N 2.540 123.082 120.570 -0.047 0.000 2.248 355 I HA -0.322 3.851 4.170 0.005 0.000 0.248 355 I C 2.468 178.536 176.117 -0.081 0.000 1.107 355 I CA 1.593 62.818 61.300 -0.126 0.000 1.373 355 I CB -1.279 36.619 38.000 -0.169 0.000 1.055 355 I HN 0.772 nan 8.210 nan 0.000 0.418 356 Q N 0.367 120.161 119.800 -0.010 0.000 2.364 356 Q HA -0.108 4.235 4.340 0.005 0.000 0.209 356 Q C 1.740 177.794 176.000 0.090 0.000 0.977 356 Q CA 1.325 57.170 55.803 0.071 0.000 0.885 356 Q CB -0.807 28.000 28.738 0.115 0.000 0.941 356 Q HN 0.346 nan 8.270 nan 0.000 0.464 357 S N 1.429 117.138 115.700 0.016 0.000 2.555 357 S HA -0.038 4.435 4.470 0.005 0.000 0.230 357 S C 1.936 176.533 174.600 -0.006 0.000 0.978 357 S CA 0.785 58.998 58.200 0.021 0.000 0.934 357 S CB -0.294 62.906 63.200 0.000 0.000 0.766 357 S HN 0.517 nan 8.310 nan 0.000 0.533 358 V N -1.255 118.604 119.914 -0.092 0.000 2.688 358 V HA -0.123 4.001 4.120 0.005 0.000 0.256 358 V C 1.626 177.645 176.094 -0.125 0.000 1.084 358 V CA 1.506 63.729 62.300 -0.127 0.000 1.103 358 V CB -1.287 30.429 31.823 -0.179 0.000 0.688 358 V HN 0.371 nan 8.190 nan 0.000 0.480 359 F N 1.435 121.368 119.950 -0.028 0.000 2.365 359 F HA 0.151 4.682 4.527 0.005 0.000 0.300 359 F C 1.850 177.595 175.800 -0.091 0.000 1.090 359 F CA 1.321 59.251 58.000 -0.116 0.000 1.408 359 F CB -0.338 38.573 39.000 -0.149 0.000 1.060 359 F HN 0.274 nan 8.300 nan 0.000 0.534 360 S N 1.659 117.424 115.700 0.109 0.000 2.532 360 S HA 0.261 4.734 4.470 0.005 0.000 0.318 360 S C -1.501 173.145 174.600 0.078 0.000 1.083 360 S CA -1.756 56.488 58.200 0.073 0.000 1.131 360 S CB 0.808 64.041 63.200 0.055 0.000 0.973 360 S HN -0.168 nan 8.310 nan 0.000 0.468 361 P HA -0.066 nan 4.420 nan 0.000 0.220 361 P C 1.447 178.884 177.300 0.228 0.000 1.148 361 P CA 0.858 64.052 63.100 0.157 0.000 0.803 361 P CB 0.113 31.936 31.700 0.205 0.000 0.782 362 I N 0.004 120.676 120.570 0.170 0.000 2.179 362 I HA -0.254 3.919 4.170 0.005 0.000 0.242 362 I C 2.635 178.951 176.117 0.331 0.000 1.088 362 I CA 1.588 63.034 61.300 0.243 0.000 1.357 362 I CB -0.455 37.692 38.000 0.246 0.000 1.051 362 I HN -0.095 nan 8.210 nan 0.000 0.409 363 K N 0.790 121.310 120.400 0.200 0.000 2.057 363 K HA -0.133 4.190 4.320 0.005 0.000 0.207 363 K C 1.973 178.663 176.600 0.150 0.000 1.049 363 K CA 1.979 58.359 56.287 0.155 0.000 0.931 363 K CB -0.620 31.925 32.500 0.074 0.000 0.714 363 K HN 0.207 nan 8.250 nan 0.000 0.440 364 T N -0.506 114.104 114.554 0.092 0.000 2.708 364 T HA -0.148 4.205 4.350 0.005 0.000 0.266 364 T C 1.541 176.238 174.700 -0.005 0.000 1.037 364 T CA 1.806 63.891 62.100 -0.025 0.000 1.146 364 T CB -0.466 68.304 68.868 -0.163 0.000 0.865 364 T HN 0.402 nan 8.240 nan 0.000 0.435 365 W N 1.210 122.638 121.300 0.213 0.000 2.436 365 W HA 0.005 4.668 4.660 0.005 0.000 0.284 365 W C 2.300 179.058 176.519 0.398 0.000 1.225 365 W CA 0.349 57.866 57.345 0.287 0.000 1.271 365 W CB -0.273 29.338 29.460 0.252 0.000 1.114 365 W HN 0.264 nan 8.180 nan 0.000 0.559 366 D N 0.113 120.897 120.400 0.640 0.000 2.104 366 D HA -0.209 4.434 4.640 0.005 0.000 0.194 366 D C 2.194 178.734 176.300 0.401 0.000 0.994 366 D CA 2.122 56.422 54.000 0.500 0.000 0.830 366 D CB -0.373 40.625 40.800 0.331 0.000 0.959 366 D HN 0.012 nan 8.370 nan 0.000 0.452 367 A N 0.017 123.022 122.820 0.308 0.000 1.873 367 A HA -0.093 4.231 4.320 0.005 0.000 0.215 367 A C 2.474 180.214 177.584 0.261 0.000 1.186 367 A CA 1.169 53.383 52.037 0.295 0.000 0.616 367 A CB -0.784 18.321 19.000 0.175 0.000 0.823 367 A HN 0.349 nan 8.150 nan 0.000 0.442 368 I N -0.327 120.360 120.570 0.194 0.000 2.163 368 I HA -0.285 3.888 4.170 0.005 0.000 0.243 368 I C 2.311 178.549 176.117 0.202 0.000 1.085 368 I CA 1.528 62.908 61.300 0.133 0.000 1.347 368 I CB -0.322 37.748 38.000 0.117 0.000 1.044 368 I HN 0.307 nan 8.210 nan 0.000 0.408 369 I N -0.006 120.762 120.570 0.330 0.000 2.252 369 I HA -0.307 3.866 4.170 0.005 0.000 0.245 369 I C 2.500 178.752 176.117 0.225 0.000 1.102 369 I CA 1.449 62.900 61.300 0.252 0.000 1.385 369 I CB -0.382 37.756 38.000 0.231 0.000 1.064 369 I HN 0.191 nan 8.210 nan 0.000 0.414 370 F N 2.008 122.058 119.950 0.167 0.000 2.069 370 F HA -0.282 4.248 4.527 0.005 0.000 0.298 370 F C 2.416 178.269 175.800 0.087 0.000 1.113 370 F CA 1.763 59.841 58.000 0.129 0.000 1.214 370 F CB -0.349 38.728 39.000 0.129 0.000 0.978 370 F HN 0.052 nan 8.300 nan 0.000 0.474 371 N N 0.120 118.599 118.700 -0.368 0.000 2.120 371 N HA -0.213 4.530 4.740 0.005 0.000 0.188 371 N C 2.122 177.479 175.510 -0.256 0.000 1.024 371 N CA 1.487 54.254 53.050 -0.472 0.000 0.852 371 N CB -0.496 37.843 38.487 -0.246 0.000 1.003 371 N HN 0.374 nan 8.380 nan 0.000 0.424 372 S N 0.942 116.575 115.700 -0.112 0.000 2.356 372 S HA 0.009 4.482 4.470 0.005 0.000 0.223 372 S C 2.111 176.681 174.600 -0.050 0.000 1.032 372 S CA 0.709 58.878 58.200 -0.051 0.000 1.005 372 S CB -0.140 63.068 63.200 0.012 0.000 0.867 372 S HN 0.204 nan 8.310 nan 0.000 0.449 373 L N 1.066 122.267 121.223 -0.037 0.000 2.109 373 L HA -0.015 4.328 4.340 0.005 0.000 0.207 373 L C 2.641 179.496 176.870 -0.025 0.000 1.086 373 L CA 1.416 56.250 54.840 -0.010 0.000 0.760 373 L CB -0.471 41.613 42.059 0.041 0.000 0.910 373 L HN 0.326 nan 8.230 nan 0.000 0.437 374 K N 0.175 120.510 120.400 -0.109 0.000 2.103 374 K HA -0.216 4.107 4.320 0.005 0.000 0.207 374 K C 1.950 178.527 176.600 -0.039 0.000 1.048 374 K CA 1.274 57.500 56.287 -0.101 0.000 0.930 374 K CB 0.098 32.395 32.500 -0.338 0.000 0.716 374 K HN 0.171 nan 8.250 nan 0.000 0.444 375 E N 0.425 120.587 120.200 -0.063 0.000 2.204 375 E HA -0.156 4.197 4.350 0.005 0.000 0.195 375 E C 1.317 177.920 176.600 0.005 0.000 0.990 375 E CA 0.945 57.330 56.400 -0.025 0.000 0.821 375 E CB 0.132 29.813 29.700 -0.031 0.000 0.750 375 E HN 0.434 nan 8.360 nan 0.000 0.477 376 Q N 0.127 119.933 119.800 0.011 0.000 2.220 376 Q HA 0.111 4.454 4.340 0.005 0.000 0.205 376 Q C -0.105 175.928 176.000 0.055 0.000 0.865 376 Q CA -0.257 55.561 55.803 0.024 0.000 0.960 376 Q CB 0.297 29.044 28.738 0.015 0.000 1.097 376 Q HN 0.129 nan 8.270 nan 0.000 0.493 377 N N 0.989 119.734 118.700 0.075 0.000 2.708 377 N HA -0.171 4.573 4.740 0.005 0.000 0.251 377 N C -0.624 174.988 175.510 0.171 0.000 1.123 377 N CA 0.941 54.076 53.050 0.142 0.000 0.739 377 N CB -0.872 37.645 38.487 0.050 0.000 1.113 377 N HN 0.371 nan 8.380 nan 0.000 0.561 378 K N 0.086 120.546 120.400 0.101 0.000 2.098 378 K HA 0.555 4.878 4.320 0.005 0.000 0.257 378 K C 0.166 176.758 176.600 -0.014 0.000 0.999 378 K CA -0.458 55.874 56.287 0.076 0.000 0.924 378 K CB 1.518 34.051 32.500 0.056 0.000 1.028 378 K HN -0.163 nan 8.250 nan 0.000 0.466 379 V N 4.032 123.903 119.914 -0.072 0.000 2.448 379 V HA 0.282 4.405 4.120 0.005 0.000 0.295 379 V C 0.088 176.158 176.094 -0.039 0.000 1.025 379 V CA -0.983 61.179 62.300 -0.230 0.000 0.859 379 V CB 1.162 32.675 31.823 -0.517 0.000 0.988 379 V HN 0.655 nan 8.190 nan 0.000 0.431 380 I N 4.328 124.924 120.570 0.044 0.000 2.696 380 I HA 0.496 4.669 4.170 0.005 0.000 0.284 380 I C -2.105 174.054 176.117 0.069 0.000 1.129 380 I CA -1.656 59.718 61.300 0.124 0.000 1.410 380 I CB 1.115 39.237 38.000 0.204 0.000 1.399 380 I HN 0.378 nan 8.210 nan 0.000 0.579 381 P HA 0.063 nan 4.420 nan 0.000 0.274 381 P C -1.132 176.158 177.300 -0.017 0.000 1.246 381 P CA -0.296 62.841 63.100 0.061 0.000 0.795 381 P CB 0.691 32.460 31.700 0.114 0.000 1.006 382 Q N 0.334 120.138 119.800 0.007 0.000 2.352 382 Q HA 0.348 4.692 4.340 0.005 0.000 0.260 382 Q C 0.470 176.433 176.000 -0.063 0.000 0.976 382 Q CA -0.377 55.410 55.803 -0.026 0.000 0.881 382 Q CB 0.243 28.974 28.738 -0.011 0.000 1.235 382 Q HN 0.603 nan 8.270 nan 0.000 0.419 383 G N 3.337 112.087 108.800 -0.084 0.000 2.441 383 G HA2 0.227 4.190 3.960 0.005 0.000 0.243 383 G HA3 0.227 4.190 3.960 0.005 0.000 0.243 383 G C -0.663 174.197 174.900 -0.067 0.000 1.281 383 G CA -0.307 44.748 45.100 -0.074 0.000 0.854 383 G HN 0.640 nan 8.290 nan 0.000 0.560 384 R N 0.399 120.845 120.500 -0.089 0.000 2.854 384 R HA 0.516 4.859 4.340 0.005 0.000 0.271 384 R C -0.253 175.758 176.300 -0.482 0.000 0.994 384 R CA -0.719 55.233 56.100 -0.248 0.000 0.945 384 R CB 1.993 32.133 30.300 -0.268 0.000 1.194 384 R HN 0.552 nan 8.270 nan 0.000 0.476 385 S N 0.973 116.379 115.700 -0.489 0.000 2.528 385 S HA 0.220 4.693 4.470 0.005 0.000 0.277 385 S C -0.880 173.268 174.600 -0.755 0.000 1.297 385 S CA -0.343 57.551 58.200 -0.509 0.000 1.052 385 S CB 0.233 63.257 63.200 -0.294 0.000 0.917 385 S HN 0.435 nan 8.310 nan 0.000 0.492 386 H N 3.901 122.753 119.070 -0.363 0.000 2.771 386 H HA 0.405 4.964 4.556 0.005 0.000 0.361 386 H C -2.523 172.599 175.328 -0.342 0.000 1.108 386 H CA -1.663 54.193 56.048 -0.321 0.000 1.201 386 H CB 1.430 30.917 29.762 -0.459 0.000 1.681 386 H HN 0.519 nan 8.280 nan 0.000 0.534 387 P HA 0.058 nan 4.420 nan 0.000 0.275 387 P C 0.125 177.378 177.300 -0.078 0.000 1.227 387 P CA -0.467 62.580 63.100 -0.088 0.000 0.781 387 P CB 1.138 32.820 31.700 -0.031 0.000 0.906 388 V N 4.029 123.889 119.914 -0.090 0.000 2.529 388 V HA 0.007 4.130 4.120 0.005 0.000 0.292 388 V C 0.764 176.881 176.094 0.037 0.000 1.028 388 V CA 0.623 62.899 62.300 -0.040 0.000 1.074 388 V CB -0.526 31.276 31.823 -0.034 0.000 0.958 388 V HN 0.548 nan 8.190 nan 0.000 0.481 389 Q N 5.147 125.011 119.800 0.107 0.000 2.347 389 Q HA 0.453 4.796 4.340 0.005 0.000 0.271 389 Q C -2.591 173.518 176.000 0.183 0.000 1.064 389 Q CA -1.799 54.081 55.803 0.129 0.000 0.800 389 Q CB 2.628 31.447 28.738 0.136 0.000 1.304 389 Q HN 0.527 nan 8.270 nan 0.000 0.438 390 P HA 0.100 nan 4.420 nan 0.000 0.272 390 P C -1.537 175.888 177.300 0.208 0.000 1.223 390 P CA 0.044 63.216 63.100 0.119 0.000 0.784 390 P CB 0.239 31.976 31.700 0.061 0.000 0.923 391 Y N -0.318 120.020 120.300 0.062 0.000 2.597 391 Y HA 0.723 5.276 4.550 0.005 0.000 0.340 391 Y C -2.871 173.077 175.900 0.080 0.000 1.097 391 Y CA -2.853 55.283 58.100 0.059 0.000 1.037 391 Y CB -0.068 38.419 38.460 0.045 0.000 1.305 391 Y HN 0.232 nan 8.280 nan 0.000 0.463 392 P HA 0.472 nan 4.420 nan 0.000 0.274 392 P C -0.331 177.038 177.300 0.114 0.000 1.231 392 P CA 0.064 63.224 63.100 0.100 0.000 0.790 392 P CB 1.842 33.623 31.700 0.135 0.000 0.951 393 G N 0.057 108.908 108.800 0.085 0.000 3.341 393 G HA2 0.601 4.564 3.960 0.005 0.000 0.177 393 G HA3 0.601 4.564 3.960 0.005 0.000 0.177 393 G C -0.629 174.382 174.900 0.185 0.000 1.236 393 G CA -0.167 45.019 45.100 0.143 0.000 0.888 393 G HN 0.730 nan 8.290 nan 0.000 0.644 394 A N -0.873 122.064 122.820 0.195 0.000 2.287 394 A HA 0.625 4.949 4.320 0.005 0.000 0.273 394 A C -0.979 176.734 177.584 0.216 0.000 1.091 394 A CA -0.410 51.759 52.037 0.220 0.000 0.817 394 A CB 0.514 19.627 19.000 0.187 0.000 1.069 394 A HN 0.721 nan 8.150 nan 0.000 0.492 395 F N 1.166 121.169 119.950 0.088 0.000 2.404 395 F HA 0.569 5.099 4.527 0.005 0.000 0.339 395 F C -0.521 175.303 175.800 0.039 0.000 1.105 395 F CA -0.440 57.599 58.000 0.065 0.000 1.087 395 F CB 1.381 40.419 39.000 0.063 0.000 1.143 395 F HN 0.255 nan 8.300 nan 0.000 0.491 396 V N 6.425 125.842 119.914 -0.829 0.000 2.483 396 V HA 0.277 4.401 4.120 0.005 0.000 0.297 396 V C -0.367 175.115 176.094 -1.020 0.000 1.027 396 V CA -1.238 60.661 62.300 -0.668 0.000 0.855 396 V CB 1.472 33.148 31.823 -0.245 0.000 0.995 396 V HN 0.742 nan 8.190 nan 0.000 0.424 397 K N 2.821 122.776 120.400 -0.742 0.000 2.298 397 K HA 0.246 4.570 4.320 0.005 0.000 0.280 397 K C 0.009 176.568 176.600 -0.068 0.000 1.032 397 K CA -0.376 55.702 56.287 -0.349 0.000 0.958 397 K CB 0.868 33.336 32.500 -0.054 0.000 0.978 397 K HN 0.747 nan 8.250 nan 0.000 0.472 398 E N 6.040 126.246 120.200 0.010 0.000 2.166 398 E HA 0.124 4.477 4.350 0.005 0.000 0.279 398 E C -2.218 174.451 176.600 0.116 0.000 1.095 398 E CA -1.825 54.629 56.400 0.090 0.000 0.888 398 E CB 0.607 30.351 29.700 0.073 0.000 1.041 398 E HN 0.306 nan 8.360 nan 0.000 0.414 399 P HA 0.211 nan 4.420 nan 0.000 0.281 399 P C -0.435 176.914 177.300 0.082 0.000 1.249 399 P CA -0.377 62.747 63.100 0.040 0.000 0.810 399 P CB 0.838 32.449 31.700 -0.149 0.000 1.008 400 I N 3.548 124.176 120.570 0.097 0.000 2.436 400 I HA 0.104 4.277 4.170 0.005 0.000 0.289 400 I C -1.890 174.358 176.117 0.218 0.000 1.083 400 I CA -1.903 59.481 61.300 0.141 0.000 1.372 400 I CB 0.041 38.120 38.000 0.132 0.000 1.408 400 I HN 0.132 nan 8.210 nan 0.000 0.516 401 P HA 0.107 nan 4.420 nan 0.000 0.262 401 P C -0.645 176.758 177.300 0.171 0.000 1.199 401 P CA 0.279 63.515 63.100 0.226 0.000 0.763 401 P CB 0.433 32.227 31.700 0.157 0.000 0.790 402 N N 1.454 120.287 118.700 0.223 0.000 3.545 402 N HA 0.134 4.877 4.740 0.005 0.000 0.227 402 N C -1.291 174.229 175.510 0.016 0.000 1.380 402 N CA -0.902 52.129 53.050 -0.032 0.000 0.892 402 N CB 1.354 39.623 38.487 -0.364 0.000 1.441 402 N HN 0.241 nan 8.380 nan 0.000 0.497 403 R N 0.515 120.957 120.500 -0.096 0.000 2.539 403 R HA 0.442 4.785 4.340 0.005 0.000 0.275 403 R C -1.011 175.131 176.300 -0.263 0.000 1.077 403 R CA 0.096 56.203 56.100 0.012 0.000 1.097 403 R CB 0.327 30.628 30.300 0.002 0.000 1.018 403 R HN 0.472 nan 8.270 nan 0.000 0.483 404 Y N 0.875 121.297 120.300 0.203 0.000 2.322 404 Y HA 0.230 4.783 4.550 0.005 0.000 0.324 404 Y C 0.809 176.776 175.900 0.111 0.000 1.027 404 Y CA -0.867 57.331 58.100 0.162 0.000 1.179 404 Y CB 2.109 40.706 38.460 0.227 0.000 1.136 404 Y HN 0.726 nan 8.280 nan 0.000 0.449 405 K N 2.356 122.826 120.400 0.117 0.000 1.980 405 K HA 0.019 4.342 4.320 0.005 0.000 0.208 405 K C -0.651 175.785 176.600 -0.272 0.000 1.043 405 K CA 1.299 57.510 56.287 -0.127 0.000 0.938 405 K CB 0.123 32.490 32.500 -0.222 0.000 0.724 405 K HN 0.612 nan 8.250 nan 0.000 0.438 406 Y N 0.271 120.626 120.300 0.092 0.000 2.335 406 Y HA 0.393 4.946 4.550 0.005 0.000 0.338 406 Y C -0.852 175.162 175.900 0.191 0.000 0.977 406 Y CA -1.070 57.072 58.100 0.071 0.000 1.114 406 Y CB 2.043 40.452 38.460 -0.085 0.000 1.182 406 Y HN -0.266 nan 8.280 nan 0.000 0.463 407 V N 5.215 125.365 119.914 0.393 0.000 2.638 407 V HA 0.457 4.580 4.120 0.005 0.000 0.306 407 V C -0.480 175.817 176.094 0.338 0.000 1.052 407 V CA -1.026 61.496 62.300 0.370 0.000 0.885 407 V CB 1.923 34.005 31.823 0.431 0.000 0.999 407 V HN 0.746 nan 8.190 nan 0.000 0.424 408 M N 4.082 123.850 119.600 0.282 0.000 2.243 408 M HA 0.565 5.048 4.480 0.005 0.000 0.324 408 M C -0.156 176.165 176.300 0.036 0.000 1.031 408 M CA -0.366 55.020 55.300 0.144 0.000 0.949 408 M CB 2.125 34.843 32.600 0.198 0.000 1.615 408 M HN 0.717 nan 8.290 nan 0.000 0.430 409 S N 2.103 117.669 115.700 -0.224 0.000 2.593 409 S HA 0.879 5.353 4.470 0.005 0.000 0.297 409 S C -0.968 173.293 174.600 -0.565 0.000 1.112 409 S CA -0.621 57.333 58.200 -0.409 0.000 1.043 409 S CB 1.288 64.045 63.200 -0.739 0.000 1.054 409 S HN 0.488 nan 8.310 nan 0.000 0.516 410 F N 0.257 120.103 119.950 -0.173 0.000 2.576 410 F HA 0.634 5.165 4.527 0.006 0.000 0.313 410 F C -0.318 175.458 175.800 -0.040 0.000 1.078 410 F CA -0.655 57.313 58.000 -0.053 0.000 0.921 410 F CB 2.365 41.368 39.000 0.005 0.000 1.232 410 F HN 0.806 nan 8.300 nan 0.000 0.459 411 D N 1.674 122.180 120.400 0.177 0.000 2.934 411 D HA 0.506 5.149 4.640 0.005 0.000 0.230 411 D C -1.559 174.821 176.300 0.133 0.000 1.204 411 D CA -0.339 53.734 54.000 0.121 0.000 0.873 411 D CB 1.560 42.398 40.800 0.063 0.000 1.645 411 D HN 0.450 nan 8.370 nan 0.000 0.502 412 L N 2.751 124.038 121.223 0.107 0.000 2.367 412 L HA 0.309 4.652 4.340 0.005 0.000 0.275 412 L C 0.515 177.406 176.870 0.034 0.000 1.129 412 L CA -0.120 54.751 54.840 0.052 0.000 0.839 412 L CB 1.126 43.175 42.059 -0.017 0.000 1.133 412 L HN 0.470 nan 8.230 nan 0.000 0.453 413 T N 2.079 116.662 114.554 0.048 0.000 2.853 413 T HA -0.008 4.346 4.350 0.005 0.000 0.298 413 T C 0.650 175.346 174.700 -0.006 0.000 0.978 413 T CA -0.211 61.936 62.100 0.078 0.000 1.152 413 T CB 0.428 69.408 68.868 0.186 0.000 0.914 413 T HN 0.736 nan 8.240 nan 0.000 0.539 414 S N 2.184 117.906 115.700 0.036 0.000 3.247 414 S HA -0.152 4.321 4.470 0.005 0.000 0.341 414 S C 1.229 175.760 174.600 -0.114 0.000 0.924 414 S CA -0.120 58.070 58.200 -0.017 0.000 1.323 414 S CB -1.134 62.081 63.200 0.024 0.000 0.918 414 S HN 0.672 nan 8.310 nan 0.000 0.523 415 L N 2.171 123.352 121.223 -0.070 0.000 1.956 415 L HA -0.141 4.202 4.340 0.005 0.000 0.216 415 L C 1.944 178.836 176.870 0.036 0.000 1.073 415 L CA 2.158 56.978 54.840 -0.033 0.000 0.762 415 L CB -0.630 41.455 42.059 0.044 0.000 0.889 415 L HN 0.613 nan 8.230 nan 0.000 0.433 416 Y N -0.229 119.950 120.300 -0.201 0.000 2.181 416 Y HA -0.075 4.478 4.550 0.005 0.000 0.288 416 Y C -0.146 175.603 175.900 -0.250 0.000 1.146 416 Y CA 0.795 58.739 58.100 -0.260 0.000 1.164 416 Y CB -2.455 35.790 38.460 -0.358 0.000 0.982 416 Y HN 0.322 nan 8.280 nan 0.000 0.515 417 P HA -0.089 nan 4.420 nan 0.000 0.217 417 P C 1.838 178.956 177.300 -0.304 0.000 1.150 417 P CA 2.102 65.102 63.100 -0.166 0.000 0.832 417 P CB 0.060 31.682 31.700 -0.130 0.000 0.787 418 S N -0.776 114.706 115.700 -0.363 0.000 2.383 418 S HA -0.096 4.377 4.470 0.005 0.000 0.227 418 S C 1.846 176.184 174.600 -0.438 0.000 1.026 418 S CA 0.984 58.909 58.200 -0.459 0.000 0.981 418 S CB -1.026 61.879 63.200 -0.491 0.000 0.818 418 S HN 0.123 nan 8.310 nan 0.000 0.472 419 I N 1.225 121.555 120.570 -0.400 0.000 2.179 419 I HA -0.185 3.988 4.170 0.005 0.000 0.242 419 I C 2.039 177.816 176.117 -0.567 0.000 1.088 419 I CA 1.171 62.134 61.300 -0.561 0.000 1.357 419 I CB -0.415 37.278 38.000 -0.511 0.000 1.051 419 I HN 0.238 nan 8.210 nan 0.000 0.409 420 I N 0.534 120.847 120.570 -0.428 0.000 2.151 420 I HA -0.334 3.839 4.170 0.005 0.000 0.243 420 I C 2.755 178.647 176.117 -0.375 0.000 1.080 420 I CA 1.640 62.706 61.300 -0.390 0.000 1.339 420 I CB -0.349 37.479 38.000 -0.286 0.000 1.039 420 I HN 0.173 nan 8.210 nan 0.000 0.409 421 R N 0.007 120.302 120.500 -0.341 0.000 2.062 421 R HA -0.193 4.150 4.340 0.005 0.000 0.229 421 R C 2.302 178.424 176.300 -0.296 0.000 1.128 421 R CA 1.438 57.368 56.100 -0.284 0.000 0.960 421 R CB -0.405 29.732 30.300 -0.271 0.000 0.855 421 R HN 0.425 nan 8.270 nan 0.000 0.432 422 Q N 0.799 120.377 119.800 -0.371 0.000 2.050 422 Q HA -0.129 4.214 4.340 0.005 0.000 0.202 422 Q C 1.784 177.583 176.000 -0.335 0.000 0.980 422 Q CA 1.769 57.363 55.803 -0.348 0.000 0.840 422 Q CB 0.148 28.638 28.738 -0.414 0.000 0.898 422 Q HN 0.167 nan 8.270 nan 0.000 0.424 423 V N 0.943 120.571 119.914 -0.477 0.000 2.951 423 V HA -0.061 4.062 4.120 0.005 0.000 0.255 423 V C 0.517 176.387 176.094 -0.374 0.000 1.088 423 V CA 0.903 62.936 62.300 -0.445 0.000 1.109 423 V CB -0.837 30.599 31.823 -0.645 0.000 0.724 423 V HN 0.708 nan 8.190 nan 0.000 0.471 424 N N -0.002 118.470 118.700 -0.379 0.000 2.806 424 N HA -0.189 4.555 4.740 0.005 0.000 0.248 424 N C -0.570 174.653 175.510 -0.477 0.000 1.081 424 N CA 0.241 53.111 53.050 -0.299 0.000 0.680 424 N CB -1.534 36.883 38.487 -0.116 0.000 0.941 424 N HN 0.536 nan 8.380 nan 0.000 0.554 425 I N 0.474 120.657 120.570 -0.644 0.000 2.337 425 I HA 0.326 4.499 4.170 0.005 0.000 0.291 425 I C 0.667 176.567 176.117 -0.361 0.000 1.046 425 I CA 0.033 60.848 61.300 -0.807 0.000 1.324 425 I CB 1.220 38.759 38.000 -0.767 0.000 1.409 425 I HN 0.259 nan 8.210 nan 0.000 0.494 426 S N 7.043 122.630 115.700 -0.188 0.000 2.552 426 S HA 0.419 4.892 4.470 0.005 0.000 0.272 426 S C -2.044 172.552 174.600 -0.006 0.000 1.150 426 S CA -1.000 57.138 58.200 -0.103 0.000 0.849 426 S CB 1.833 64.969 63.200 -0.107 0.000 1.113 426 S HN 0.321 nan 8.310 nan 0.000 0.458 427 P HA -0.142 nan 4.420 nan 0.000 0.216 427 P C 0.887 178.249 177.300 0.103 0.000 1.150 427 P CA 1.345 64.485 63.100 0.067 0.000 0.843 427 P CB 0.006 31.758 31.700 0.086 0.000 0.787 428 E N 0.151 120.345 120.200 -0.010 0.000 2.474 428 E HA -0.010 4.343 4.350 0.005 0.000 0.195 428 E C 0.884 177.554 176.600 0.117 0.000 1.039 428 E CA 0.813 57.218 56.400 0.009 0.000 0.881 428 E CB -0.972 28.632 29.700 -0.160 0.000 0.970 428 E HN 0.268 nan 8.360 nan 0.000 0.486 429 T N -1.188 113.396 114.554 0.051 0.000 3.069 429 T HA 0.329 4.682 4.350 0.005 0.000 0.252 429 T C 1.038 175.500 174.700 -0.397 0.000 1.053 429 T CA -0.470 61.614 62.100 -0.027 0.000 0.964 429 T CB -0.414 68.513 68.868 0.099 0.000 1.005 429 T HN 0.021 nan 8.240 nan 0.000 0.532 430 I N 2.188 122.578 120.570 -0.300 0.000 2.662 430 I HA 0.201 4.375 4.170 0.005 0.000 0.285 430 I C 1.477 177.085 176.117 -0.848 0.000 1.161 430 I CA -0.223 60.751 61.300 -0.543 0.000 1.415 430 I CB 0.747 38.562 38.000 -0.309 0.000 1.385 430 I HN 0.297 nan 8.210 nan 0.000 0.552 431 A N 4.989 127.217 122.820 -0.988 0.000 2.140 431 A HA 0.616 4.940 4.320 0.005 0.000 0.209 431 A C 0.990 178.204 177.584 -0.617 0.000 1.181 431 A CA 0.704 52.127 52.037 -1.023 0.000 0.824 431 A CB 0.164 18.274 19.000 -1.483 0.000 0.879 431 A HN 0.931 nan 8.150 nan 0.000 0.480 432 G N -1.613 106.883 108.800 -0.507 0.000 2.332 432 G HA2 0.437 4.400 3.960 0.005 0.000 0.265 432 G HA3 0.437 4.400 3.960 0.005 0.000 0.265 432 G C -0.435 174.312 174.900 -0.255 0.000 1.329 432 G CA 0.114 45.034 45.100 -0.299 0.000 0.949 432 G HN 1.064 nan 8.290 nan 0.000 0.476 433 T N -1.633 112.836 114.554 -0.142 0.000 2.916 433 T HA 0.848 5.201 4.350 0.005 0.000 0.292 433 T C -0.555 174.156 174.700 0.019 0.000 1.055 433 T CA -0.213 61.805 62.100 -0.137 0.000 1.009 433 T CB 2.102 70.860 68.868 -0.184 0.000 1.118 433 T HN 1.831 nan 8.240 nan 0.000 0.497 434 F N -1.087 118.830 119.950 -0.054 0.000 2.611 434 F HA 0.794 5.325 4.527 0.005 0.000 0.324 434 F C -0.264 175.540 175.800 0.008 0.000 1.061 434 F CA -1.661 56.333 58.000 -0.010 0.000 0.954 434 F CB 1.573 40.575 39.000 0.004 0.000 1.301 434 F HN 0.670 nan 8.300 nan 0.000 0.482 435 K N 2.127 122.658 120.400 0.219 0.000 2.349 435 K HA 0.436 4.759 4.320 0.005 0.000 0.289 435 K C -1.067 175.661 176.600 0.213 0.000 1.064 435 K CA -0.389 55.969 56.287 0.119 0.000 0.947 435 K CB 0.592 33.168 32.500 0.126 0.000 1.007 435 K HN 0.639 nan 8.250 nan 0.000 0.478 436 V N 3.707 123.649 119.914 0.046 0.000 2.583 436 V HA 0.320 4.443 4.120 0.005 0.000 0.287 436 V C 0.476 176.699 176.094 0.214 0.000 1.051 436 V CA -0.576 61.826 62.300 0.170 0.000 1.010 436 V CB 1.053 32.879 31.823 0.005 0.000 0.988 436 V HN 0.917 nan 8.190 nan 0.000 0.478 437 A N 6.331 129.324 122.820 0.289 0.000 2.281 437 A HA 0.842 5.165 4.320 0.005 0.000 0.329 437 A C -2.565 175.071 177.584 0.087 0.000 1.122 437 A CA -2.022 50.037 52.037 0.038 0.000 0.850 437 A CB 0.505 19.355 19.000 -0.249 0.000 1.207 437 A HN 0.690 nan 8.150 nan 0.000 0.495 438 P HA -0.011 nan 4.420 nan 0.000 0.264 438 P C 0.951 178.336 177.300 0.142 0.000 1.179 438 P CA -0.092 63.062 63.100 0.089 0.000 0.763 438 P CB 0.374 32.111 31.700 0.062 0.000 0.806 439 L N 4.027 125.375 121.223 0.208 0.000 2.081 439 L HA -0.240 4.104 4.340 0.005 0.000 0.212 439 L C 2.227 179.227 176.870 0.216 0.000 1.080 439 L CA 2.085 57.085 54.840 0.267 0.000 0.754 439 L CB -1.316 40.843 42.059 0.167 0.000 0.893 439 L HN 0.510 nan 8.230 nan 0.000 0.433 440 H N -0.791 118.313 119.070 0.056 0.000 2.390 440 H HA -0.202 4.357 4.556 0.005 0.000 0.298 440 H C 1.740 177.077 175.328 0.015 0.000 1.106 440 H CA 2.261 58.319 56.048 0.017 0.000 1.297 440 H CB -0.032 29.728 29.762 -0.002 0.000 1.375 440 H HN 0.440 nan 8.280 nan 0.000 0.509 441 D N -0.740 119.691 120.400 0.051 0.000 2.178 441 D HA -0.130 4.513 4.640 0.005 0.000 0.202 441 D C 1.673 177.931 176.300 -0.069 0.000 0.974 441 D CA 1.033 54.987 54.000 -0.077 0.000 0.841 441 D CB -0.313 40.384 40.800 -0.172 0.000 0.953 441 D HN 0.510 nan 8.370 nan 0.000 0.478 442 Y N 0.754 121.159 120.300 0.176 0.000 2.220 442 Y HA 0.041 4.595 4.550 0.005 0.000 0.291 442 Y C 2.398 178.525 175.900 0.378 0.000 1.129 442 Y CA 0.226 58.509 58.100 0.305 0.000 1.161 442 Y CB -0.527 38.018 38.460 0.141 0.000 0.997 442 Y HN -0.081 nan 8.280 nan 0.000 0.522 443 I N 0.320 121.080 120.570 0.317 0.000 2.194 443 I HA -0.351 3.822 4.170 0.005 0.000 0.246 443 I C 1.328 177.443 176.117 -0.003 0.000 1.093 443 I CA 1.565 62.984 61.300 0.198 0.000 1.355 443 I CB -0.315 37.673 38.000 -0.020 0.000 1.046 443 I HN 0.295 nan 8.210 nan 0.000 0.413 444 N N 0.756 119.380 118.700 -0.127 0.000 2.322 444 N HA 0.194 4.937 4.740 0.005 0.000 0.194 444 N C 0.812 176.210 175.510 -0.186 0.000 1.126 444 N CA 0.820 53.721 53.050 -0.248 0.000 0.845 444 N CB 0.648 38.944 38.487 -0.319 0.000 0.976 444 N HN 0.284 nan 8.380 nan 0.000 0.475 445 A N 0.274 123.087 122.820 -0.011 0.000 2.822 445 A HA -0.189 4.134 4.320 0.005 0.000 0.287 445 A C 1.305 178.825 177.584 -0.107 0.000 1.479 445 A CA 1.104 53.081 52.037 -0.101 0.000 0.779 445 A CB -2.202 16.620 19.000 -0.296 0.000 1.022 445 A HN 0.290 nan 8.150 nan 0.000 0.532 446 V N -4.336 115.567 119.914 -0.018 0.000 3.621 446 V HA 0.688 4.811 4.120 0.005 0.000 0.263 446 V C 1.166 177.265 176.094 0.008 0.000 1.272 446 V CA 0.796 63.082 62.300 -0.024 0.000 1.080 446 V CB -0.399 31.401 31.823 -0.039 0.000 0.816 446 V HN 2.004 nan 8.190 nan 0.000 0.451 447 A N 2.254 125.082 122.820 0.014 0.000 2.386 447 A HA 0.429 4.752 4.320 0.005 0.000 0.248 447 A C 0.577 178.244 177.584 0.138 0.000 1.082 447 A CA -0.020 51.980 52.037 -0.063 0.000 0.789 447 A CB -0.065 18.604 19.000 -0.553 0.000 1.025 447 A HN 0.784 nan 8.150 nan 0.000 0.490 448 E N 1.539 121.794 120.200 0.091 0.000 2.415 448 E HA 0.126 4.479 4.350 0.005 0.000 0.262 448 E C 0.071 176.770 176.600 0.165 0.000 1.038 448 E CA -0.488 55.989 56.400 0.128 0.000 0.921 448 E CB 0.492 30.239 29.700 0.077 0.000 0.950 448 E HN 0.553 nan 8.360 nan 0.000 0.438 449 R N 3.353 123.950 120.500 0.161 0.000 2.458 449 R HA 0.014 4.358 4.340 0.005 0.000 0.303 449 R C -1.656 174.563 176.300 -0.136 0.000 1.013 449 R CA -0.922 55.209 56.100 0.050 0.000 1.026 449 R CB 0.290 30.648 30.300 0.096 0.000 0.948 449 R HN 0.487 nan 8.270 nan 0.000 0.417 450 P HA -0.127 nan 4.420 nan 0.000 0.215 450 P C -0.324 176.691 177.300 -0.475 0.000 1.157 450 P CA 1.121 63.736 63.100 -0.808 0.000 0.874 450 P CB 0.276 31.002 31.700 -1.623 0.000 0.790 451 S N -2.289 113.227 115.700 -0.308 0.000 2.537 451 S HA 0.249 4.722 4.470 0.005 0.000 0.270 451 S C -0.673 173.866 174.600 -0.101 0.000 1.142 451 S CA -0.678 57.439 58.200 -0.138 0.000 0.870 451 S CB 0.852 64.021 63.200 -0.052 0.000 1.112 451 S HN -0.171 nan 8.310 nan 0.000 0.466 452 D N 2.601 122.949 120.400 -0.087 0.000 2.363 452 D HA 0.236 4.879 4.640 0.005 0.000 0.214 452 D C 1.047 177.266 176.300 -0.136 0.000 1.093 452 D CA 0.496 54.445 54.000 -0.085 0.000 0.837 452 D CB 0.877 41.641 40.800 -0.061 0.000 0.948 452 D HN 0.293 nan 8.370 nan 0.000 0.507 453 V N -0.527 119.255 119.914 -0.219 0.000 3.159 453 V HA 0.115 4.238 4.120 0.005 0.000 0.234 453 V C -0.084 175.740 176.094 -0.450 0.000 1.313 453 V CA 0.279 62.318 62.300 -0.435 0.000 1.271 453 V CB 0.468 31.839 31.823 -0.754 0.000 1.053 453 V HN -0.094 nan 8.190 nan 0.000 0.476 454 Y N 0.082 120.391 120.300 0.015 0.000 2.567 454 Y HA 0.673 5.226 4.550 0.005 0.000 0.333 454 Y C 0.525 176.433 175.900 0.013 0.000 1.106 454 Y CA -1.208 56.914 58.100 0.036 0.000 1.157 454 Y CB 1.392 39.872 38.460 0.033 0.000 1.277 454 Y HN -0.048 nan 8.280 nan 0.000 0.490 455 S N 0.713 116.558 115.700 0.241 0.000 2.499 455 S HA 0.587 5.060 4.470 0.005 0.000 0.279 455 S C -0.892 173.821 174.600 0.187 0.000 1.219 455 S CA -0.350 57.935 58.200 0.142 0.000 1.062 455 S CB -0.380 62.882 63.200 0.102 0.000 0.978 455 S HN 0.658 nan 8.310 nan 0.000 0.489 456 C N 3.566 122.929 119.300 0.106 0.000 2.614 456 C HA 0.873 5.336 4.460 0.005 0.000 0.320 456 C C 0.027 175.132 174.990 0.191 0.000 1.200 456 C CA -0.851 58.256 59.018 0.148 0.000 1.700 456 C CB 1.393 29.076 27.740 -0.094 0.000 2.275 456 C HN 0.966 nan 8.230 nan 0.000 0.492 457 S N 1.333 117.204 115.700 0.284 0.000 2.536 457 S HA 0.532 5.005 4.470 0.005 0.000 0.298 457 S C -2.301 172.391 174.600 0.155 0.000 1.083 457 S CA -1.089 57.270 58.200 0.265 0.000 0.995 457 S CB 1.715 65.045 63.200 0.216 0.000 1.058 457 S HN 0.634 nan 8.310 nan 0.000 0.488 458 P HA -0.049 nan 4.420 nan 0.000 0.244 458 P C 0.475 177.706 177.300 -0.115 0.000 1.211 458 P CA 0.591 63.535 63.100 -0.259 0.000 0.760 458 P CB -0.335 31.136 31.700 -0.381 0.000 0.961 459 N N -0.251 118.402 118.700 -0.077 0.000 2.398 459 N HA 0.001 4.744 4.740 0.005 0.000 0.188 459 N C 1.298 176.632 175.510 -0.294 0.000 1.122 459 N CA 0.915 53.896 53.050 -0.116 0.000 0.866 459 N CB -0.632 37.821 38.487 -0.057 0.000 0.970 459 N HN 0.186 nan 8.380 nan 0.000 0.462 460 G N -0.322 108.130 108.800 -0.579 0.000 2.179 460 G HA2 -0.190 3.773 3.960 0.005 0.000 0.220 460 G HA3 -0.190 3.773 3.960 0.005 0.000 0.220 460 G C -0.138 174.296 174.900 -0.777 0.000 0.990 460 G CA -0.038 44.309 45.100 -1.256 0.000 0.646 460 G HN 0.197 nan 8.290 nan 0.000 0.517 461 M N 0.915 120.338 119.600 -0.294 0.000 2.249 461 M HA 0.638 5.121 4.480 0.005 0.000 0.351 461 M C 0.608 176.834 176.300 -0.123 0.000 1.180 461 M CA 0.251 55.404 55.300 -0.245 0.000 1.127 461 M CB 0.952 33.428 32.600 -0.208 0.000 1.546 461 M HN 0.203 nan 8.290 nan 0.000 0.461 462 M N 2.704 122.070 119.600 -0.391 0.000 2.465 462 M HA 0.511 4.994 4.480 0.005 0.000 0.316 462 M C -1.591 174.255 176.300 -0.756 0.000 1.121 462 M CA -0.592 54.537 55.300 -0.285 0.000 0.934 462 M CB 2.070 34.614 32.600 -0.093 0.000 1.692 462 M HN 0.456 nan 8.290 nan 0.000 0.444 463 Y N -0.155 120.061 120.300 -0.140 0.000 2.512 463 Y HA 0.463 5.016 4.550 0.006 0.000 0.348 463 Y C -0.662 175.213 175.900 -0.042 0.000 0.990 463 Y CA -0.899 57.066 58.100 -0.225 0.000 1.033 463 Y CB 1.360 39.726 38.460 -0.156 0.000 1.259 463 Y HN 0.476 nan 8.280 nan 0.000 0.461 464 Y N 1.685 122.064 120.300 0.131 0.000 2.683 464 Y HA 0.020 4.574 4.550 0.005 0.000 0.340 464 Y C 1.035 177.037 175.900 0.169 0.000 1.245 464 Y CA 0.090 58.304 58.100 0.191 0.000 1.485 464 Y CB 0.710 39.234 38.460 0.107 0.000 1.328 464 Y HN 0.556 nan 8.280 nan 0.000 0.603 465 K N 0.826 121.429 120.400 0.338 0.000 2.402 465 K HA -0.030 4.293 4.320 0.005 0.000 0.204 465 K C 0.762 177.425 176.600 0.105 0.000 1.056 465 K CA 0.309 56.698 56.287 0.170 0.000 1.069 465 K CB 0.338 32.912 32.500 0.122 0.000 0.888 465 K HN 0.715 nan 8.250 nan 0.000 0.546 466 D N 1.841 122.305 120.400 0.105 0.000 2.183 466 D HA -0.112 4.531 4.640 0.005 0.000 0.203 466 D C 0.365 176.680 176.300 0.026 0.000 0.969 466 D CA 0.810 54.832 54.000 0.036 0.000 0.842 466 D CB 0.204 40.996 40.800 -0.012 0.000 0.957 466 D HN 0.100 nan 8.370 nan 0.000 0.484 467 R N -0.681 119.847 120.500 0.047 0.000 2.663 467 R HA 0.391 4.735 4.340 0.005 0.000 0.267 467 R C -1.489 174.836 176.300 0.041 0.000 1.038 467 R CA -0.807 55.312 56.100 0.030 0.000 0.886 467 R CB 0.206 30.512 30.300 0.010 0.000 1.249 467 R HN -0.349 nan 8.270 nan 0.000 0.463 468 D N 0.985 121.395 120.400 0.016 0.000 2.455 468 D HA 0.235 4.878 4.640 0.005 0.000 0.241 468 D C 0.514 176.813 176.300 -0.001 0.000 1.138 468 D CA 0.758 54.757 54.000 -0.001 0.000 0.877 468 D CB 0.970 41.763 40.800 -0.012 0.000 1.187 468 D HN 0.678 nan 8.370 nan 0.000 0.451 469 G N 0.421 109.210 108.800 -0.020 0.000 2.606 469 G HA2 0.139 4.103 3.960 0.005 0.000 0.252 469 G HA3 0.139 4.103 3.960 0.005 0.000 0.252 469 G C 1.218 176.084 174.900 -0.056 0.000 1.206 469 G CA -0.625 44.453 45.100 -0.036 0.000 0.861 469 G HN 0.371 nan 8.290 nan 0.000 0.561 470 V N 1.252 121.121 119.914 -0.076 0.000 2.407 470 V HA -0.157 3.966 4.120 0.005 0.000 0.248 470 V C 2.836 178.886 176.094 -0.073 0.000 1.055 470 V CA 2.129 64.387 62.300 -0.070 0.000 1.049 470 V CB -0.368 31.395 31.823 -0.100 0.000 0.662 470 V HN 0.458 nan 8.190 nan 0.000 0.455 471 V N 0.667 120.502 119.914 -0.132 0.000 2.261 471 V HA -0.128 3.995 4.120 0.005 0.000 0.246 471 V C 0.248 176.261 176.094 -0.135 0.000 1.047 471 V CA 2.761 64.968 62.300 -0.156 0.000 1.015 471 V CB -1.862 29.845 31.823 -0.194 0.000 0.642 471 V HN 0.508 nan 8.190 nan 0.000 0.446 472 P HA -0.119 nan 4.420 nan 0.000 0.215 472 P C 1.826 179.101 177.300 -0.043 0.000 1.153 472 P CA 1.742 64.774 63.100 -0.114 0.000 0.853 472 P CB -0.203 31.421 31.700 -0.128 0.000 0.788 473 T N -0.324 114.221 114.554 -0.015 0.000 2.708 473 T HA -0.136 4.217 4.350 0.005 0.000 0.266 473 T C 1.565 176.323 174.700 0.096 0.000 1.037 473 T CA 1.280 63.401 62.100 0.034 0.000 1.146 473 T CB -0.595 68.290 68.868 0.028 0.000 0.865 473 T HN 0.169 nan 8.240 nan 0.000 0.435 474 E N 0.560 120.835 120.200 0.124 0.000 2.158 474 E HA 0.124 4.477 4.350 0.005 0.000 0.191 474 E C 2.178 178.995 176.600 0.362 0.000 0.982 474 E CA 0.312 56.878 56.400 0.277 0.000 0.823 474 E CB -0.349 29.573 29.700 0.372 0.000 0.766 474 E HN 0.452 nan 8.360 nan 0.000 0.468 475 I N 1.148 121.816 120.570 0.164 0.000 2.394 475 I HA -0.229 3.944 4.170 0.005 0.000 0.251 475 I C 1.808 178.051 176.117 0.210 0.000 1.136 475 I CA 1.062 62.448 61.300 0.143 0.000 1.425 475 I CB 0.072 38.011 38.000 -0.101 0.000 1.079 475 I HN 0.044 nan 8.210 nan 0.000 0.425 476 T N 0.742 115.390 114.554 0.156 0.000 2.746 476 T HA -0.186 4.167 4.350 0.005 0.000 0.267 476 T C 1.823 176.670 174.700 0.244 0.000 1.039 476 T CA 1.308 63.523 62.100 0.192 0.000 1.142 476 T CB -0.103 68.835 68.868 0.116 0.000 0.866 476 T HN 0.345 nan 8.240 nan 0.000 0.444 477 K N 0.571 121.106 120.400 0.225 0.000 2.032 477 K HA -0.060 4.264 4.320 0.005 0.000 0.209 477 K C 2.308 179.003 176.600 0.159 0.000 1.048 477 K CA 1.133 57.545 56.287 0.209 0.000 0.927 477 K CB -0.417 32.254 32.500 0.285 0.000 0.712 477 K HN 0.163 nan 8.250 nan 0.000 0.441 478 V N 0.985 121.022 119.914 0.205 0.000 2.453 478 V HA -0.197 3.926 4.120 0.005 0.000 0.247 478 V C 1.941 178.111 176.094 0.127 0.000 1.048 478 V CA 1.368 63.728 62.300 0.101 0.000 1.049 478 V CB -0.538 31.395 31.823 0.183 0.000 0.672 478 V HN 0.220 nan 8.190 nan 0.000 0.457 479 F N 2.344 122.341 119.950 0.078 0.000 2.095 479 F HA -0.217 4.314 4.527 0.005 0.000 0.298 479 F C 2.251 178.062 175.800 0.018 0.000 1.104 479 F CA 1.993 60.019 58.000 0.043 0.000 1.232 479 F CB -0.486 38.533 39.000 0.032 0.000 0.987 479 F HN 0.182 nan 8.300 nan 0.000 0.475 480 N N 0.567 119.182 118.700 -0.143 0.000 2.166 480 N HA -0.191 4.552 4.740 0.005 0.000 0.186 480 N C 1.818 177.180 175.510 -0.247 0.000 1.019 480 N CA 1.670 54.573 53.050 -0.246 0.000 0.856 480 N CB -0.576 37.889 38.487 -0.037 0.000 0.993 480 N HN 0.553 nan 8.380 nan 0.000 0.426 481 Q N 0.167 119.880 119.800 -0.144 0.000 2.084 481 Q HA -0.056 4.287 4.340 0.005 0.000 0.202 481 Q C 2.143 178.090 176.000 -0.087 0.000 0.978 481 Q CA 0.837 56.577 55.803 -0.105 0.000 0.844 481 Q CB -0.052 28.649 28.738 -0.062 0.000 0.898 481 Q HN 0.250 nan 8.270 nan 0.000 0.426 482 R N 1.645 122.067 120.500 -0.129 0.000 2.081 482 R HA -0.165 4.178 4.340 0.005 0.000 0.235 482 R C 2.009 178.175 176.300 -0.224 0.000 1.131 482 R CA 1.601 57.632 56.100 -0.115 0.000 0.960 482 R CB -0.150 30.096 30.300 -0.091 0.000 0.856 482 R HN 0.126 nan 8.270 nan 0.000 0.436 483 K N 0.684 120.825 120.400 -0.431 0.000 2.063 483 K HA -0.209 4.114 4.320 0.005 0.000 0.208 483 K C 2.043 178.417 176.600 -0.377 0.000 1.048 483 K CA 1.936 57.961 56.287 -0.437 0.000 0.928 483 K CB -0.159 31.988 32.500 -0.588 0.000 0.713 483 K HN 0.270 nan 8.250 nan 0.000 0.442 484 E N -0.269 119.676 120.200 -0.425 0.000 2.058 484 E HA -0.247 4.106 4.350 0.005 0.000 0.194 484 E C 1.897 177.953 176.600 -0.907 0.000 0.997 484 E CA 1.318 57.337 56.400 -0.634 0.000 0.801 484 E CB -0.029 29.314 29.700 -0.596 0.000 0.746 484 E HN 0.486 nan 8.360 nan 0.000 0.450 485 H N 0.053 118.848 119.070 -0.459 0.000 2.423 485 H HA -0.046 4.513 4.556 0.005 0.000 0.297 485 H C 2.125 177.311 175.328 -0.237 0.000 1.075 485 H CA 1.317 57.187 56.048 -0.297 0.000 1.342 485 H CB -0.008 29.690 29.762 -0.107 0.000 1.395 485 H HN 0.167 nan 8.280 nan 0.000 0.530 486 K N 0.745 121.067 120.400 -0.131 0.000 2.097 486 K HA -0.094 4.229 4.320 0.005 0.000 0.206 486 K C 2.399 178.907 176.600 -0.153 0.000 1.049 486 K CA 1.039 57.259 56.287 -0.113 0.000 0.933 486 K CB -0.169 32.267 32.500 -0.106 0.000 0.717 486 K HN 0.233 nan 8.250 nan 0.000 0.442 487 G N 0.267 108.905 108.800 -0.269 0.000 2.446 487 G HA2 -0.263 3.700 3.960 0.005 0.000 0.217 487 G HA3 -0.263 3.700 3.960 0.005 0.000 0.217 487 G C 1.089 175.872 174.900 -0.195 0.000 1.168 487 G CA 1.025 45.964 45.100 -0.268 0.000 0.771 487 G HN 0.274 nan 8.290 nan 0.000 0.551 488 Y N -0.072 120.102 120.300 -0.210 0.000 2.181 488 Y HA -0.000 4.553 4.550 0.005 0.000 0.288 488 Y C 2.822 178.621 175.900 -0.168 0.000 1.146 488 Y CA 0.762 58.708 58.100 -0.258 0.000 1.164 488 Y CB -0.851 37.470 38.460 -0.232 0.000 0.982 488 Y HN 0.174 nan 8.280 nan 0.000 0.515 489 M N -0.612 119.009 119.600 0.036 0.000 2.086 489 M HA -0.202 4.282 4.480 0.005 0.000 0.261 489 M C 1.892 178.172 176.300 -0.033 0.000 1.067 489 M CA 1.815 57.114 55.300 -0.001 0.000 1.116 489 M CB -0.356 32.240 32.600 -0.007 0.000 1.348 489 M HN 0.300 nan 8.290 nan 0.000 0.407 490 L N -0.066 121.127 121.223 -0.049 0.000 2.093 490 L HA -0.124 4.219 4.340 0.005 0.000 0.208 490 L C 2.770 179.597 176.870 -0.070 0.000 1.085 490 L CA 0.991 55.797 54.840 -0.058 0.000 0.755 490 L CB -0.966 41.055 42.059 -0.064 0.000 0.904 490 L HN 0.386 nan 8.230 nan 0.000 0.435 491 A N 0.307 123.080 122.820 -0.078 0.000 1.883 491 A HA -0.225 4.098 4.320 0.005 0.000 0.217 491 A C 2.548 180.052 177.584 -0.133 0.000 1.186 491 A CA 1.926 53.902 52.037 -0.102 0.000 0.624 491 A CB -0.787 18.151 19.000 -0.103 0.000 0.822 491 A HN 0.398 nan 8.150 nan 0.000 0.444 492 A N -1.015 121.747 122.820 -0.097 0.000 1.902 492 A HA -0.237 4.087 4.320 0.005 0.000 0.217 492 A C 2.206 179.737 177.584 -0.088 0.000 1.181 492 A CA 1.887 53.875 52.037 -0.083 0.000 0.623 492 A CB -0.611 18.357 19.000 -0.052 0.000 0.818 492 A HN 0.683 nan 8.150 nan 0.000 0.443 493 Q N -0.525 119.235 119.800 -0.067 0.000 2.061 493 Q HA -0.208 4.135 4.340 0.005 0.000 0.204 493 Q C 2.345 178.318 176.000 -0.045 0.000 0.984 493 Q CA 1.725 57.504 55.803 -0.040 0.000 0.846 493 Q CB -0.113 28.612 28.738 -0.021 0.000 0.902 493 Q HN 0.679 nan 8.270 nan 0.000 0.421 494 R N -0.018 120.435 120.500 -0.078 0.000 2.081 494 R HA -0.090 4.253 4.340 0.005 0.000 0.235 494 R C 2.065 178.299 176.300 -0.110 0.000 1.131 494 R CA 1.322 57.371 56.100 -0.084 0.000 0.960 494 R CB -0.249 29.996 30.300 -0.092 0.000 0.856 494 R HN 0.334 nan 8.270 nan 0.000 0.436 495 N N 0.262 118.824 118.700 -0.229 0.000 2.120 495 N HA -0.117 4.626 4.740 0.005 0.000 0.188 495 N C 1.837 177.311 175.510 -0.060 0.000 1.024 495 N CA 1.545 54.348 53.050 -0.411 0.000 0.852 495 N CB -0.657 37.298 38.487 -0.887 0.000 1.003 495 N HN 0.334 nan 8.380 nan 0.000 0.424 496 G N 1.645 110.431 108.800 -0.025 0.000 2.440 496 G HA2 -0.235 3.729 3.960 0.005 0.000 0.218 496 G HA3 -0.235 3.729 3.960 0.005 0.000 0.218 496 G C 1.427 176.362 174.900 0.057 0.000 1.154 496 G CA 0.652 45.771 45.100 0.031 0.000 0.767 496 G HN 0.246 nan 8.290 nan 0.000 0.552 497 E N 0.484 120.714 120.200 0.050 0.000 2.110 497 E HA -0.051 4.302 4.350 0.005 0.000 0.193 497 E C 2.584 179.233 176.600 0.082 0.000 0.988 497 E CA 0.377 56.821 56.400 0.074 0.000 0.804 497 E CB -0.245 29.502 29.700 0.079 0.000 0.745 497 E HN 0.548 nan 8.360 nan 0.000 0.458 498 I N 0.756 121.384 120.570 0.097 0.000 2.208 498 I HA -0.277 3.896 4.170 0.005 0.000 0.245 498 I C 2.352 178.556 176.117 0.144 0.000 1.097 498 I CA 1.027 62.413 61.300 0.143 0.000 1.363 498 I CB -0.271 37.870 38.000 0.234 0.000 1.051 498 I HN 0.036 nan 8.210 nan 0.000 0.413 499 I N 0.526 121.199 120.570 0.171 0.000 2.252 499 I HA -0.274 3.899 4.170 0.005 0.000 0.245 499 I C 2.448 178.583 176.117 0.030 0.000 1.102 499 I CA 1.409 62.787 61.300 0.130 0.000 1.385 499 I CB -0.387 37.719 38.000 0.176 0.000 1.064 499 I HN 0.121 nan 8.210 nan 0.000 0.414 500 K N 0.527 120.931 120.400 0.007 0.000 2.103 500 K HA -0.183 4.141 4.320 0.005 0.000 0.207 500 K C 2.059 178.516 176.600 -0.238 0.000 1.048 500 K CA 1.234 57.468 56.287 -0.087 0.000 0.930 500 K CB -0.125 32.356 32.500 -0.032 0.000 0.716 500 K HN 0.310 nan 8.250 nan 0.000 0.444 501 E N 0.564 120.715 120.200 -0.082 0.000 2.072 501 E HA -0.160 4.193 4.350 0.005 0.000 0.191 501 E C 2.115 178.701 176.600 -0.023 0.000 0.985 501 E CA 1.161 57.558 56.400 -0.005 0.000 0.801 501 E CB -0.172 29.601 29.700 0.121 0.000 0.750 501 E HN 0.315 nan 8.360 nan 0.000 0.452 502 A N 1.275 124.093 122.820 -0.003 0.000 1.972 502 A HA -0.112 4.211 4.320 0.005 0.000 0.219 502 A C 2.274 179.847 177.584 -0.018 0.000 1.169 502 A CA 0.836 52.883 52.037 0.017 0.000 0.635 502 A CB -0.645 18.374 19.000 0.033 0.000 0.810 502 A HN 0.162 nan 8.150 nan 0.000 0.446 503 L N -0.760 120.403 121.223 -0.100 0.000 2.456 503 L HA -0.134 4.209 4.340 0.005 0.000 0.224 503 L C 2.129 178.948 176.870 -0.084 0.000 1.148 503 L CA 0.466 55.245 54.840 -0.101 0.000 0.825 503 L CB -0.469 41.515 42.059 -0.125 0.000 0.937 503 L HN 0.462 nan 8.230 nan 0.000 0.450 504 H N -0.442 118.651 119.070 0.039 0.000 2.462 504 H HA 0.069 4.628 4.556 0.004 0.000 0.292 504 H C 0.605 175.951 175.328 0.030 0.000 1.049 504 H CA 0.758 56.827 56.048 0.035 0.000 1.334 504 H CB 0.120 29.905 29.762 0.039 0.000 1.404 504 H HN 0.329 nan 8.280 nan 0.000 0.544 505 N N 1.500 120.278 118.700 0.129 0.000 2.765 505 N HA 0.135 4.878 4.740 0.005 0.000 0.277 505 N C -2.747 172.792 175.510 0.049 0.000 1.750 505 N CA -0.902 52.197 53.050 0.082 0.000 0.827 505 N CB 2.097 40.631 38.487 0.078 0.000 1.200 505 N HN 0.206 nan 8.380 nan 0.000 0.494 506 P HA 0.205 nan 4.420 nan 0.000 0.279 506 P C -0.450 176.863 177.300 0.022 0.000 1.239 506 P CA -0.262 62.853 63.100 0.025 0.000 0.789 506 P CB 0.963 32.675 31.700 0.019 0.000 0.933 507 N N 1.398 120.107 118.700 0.016 0.000 2.529 507 N HA 0.203 4.947 4.740 0.005 0.000 0.278 507 N C -0.141 175.375 175.510 0.011 0.000 1.146 507 N CA -0.265 52.793 53.050 0.013 0.000 0.980 507 N CB 0.072 38.564 38.487 0.009 0.000 1.124 507 N HN 0.339 nan 8.380 nan 0.000 0.458 508 L N 1.994 123.223 121.223 0.010 0.000 2.404 508 L HA 0.258 4.602 4.340 0.005 0.000 0.277 508 L C -0.025 176.848 176.870 0.006 0.000 1.184 508 L CA -0.153 54.692 54.840 0.008 0.000 1.013 508 L CB -1.038 41.026 42.059 0.009 0.000 1.318 508 L HN 0.656 nan 8.230 nan 0.000 0.435 509 S N 0.963 116.665 115.700 0.004 0.000 2.615 509 S HA 0.674 5.147 4.470 0.005 0.000 0.269 509 S C -0.910 173.691 174.600 0.002 0.000 1.161 509 S CA -0.930 57.272 58.200 0.003 0.000 0.817 509 S CB 2.081 65.282 63.200 0.002 0.000 1.131 509 S HN -0.058 nan 8.310 nan 0.000 0.467 510 V N 2.633 122.548 119.914 0.001 0.000 2.357 510 V HA 0.689 4.812 4.120 0.005 0.000 0.284 510 V C -1.014 175.080 176.094 -0.000 0.000 1.018 510 V CA -0.229 62.072 62.300 0.000 0.000 0.841 510 V CB 0.589 32.412 31.823 -0.000 0.000 0.991 510 V HN 1.089 nan 8.190 nan 0.000 0.437 511 D N 3.362 123.763 120.400 0.000 0.000 2.812 511 D HA 0.562 5.205 4.640 0.005 0.000 0.318 511 D C -0.917 175.385 176.300 0.002 0.000 1.234 511 D CA -0.820 53.180 54.000 -0.000 0.000 0.989 511 D CB 1.166 41.965 40.800 -0.003 0.000 1.442 511 D HN 0.236 nan 8.370 nan 0.000 0.537 512 E N -0.332 119.870 120.200 0.002 0.000 2.244 512 E HA 0.439 4.792 4.350 0.005 0.000 0.266 512 E C -2.296 174.310 176.600 0.011 0.000 0.914 512 E CA -1.893 54.512 56.400 0.008 0.000 0.794 512 E CB 1.472 31.177 29.700 0.008 0.000 1.210 512 E HN 0.326 nan 8.360 nan 0.000 0.414 513 P HA 0.077 nan 4.420 nan 0.000 0.269 513 P C -0.215 177.098 177.300 0.022 0.000 1.209 513 P CA -0.452 62.673 63.100 0.042 0.000 0.776 513 P CB 0.517 32.267 31.700 0.084 0.000 0.876 514 L N 2.814 124.031 121.223 -0.010 0.000 2.416 514 L HA 0.090 4.433 4.340 0.005 0.000 0.272 514 L C 0.954 177.795 176.870 -0.049 0.000 1.161 514 L CA 0.592 55.396 54.840 -0.061 0.000 0.845 514 L CB -0.655 41.313 42.059 -0.152 0.000 1.119 514 L HN 0.347 nan 8.230 nan 0.000 0.464 515 D N 2.947 123.318 120.400 -0.048 0.000 2.402 515 D HA 0.358 5.001 4.640 0.005 0.000 0.235 515 D C -0.660 175.585 176.300 -0.092 0.000 1.226 515 D CA -0.025 53.955 54.000 -0.034 0.000 0.918 515 D CB 0.243 41.035 40.800 -0.013 0.000 1.043 515 D HN 0.248 nan 8.370 nan 0.000 0.506 516 V N 0.758 120.573 119.914 -0.164 0.000 3.040 516 V HA 0.564 4.687 4.120 0.005 0.000 0.312 516 V C -0.417 175.536 176.094 -0.235 0.000 1.115 516 V CA -1.131 61.026 62.300 -0.239 0.000 0.998 516 V CB 2.096 33.686 31.823 -0.390 0.000 1.042 516 V HN 0.205 nan 8.190 nan 0.000 0.433 517 D N 0.740 121.090 120.400 -0.082 0.000 2.396 517 D HA 0.355 4.998 4.640 0.005 0.000 0.225 517 D C 0.173 176.512 176.300 0.065 0.000 1.121 517 D CA -0.141 53.887 54.000 0.046 0.000 0.853 517 D CB 0.934 41.846 40.800 0.186 0.000 1.043 517 D HN 0.605 nan 8.370 nan 0.000 0.500 518 Y N 2.238 122.615 120.300 0.129 0.000 2.616 518 Y HA 0.032 4.585 4.550 0.005 0.000 0.296 518 Y C 2.113 177.948 175.900 -0.108 0.000 1.154 518 Y CA 0.371 58.495 58.100 0.041 0.000 1.325 518 Y CB 0.152 38.625 38.460 0.021 0.000 1.007 518 Y HN 0.277 nan 8.280 nan 0.000 0.542 519 R N -0.669 119.798 120.500 -0.055 0.000 2.276 519 R HA 0.033 4.376 4.340 0.005 0.000 0.203 519 R C -0.735 175.216 176.300 -0.583 0.000 1.017 519 R CA 0.463 56.338 56.100 -0.374 0.000 1.010 519 R CB -0.028 29.795 30.300 -0.794 0.000 0.900 519 R HN 0.120 nan 8.270 nan 0.000 0.469 520 F N 0.505 120.451 119.950 -0.006 0.000 2.520 520 F HA 0.223 4.752 4.527 0.005 0.000 0.322 520 F C 0.206 175.975 175.800 -0.052 0.000 1.103 520 F CA -1.519 56.483 58.000 0.004 0.000 0.926 520 F CB 1.123 40.133 39.000 0.016 0.000 1.154 520 F HN -0.227 nan 8.300 nan 0.000 0.453 521 D N 2.638 123.104 120.400 0.109 0.000 2.531 521 D HA -0.052 4.592 4.640 0.005 0.000 0.239 521 D C -0.045 176.324 176.300 0.115 0.000 1.144 521 D CA 0.621 54.621 54.000 0.001 0.000 0.869 521 D CB 0.433 41.251 40.800 0.029 0.000 1.160 521 D HN 0.085 nan 8.370 nan 0.000 0.484 522 F N 1.514 121.496 119.950 0.054 0.000 2.623 522 F HA -0.081 4.449 4.527 0.005 0.000 0.383 522 F C 1.734 177.545 175.800 0.019 0.000 1.077 522 F CA -0.707 57.307 58.000 0.023 0.000 1.268 522 F CB -0.274 38.736 39.000 0.017 0.000 1.053 522 F HN 0.088 nan 8.300 nan 0.000 0.571 523 S N 1.721 117.545 115.700 0.205 0.000 2.596 523 S HA 0.079 4.552 4.470 0.005 0.000 0.260 523 S C 0.928 175.573 174.600 0.076 0.000 1.336 523 S CA -0.664 57.595 58.200 0.099 0.000 0.993 523 S CB 0.790 64.017 63.200 0.045 0.000 0.923 523 S HN 0.556 nan 8.310 nan 0.000 0.567 524 D N 0.552 120.981 120.400 0.047 0.000 2.144 524 D HA -0.123 4.520 4.640 0.005 0.000 0.199 524 D C 1.771 178.077 176.300 0.009 0.000 0.984 524 D CA 1.583 55.603 54.000 0.033 0.000 0.834 524 D CB -0.402 40.412 40.800 0.024 0.000 0.955 524 D HN 0.866 nan 8.370 nan 0.000 0.465 525 E N 0.422 120.619 120.200 -0.005 0.000 2.051 525 E HA -0.160 4.194 4.350 0.005 0.000 0.192 525 E C 2.267 178.834 176.600 -0.055 0.000 0.991 525 E CA 0.734 57.119 56.400 -0.026 0.000 0.799 525 E CB -0.099 29.584 29.700 -0.030 0.000 0.748 525 E HN 0.223 nan 8.360 nan 0.000 0.449 526 I N 0.877 121.399 120.570 -0.079 0.000 2.226 526 I HA -0.276 3.897 4.170 0.005 0.000 0.245 526 I C 2.519 178.530 176.117 -0.177 0.000 1.100 526 I CA 1.204 62.393 61.300 -0.185 0.000 1.374 526 I CB -0.196 37.622 38.000 -0.303 0.000 1.057 526 I HN 0.060 nan 8.210 nan 0.000 0.413 527 K N 0.362 120.723 120.400 -0.065 0.000 2.097 527 K HA -0.172 4.151 4.320 0.005 0.000 0.206 527 K C 2.034 178.625 176.600 -0.014 0.000 1.049 527 K CA 1.103 57.387 56.287 -0.005 0.000 0.933 527 K CB -0.095 32.447 32.500 0.069 0.000 0.717 527 K HN 0.286 nan 8.250 nan 0.000 0.442 528 E N 1.049 121.237 120.200 -0.019 0.000 2.072 528 E HA -0.142 4.211 4.350 0.005 0.000 0.191 528 E C 1.831 178.415 176.600 -0.028 0.000 0.985 528 E CA 1.144 57.535 56.400 -0.014 0.000 0.801 528 E CB 0.018 29.711 29.700 -0.011 0.000 0.750 528 E HN 0.288 nan 8.360 nan 0.000 0.452 529 K N 0.499 120.867 120.400 -0.052 0.000 2.097 529 K HA -0.030 4.293 4.320 0.005 0.000 0.205 529 K C 2.300 178.864 176.600 -0.060 0.000 1.050 529 K CA 0.725 56.977 56.287 -0.060 0.000 0.938 529 K CB -0.129 32.321 32.500 -0.084 0.000 0.718 529 K HN 0.077 nan 8.250 nan 0.000 0.442 530 I N 1.448 121.971 120.570 -0.079 0.000 2.264 530 I HA -0.291 3.882 4.170 0.005 0.000 0.248 530 I C 1.809 177.917 176.117 -0.015 0.000 1.111 530 I CA 1.367 62.631 61.300 -0.060 0.000 1.382 530 I CB -0.087 37.868 38.000 -0.074 0.000 1.060 530 I HN 0.112 nan 8.210 nan 0.000 0.418 531 K N 0.517 120.913 120.400 -0.005 0.000 2.504 531 K HA -0.096 4.228 4.320 0.005 0.000 0.195 531 K C 1.395 177.999 176.600 0.007 0.000 1.036 531 K CA 0.720 57.014 56.287 0.011 0.000 0.984 531 K CB 0.067 32.577 32.500 0.017 0.000 0.788 531 K HN 0.307 nan 8.250 nan 0.000 0.488 532 K N 0.155 120.553 120.400 -0.003 0.000 2.358 532 K HA 0.197 4.520 4.320 0.005 0.000 0.200 532 K C 0.053 176.652 176.600 -0.003 0.000 1.030 532 K CA -0.137 56.149 56.287 -0.002 0.000 1.097 532 K CB 0.572 33.068 32.500 -0.007 0.000 0.862 532 K HN 0.000 nan 8.250 nan 0.000 0.534 533 L N 1.738 122.958 121.223 -0.004 0.000 2.399 533 L HA 0.152 4.495 4.340 0.005 0.000 0.266 533 L C 0.822 177.695 176.870 0.005 0.000 1.114 533 L CA -0.529 54.309 54.840 -0.002 0.000 0.804 533 L CB 1.206 43.262 42.059 -0.005 0.000 1.146 533 L HN 0.106 nan 8.230 nan 0.000 0.451 534 S N 0.973 116.676 115.700 0.005 0.000 2.600 534 S HA 0.226 4.700 4.470 0.005 0.000 0.265 534 S C 1.057 175.662 174.600 0.009 0.000 1.325 534 S CA -0.136 58.068 58.200 0.007 0.000 1.002 534 S CB 1.371 64.574 63.200 0.005 0.000 0.921 534 S HN 0.702 nan 8.310 nan 0.000 0.554 535 A N 1.369 124.194 122.820 0.008 0.000 1.933 535 A HA -0.115 4.208 4.320 0.005 0.000 0.218 535 A C 2.179 179.767 177.584 0.006 0.000 1.175 535 A CA 1.795 53.836 52.037 0.007 0.000 0.628 535 A CB -0.925 18.079 19.000 0.006 0.000 0.814 535 A HN 0.952 nan 8.150 nan 0.000 0.444 536 K N -0.228 120.174 120.400 0.004 0.000 2.032 536 K HA -0.134 4.189 4.320 0.005 0.000 0.209 536 K C 2.207 178.813 176.600 0.009 0.000 1.048 536 K CA 1.764 58.051 56.287 0.000 0.000 0.927 536 K CB -0.220 32.278 32.500 -0.003 0.000 0.712 536 K HN 0.429 nan 8.250 nan 0.000 0.441 537 S N 1.225 116.933 115.700 0.014 0.000 2.368 537 S HA -0.059 4.414 4.470 0.005 0.000 0.224 537 S C 1.912 176.537 174.600 0.042 0.000 1.029 537 S CA 0.999 59.215 58.200 0.025 0.000 0.988 537 S CB -0.177 63.034 63.200 0.018 0.000 0.838 537 S HN 0.244 nan 8.310 nan 0.000 0.462 538 L N 1.429 122.672 121.223 0.034 0.000 2.017 538 L HA -0.154 4.189 4.340 0.005 0.000 0.208 538 L C 2.058 178.962 176.870 0.056 0.000 1.073 538 L CA 1.302 56.170 54.840 0.046 0.000 0.745 538 L CB -0.707 41.369 42.059 0.028 0.000 0.894 538 L HN 0.326 nan 8.230 nan 0.000 0.432 539 N N -0.635 118.088 118.700 0.037 0.000 2.166 539 N HA -0.225 4.518 4.740 0.005 0.000 0.186 539 N C 1.784 177.334 175.510 0.067 0.000 1.019 539 N CA 0.858 53.931 53.050 0.039 0.000 0.856 539 N CB 0.021 38.514 38.487 0.011 0.000 0.993 539 N HN 0.220 nan 8.380 nan 0.000 0.426 540 E N 0.986 121.223 120.200 0.060 0.000 2.072 540 E HA -0.065 4.288 4.350 0.005 0.000 0.191 540 E C 1.757 178.445 176.600 0.147 0.000 0.985 540 E CA 1.247 57.700 56.400 0.088 0.000 0.801 540 E CB -0.053 29.682 29.700 0.057 0.000 0.750 540 E HN 0.322 nan 8.360 nan 0.000 0.452 541 M N -0.427 119.259 119.600 0.144 0.000 2.159 541 M HA -0.120 4.364 4.480 0.005 0.000 0.263 541 M C 2.117 178.471 176.300 0.090 0.000 1.063 541 M CA 0.965 56.388 55.300 0.206 0.000 1.110 541 M CB -0.262 32.497 32.600 0.264 0.000 1.374 541 M HN 0.215 nan 8.290 nan 0.000 0.411 542 L N 0.107 121.385 121.223 0.092 0.000 2.017 542 L HA -0.174 4.169 4.340 0.005 0.000 0.208 542 L C 2.210 179.071 176.870 -0.014 0.000 1.073 542 L CA 1.824 56.688 54.840 0.040 0.000 0.745 542 L CB -0.885 41.205 42.059 0.052 0.000 0.894 542 L HN 0.197 nan 8.230 nan 0.000 0.432 543 F N 0.438 120.330 119.950 -0.095 0.000 2.095 543 F HA -0.250 4.280 4.527 0.005 0.000 0.298 543 F C 2.549 178.241 175.800 -0.180 0.000 1.104 543 F CA 1.860 59.792 58.000 -0.112 0.000 1.232 543 F CB -0.238 38.716 39.000 -0.077 0.000 0.987 543 F HN 0.026 nan 8.300 nan 0.000 0.475 544 R N 0.023 120.409 120.500 -0.191 0.000 2.092 544 R HA -0.080 4.263 4.340 0.005 0.000 0.231 544 R C 2.495 178.294 176.300 -0.836 0.000 1.119 544 R CA 1.131 56.962 56.100 -0.449 0.000 0.970 544 R CB -0.815 29.317 30.300 -0.279 0.000 0.864 544 R HN 0.397 nan 8.270 nan 0.000 0.440 545 A N 1.134 123.384 122.820 -0.951 0.000 1.902 545 A HA -0.227 4.097 4.320 0.005 0.000 0.217 545 A C 2.037 179.400 177.584 -0.369 0.000 1.181 545 A CA 1.299 52.911 52.037 -0.707 0.000 0.623 545 A CB -0.393 18.440 19.000 -0.279 0.000 0.818 545 A HN 0.323 nan 8.150 nan 0.000 0.443 546 Q N -1.110 118.492 119.800 -0.330 0.000 2.119 546 Q HA -0.115 4.228 4.340 0.005 0.000 0.201 546 Q C 2.322 178.132 176.000 -0.317 0.000 0.972 546 Q CA 0.984 56.627 55.803 -0.268 0.000 0.847 546 Q CB -0.121 28.477 28.738 -0.234 0.000 0.903 546 Q HN 0.397 nan 8.270 nan 0.000 0.433 547 R N -0.075 120.148 120.500 -0.462 0.000 2.092 547 R HA -0.052 4.292 4.340 0.005 0.000 0.231 547 R C 2.182 178.333 176.300 -0.248 0.000 1.119 547 R CA 1.382 57.239 56.100 -0.406 0.000 0.970 547 R CB -0.917 29.070 30.300 -0.522 0.000 0.864 547 R HN 0.288 nan 8.270 nan 0.000 0.440 548 T N 0.903 115.315 114.554 -0.236 0.000 2.746 548 T HA -0.147 4.206 4.350 0.005 0.000 0.267 548 T C 1.714 176.357 174.700 -0.095 0.000 1.039 548 T CA 1.365 63.388 62.100 -0.128 0.000 1.142 548 T CB -0.082 68.746 68.868 -0.067 0.000 0.866 548 T HN 0.407 nan 8.240 nan 0.000 0.444 549 E N 0.516 120.648 120.200 -0.114 0.000 2.058 549 E HA -0.146 4.207 4.350 0.005 0.000 0.194 549 E C 2.213 178.777 176.600 -0.061 0.000 0.997 549 E CA 1.139 57.493 56.400 -0.076 0.000 0.801 549 E CB -0.103 29.548 29.700 -0.081 0.000 0.746 549 E HN 0.256 nan 8.360 nan 0.000 0.450 550 V N 1.213 121.073 119.914 -0.089 0.000 2.295 550 V HA -0.288 3.835 4.120 0.005 0.000 0.246 550 V C 2.467 178.529 176.094 -0.055 0.000 1.049 550 V CA 1.832 64.092 62.300 -0.067 0.000 1.024 550 V CB -0.845 30.919 31.823 -0.098 0.000 0.648 550 V HN 0.448 nan 8.190 nan 0.000 0.447 551 A N 0.548 123.324 122.820 -0.073 0.000 1.883 551 A HA -0.147 4.176 4.320 0.005 0.000 0.217 551 A C 2.435 180.005 177.584 -0.023 0.000 1.186 551 A CA 2.145 54.147 52.037 -0.059 0.000 0.624 551 A CB -1.319 17.644 19.000 -0.060 0.000 0.822 551 A HN 0.539 nan 8.150 nan 0.000 0.444 552 G N -0.845 107.959 108.800 0.007 0.000 2.418 552 G HA2 -0.208 3.755 3.960 0.005 0.000 0.217 552 G HA3 -0.208 3.755 3.960 0.005 0.000 0.217 552 G C 1.520 176.432 174.900 0.020 0.000 1.158 552 G CA 1.596 46.731 45.100 0.059 0.000 0.771 552 G HN 0.477 nan 8.290 nan 0.000 0.545 553 M N 1.195 120.797 119.600 0.003 0.000 2.065 553 M HA -0.041 4.443 4.480 0.005 0.000 0.259 553 M C 2.520 178.835 176.300 0.025 0.000 1.069 553 M CA 2.289 57.594 55.300 0.007 0.000 1.110 553 M CB -1.066 31.544 32.600 0.017 0.000 1.328 553 M HN 0.119 nan 8.290 nan 0.000 0.405 554 T N 0.830 115.413 114.554 0.047 0.000 2.665 554 T HA -0.152 4.201 4.350 0.005 0.000 0.268 554 T C 1.801 176.492 174.700 -0.015 0.000 1.035 554 T CA 2.009 64.170 62.100 0.102 0.000 1.151 554 T CB -0.845 68.079 68.868 0.093 0.000 0.862 554 T HN 0.593 nan 8.240 nan 0.000 0.438 555 A N 1.607 124.359 122.820 -0.113 0.000 1.902 555 A HA -0.181 4.143 4.320 0.005 0.000 0.217 555 A C 2.280 179.736 177.584 -0.212 0.000 1.181 555 A CA 2.052 53.909 52.037 -0.300 0.000 0.623 555 A CB -0.627 18.001 19.000 -0.620 0.000 0.818 555 A HN 0.681 nan 8.150 nan 0.000 0.443 556 Q N -0.818 118.932 119.800 -0.084 0.000 2.089 556 Q HA 0.049 4.392 4.340 0.005 0.000 0.195 556 Q C 1.703 177.678 176.000 -0.042 0.000 0.963 556 Q CA 1.605 57.385 55.803 -0.037 0.000 0.834 556 Q CB -0.708 28.020 28.738 -0.016 0.000 0.906 556 Q HN 0.370 nan 8.270 nan 0.000 0.452 557 I N 1.323 121.864 120.570 -0.049 0.000 2.394 557 I HA -0.163 4.010 4.170 0.005 0.000 0.251 557 I C 1.172 177.281 176.117 -0.014 0.000 1.136 557 I CA 1.168 62.407 61.300 -0.101 0.000 1.425 557 I CB -0.237 37.640 38.000 -0.205 0.000 1.079 557 I HN 0.286 nan 8.210 nan 0.000 0.425 558 N N -0.118 118.613 118.700 0.051 0.000 2.424 558 N HA 0.013 4.757 4.740 0.005 0.000 0.178 558 N C 1.821 177.358 175.510 0.044 0.000 1.060 558 N CA 0.410 53.526 53.050 0.110 0.000 0.901 558 N CB 0.001 38.477 38.487 -0.019 0.000 0.979 558 N HN 0.395 nan 8.380 nan 0.000 0.451 559 R N 1.214 121.710 120.500 -0.007 0.000 2.090 559 R HA 0.014 4.357 4.340 0.005 0.000 0.228 559 R C 2.161 178.519 176.300 0.096 0.000 1.110 559 R CA 0.786 56.894 56.100 0.014 0.000 0.973 559 R CB -0.013 30.270 30.300 -0.029 0.000 0.869 559 R HN 0.156 nan 8.270 nan 0.000 0.440 560 K N 1.064 121.509 120.400 0.075 0.000 2.063 560 K HA -0.195 4.128 4.320 0.005 0.000 0.208 560 K C 2.033 178.714 176.600 0.136 0.000 1.048 560 K CA 1.346 57.690 56.287 0.096 0.000 0.928 560 K CB -0.144 32.369 32.500 0.022 0.000 0.713 560 K HN 0.045 nan 8.250 nan 0.000 0.442 561 L N 1.453 122.773 121.223 0.162 0.000 2.012 561 L HA -0.155 4.188 4.340 0.005 0.000 0.210 561 L C 2.202 179.228 176.870 0.259 0.000 1.073 561 L CA 1.415 56.405 54.840 0.250 0.000 0.748 561 L CB -0.728 41.565 42.059 0.390 0.000 0.891 561 L HN 0.308 nan 8.230 nan 0.000 0.431 562 L N 0.020 121.397 121.223 0.256 0.000 2.012 562 L HA -0.199 4.144 4.340 0.005 0.000 0.210 562 L C 2.425 179.638 176.870 0.572 0.000 1.073 562 L CA 2.369 57.417 54.840 0.347 0.000 0.748 562 L CB -0.711 41.458 42.059 0.183 0.000 0.891 562 L HN 0.524 nan 8.230 nan 0.000 0.431 563 I N -3.297 117.533 120.570 0.432 0.000 2.353 563 I HA -0.152 4.021 4.170 0.005 0.000 0.248 563 I C 1.931 178.155 176.117 0.179 0.000 1.119 563 I CA 1.451 62.956 61.300 0.342 0.000 1.417 563 I CB -0.820 37.347 38.000 0.279 0.000 1.078 563 I HN 0.197 nan 8.210 nan 0.000 0.421 564 N N 1.541 120.360 118.700 0.197 0.000 2.289 564 N HA -0.103 4.640 4.740 0.005 0.000 0.184 564 N C 1.938 177.590 175.510 0.235 0.000 1.016 564 N CA 1.514 54.690 53.050 0.209 0.000 0.872 564 N CB -0.316 38.267 38.487 0.160 0.000 0.973 564 N HN 0.405 nan 8.380 nan 0.000 0.433 565 S N 0.586 116.409 115.700 0.205 0.000 2.489 565 S HA 0.019 4.492 4.470 0.005 0.000 0.228 565 S C 1.735 176.324 174.600 -0.019 0.000 0.995 565 S CA 0.009 58.295 58.200 0.144 0.000 0.934 565 S CB -0.009 63.325 63.200 0.223 0.000 0.771 565 S HN 0.194 nan 8.310 nan 0.000 0.522 566 L N 1.285 122.412 121.223 -0.160 0.000 2.027 566 L HA -0.019 4.324 4.340 0.005 0.000 0.206 566 L C 2.012 178.666 176.870 -0.360 0.000 1.074 566 L CA 1.726 56.177 54.840 -0.648 0.000 0.745 566 L CB -1.181 40.129 42.059 -1.249 0.000 0.898 566 L HN 0.403 nan 8.230 nan 0.000 0.433 567 Y N 0.323 120.502 120.300 -0.202 0.000 2.114 567 Y HA -0.142 4.412 4.550 0.005 0.000 0.282 567 Y C 2.222 178.106 175.900 -0.027 0.000 1.165 567 Y CA 1.924 59.977 58.100 -0.079 0.000 1.148 567 Y CB -1.118 37.388 38.460 0.077 0.000 0.972 567 Y HN 0.160 nan 8.280 nan 0.000 0.504 568 G N 0.159 108.650 108.800 -0.516 0.000 2.440 568 G HA2 -0.273 3.690 3.960 0.005 0.000 0.218 568 G HA3 -0.273 3.690 3.960 0.005 0.000 0.218 568 G C 1.840 176.532 174.900 -0.348 0.000 1.154 568 G CA 1.240 46.040 45.100 -0.500 0.000 0.767 568 G HN 0.707 nan 8.290 nan 0.000 0.552 569 A N 0.591 123.181 122.820 -0.385 0.000 1.933 569 A HA 0.089 4.412 4.320 0.005 0.000 0.218 569 A C 2.390 179.815 177.584 -0.265 0.000 1.175 569 A CA 1.212 52.928 52.037 -0.535 0.000 0.628 569 A CB -0.366 17.846 19.000 -1.313 0.000 0.814 569 A HN 0.371 nan 8.150 nan 0.000 0.444 570 L N -0.926 120.173 121.223 -0.206 0.000 2.191 570 L HA -0.107 4.236 4.340 0.005 0.000 0.212 570 L C 2.183 178.972 176.870 -0.135 0.000 1.103 570 L CA 0.909 55.747 54.840 -0.004 0.000 0.769 570 L CB -0.324 41.681 42.059 -0.090 0.000 0.908 570 L HN 0.496 nan 8.230 nan 0.000 0.438 571 G N -1.062 107.639 108.800 -0.164 0.000 3.523 571 G HA2 -0.012 3.951 3.960 0.005 0.000 0.270 571 G HA3 -0.012 3.951 3.960 0.005 0.000 0.270 571 G C 0.034 175.104 174.900 0.284 0.000 1.134 571 G CA -0.247 44.833 45.100 -0.034 0.000 0.825 571 G HN 0.134 nan 8.290 nan 0.000 0.534 572 N N 0.948 119.836 118.700 0.313 0.000 2.407 572 N HA 0.107 4.850 4.740 0.005 0.000 0.277 572 N C 1.561 177.074 175.510 0.004 0.000 0.995 572 N CA -0.413 52.748 53.050 0.185 0.000 0.903 572 N CB 2.412 40.989 38.487 0.150 0.000 1.218 572 N HN -0.035 nan 8.380 nan 0.000 0.487 573 V N 1.946 121.561 119.914 -0.498 0.000 2.828 573 V HA -0.088 4.035 4.120 0.005 0.000 0.260 573 V C 1.163 176.920 176.094 -0.562 0.000 1.101 573 V CA 1.057 62.748 62.300 -1.015 0.000 1.123 573 V CB -0.904 30.346 31.823 -0.957 0.000 0.704 573 V HN 0.660 nan 8.190 nan 0.000 0.493 574 W N -1.435 119.846 121.300 -0.032 0.000 3.003 574 W HA 0.399 5.062 4.660 0.005 0.000 0.257 574 W C 0.980 177.594 176.519 0.158 0.000 1.308 574 W CA -0.818 56.555 57.345 0.046 0.000 1.529 574 W CB -0.064 29.415 29.460 0.031 0.000 1.115 574 W HN 0.164 nan 8.180 nan 0.000 0.659 575 F N 2.234 122.299 119.950 0.192 0.000 2.484 575 F HA 0.151 4.682 4.527 0.005 0.000 0.360 575 F C 1.872 177.729 175.800 0.095 0.000 1.101 575 F CA -1.014 57.089 58.000 0.171 0.000 1.251 575 F CB 0.745 39.863 39.000 0.196 0.000 1.132 575 F HN -0.196 nan 8.300 nan 0.000 0.570 576 R N 3.391 123.612 120.500 -0.465 0.000 2.127 576 R HA -0.186 4.158 4.340 0.005 0.000 0.238 576 R C 0.350 176.107 176.300 -0.906 0.000 1.134 576 R CA 1.770 57.439 56.100 -0.718 0.000 0.975 576 R CB -0.209 29.499 30.300 -0.987 0.000 0.865 576 R HN 0.735 nan 8.270 nan 0.000 0.447 577 Y N -1.378 118.443 120.300 -0.798 0.000 2.720 577 Y HA 0.115 4.668 4.550 0.005 0.000 0.277 577 Y C -0.504 175.368 175.900 -0.048 0.000 1.144 577 Y CA -1.028 56.825 58.100 -0.412 0.000 1.221 577 Y CB -0.184 38.000 38.460 -0.460 0.000 1.163 577 Y HN 0.015 nan 8.280 nan 0.000 0.537 578 Y N 2.637 122.939 120.300 0.003 0.000 2.805 578 Y HA 0.125 4.678 4.550 0.005 0.000 0.331 578 Y C -0.156 175.652 175.900 -0.153 0.000 1.241 578 Y CA 0.483 58.572 58.100 -0.019 0.000 1.546 578 Y CB 0.378 38.717 38.460 -0.203 0.000 1.248 578 Y HN 0.194 nan 8.280 nan 0.000 0.559 579 D N 6.516 126.473 120.400 -0.739 0.000 2.419 579 D HA 0.075 4.718 4.640 0.005 0.000 0.219 579 D C 0.004 175.900 176.300 -0.673 0.000 1.349 579 D CA -0.390 53.225 54.000 -0.640 0.000 0.964 579 D CB 0.764 41.417 40.800 -0.245 0.000 1.463 579 D HN 0.755 nan 8.370 nan 0.000 0.573 580 L N 2.643 123.407 121.223 -0.764 0.000 2.191 580 L HA -0.067 4.276 4.340 0.005 0.000 0.212 580 L C 2.392 179.041 176.870 -0.368 0.000 1.103 580 L CA 0.785 55.269 54.840 -0.593 0.000 0.769 580 L CB -0.048 41.760 42.059 -0.419 0.000 0.908 580 L HN 0.253 nan 8.230 nan 0.000 0.438 581 R N -0.110 120.227 120.500 -0.271 0.000 2.081 581 R HA -0.138 4.205 4.340 0.005 0.000 0.235 581 R C 2.051 178.280 176.300 -0.119 0.000 1.131 581 R CA 1.468 57.466 56.100 -0.171 0.000 0.960 581 R CB -0.338 29.872 30.300 -0.151 0.000 0.856 581 R HN 0.400 nan 8.270 nan 0.000 0.436 582 N N 0.599 119.222 118.700 -0.128 0.000 2.171 582 N HA -0.064 4.680 4.740 0.005 0.000 0.184 582 N C 1.666 177.102 175.510 -0.124 0.000 1.021 582 N CA 1.379 54.385 53.050 -0.074 0.000 0.854 582 N CB -0.358 38.092 38.487 -0.062 0.000 0.994 582 N HN 0.194 nan 8.380 nan 0.000 0.426 583 A N 0.593 123.276 122.820 -0.228 0.000 1.883 583 A HA -0.163 4.161 4.320 0.005 0.000 0.217 583 A C 2.349 179.887 177.584 -0.076 0.000 1.186 583 A CA 2.476 54.391 52.037 -0.203 0.000 0.624 583 A CB -1.228 17.364 19.000 -0.681 0.000 0.822 583 A HN 0.514 nan 8.150 nan 0.000 0.444 584 T N -2.487 111.974 114.554 -0.154 0.000 2.951 584 T HA 0.199 4.552 4.350 0.005 0.000 0.268 584 T C 1.904 176.599 174.700 -0.009 0.000 1.073 584 T CA 1.369 63.471 62.100 0.004 0.000 1.134 584 T CB -0.462 68.407 68.868 0.002 0.000 0.884 584 T HN 0.555 nan 8.240 nan 0.000 0.479 585 A N 1.660 124.457 122.820 -0.039 0.000 1.908 585 A HA 0.079 4.403 4.320 0.005 0.000 0.218 585 A C 2.317 179.854 177.584 -0.078 0.000 1.181 585 A CA 1.430 53.458 52.037 -0.015 0.000 0.627 585 A CB -0.825 18.205 19.000 0.050 0.000 0.818 585 A HN 0.592 nan 8.150 nan 0.000 0.445 586 I N -0.004 120.462 120.570 -0.174 0.000 2.163 586 I HA -0.221 3.952 4.170 0.005 0.000 0.240 586 I C 2.926 178.768 176.117 -0.458 0.000 1.081 586 I CA 1.864 62.940 61.300 -0.374 0.000 1.353 586 I CB -0.593 37.130 38.000 -0.462 0.000 1.054 586 I HN 0.534 nan 8.210 nan 0.000 0.407 587 T N -2.458 111.895 114.554 -0.336 0.000 2.821 587 T HA -0.129 4.225 4.350 0.005 0.000 0.267 587 T C 1.816 176.500 174.700 -0.027 0.000 1.046 587 T CA 1.800 63.768 62.100 -0.221 0.000 1.139 587 T CB -0.871 68.042 68.868 0.075 0.000 0.871 587 T HN 0.224 nan 8.240 nan 0.000 0.454 588 T N 1.205 115.770 114.554 0.019 0.000 2.777 588 T HA 0.080 4.433 4.350 0.005 0.000 0.266 588 T C 1.348 176.074 174.700 0.042 0.000 1.040 588 T CA 1.011 63.140 62.100 0.049 0.000 1.141 588 T CB -0.622 68.271 68.868 0.043 0.000 0.868 588 T HN 0.386 nan 8.240 nan 0.000 0.444 589 F N 2.192 122.074 119.950 -0.113 0.000 2.126 589 F HA -0.010 4.520 4.527 0.005 0.000 0.299 589 F C 2.420 178.167 175.800 -0.088 0.000 1.096 589 F CA 1.336 59.260 58.000 -0.126 0.000 1.255 589 F CB -0.797 38.094 39.000 -0.181 0.000 0.997 589 F HN 0.184 nan 8.300 nan 0.000 0.479 590 G N -0.538 108.342 108.800 0.133 0.000 2.440 590 G HA2 -0.275 3.689 3.960 0.005 0.000 0.218 590 G HA3 -0.275 3.689 3.960 0.005 0.000 0.218 590 G C 1.514 176.483 174.900 0.115 0.000 1.154 590 G CA 0.854 46.035 45.100 0.135 0.000 0.767 590 G HN 0.431 nan 8.290 nan 0.000 0.552 591 Q N -0.688 119.171 119.800 0.098 0.000 2.050 591 Q HA -0.090 4.254 4.340 0.005 0.000 0.202 591 Q C 2.495 178.494 176.000 -0.002 0.000 0.980 591 Q CA 1.396 57.258 55.803 0.099 0.000 0.840 591 Q CB -0.272 28.530 28.738 0.106 0.000 0.898 591 Q HN 0.588 nan 8.270 nan 0.000 0.424 592 M N 0.273 119.843 119.600 -0.051 0.000 2.086 592 M HA -0.170 4.313 4.480 0.005 0.000 0.261 592 M C 2.167 178.454 176.300 -0.022 0.000 1.067 592 M CA 1.740 56.998 55.300 -0.071 0.000 1.116 592 M CB -0.182 32.304 32.600 -0.189 0.000 1.348 592 M HN 0.199 nan 8.290 nan 0.000 0.407 593 A N 0.628 123.389 122.820 -0.099 0.000 1.892 593 A HA -0.222 4.101 4.320 0.005 0.000 0.218 593 A C 2.016 179.782 177.584 0.303 0.000 1.188 593 A CA 1.894 53.996 52.037 0.110 0.000 0.631 593 A CB -1.131 17.902 19.000 0.055 0.000 0.822 593 A HN 0.607 nan 8.150 nan 0.000 0.447 594 L N -0.274 121.071 121.223 0.204 0.000 2.017 594 L HA -0.186 4.157 4.340 0.005 0.000 0.208 594 L C 2.468 179.415 176.870 0.129 0.000 1.073 594 L CA 2.476 57.439 54.840 0.206 0.000 0.745 594 L CB -0.772 41.418 42.059 0.220 0.000 0.894 594 L HN 0.526 nan 8.230 nan 0.000 0.432 595 Q N -1.663 118.155 119.800 0.031 0.000 2.245 595 Q HA -0.204 4.139 4.340 0.005 0.000 0.201 595 Q C 1.947 177.945 176.000 -0.004 0.000 0.955 595 Q CA 1.307 57.069 55.803 -0.069 0.000 0.870 595 Q CB -0.459 28.111 28.738 -0.279 0.000 0.945 595 Q HN 0.712 nan 8.270 nan 0.000 0.461 596 W N 1.190 122.418 121.300 -0.120 0.000 2.333 596 W HA -0.218 4.446 4.660 0.005 0.000 0.316 596 W C 1.698 178.091 176.519 -0.211 0.000 1.215 596 W CA 1.138 58.398 57.345 -0.142 0.000 1.278 596 W CB -0.283 29.113 29.460 -0.107 0.000 1.154 596 W HN 0.158 nan 8.180 nan 0.000 0.486 597 I N 1.530 122.131 120.570 0.051 0.000 2.439 597 I HA -0.223 3.950 4.170 0.005 0.000 0.251 597 I C 2.577 178.601 176.117 -0.155 0.000 1.139 597 I CA 1.960 63.142 61.300 -0.196 0.000 1.438 597 I CB -0.805 36.990 38.000 -0.341 0.000 1.085 597 I HN 0.103 nan 8.210 nan 0.000 0.427 598 E N 0.562 120.723 120.200 -0.066 0.000 2.058 598 E HA -0.334 4.019 4.350 0.005 0.000 0.194 598 E C 2.480 179.021 176.600 -0.098 0.000 0.997 598 E CA 1.512 57.883 56.400 -0.047 0.000 0.801 598 E CB -0.246 29.454 29.700 0.001 0.000 0.746 598 E HN 0.436 nan 8.360 nan 0.000 0.450 599 R N 0.248 120.647 120.500 -0.168 0.000 2.073 599 R HA -0.142 4.201 4.340 0.005 0.000 0.234 599 R C 2.299 178.446 176.300 -0.254 0.000 1.134 599 R CA 1.607 57.572 56.100 -0.224 0.000 0.952 599 R CB 0.022 30.124 30.300 -0.330 0.000 0.850 599 R HN 0.005 nan 8.270 nan 0.000 0.433 600 K N 0.133 120.327 120.400 -0.343 0.000 2.057 600 K HA -0.076 4.247 4.320 0.005 0.000 0.207 600 K C 2.088 178.573 176.600 -0.191 0.000 1.049 600 K CA 1.148 57.246 56.287 -0.315 0.000 0.931 600 K CB -0.347 31.922 32.500 -0.384 0.000 0.714 600 K HN 0.127 nan 8.250 nan 0.000 0.440 601 V N 2.401 122.208 119.914 -0.178 0.000 2.358 601 V HA -0.220 3.903 4.120 0.005 0.000 0.246 601 V C 2.004 178.064 176.094 -0.056 0.000 1.047 601 V CA 1.556 63.780 62.300 -0.125 0.000 1.035 601 V CB -0.523 31.209 31.823 -0.153 0.000 0.658 601 V HN 0.282 nan 8.190 nan 0.000 0.452 602 N N 0.256 118.941 118.700 -0.025 0.000 2.104 602 N HA -0.180 4.564 4.740 0.005 0.000 0.190 602 N C 1.866 177.379 175.510 0.005 0.000 1.024 602 N CA 1.567 54.653 53.050 0.059 0.000 0.853 602 N CB -0.245 38.285 38.487 0.072 0.000 1.008 602 N HN 0.598 nan 8.380 nan 0.000 0.424 603 E N -0.556 119.614 120.200 -0.050 0.000 2.077 603 E HA -0.195 4.159 4.350 0.005 0.000 0.193 603 E C 1.735 178.299 176.600 -0.059 0.000 0.989 603 E CA 0.811 57.173 56.400 -0.062 0.000 0.800 603 E CB -0.204 29.433 29.700 -0.105 0.000 0.746 603 E HN 0.462 nan 8.360 nan 0.000 0.452 604 Y N 1.172 121.363 120.300 -0.182 0.000 2.145 604 Y HA -0.199 4.354 4.550 0.005 0.000 0.286 604 Y C 1.951 177.715 175.900 -0.226 0.000 1.145 604 Y CA 1.384 59.370 58.100 -0.189 0.000 1.148 604 Y CB 0.013 38.349 38.460 -0.207 0.000 0.981 604 Y HN -0.056 nan 8.280 nan 0.000 0.507 605 L N 0.105 121.091 121.223 -0.395 0.000 2.156 605 L HA -0.194 4.149 4.340 0.005 0.000 0.208 605 L C 2.207 178.661 176.870 -0.693 0.000 1.095 605 L CA 0.858 55.227 54.840 -0.785 0.000 0.770 605 L CB -0.618 40.618 42.059 -1.372 0.000 0.914 605 L HN 0.302 nan 8.230 nan 0.000 0.439 606 N N 0.118 118.632 118.700 -0.310 0.000 2.166 606 N HA -0.241 4.502 4.740 0.005 0.000 0.186 606 N C 1.771 177.243 175.510 -0.064 0.000 1.019 606 N CA 1.368 54.438 53.050 0.035 0.000 0.856 606 N CB 0.037 38.592 38.487 0.113 0.000 0.993 606 N HN 0.460 nan 8.380 nan 0.000 0.426 607 E N 0.668 120.770 120.200 -0.162 0.000 2.047 607 E HA -0.106 4.247 4.350 0.005 0.000 0.191 607 E C 1.900 178.382 176.600 -0.196 0.000 0.987 607 E CA 0.734 57.035 56.400 -0.166 0.000 0.799 607 E CB 0.021 29.608 29.700 -0.188 0.000 0.752 607 E HN -0.017 nan 8.360 nan 0.000 0.449 608 V N 0.089 119.806 119.914 -0.328 0.000 2.626 608 V HA -0.195 3.929 4.120 0.005 0.000 0.252 608 V C 1.922 177.946 176.094 -0.116 0.000 1.067 608 V CA 1.465 63.609 62.300 -0.260 0.000 1.081 608 V CB -0.098 31.499 31.823 -0.376 0.000 0.686 608 V HN 0.551 nan 8.190 nan 0.000 0.468 609 C N 0.124 119.371 119.300 -0.088 0.000 2.590 609 C HA 0.452 4.915 4.460 0.005 0.000 0.272 609 C C 1.813 176.820 174.990 0.028 0.000 1.338 609 C CA 0.288 59.319 59.018 0.022 0.000 1.746 609 C CB -0.663 27.177 27.740 0.166 0.000 2.020 609 C HN 0.835 nan 8.230 nan 0.000 0.531 610 G N 1.836 110.639 108.800 0.005 0.000 2.171 610 G HA2 -0.172 3.792 3.960 0.005 0.000 0.238 610 G HA3 -0.172 3.792 3.960 0.005 0.000 0.238 610 G C 0.047 174.963 174.900 0.027 0.000 1.039 610 G CA 0.551 45.654 45.100 0.005 0.000 0.759 610 G HN 0.627 nan 8.290 nan 0.000 0.501 611 T N -3.122 111.466 114.554 0.056 0.000 2.841 611 T HA 0.818 5.172 4.350 0.005 0.000 0.276 611 T C -0.475 174.257 174.700 0.053 0.000 1.003 611 T CA -0.307 61.830 62.100 0.062 0.000 0.995 611 T CB 3.047 71.971 68.868 0.094 0.000 1.260 611 T HN 0.407 nan 8.240 nan 0.000 0.581 612 E N -1.078 119.148 120.200 0.042 0.000 2.290 612 E HA 0.463 4.816 4.350 0.005 0.000 0.274 612 E C 0.418 177.034 176.600 0.027 0.000 0.889 612 E CA -0.227 56.191 56.400 0.030 0.000 0.760 612 E CB 1.200 30.906 29.700 0.009 0.000 1.206 612 E HN 1.212 nan 8.360 nan 0.000 0.419 613 G N 3.467 112.287 108.800 0.032 0.000 2.168 613 G HA2 -0.312 3.652 3.960 0.005 0.000 0.263 613 G HA3 -0.312 3.652 3.960 0.005 0.000 0.263 613 G C 0.163 175.073 174.900 0.016 0.000 0.977 613 G CA 0.798 45.910 45.100 0.020 0.000 0.659 613 G HN 0.532 nan 8.290 nan 0.000 0.533 614 E N 0.456 120.670 120.200 0.023 0.000 2.331 614 E HA 0.602 4.955 4.350 0.005 0.000 0.272 614 E C 0.565 177.136 176.600 -0.048 0.000 1.036 614 E CA -0.080 56.282 56.400 -0.063 0.000 0.864 614 E CB 0.729 30.324 29.700 -0.176 0.000 1.035 614 E HN 0.605 nan 8.360 nan 0.000 0.408 615 A N 4.865 127.625 122.820 -0.099 0.000 2.316 615 A HA 0.234 4.557 4.320 0.005 0.000 0.311 615 A C -0.199 177.326 177.584 -0.098 0.000 1.339 615 A CA -0.303 51.718 52.037 -0.027 0.000 0.960 615 A CB -0.275 18.720 19.000 -0.007 0.000 1.152 615 A HN 0.740 nan 8.150 nan 0.000 0.547 616 F N 2.231 122.197 119.950 0.026 0.000 2.270 616 F HA 0.019 4.549 4.527 0.005 0.000 0.295 616 F C 1.177 176.997 175.800 0.033 0.000 1.087 616 F CA 0.677 58.703 58.000 0.044 0.000 1.365 616 F CB 0.188 39.221 39.000 0.054 0.000 1.056 616 F HN 0.284 nan 8.300 nan 0.000 0.506 617 V N 3.612 123.644 119.914 0.196 0.000 2.415 617 V HA -0.041 4.082 4.120 0.005 0.000 0.267 617 V C 0.925 177.022 176.094 0.006 0.000 1.042 617 V CA 0.008 62.367 62.300 0.097 0.000 1.000 617 V CB 0.476 32.346 31.823 0.079 0.000 1.015 617 V HN 0.263 nan 8.190 nan 0.000 0.478 618 L N 3.957 125.117 121.223 -0.105 0.000 2.416 618 L HA 0.501 4.844 4.340 0.005 0.000 0.216 618 L C 0.289 176.968 176.870 -0.317 0.000 1.098 618 L CA 0.711 55.372 54.840 -0.298 0.000 0.840 618 L CB -0.164 41.474 42.059 -0.701 0.000 0.981 618 L HN 0.504 nan 8.230 nan 0.000 0.462 619 Y N -0.650 119.422 120.300 -0.380 0.000 2.641 619 Y HA 0.655 5.208 4.550 0.005 0.000 0.333 619 Y C -0.770 175.134 175.900 0.006 0.000 1.174 619 Y CA -0.634 57.270 58.100 -0.327 0.000 1.057 619 Y CB 1.634 39.614 38.460 -0.800 0.000 1.322 619 Y HN -0.003 nan 8.280 nan 0.000 0.457 620 G N 2.663 110.983 108.800 -0.799 0.000 2.732 620 G HA2 0.446 4.409 3.960 0.005 0.000 0.296 620 G HA3 0.446 4.409 3.960 0.005 0.000 0.296 620 G C -2.686 171.804 174.900 -0.683 0.000 1.448 620 G CA -0.610 44.219 45.100 -0.452 0.000 0.911 620 G HN 0.476 nan 8.290 nan 0.000 0.528 621 D N 0.553 120.789 120.400 -0.273 0.000 2.478 621 D HA 0.501 5.144 4.640 0.005 0.000 0.240 621 D C 1.082 177.405 176.300 0.039 0.000 1.364 621 D CA 0.637 54.562 54.000 -0.126 0.000 0.987 621 D CB 1.132 41.940 40.800 0.013 0.000 1.328 621 D HN 0.526 nan 8.370 nan 0.000 0.584 622 T N 2.551 117.149 114.554 0.072 0.000 13.275 622 T HA -0.277 4.076 4.350 0.005 0.000 0.419 622 T C 0.603 175.390 174.700 0.145 0.000 1.444 622 T CA 1.868 64.039 62.100 0.118 0.000 2.363 622 T CB -1.140 67.755 68.868 0.046 0.000 2.804 622 T HN 0.647 nan 8.240 nan 0.000 0.610 623 D N 1.047 121.515 120.400 0.114 0.000 2.563 623 D HA 0.310 4.953 4.640 0.005 0.000 0.256 623 D C 0.009 176.388 176.300 0.131 0.000 1.400 623 D CA 0.589 54.663 54.000 0.123 0.000 0.800 623 D CB -0.081 40.764 40.800 0.075 0.000 1.145 623 D HN 0.748 nan 8.370 nan 0.000 0.501 624 S N 0.410 116.188 115.700 0.131 0.000 2.542 624 S HA 0.789 5.263 4.470 0.005 0.000 0.293 624 S C -0.140 174.531 174.600 0.118 0.000 1.089 624 S CA -0.897 57.377 58.200 0.122 0.000 0.961 624 S CB 1.930 65.216 63.200 0.145 0.000 1.062 624 S HN 0.339 nan 8.310 nan 0.000 0.483 625 I N -0.791 119.830 120.570 0.085 0.000 2.689 625 I HA 0.676 4.850 4.170 0.005 0.000 0.299 625 I C -1.893 174.227 176.117 0.005 0.000 1.059 625 I CA -1.289 60.077 61.300 0.110 0.000 1.055 625 I CB 1.541 39.612 38.000 0.118 0.000 1.243 625 I HN 0.623 nan 8.210 nan 0.000 0.425 626 Y N 4.114 124.474 120.300 0.100 0.000 2.328 626 Y HA 0.615 5.168 4.550 0.005 0.000 0.333 626 Y C -0.307 175.620 175.900 0.044 0.000 0.958 626 Y CA -0.827 57.324 58.100 0.085 0.000 1.167 626 Y CB 2.110 40.556 38.460 -0.023 0.000 1.151 626 Y HN 0.319 nan 8.280 nan 0.000 0.470 627 V N 2.790 122.858 119.914 0.256 0.000 2.417 627 V HA 0.281 4.405 4.120 0.005 0.000 0.291 627 V C 0.115 176.370 176.094 0.268 0.000 1.024 627 V CA -0.940 61.520 62.300 0.267 0.000 0.861 627 V CB 1.730 33.767 31.823 0.355 0.000 0.985 627 V HN 0.787 nan 8.190 nan 0.000 0.436 628 S N 3.667 119.510 115.700 0.239 0.000 2.498 628 S HA 0.379 4.853 4.470 0.005 0.000 0.281 628 S C 0.963 175.752 174.600 0.315 0.000 1.265 628 S CA 0.179 58.535 58.200 0.260 0.000 1.071 628 S CB 0.817 64.142 63.200 0.209 0.000 0.894 628 S HN 1.027 nan 8.310 nan 0.000 0.491 629 A N 4.320 127.314 122.820 0.290 0.000 2.430 629 A HA 0.247 4.571 4.320 0.005 0.000 0.243 629 A C 1.320 178.988 177.584 0.139 0.000 1.254 629 A CA -0.068 52.098 52.037 0.215 0.000 0.914 629 A CB -0.166 18.948 19.000 0.190 0.000 0.998 629 A HN 0.785 nan 8.150 nan 0.000 0.515 630 D N 1.148 121.675 120.400 0.211 0.000 2.126 630 D HA -0.198 4.445 4.640 0.005 0.000 0.190 630 D C 1.732 178.075 176.300 0.071 0.000 1.001 630 D CA 1.627 55.735 54.000 0.180 0.000 0.841 630 D CB -0.077 40.828 40.800 0.176 0.000 0.949 630 D HN 0.455 nan 8.370 nan 0.000 0.446 631 K N -0.135 120.328 120.400 0.105 0.000 2.148 631 K HA -0.065 4.258 4.320 0.005 0.000 0.204 631 K C 1.974 178.603 176.600 0.048 0.000 1.050 631 K CA 0.464 56.807 56.287 0.094 0.000 0.942 631 K CB 0.098 32.709 32.500 0.185 0.000 0.724 631 K HN 0.153 nan 8.250 nan 0.000 0.446 632 I N 1.323 121.901 120.570 0.013 0.000 2.202 632 I HA -0.242 3.931 4.170 0.005 0.000 0.242 632 I C 2.263 178.389 176.117 0.015 0.000 1.091 632 I CA 1.197 62.447 61.300 -0.083 0.000 1.368 632 I CB -0.925 36.885 38.000 -0.316 0.000 1.058 632 I HN 0.092 nan 8.210 nan 0.000 0.410 633 I N 1.184 121.712 120.570 -0.071 0.000 2.208 633 I HA -0.275 3.899 4.170 0.005 0.000 0.245 633 I C 2.098 178.159 176.117 -0.093 0.000 1.097 633 I CA 1.611 62.812 61.300 -0.164 0.000 1.363 633 I CB -1.256 36.315 38.000 -0.715 0.000 1.051 633 I HN 0.218 nan 8.210 nan 0.000 0.413 634 D N 0.650 121.008 120.400 -0.070 0.000 2.219 634 D HA -0.124 4.520 4.640 0.005 0.000 0.205 634 D C 2.195 178.467 176.300 -0.048 0.000 0.970 634 D CA 0.801 54.776 54.000 -0.042 0.000 0.851 634 D CB -0.069 40.725 40.800 -0.010 0.000 0.943 634 D HN 0.314 nan 8.370 nan 0.000 0.488 635 K N 0.175 120.552 120.400 -0.039 0.000 2.148 635 K HA -0.072 4.252 4.320 0.005 0.000 0.204 635 K C 2.036 178.581 176.600 -0.092 0.000 1.050 635 K CA 0.847 57.110 56.287 -0.039 0.000 0.942 635 K CB 0.256 32.753 32.500 -0.006 0.000 0.724 635 K HN 0.135 nan 8.250 nan 0.000 0.446 636 V N -2.478 117.338 119.914 -0.164 0.000 2.649 636 V HA 0.227 4.350 4.120 0.005 0.000 0.248 636 V C 0.802 176.702 176.094 -0.324 0.000 1.054 636 V CA 0.390 62.498 62.300 -0.320 0.000 1.073 636 V CB -0.690 30.750 31.823 -0.638 0.000 0.699 636 V HN 0.316 nan 8.190 nan 0.000 0.463 637 G N 0.394 109.057 108.800 -0.228 0.000 3.055 637 G HA2 -0.157 3.807 3.960 0.005 0.000 0.686 637 G HA3 -0.157 3.807 3.960 0.005 0.000 0.686 637 G C -0.085 174.709 174.900 -0.176 0.000 1.087 637 G CA 0.139 45.137 45.100 -0.171 0.000 0.779 637 G HN 0.388 nan 8.290 nan 0.000 0.599 638 E N 0.451 120.640 120.200 -0.019 0.000 2.204 638 E HA -0.105 4.249 4.350 0.005 0.000 0.195 638 E C 2.629 179.291 176.600 0.103 0.000 0.990 638 E CA 1.665 58.143 56.400 0.130 0.000 0.821 638 E CB 0.021 29.779 29.700 0.098 0.000 0.750 638 E HN 0.810 nan 8.360 nan 0.000 0.477 639 S N -0.281 115.411 115.700 -0.014 0.000 2.522 639 S HA -0.023 4.450 4.470 0.005 0.000 0.227 639 S C 1.584 176.140 174.600 -0.075 0.000 0.986 639 S CA 0.427 58.618 58.200 -0.015 0.000 0.929 639 S CB 0.087 63.272 63.200 -0.026 0.000 0.769 639 S HN 0.005 nan 8.310 nan 0.000 0.529 640 K N 0.564 120.817 120.400 -0.245 0.000 2.418 640 K HA 0.348 4.671 4.320 0.005 0.000 0.195 640 K C -0.381 176.018 176.600 -0.334 0.000 1.035 640 K CA 0.035 56.108 56.287 -0.357 0.000 1.003 640 K CB -0.160 32.006 32.500 -0.557 0.000 0.793 640 K HN 0.462 nan 8.250 nan 0.000 0.494 641 F N 0.283 120.251 119.950 0.031 0.000 2.404 641 F HA 0.250 4.779 4.527 0.004 0.000 0.345 641 F C 1.476 177.420 175.800 0.239 0.000 1.110 641 F CA -0.641 57.467 58.000 0.179 0.000 1.130 641 F CB 1.188 40.245 39.000 0.095 0.000 1.129 641 F HN -0.226 nan 8.300 nan 0.000 0.500 642 R N 0.649 121.464 120.500 0.524 0.000 2.075 642 R HA -0.054 4.290 4.340 0.005 0.000 0.232 642 R C -0.481 175.921 176.300 0.169 0.000 1.126 642 R CA 1.492 57.712 56.100 0.200 0.000 0.963 642 R CB -0.217 30.092 30.300 0.014 0.000 0.858 642 R HN 0.796 nan 8.270 nan 0.000 0.435 643 D N -4.184 116.334 120.400 0.196 0.000 2.768 643 D HA 0.101 4.744 4.640 0.005 0.000 0.327 643 D C 0.210 176.501 176.300 -0.016 0.000 1.302 643 D CA -0.680 53.369 54.000 0.082 0.000 0.897 643 D CB 0.312 41.116 40.800 0.006 0.000 1.420 643 D HN -0.321 nan 8.370 nan 0.000 0.494 644 T N -0.619 113.812 114.554 -0.205 0.000 2.684 644 T HA -0.147 4.207 4.350 0.005 0.000 0.267 644 T C 1.428 175.508 174.700 -1.033 0.000 1.036 644 T CA 1.464 63.142 62.100 -0.704 0.000 1.148 644 T CB -0.512 67.802 68.868 -0.924 0.000 0.863 644 T HN 0.402 nan 8.240 nan 0.000 0.436 645 N N 0.409 118.772 118.700 -0.562 0.000 2.192 645 N HA -0.140 4.603 4.740 0.005 0.000 0.188 645 N C 1.661 177.017 175.510 -0.257 0.000 1.013 645 N CA 1.120 53.934 53.050 -0.394 0.000 0.863 645 N CB -0.374 38.012 38.487 -0.168 0.000 0.990 645 N HN 0.643 nan 8.380 nan 0.000 0.430 646 H N -0.357 118.555 119.070 -0.264 0.000 2.299 646 H HA -0.122 4.439 4.556 0.007 0.000 0.302 646 H C 2.202 177.473 175.328 -0.095 0.000 1.078 646 H CA 1.455 57.475 56.048 -0.046 0.000 1.323 646 H CB -0.139 29.721 29.762 0.163 0.000 1.381 646 H HN 0.441 nan 8.280 nan 0.000 0.498 647 W N 0.800 121.763 121.300 -0.561 0.000 2.425 647 W HA -0.036 4.628 4.660 0.006 0.000 0.277 647 W C 1.363 177.681 176.519 -0.335 0.000 1.231 647 W CA 0.631 57.382 57.345 -0.991 0.000 1.248 647 W CB -0.945 27.521 29.460 -1.655 0.000 1.117 647 W HN 0.006 nan 8.180 nan 0.000 0.568 648 V N 2.361 121.858 119.914 -0.694 0.000 2.295 648 V HA -0.308 3.816 4.120 0.005 0.000 0.246 648 V C 2.333 178.366 176.094 -0.102 0.000 1.049 648 V CA 2.511 64.528 62.300 -0.472 0.000 1.024 648 V CB -1.008 30.410 31.823 -0.675 0.000 0.648 648 V HN -0.024 nan 8.190 nan 0.000 0.447 649 D N -0.361 120.007 120.400 -0.053 0.000 2.123 649 D HA -0.199 4.444 4.640 0.005 0.000 0.196 649 D C 1.886 178.281 176.300 0.160 0.000 0.992 649 D CA 1.458 55.501 54.000 0.072 0.000 0.833 649 D CB -0.335 40.545 40.800 0.133 0.000 0.954 649 D HN 0.462 nan 8.370 nan 0.000 0.455 650 F N 1.343 121.333 119.950 0.066 0.000 2.102 650 F HA -0.131 4.399 4.527 0.005 0.000 0.298 650 F C 2.147 178.044 175.800 0.161 0.000 1.105 650 F CA 1.200 59.277 58.000 0.128 0.000 1.239 650 F CB -0.435 38.659 39.000 0.158 0.000 0.991 650 F HN -0.110 nan 8.300 nan 0.000 0.474 651 L N 0.096 121.332 121.223 0.021 0.000 2.046 651 L HA -0.204 4.139 4.340 0.005 0.000 0.208 651 L C 2.232 179.136 176.870 0.057 0.000 1.077 651 L CA 1.794 56.631 54.840 -0.004 0.000 0.747 651 L CB -0.946 41.226 42.059 0.189 0.000 0.896 651 L HN 0.217 nan 8.230 nan 0.000 0.432 652 D N 0.444 120.876 120.400 0.052 0.000 2.104 652 D HA -0.272 4.372 4.640 0.005 0.000 0.194 652 D C 2.200 178.522 176.300 0.036 0.000 0.994 652 D CA 1.619 55.641 54.000 0.036 0.000 0.830 652 D CB 0.082 40.895 40.800 0.020 0.000 0.959 652 D HN 0.052 nan 8.370 nan 0.000 0.452 653 K N -1.321 119.099 120.400 0.034 0.000 2.057 653 K HA -0.128 4.195 4.320 0.005 0.000 0.206 653 K C 2.140 178.749 176.600 0.014 0.000 1.050 653 K CA 0.906 57.212 56.287 0.030 0.000 0.935 653 K CB -0.400 32.138 32.500 0.063 0.000 0.715 653 K HN 0.203 nan 8.250 nan 0.000 0.439 654 F N 1.017 120.850 119.950 -0.194 0.000 2.134 654 F HA -0.205 4.325 4.527 0.005 0.000 0.299 654 F C 1.998 177.785 175.800 -0.021 0.000 1.097 654 F CA 1.571 59.461 58.000 -0.182 0.000 1.264 654 F CB -0.262 38.510 39.000 -0.380 0.000 1.001 654 F HN 0.081 nan 8.300 nan 0.000 0.479 655 A N 0.411 123.319 122.820 0.147 0.000 1.877 655 A HA -0.220 4.103 4.320 0.005 0.000 0.216 655 A C 2.335 179.973 177.584 0.089 0.000 1.186 655 A CA 1.855 54.020 52.037 0.214 0.000 0.620 655 A CB -0.845 18.297 19.000 0.237 0.000 0.822 655 A HN 0.474 nan 8.150 nan 0.000 0.443 656 R N -0.474 120.047 120.500 0.034 0.000 2.073 656 R HA -0.065 4.279 4.340 0.005 0.000 0.229 656 R C 1.836 178.108 176.300 -0.046 0.000 1.120 656 R CA 1.584 57.690 56.100 0.009 0.000 0.967 656 R CB -0.152 30.153 30.300 0.008 0.000 0.862 656 R HN 0.646 nan 8.270 nan 0.000 0.436 657 E N -1.005 119.147 120.200 -0.080 0.000 2.340 657 E HA 0.001 4.354 4.350 0.005 0.000 0.194 657 E C 1.726 178.227 176.600 -0.165 0.000 0.996 657 E CA 0.263 56.607 56.400 -0.093 0.000 0.869 657 E CB 0.494 30.163 29.700 -0.052 0.000 0.835 657 E HN 0.163 nan 8.360 nan 0.000 0.493 658 R N -0.404 119.913 120.500 -0.304 0.000 2.197 658 R HA 0.271 4.614 4.340 0.005 0.000 0.188 658 R C 2.109 178.115 176.300 -0.489 0.000 1.015 658 R CA 0.419 56.277 56.100 -0.402 0.000 1.132 658 R CB -0.353 29.525 30.300 -0.703 0.000 1.134 658 R HN 0.124 nan 8.270 nan 0.000 0.560 659 M N 0.906 120.210 119.600 -0.493 0.000 2.160 659 M HA -0.019 4.464 4.480 0.005 0.000 0.264 659 M C 1.883 177.938 176.300 -0.410 0.000 1.073 659 M CA 1.583 56.597 55.300 -0.476 0.000 1.142 659 M CB -0.206 32.224 32.600 -0.283 0.000 1.358 659 M HN 0.124 nan 8.290 nan 0.000 0.422 660 E N 0.119 120.206 120.200 -0.188 0.000 2.085 660 E HA -0.187 4.166 4.350 0.005 0.000 0.194 660 E C -0.771 175.756 176.600 -0.122 0.000 0.994 660 E CA 1.246 57.596 56.400 -0.083 0.000 0.801 660 E CB -1.039 28.685 29.700 0.041 0.000 0.743 660 E HN 0.373 nan 8.360 nan 0.000 0.453 661 P HA -0.154 nan 4.420 nan 0.000 0.217 661 P C 1.052 178.216 177.300 -0.227 0.000 1.150 661 P CA 1.734 64.742 63.100 -0.154 0.000 0.832 661 P CB 0.010 31.618 31.700 -0.153 0.000 0.787 662 A N -0.674 121.890 122.820 -0.428 0.000 1.902 662 A HA -0.178 4.145 4.320 0.005 0.000 0.217 662 A C 2.202 179.566 177.584 -0.367 0.000 1.181 662 A CA 1.450 53.157 52.037 -0.551 0.000 0.623 662 A CB -1.643 16.609 19.000 -1.248 0.000 0.818 662 A HN 0.107 nan 8.150 nan 0.000 0.443 663 I N -0.494 119.880 120.570 -0.327 0.000 2.179 663 I HA -0.249 3.924 4.170 0.005 0.000 0.242 663 I C 2.262 178.366 176.117 -0.022 0.000 1.088 663 I CA 1.886 63.058 61.300 -0.214 0.000 1.357 663 I CB -0.382 37.519 38.000 -0.165 0.000 1.051 663 I HN 0.350 nan 8.210 nan 0.000 0.409 664 D N 0.670 121.103 120.400 0.056 0.000 2.117 664 D HA -0.171 4.472 4.640 0.005 0.000 0.197 664 D C 2.373 178.707 176.300 0.057 0.000 0.987 664 D CA 1.310 55.416 54.000 0.177 0.000 0.829 664 D CB 0.098 40.990 40.800 0.155 0.000 0.961 664 D HN 0.110 nan 8.370 nan 0.000 0.460 665 R N -0.429 120.051 120.500 -0.032 0.000 2.081 665 R HA -0.041 4.302 4.340 0.005 0.000 0.235 665 R C 2.472 178.762 176.300 -0.017 0.000 1.131 665 R CA 1.237 57.307 56.100 -0.049 0.000 0.960 665 R CB -0.590 29.663 30.300 -0.078 0.000 0.856 665 R HN 0.230 nan 8.270 nan 0.000 0.436 666 G N 0.469 109.246 108.800 -0.038 0.000 2.440 666 G HA2 -0.247 3.716 3.960 0.005 0.000 0.218 666 G HA3 -0.247 3.716 3.960 0.005 0.000 0.218 666 G C 1.084 176.099 174.900 0.193 0.000 1.154 666 G CA 0.561 45.689 45.100 0.046 0.000 0.767 666 G HN 0.156 nan 8.290 nan 0.000 0.552 667 F N 0.867 120.892 119.950 0.125 0.000 2.259 667 F HA 0.175 4.705 4.527 0.005 0.000 0.298 667 F C 2.846 178.556 175.800 -0.151 0.000 1.088 667 F CA 0.632 58.645 58.000 0.022 0.000 1.358 667 F CB -0.253 38.845 39.000 0.163 0.000 1.040 667 F HN 0.004 nan 8.300 nan 0.000 0.505 668 R N 0.013 120.440 120.500 -0.121 0.000 2.096 668 R HA -0.192 4.152 4.340 0.005 0.000 0.235 668 R C 2.146 178.401 176.300 -0.074 0.000 1.127 668 R CA 1.569 57.502 56.100 -0.278 0.000 0.968 668 R CB -0.484 29.647 30.300 -0.283 0.000 0.861 668 R HN 0.357 nan 8.270 nan 0.000 0.440 669 E N 0.788 120.998 120.200 0.018 0.000 2.072 669 E HA -0.212 4.141 4.350 0.005 0.000 0.191 669 E C 2.023 178.631 176.600 0.012 0.000 0.985 669 E CA 1.004 57.455 56.400 0.085 0.000 0.801 669 E CB 0.021 29.851 29.700 0.217 0.000 0.750 669 E HN 0.225 nan 8.360 nan 0.000 0.452 670 M N 0.287 119.769 119.600 -0.196 0.000 2.117 670 M HA -0.171 4.312 4.480 0.005 0.000 0.262 670 M C 2.533 178.686 176.300 -0.245 0.000 1.065 670 M CA 1.409 56.304 55.300 -0.676 0.000 1.114 670 M CB -0.281 31.602 32.600 -1.195 0.000 1.361 670 M HN 0.402 nan 8.290 nan 0.000 0.408 671 C N 1.691 120.946 119.300 -0.076 0.000 2.413 671 C HA -0.193 4.270 4.460 0.005 0.000 0.276 671 C C 2.652 177.648 174.990 0.011 0.000 1.236 671 C CA 1.921 60.950 59.018 0.018 0.000 1.735 671 C CB -1.233 26.545 27.740 0.064 0.000 2.031 671 C HN 0.751 nan 8.230 nan 0.000 0.474 672 E N -1.201 119.008 120.200 0.015 0.000 2.106 672 E HA -0.268 4.085 4.350 0.005 0.000 0.192 672 E C 2.134 178.782 176.600 0.081 0.000 0.984 672 E CA 1.372 57.794 56.400 0.037 0.000 0.806 672 E CB -0.975 28.746 29.700 0.034 0.000 0.750 672 E HN 0.731 nan 8.360 nan 0.000 0.458 673 Y N 1.573 121.825 120.300 -0.081 0.000 2.165 673 Y HA -0.099 4.454 4.550 0.005 0.000 0.286 673 Y C 2.071 177.914 175.900 -0.096 0.000 1.155 673 Y CA 1.338 59.392 58.100 -0.077 0.000 1.164 673 Y CB -0.059 38.330 38.460 -0.118 0.000 0.978 673 Y HN 0.014 nan 8.280 nan 0.000 0.513 674 M N 0.272 119.787 119.600 -0.142 0.000 2.561 674 M HA 0.012 4.495 4.480 0.005 0.000 0.238 674 M C 0.699 176.944 176.300 -0.092 0.000 1.131 674 M CA 0.591 55.773 55.300 -0.197 0.000 1.046 674 M CB -1.543 31.017 32.600 -0.067 0.000 1.532 674 M HN 0.361 nan 8.290 nan 0.000 0.497 675 N N 2.398 121.071 118.700 -0.045 0.000 2.721 675 N HA -0.212 4.531 4.740 0.005 0.000 0.249 675 N C -0.805 174.706 175.510 0.002 0.000 1.072 675 N CA 0.389 53.428 53.050 -0.019 0.000 0.710 675 N CB -1.445 37.020 38.487 -0.037 0.000 0.993 675 N HN 0.540 nan 8.380 nan 0.000 0.547 676 N N 0.158 118.862 118.700 0.006 0.000 2.399 676 N HA 0.050 4.794 4.740 0.005 0.000 0.250 676 N C 1.259 176.763 175.510 -0.010 0.000 1.272 676 N CA -0.092 52.952 53.050 -0.010 0.000 0.928 676 N CB 0.561 39.031 38.487 -0.028 0.000 1.158 676 N HN 0.256 nan 8.380 nan 0.000 0.463 677 K N 0.363 120.744 120.400 -0.033 0.000 2.057 677 K HA -0.094 4.229 4.320 0.005 0.000 0.206 677 K C 0.086 176.675 176.600 -0.019 0.000 1.050 677 K CA 1.265 57.541 56.287 -0.019 0.000 0.935 677 K CB 0.237 32.717 32.500 -0.032 0.000 0.715 677 K HN 0.538 nan 8.250 nan 0.000 0.439 678 Q N -0.154 119.619 119.800 -0.044 0.000 2.295 678 Q HA 0.034 4.377 4.340 0.005 0.000 0.268 678 Q C -1.909 174.067 176.000 -0.041 0.000 1.010 678 Q CA -0.717 55.070 55.803 -0.026 0.000 0.856 678 Q CB 1.306 30.011 28.738 -0.054 0.000 1.349 678 Q HN 0.293 nan 8.270 nan 0.000 0.412 679 H N 4.774 123.806 119.070 -0.064 0.000 2.955 679 H HA 0.232 4.791 4.556 0.005 0.000 0.290 679 H C -0.564 174.616 175.328 -0.246 0.000 1.047 679 H CA 0.759 56.750 56.048 -0.095 0.000 1.484 679 H CB 0.223 29.996 29.762 0.018 0.000 1.501 679 H HN 0.634 nan 8.280 nan 0.000 0.521 680 L N 4.960 125.649 121.223 -0.890 0.000 3.429 680 L HA 0.199 4.542 4.340 0.005 0.000 0.311 680 L C -0.364 175.584 176.870 -1.537 0.000 1.274 680 L CA -0.180 53.822 54.840 -1.396 0.000 1.037 680 L CB 0.332 41.919 42.059 -0.787 0.000 1.433 680 L HN 0.612 nan 8.230 nan 0.000 0.614 681 M N 1.552 120.448 119.600 -1.174 0.000 2.497 681 M HA 0.273 4.757 4.480 0.005 0.000 0.336 681 M C -1.081 174.874 176.300 -0.575 0.000 1.378 681 M CA 0.232 55.009 55.300 -0.871 0.000 1.375 681 M CB -0.487 31.504 32.600 -1.015 0.000 1.337 681 M HN -0.111 nan 8.290 nan 0.000 0.461 682 F N 3.485 123.273 119.950 -0.270 0.000 2.325 682 F HA 0.485 5.016 4.527 0.006 0.000 0.369 682 F C 0.291 176.087 175.800 -0.006 0.000 1.095 682 F CA -1.136 56.810 58.000 -0.090 0.000 1.082 682 F CB 0.706 39.658 39.000 -0.079 0.000 1.289 682 F HN 0.445 nan 8.300 nan 0.000 0.462 683 M N 4.635 124.407 119.600 0.288 0.000 2.066 683 M HA 0.418 4.901 4.480 0.005 0.000 0.340 683 M C -1.457 175.023 176.300 0.299 0.000 1.053 683 M CA -0.215 55.255 55.300 0.284 0.000 0.983 683 M CB 0.407 33.245 32.600 0.397 0.000 1.520 683 M HN 0.371 nan 8.290 nan 0.000 0.428 684 D N 3.477 124.027 120.400 0.250 0.000 2.272 684 D HA 0.337 4.980 4.640 0.005 0.000 0.247 684 D C -0.420 175.986 176.300 0.178 0.000 0.990 684 D CA -0.433 53.697 54.000 0.216 0.000 0.931 684 D CB 1.334 42.199 40.800 0.108 0.000 1.195 684 D HN 0.529 nan 8.370 nan 0.000 0.477 685 R N 1.385 121.911 120.500 0.044 0.000 2.538 685 R HA -0.044 4.299 4.340 0.005 0.000 0.282 685 R C 0.512 176.660 176.300 -0.253 0.000 1.009 685 R CA 0.617 56.457 56.100 -0.433 0.000 1.063 685 R CB 0.609 30.666 30.300 -0.404 0.000 0.945 685 R HN 0.652 nan 8.270 nan 0.000 0.414 686 E N 2.688 122.702 120.200 -0.310 0.000 2.098 686 E HA 0.231 4.585 4.350 0.005 0.000 0.196 686 E C -0.550 175.981 176.600 -0.114 0.000 0.955 686 E CA 0.172 56.483 56.400 -0.149 0.000 0.936 686 E CB 0.318 29.955 29.700 -0.105 0.000 1.054 686 E HN 0.688 nan 8.360 nan 0.000 0.482 687 A N 0.890 123.650 122.820 -0.099 0.000 2.324 687 A HA 0.612 4.935 4.320 0.005 0.000 0.330 687 A C -0.809 176.803 177.584 0.045 0.000 1.165 687 A CA -0.544 51.505 52.037 0.021 0.000 0.813 687 A CB 0.711 19.789 19.000 0.130 0.000 1.197 687 A HN 0.359 nan 8.150 nan 0.000 0.484 688 I N 1.743 122.396 120.570 0.138 0.000 2.355 688 I HA 0.557 4.730 4.170 0.005 0.000 0.288 688 I C 0.346 176.728 176.117 0.440 0.000 0.999 688 I CA -0.109 61.349 61.300 0.263 0.000 1.163 688 I CB 1.725 39.861 38.000 0.226 0.000 1.316 688 I HN 0.716 nan 8.210 nan 0.000 0.454 689 A N 4.660 127.790 122.820 0.517 0.000 2.401 689 A HA 1.019 5.342 4.320 0.005 0.000 0.310 689 A C -0.273 177.722 177.584 0.685 0.000 1.075 689 A CA -0.503 51.872 52.037 0.563 0.000 0.746 689 A CB 1.867 21.088 19.000 0.368 0.000 1.277 689 A HN 0.863 nan 8.150 nan 0.000 0.425 690 G N 0.554 109.804 108.800 0.750 0.000 2.338 690 G HA2 0.590 4.553 3.960 0.005 0.000 0.295 690 G HA3 0.590 4.553 3.960 0.005 0.000 0.295 690 G C -3.577 171.684 174.900 0.602 0.000 1.461 690 G CA -0.608 44.753 45.100 0.435 0.000 0.817 690 G HN 0.592 nan 8.290 nan 0.000 0.556 691 P HA 0.386 nan 4.420 nan 0.000 0.276 691 P C -2.745 174.883 177.300 0.548 0.000 1.244 691 P CA -1.430 61.859 63.100 0.314 0.000 0.801 691 P CB 0.377 32.118 31.700 0.067 0.000 1.006 692 P HA 0.063 nan 4.420 nan 0.000 0.266 692 P C 0.244 177.732 177.300 0.313 0.000 1.195 692 P CA 0.161 63.550 63.100 0.482 0.000 0.768 692 P CB 0.248 32.203 31.700 0.425 0.000 0.838 693 L N 3.056 124.458 121.223 0.297 0.000 2.540 693 L HA 0.057 4.400 4.340 0.005 0.000 0.276 693 L C 1.470 178.447 176.870 0.178 0.000 1.212 693 L CA 1.371 56.374 54.840 0.272 0.000 0.893 693 L CB -0.637 41.596 42.059 0.290 0.000 1.138 693 L HN 0.839 nan 8.230 nan 0.000 0.491 694 G N 2.285 111.173 108.800 0.147 0.000 2.176 694 G HA2 -0.295 3.668 3.960 0.005 0.000 0.253 694 G HA3 -0.295 3.668 3.960 0.005 0.000 0.253 694 G C 0.293 175.249 174.900 0.094 0.000 0.979 694 G CA 0.415 45.580 45.100 0.108 0.000 0.641 694 G HN 0.857 nan 8.290 nan 0.000 0.530 695 S N -0.953 114.812 115.700 0.108 0.000 2.707 695 S HA 0.699 5.172 4.470 0.005 0.000 0.276 695 S C 0.760 175.401 174.600 0.068 0.000 1.179 695 S CA 0.028 58.284 58.200 0.094 0.000 0.992 695 S CB 1.583 64.858 63.200 0.124 0.000 1.030 695 S HN 0.253 nan 8.310 nan 0.000 0.554 696 K N 0.174 120.608 120.400 0.057 0.000 2.397 696 K HA 0.243 4.566 4.320 0.005 0.000 0.202 696 K C 0.926 177.548 176.600 0.037 0.000 1.022 696 K CA -0.057 56.252 56.287 0.038 0.000 1.141 696 K CB 0.004 32.521 32.500 0.030 0.000 0.857 696 K HN 0.724 nan 8.250 nan 0.000 0.514 697 G N 1.380 110.213 108.800 0.055 0.000 2.554 697 G HA2 0.084 4.047 3.960 0.005 0.000 0.238 697 G HA3 0.084 4.047 3.960 0.005 0.000 0.238 697 G C 0.817 175.736 174.900 0.032 0.000 1.259 697 G CA -0.418 44.717 45.100 0.058 0.000 0.843 697 G HN 0.369 nan 8.290 nan 0.000 0.582 698 I N -0.448 120.147 120.570 0.042 0.000 3.728 698 I HA 0.356 4.529 4.170 0.005 0.000 0.307 698 I C 1.677 177.817 176.117 0.038 0.000 1.276 698 I CA 0.519 61.837 61.300 0.031 0.000 1.285 698 I CB 0.157 38.189 38.000 0.054 0.000 1.038 698 I HN 0.804 nan 8.210 nan 0.000 0.445 699 G N 1.381 110.217 108.800 0.059 0.000 2.990 699 G HA2 -0.211 3.752 3.960 0.005 0.000 0.225 699 G HA3 -0.211 3.752 3.960 0.005 0.000 0.225 699 G C 0.507 175.479 174.900 0.120 0.000 1.304 699 G CA -0.004 45.143 45.100 0.078 0.000 0.816 699 G HN 1.170 nan 8.290 nan 0.000 0.528 700 G N -1.088 107.813 108.800 0.169 0.000 2.576 700 G HA2 0.854 4.817 3.960 0.005 0.000 0.290 700 G HA3 0.854 4.817 3.960 0.005 0.000 0.290 700 G C -1.038 174.065 174.900 0.337 0.000 1.442 700 G CA 0.043 45.242 45.100 0.165 0.000 0.792 700 G HN 1.759 nan 8.290 nan 0.000 0.491 701 F N -2.165 117.862 119.950 0.128 0.000 2.678 701 F HA 0.811 5.341 4.527 0.005 0.000 0.308 701 F C -1.860 174.035 175.800 0.158 0.000 1.118 701 F CA -1.983 56.162 58.000 0.243 0.000 0.959 701 F CB 1.452 40.503 39.000 0.085 0.000 1.305 701 F HN 0.543 nan 8.300 nan 0.000 0.443 702 W N 2.328 123.812 121.300 0.307 0.000 2.632 702 W HA 0.353 5.016 4.660 0.005 0.000 0.328 702 W C 0.312 176.981 176.519 0.249 0.000 1.044 702 W CA -0.198 57.216 57.345 0.115 0.000 1.225 702 W CB 2.754 32.188 29.460 -0.045 0.000 1.396 702 W HN 0.894 nan 8.180 nan 0.000 0.499 703 T N -0.387 114.371 114.554 0.341 0.000 3.015 703 T HA 0.433 4.786 4.350 0.005 0.000 0.250 703 T C 0.571 175.399 174.700 0.213 0.000 1.057 703 T CA 0.765 63.037 62.100 0.286 0.000 1.066 703 T CB 1.026 70.062 68.868 0.280 0.000 0.959 703 T HN 0.561 nan 8.240 nan 0.000 0.488 704 G N 0.436 109.358 108.800 0.203 0.000 2.321 704 G HA2 0.374 4.338 3.960 0.005 0.000 0.296 704 G HA3 0.374 4.338 3.960 0.005 0.000 0.296 704 G C -1.862 173.134 174.900 0.160 0.000 1.287 704 G CA -1.206 43.994 45.100 0.167 0.000 0.846 704 G HN 0.269 nan 8.290 nan 0.000 0.508 705 K N 0.863 121.368 120.400 0.175 0.000 2.489 705 K HA 0.208 4.531 4.320 0.005 0.000 0.278 705 K C 0.245 176.963 176.600 0.196 0.000 1.000 705 K CA 0.713 57.154 56.287 0.255 0.000 1.012 705 K CB 0.290 32.916 32.500 0.209 0.000 0.903 705 K HN 0.620 nan 8.250 nan 0.000 0.485 706 K N 1.254 121.828 120.400 0.290 0.000 3.088 706 K HA -0.260 4.063 4.320 0.005 0.000 0.273 706 K C -0.604 176.010 176.600 0.023 0.000 1.111 706 K CA 1.006 57.417 56.287 0.208 0.000 0.803 706 K CB -0.895 31.695 32.500 0.152 0.000 1.226 706 K HN 0.566 nan 8.250 nan 0.000 0.485 707 R N 0.397 120.883 120.500 -0.023 0.000 2.625 707 R HA 0.279 4.622 4.340 0.005 0.000 0.286 707 R C -1.197 174.887 176.300 -0.361 0.000 1.406 707 R CA -0.738 55.261 56.100 -0.169 0.000 1.052 707 R CB 0.842 31.130 30.300 -0.020 0.000 1.203 707 R HN 0.248 nan 8.270 nan 0.000 0.502 708 Y N -0.953 118.859 120.300 -0.814 0.000 2.656 708 Y HA 0.835 5.388 4.550 0.005 0.000 0.334 708 Y C -1.809 173.379 175.900 -1.188 0.000 1.179 708 Y CA -1.414 55.880 58.100 -1.344 0.000 1.050 708 Y CB 1.343 38.284 38.460 -2.532 0.000 1.308 708 Y HN 0.371 nan 8.280 nan 0.000 0.456 709 A N 2.148 124.218 122.820 -1.250 0.000 2.455 709 A HA 0.850 5.173 4.320 0.005 0.000 0.300 709 A C -2.076 175.148 177.584 -0.600 0.000 1.040 709 A CA -0.793 50.681 52.037 -0.939 0.000 0.697 709 A CB 1.355 19.716 19.000 -1.064 0.000 1.265 709 A HN 0.794 nan 8.150 nan 0.000 0.407 710 L N 1.463 122.494 121.223 -0.321 0.000 2.431 710 L HA 0.433 4.776 4.340 0.005 0.000 0.266 710 L C -0.464 176.356 176.870 -0.083 0.000 0.978 710 L CA -0.902 53.876 54.840 -0.103 0.000 0.822 710 L CB 2.448 44.541 42.059 0.056 0.000 1.310 710 L HN 0.784 nan 8.230 nan 0.000 0.409 711 N N 1.853 120.535 118.700 -0.029 0.000 2.439 711 N HA 0.344 5.087 4.740 0.005 0.000 0.243 711 N C -1.135 174.294 175.510 -0.135 0.000 1.088 711 N CA -0.182 52.798 53.050 -0.116 0.000 0.940 711 N CB 0.870 39.316 38.487 -0.069 0.000 1.180 711 N HN 0.263 nan 8.380 nan 0.000 0.505 712 V N 4.123 123.924 119.914 -0.188 0.000 2.427 712 V HA 0.277 4.400 4.120 0.005 0.000 0.286 712 V C 0.215 176.248 176.094 -0.102 0.000 1.034 712 V CA -0.460 61.833 62.300 -0.011 0.000 0.893 712 V CB 1.274 33.182 31.823 0.141 0.000 0.982 712 V HN 0.774 nan 8.190 nan 0.000 0.452 713 W N 0.517 121.943 121.300 0.211 0.000 2.842 713 W HA 0.320 4.983 4.660 0.005 0.000 0.267 713 W C 0.662 177.192 176.519 0.018 0.000 1.219 713 W CA -0.076 57.357 57.345 0.146 0.000 1.458 713 W CB 0.685 30.116 29.460 -0.048 0.000 1.006 713 W HN 0.463 nan 8.180 nan 0.000 0.603 714 D N 0.410 120.896 120.400 0.143 0.000 2.964 714 D HA 0.286 4.929 4.640 0.005 0.000 0.234 714 D C -1.510 174.724 176.300 -0.110 0.000 1.223 714 D CA -0.421 53.508 54.000 -0.119 0.000 0.889 714 D CB 1.755 42.525 40.800 -0.051 0.000 1.609 714 D HN -0.196 nan 8.370 nan 0.000 0.523 715 M N 3.261 122.704 119.600 -0.262 0.000 2.151 715 M HA 0.253 4.736 4.480 0.005 0.000 0.290 715 M C -0.358 175.871 176.300 -0.118 0.000 0.965 715 M CA 0.022 55.257 55.300 -0.108 0.000 0.930 715 M CB 1.049 33.662 32.600 0.022 0.000 1.560 715 M HN 0.452 nan 8.290 nan 0.000 0.438 716 E N 3.403 123.556 120.200 -0.078 0.000 2.440 716 E HA -0.251 4.103 4.350 0.005 0.000 0.246 716 E C 0.708 177.260 176.600 -0.081 0.000 1.165 716 E CA 1.093 57.453 56.400 -0.067 0.000 0.726 716 E CB -1.573 28.101 29.700 -0.043 0.000 1.271 716 E HN 1.346 nan 8.360 nan 0.000 0.397 717 G N -0.861 107.880 108.800 -0.099 0.000 2.175 717 G HA2 -0.295 3.668 3.960 0.005 0.000 0.244 717 G HA3 -0.295 3.668 3.960 0.005 0.000 0.244 717 G C 0.275 175.099 174.900 -0.126 0.000 0.982 717 G CA 0.355 45.400 45.100 -0.093 0.000 0.641 717 G HN 0.255 nan 8.290 nan 0.000 0.527 718 T N 1.043 115.479 114.554 -0.196 0.000 2.727 718 T HA 0.529 4.882 4.350 0.005 0.000 0.298 718 T C 0.295 174.742 174.700 -0.423 0.000 0.942 718 T CA -0.241 61.696 62.100 -0.270 0.000 0.997 718 T CB 1.373 70.069 68.868 -0.286 0.000 0.917 718 T HN 0.422 nan 8.240 nan 0.000 0.487 719 R N 3.377 123.728 120.500 -0.247 0.000 2.196 719 R HA 0.294 4.637 4.340 0.005 0.000 0.340 719 R C -1.127 175.118 176.300 -0.092 0.000 1.043 719 R CA -0.555 55.439 56.100 -0.177 0.000 0.883 719 R CB -0.316 29.950 30.300 -0.056 0.000 1.078 719 R HN 0.463 nan 8.270 nan 0.000 0.462 720 Y N 2.577 122.918 120.300 0.068 0.000 2.411 720 Y HA 0.160 4.713 4.550 0.005 0.000 0.333 720 Y C 1.554 177.510 175.900 0.093 0.000 1.186 720 Y CA 0.166 58.298 58.100 0.053 0.000 1.381 720 Y CB 0.843 39.309 38.460 0.011 0.000 1.273 720 Y HN 0.776 nan 8.280 nan 0.000 0.546 721 A N 1.935 124.911 122.820 0.261 0.000 1.933 721 A HA -0.074 4.250 4.320 0.005 0.000 0.218 721 A C 0.574 178.294 177.584 0.227 0.000 1.175 721 A CA 1.319 53.494 52.037 0.230 0.000 0.628 721 A CB -0.152 18.969 19.000 0.202 0.000 0.814 721 A HN 0.668 nan 8.150 nan 0.000 0.444 722 E N -0.428 119.868 120.200 0.160 0.000 2.266 722 E HA 0.379 4.733 4.350 0.005 0.000 0.268 722 E C -2.928 173.618 176.600 -0.089 0.000 0.879 722 E CA -2.574 53.862 56.400 0.060 0.000 0.762 722 E CB 1.387 31.093 29.700 0.010 0.000 1.199 722 E HN 0.112 nan 8.360 nan 0.000 0.422 723 P HA 0.008 nan 4.420 nan 0.000 0.266 723 P C -0.492 176.506 177.300 -0.504 0.000 1.195 723 P CA 0.179 62.878 63.100 -0.669 0.000 0.768 723 P CB 0.846 31.777 31.700 -1.282 0.000 0.838 724 K N 3.230 123.306 120.400 -0.540 0.000 2.292 724 K HA 0.383 4.706 4.320 0.005 0.000 0.257 724 K C -0.374 176.021 176.600 -0.342 0.000 0.940 724 K CA -0.814 55.160 56.287 -0.523 0.000 0.811 724 K CB 0.767 32.725 32.500 -0.903 0.000 1.120 724 K HN 0.405 nan 8.250 nan 0.000 0.428 725 L N 4.434 125.491 121.223 -0.277 0.000 2.361 725 L HA 0.201 4.544 4.340 0.005 0.000 0.278 725 L C 0.297 177.048 176.870 -0.199 0.000 1.113 725 L CA -0.021 54.686 54.840 -0.222 0.000 0.849 725 L CB 0.455 42.392 42.059 -0.204 0.000 1.155 725 L HN 0.505 nan 8.230 nan 0.000 0.452 726 K N 5.793 126.089 120.400 -0.173 0.000 2.299 726 K HA 0.494 4.817 4.320 0.005 0.000 0.268 726 K C -0.928 175.493 176.600 -0.298 0.000 1.075 726 K CA -0.378 55.811 56.287 -0.162 0.000 0.936 726 K CB 0.461 32.936 32.500 -0.041 0.000 1.228 726 K HN 0.521 nan 8.250 nan 0.000 0.454 727 I N 5.328 125.696 120.570 -0.337 0.000 2.362 727 I HA 0.319 4.492 4.170 0.005 0.000 0.289 727 I C -0.555 175.261 176.117 -0.501 0.000 0.994 727 I CA -0.876 60.139 61.300 -0.475 0.000 1.158 727 I CB 1.620 39.395 38.000 -0.375 0.000 1.315 727 I HN 0.396 nan 8.210 nan 0.000 0.451 728 M N 4.396 123.526 119.600 -0.783 0.000 2.243 728 M HA 0.443 4.927 4.480 0.005 0.000 0.324 728 M C 0.910 176.894 176.300 -0.528 0.000 1.031 728 M CA -0.625 54.270 55.300 -0.675 0.000 0.949 728 M CB 0.810 32.842 32.600 -0.947 0.000 1.615 728 M HN 0.903 nan 8.290 nan 0.000 0.430 729 G N 2.456 111.088 108.800 -0.280 0.000 2.396 729 G HA2 -0.227 3.736 3.960 0.005 0.000 0.242 729 G HA3 -0.227 3.736 3.960 0.005 0.000 0.242 729 G C 0.218 175.052 174.900 -0.110 0.000 1.069 729 G CA -0.005 44.999 45.100 -0.160 0.000 0.633 729 G HN 0.583 nan 8.290 nan 0.000 0.517 730 L N 0.430 121.554 121.223 -0.165 0.000 2.479 730 L HA 0.310 4.653 4.340 0.005 0.000 0.270 730 L C 1.917 178.808 176.870 0.035 0.000 1.236 730 L CA -0.042 54.775 54.840 -0.039 0.000 0.823 730 L CB 0.193 42.116 42.059 -0.226 0.000 1.098 730 L HN 0.097 nan 8.230 nan 0.000 0.500 731 E N 0.105 120.412 120.200 0.178 0.000 2.267 731 E HA -0.178 4.176 4.350 0.005 0.000 0.197 731 E C 1.918 178.567 176.600 0.082 0.000 0.998 731 E CA 1.588 58.059 56.400 0.118 0.000 0.830 731 E CB -0.251 29.521 29.700 0.121 0.000 0.751 731 E HN 0.863 nan 8.360 nan 0.000 0.491 732 T N -1.353 113.247 114.554 0.077 0.000 2.929 732 T HA -0.156 4.198 4.350 0.005 0.000 0.271 732 T C 1.395 176.095 174.700 0.001 0.000 1.085 732 T CA 0.839 62.957 62.100 0.030 0.000 1.125 732 T CB -0.024 68.835 68.868 -0.015 0.000 0.874 732 T HN 0.008 nan 8.240 nan 0.000 0.494 733 Q N 0.522 120.309 119.800 -0.022 0.000 2.319 733 Q HA 0.321 4.664 4.340 0.005 0.000 0.202 733 Q C 0.070 176.065 176.000 -0.008 0.000 0.896 733 Q CA 0.327 56.112 55.803 -0.030 0.000 0.942 733 Q CB 0.389 29.081 28.738 -0.077 0.000 1.083 733 Q HN 0.585 nan 8.270 nan 0.000 0.510 734 K N 0.946 121.347 120.400 0.002 0.000 2.213 734 K HA 0.184 4.507 4.320 0.005 0.000 0.270 734 K C 0.986 177.588 176.600 0.004 0.000 1.002 734 K CA -0.044 56.243 56.287 0.001 0.000 0.868 734 K CB 1.335 33.835 32.500 0.001 0.000 1.093 734 K HN -0.025 nan 8.250 nan 0.000 0.454 735 S N 0.479 116.173 115.700 -0.009 0.000 2.469 735 S HA -0.165 4.308 4.470 0.005 0.000 0.238 735 S C 1.619 176.202 174.600 -0.028 0.000 0.998 735 S CA 1.353 59.541 58.200 -0.020 0.000 0.957 735 S CB -0.278 62.894 63.200 -0.047 0.000 0.764 735 S HN 0.601 nan 8.310 nan 0.000 0.514 736 S N 0.679 116.361 115.700 -0.030 0.000 2.461 736 S HA 0.038 4.512 4.470 0.005 0.000 0.228 736 S C 0.819 175.416 174.600 -0.006 0.000 1.005 736 S CA 0.256 58.433 58.200 -0.037 0.000 0.942 736 S CB -0.917 62.252 63.200 -0.052 0.000 0.776 736 S HN 0.452 nan 8.310 nan 0.000 0.514 737 T N 4.828 119.390 114.554 0.013 0.000 2.851 737 T HA 0.355 4.708 4.350 0.005 0.000 0.298 737 T C -2.636 172.096 174.700 0.053 0.000 0.977 737 T CA -1.077 61.044 62.100 0.036 0.000 1.126 737 T CB 0.861 69.756 68.868 0.046 0.000 0.916 737 T HN 0.134 nan 8.240 nan 0.000 0.529 738 P HA 0.072 nan 4.420 nan 0.000 0.265 738 P C 1.014 178.362 177.300 0.079 0.000 1.187 738 P CA -0.315 62.826 63.100 0.068 0.000 0.766 738 P CB 0.602 32.351 31.700 0.082 0.000 0.820 739 K N 2.654 123.098 120.400 0.074 0.000 2.032 739 K HA -0.174 4.149 4.320 0.005 0.000 0.209 739 K C 1.832 178.483 176.600 0.085 0.000 1.048 739 K CA 2.151 58.489 56.287 0.084 0.000 0.927 739 K CB -0.929 31.622 32.500 0.086 0.000 0.712 739 K HN 0.508 nan 8.250 nan 0.000 0.441 740 A N 0.648 123.528 122.820 0.099 0.000 2.015 740 A HA -0.072 4.252 4.320 0.005 0.000 0.219 740 A C 2.390 180.052 177.584 0.130 0.000 1.163 740 A CA 1.159 53.277 52.037 0.135 0.000 0.646 740 A CB -0.299 18.809 19.000 0.180 0.000 0.806 740 A HN 0.083 nan 8.150 nan 0.000 0.448 741 V N -0.287 119.704 119.914 0.129 0.000 2.407 741 V HA -0.263 3.860 4.120 0.005 0.000 0.245 741 V C 2.542 178.691 176.094 0.092 0.000 1.041 741 V CA 1.961 64.326 62.300 0.108 0.000 1.040 741 V CB -0.873 31.052 31.823 0.169 0.000 0.671 741 V HN 0.615 nan 8.190 nan 0.000 0.455 742 Q N 0.128 119.980 119.800 0.087 0.000 2.077 742 Q HA -0.303 4.041 4.340 0.005 0.000 0.206 742 Q C 2.374 178.406 176.000 0.053 0.000 0.989 742 Q CA 2.192 58.039 55.803 0.074 0.000 0.853 742 Q CB -0.292 28.484 28.738 0.065 0.000 0.907 742 Q HN 0.568 nan 8.270 nan 0.000 0.418 743 K N 0.288 120.714 120.400 0.044 0.000 2.026 743 K HA -0.178 4.146 4.320 0.005 0.000 0.208 743 K C 2.078 178.685 176.600 0.012 0.000 1.048 743 K CA 1.264 57.569 56.287 0.029 0.000 0.929 743 K CB -0.176 32.354 32.500 0.051 0.000 0.713 743 K HN 0.188 nan 8.250 nan 0.000 0.439 744 A N 1.248 124.037 122.820 -0.053 0.000 1.902 744 A HA -0.119 4.204 4.320 0.005 0.000 0.217 744 A C 2.141 179.788 177.584 0.105 0.000 1.181 744 A CA 1.289 53.234 52.037 -0.154 0.000 0.623 744 A CB -0.613 17.704 19.000 -1.137 0.000 0.818 744 A HN 0.337 nan 8.150 nan 0.000 0.443 745 L N -0.829 120.495 121.223 0.168 0.000 2.141 745 L HA -0.169 4.174 4.340 0.005 0.000 0.209 745 L C 2.615 179.569 176.870 0.140 0.000 1.094 745 L CA 1.761 56.739 54.840 0.229 0.000 0.763 745 L CB -0.328 41.883 42.059 0.253 0.000 0.908 745 L HN 0.470 nan 8.230 nan 0.000 0.437 746 K N 0.258 120.691 120.400 0.054 0.000 2.057 746 K HA -0.248 4.075 4.320 0.005 0.000 0.206 746 K C 2.071 178.635 176.600 -0.060 0.000 1.050 746 K CA 1.504 57.779 56.287 -0.020 0.000 0.935 746 K CB 0.111 32.587 32.500 -0.040 0.000 0.715 746 K HN 0.043 nan 8.250 nan 0.000 0.439 747 E N 0.493 120.636 120.200 -0.094 0.000 2.106 747 E HA -0.148 4.206 4.350 0.005 0.000 0.192 747 E C 1.737 178.208 176.600 -0.216 0.000 0.984 747 E CA 1.434 57.682 56.400 -0.253 0.000 0.806 747 E CB -0.415 28.968 29.700 -0.529 0.000 0.750 747 E HN 0.368 nan 8.360 nan 0.000 0.458 748 C N -0.034 119.249 119.300 -0.030 0.000 2.413 748 C HA -0.072 4.391 4.460 0.005 0.000 0.276 748 C C 2.603 177.628 174.990 0.058 0.000 1.236 748 C CA 0.791 59.865 59.018 0.093 0.000 1.735 748 C CB -1.015 26.847 27.740 0.204 0.000 2.031 748 C HN 0.480 nan 8.230 nan 0.000 0.474 749 I N 0.202 120.802 120.570 0.051 0.000 2.179 749 I HA -0.211 3.962 4.170 0.005 0.000 0.242 749 I C 2.867 178.986 176.117 0.005 0.000 1.088 749 I CA 1.442 62.769 61.300 0.045 0.000 1.357 749 I CB -0.626 37.353 38.000 -0.034 0.000 1.051 749 I HN 0.320 nan 8.210 nan 0.000 0.409 750 R N 1.194 121.662 120.500 -0.053 0.000 2.083 750 R HA -0.199 4.144 4.340 0.005 0.000 0.237 750 R C 2.488 178.764 176.300 -0.040 0.000 1.137 750 R CA 1.738 57.795 56.100 -0.072 0.000 0.951 750 R CB -0.134 30.100 30.300 -0.110 0.000 0.851 750 R HN 0.297 nan 8.270 nan 0.000 0.434 751 R N -0.285 120.190 120.500 -0.043 0.000 2.075 751 R HA -0.079 4.264 4.340 0.005 0.000 0.232 751 R C 2.458 178.774 176.300 0.027 0.000 1.126 751 R CA 1.890 57.985 56.100 -0.009 0.000 0.963 751 R CB -0.255 30.040 30.300 -0.007 0.000 0.858 751 R HN 0.273 nan 8.270 nan 0.000 0.435 752 M N 0.400 120.022 119.600 0.038 0.000 2.065 752 M HA -0.205 4.278 4.480 0.005 0.000 0.259 752 M C 2.143 178.481 176.300 0.064 0.000 1.069 752 M CA 1.805 57.133 55.300 0.047 0.000 1.110 752 M CB -0.273 32.353 32.600 0.043 0.000 1.328 752 M HN 0.143 nan 8.290 nan 0.000 0.405 753 L N -1.114 120.152 121.223 0.073 0.000 2.240 753 L HA -0.146 4.197 4.340 0.005 0.000 0.211 753 L C 2.114 179.026 176.870 0.071 0.000 1.106 753 L CA 1.071 55.957 54.840 0.076 0.000 0.793 753 L CB -0.529 41.557 42.059 0.045 0.000 0.927 753 L HN 0.437 nan 8.230 nan 0.000 0.446 754 Q N -0.970 118.863 119.800 0.055 0.000 2.402 754 Q HA 0.034 4.377 4.340 0.005 0.000 0.231 754 Q C 1.278 177.329 176.000 0.085 0.000 0.888 754 Q CA 0.350 56.201 55.803 0.080 0.000 0.938 754 Q CB 0.779 29.541 28.738 0.041 0.000 1.086 754 Q HN 0.483 nan 8.270 nan 0.000 0.543 755 E N -0.530 119.706 120.200 0.059 0.000 2.399 755 E HA 0.272 4.626 4.350 0.005 0.000 0.206 755 E C 0.454 177.085 176.600 0.050 0.000 0.812 755 E CA 0.355 56.789 56.400 0.057 0.000 1.138 755 E CB 1.556 31.284 29.700 0.046 0.000 1.140 755 E HN 0.226 nan 8.360 nan 0.000 0.536 756 G N 1.454 110.281 108.800 0.045 0.000 2.422 756 G HA2 -0.237 3.726 3.960 0.005 0.000 0.607 756 G HA3 -0.237 3.726 3.960 0.005 0.000 0.607 756 G C 0.118 175.039 174.900 0.036 0.000 1.270 756 G CA -0.068 45.053 45.100 0.035 0.000 0.992 756 G HN 0.118 nan 8.290 nan 0.000 0.499 757 E N -0.392 119.822 120.200 0.023 0.000 2.051 757 E HA -0.164 4.189 4.350 0.005 0.000 0.192 757 E C 2.106 178.731 176.600 0.041 0.000 0.991 757 E CA 1.753 58.165 56.400 0.021 0.000 0.799 757 E CB -0.083 29.616 29.700 -0.002 0.000 0.748 757 E HN 0.575 nan 8.360 nan 0.000 0.449 758 E N -0.152 120.071 120.200 0.038 0.000 2.077 758 E HA -0.189 4.164 4.350 0.005 0.000 0.193 758 E C 2.037 178.685 176.600 0.081 0.000 0.989 758 E CA 1.242 57.672 56.400 0.050 0.000 0.800 758 E CB -0.130 29.590 29.700 0.033 0.000 0.746 758 E HN 0.117 nan 8.360 nan 0.000 0.452 759 S N 0.159 115.906 115.700 0.080 0.000 2.368 759 S HA -0.116 4.358 4.470 0.005 0.000 0.225 759 S C 1.932 176.621 174.600 0.148 0.000 1.030 759 S CA 0.876 59.136 58.200 0.101 0.000 0.999 759 S CB -0.345 62.899 63.200 0.074 0.000 0.844 759 S HN 0.440 nan 8.310 nan 0.000 0.459 760 L N 1.260 122.564 121.223 0.135 0.000 2.046 760 L HA -0.124 4.219 4.340 0.005 0.000 0.208 760 L C 2.316 179.345 176.870 0.265 0.000 1.077 760 L CA 2.018 56.970 54.840 0.186 0.000 0.747 760 L CB -1.274 40.858 42.059 0.122 0.000 0.896 760 L HN 0.486 nan 8.230 nan 0.000 0.432 761 Q N -0.246 119.674 119.800 0.199 0.000 2.124 761 Q HA -0.239 4.104 4.340 0.005 0.000 0.202 761 Q C 1.998 178.162 176.000 0.273 0.000 0.977 761 Q CA 1.960 57.898 55.803 0.224 0.000 0.850 761 Q CB -0.029 28.783 28.738 0.124 0.000 0.901 761 Q HN 0.618 nan 8.270 nan 0.000 0.429 762 E N -0.413 119.921 120.200 0.223 0.000 2.072 762 E HA -0.199 4.154 4.350 0.005 0.000 0.191 762 E C 1.613 178.361 176.600 0.246 0.000 0.985 762 E CA 0.900 57.421 56.400 0.202 0.000 0.801 762 E CB -0.078 29.719 29.700 0.163 0.000 0.750 762 E HN 0.379 nan 8.360 nan 0.000 0.452 763 Y N 0.026 120.436 120.300 0.183 0.000 2.220 763 Y HA -0.226 4.327 4.550 0.006 0.000 0.291 763 Y C 2.068 178.127 175.900 0.266 0.000 1.129 763 Y CA 1.285 59.499 58.100 0.191 0.000 1.161 763 Y CB -0.083 38.478 38.460 0.168 0.000 0.997 763 Y HN 0.030 nan 8.280 nan 0.000 0.522 764 F N 1.282 121.397 119.950 0.274 0.000 2.095 764 F HA -0.233 4.297 4.527 0.005 0.000 0.298 764 F C 2.446 178.364 175.800 0.196 0.000 1.104 764 F CA 2.246 60.420 58.000 0.291 0.000 1.232 764 F CB -0.519 38.684 39.000 0.339 0.000 0.987 764 F HN -0.092 nan 8.300 nan 0.000 0.475 765 K N -0.050 120.457 120.400 0.178 0.000 2.063 765 K HA -0.276 4.048 4.320 0.005 0.000 0.208 765 K C 2.110 178.648 176.600 -0.104 0.000 1.048 765 K CA 1.940 58.249 56.287 0.038 0.000 0.928 765 K CB -0.263 32.318 32.500 0.136 0.000 0.713 765 K HN 0.263 nan 8.250 nan 0.000 0.442 766 E N -0.024 120.114 120.200 -0.103 0.000 2.072 766 E HA -0.129 4.225 4.350 0.005 0.000 0.190 766 E C 1.656 178.120 176.600 -0.228 0.000 0.982 766 E CA 1.060 57.367 56.400 -0.155 0.000 0.803 766 E CB -0.297 29.312 29.700 -0.151 0.000 0.755 766 E HN 0.350 nan 8.360 nan 0.000 0.453 767 F N 1.289 120.948 119.950 -0.485 0.000 2.102 767 F HA -0.142 4.388 4.527 0.005 0.000 0.298 767 F C 2.269 177.847 175.800 -0.371 0.000 1.105 767 F CA 1.925 59.627 58.000 -0.498 0.000 1.239 767 F CB -0.041 38.557 39.000 -0.670 0.000 0.991 767 F HN 0.090 nan 8.300 nan 0.000 0.474 768 E N 0.228 120.166 120.200 -0.438 0.000 2.118 768 E HA -0.313 4.040 4.350 0.005 0.000 0.195 768 E C 2.119 178.655 176.600 -0.107 0.000 0.992 768 E CA 1.446 57.623 56.400 -0.373 0.000 0.804 768 E CB -0.095 29.291 29.700 -0.524 0.000 0.741 768 E HN 0.320 nan 8.360 nan 0.000 0.458 769 K N 0.059 120.360 120.400 -0.165 0.000 2.103 769 K HA -0.099 4.224 4.320 0.005 0.000 0.204 769 K C 1.572 178.064 176.600 -0.180 0.000 1.052 769 K CA 1.420 57.628 56.287 -0.131 0.000 0.945 769 K CB 0.328 32.757 32.500 -0.118 0.000 0.722 769 K HN 0.056 nan 8.250 nan 0.000 0.443 770 E N -0.679 119.381 120.200 -0.233 0.000 2.473 770 E HA -0.011 4.342 4.350 0.005 0.000 0.204 770 E C 1.490 177.861 176.600 -0.382 0.000 0.994 770 E CA 0.012 56.246 56.400 -0.275 0.000 0.945 770 E CB 0.108 29.682 29.700 -0.209 0.000 0.990 770 E HN 0.405 nan 8.360 nan 0.000 0.493 771 F N 1.786 121.354 119.950 -0.637 0.000 2.333 771 F HA 0.018 4.548 4.527 0.005 0.000 0.300 771 F C 1.775 177.345 175.800 -0.384 0.000 1.083 771 F CA 0.711 58.271 58.000 -0.733 0.000 1.395 771 F CB -0.385 37.890 39.000 -1.207 0.000 1.056 771 F HN -0.199 nan 8.300 nan 0.000 0.529 772 R N 0.508 120.211 120.500 -1.328 0.000 2.285 772 R HA -0.060 4.283 4.340 0.005 0.000 0.213 772 R C 1.694 177.598 176.300 -0.661 0.000 1.068 772 R CA 1.160 56.488 56.100 -1.286 0.000 1.004 772 R CB -0.451 28.967 30.300 -1.470 0.000 0.873 772 R HN 0.517 nan 8.270 nan 0.000 0.467 773 Q N 0.129 119.675 119.800 -0.423 0.000 2.424 773 Q HA 0.106 4.449 4.340 0.005 0.000 0.204 773 Q C 0.004 175.943 176.000 -0.101 0.000 0.933 773 Q CA 0.117 55.784 55.803 -0.227 0.000 0.929 773 Q CB 0.328 28.950 28.738 -0.193 0.000 1.037 773 Q HN 0.264 nan 8.270 nan 0.000 0.511 774 L N 2.098 123.277 121.223 -0.073 0.000 2.456 774 L HA 0.004 4.347 4.340 0.005 0.000 0.272 774 L C 0.720 177.642 176.870 0.087 0.000 1.189 774 L CA -0.322 54.534 54.840 0.026 0.000 0.846 774 L CB 0.159 42.261 42.059 0.070 0.000 1.111 774 L HN 0.265 nan 8.230 nan 0.000 0.475 775 N N 2.039 120.787 118.700 0.080 0.000 2.412 775 N HA -0.150 4.594 4.740 0.005 0.000 0.254 775 N C 0.971 176.555 175.510 0.123 0.000 1.232 775 N CA 0.155 53.275 53.050 0.117 0.000 0.880 775 N CB 0.642 39.166 38.487 0.062 0.000 1.076 775 N HN 0.612 nan 8.380 nan 0.000 0.458 776 Y N 3.652 123.971 120.300 0.032 0.000 2.207 776 Y HA -0.141 4.412 4.550 0.005 0.000 0.287 776 Y C 1.915 177.829 175.900 0.024 0.000 1.156 776 Y CA 0.909 59.026 58.100 0.028 0.000 1.182 776 Y CB -0.224 38.235 38.460 -0.001 0.000 0.979 776 Y HN 0.499 nan 8.280 nan 0.000 0.521 777 I N 1.282 121.383 120.570 -0.782 0.000 2.315 777 I HA -0.271 3.902 4.170 0.005 0.000 0.248 777 I C 2.693 178.543 176.117 -0.444 0.000 1.117 777 I CA 1.683 62.520 61.300 -0.773 0.000 1.404 777 I CB -0.530 37.038 38.000 -0.720 0.000 1.071 777 I HN 0.502 nan 8.210 nan 0.000 0.419 778 S N 1.308 116.885 115.700 -0.205 0.000 2.474 778 S HA -0.067 4.407 4.470 0.005 0.000 0.235 778 S C 1.645 176.245 174.600 0.000 0.000 0.997 778 S CA 0.692 58.854 58.200 -0.064 0.000 0.949 778 S CB -0.611 62.593 63.200 0.006 0.000 0.766 778 S HN 0.663 nan 8.310 nan 0.000 0.517 779 I N -1.659 118.915 120.570 0.007 0.000 4.025 779 I HA 0.595 4.769 4.170 0.005 0.000 0.336 779 I C 0.588 176.736 176.117 0.053 0.000 1.390 779 I CA -0.787 60.563 61.300 0.083 0.000 1.099 779 I CB 0.040 38.142 38.000 0.171 0.000 1.049 779 I HN 0.217 nan 8.210 nan 0.000 0.394 780 A N 1.281 124.077 122.820 -0.039 0.000 2.354 780 A HA 0.636 4.959 4.320 0.005 0.000 0.269 780 A C 0.483 178.068 177.584 0.001 0.000 1.109 780 A CA -0.118 51.899 52.037 -0.034 0.000 0.800 780 A CB 0.421 19.293 19.000 -0.214 0.000 1.045 780 A HN 0.374 nan 8.150 nan 0.000 0.489 781 S N -0.136 115.592 115.700 0.046 0.000 2.614 781 S HA 0.502 4.975 4.470 0.005 0.000 0.265 781 S C -0.021 174.599 174.600 0.034 0.000 1.303 781 S CA -0.427 57.800 58.200 0.045 0.000 1.000 781 S CB 1.024 64.255 63.200 0.053 0.000 0.935 781 S HN 0.627 nan 8.310 nan 0.000 0.551 782 V N 1.082 120.989 119.914 -0.012 0.000 2.735 782 V HA 0.798 4.921 4.120 0.005 0.000 0.310 782 V C -0.280 175.729 176.094 -0.141 0.000 1.061 782 V CA -0.537 61.706 62.300 -0.096 0.000 0.913 782 V CB 1.981 33.736 31.823 -0.114 0.000 1.005 782 V HN 0.808 nan 8.190 nan 0.000 0.428 783 S N 1.859 117.440 115.700 -0.199 0.000 2.533 783 S HA 0.546 5.019 4.470 0.005 0.000 0.271 783 S C -0.480 173.987 174.600 -0.222 0.000 1.143 783 S CA -0.423 57.620 58.200 -0.261 0.000 0.891 783 S CB 1.990 64.908 63.200 -0.469 0.000 1.105 783 S HN 0.746 nan 8.310 nan 0.000 0.468 784 S N 2.180 117.768 115.700 -0.186 0.000 2.573 784 S HA 0.537 5.010 4.470 0.005 0.000 0.277 784 S C 0.026 174.600 174.600 -0.042 0.000 1.346 784 S CA 0.016 58.152 58.200 -0.106 0.000 1.034 784 S CB 0.792 63.952 63.200 -0.067 0.000 0.879 784 S HN 1.028 nan 8.310 nan 0.000 0.528 785 A N 3.685 126.520 122.820 0.025 0.000 2.466 785 A HA 0.555 4.878 4.320 0.005 0.000 0.291 785 A C -0.414 177.194 177.584 0.040 0.000 1.234 785 A CA -0.926 51.179 52.037 0.112 0.000 0.752 785 A CB 0.366 19.406 19.000 0.066 0.000 1.153 785 A HN 0.722 nan 8.150 nan 0.000 0.458 786 N N 1.519 120.243 118.700 0.040 0.000 2.404 786 N HA 0.376 5.120 4.740 0.005 0.000 0.297 786 N C -0.273 175.141 175.510 -0.160 0.000 1.163 786 N CA -0.587 52.418 53.050 -0.075 0.000 0.864 786 N CB 1.188 39.625 38.487 -0.083 0.000 1.247 786 N HN 0.624 nan 8.380 nan 0.000 0.510 787 N N 0.436 118.958 118.700 -0.296 0.000 2.735 787 N HA -0.176 4.568 4.740 0.005 0.000 0.248 787 N C 0.880 176.368 175.510 -0.036 0.000 1.083 787 N CA 0.169 53.069 53.050 -0.250 0.000 0.703 787 N CB -1.056 37.240 38.487 -0.318 0.000 1.005 787 N HN 0.585 nan 8.380 nan 0.000 0.550 788 I N 0.441 120.994 120.570 -0.029 0.000 2.208 788 I HA -0.295 3.879 4.170 0.005 0.000 0.245 788 I C 2.497 178.622 176.117 0.014 0.000 1.097 788 I CA 1.933 63.237 61.300 0.007 0.000 1.363 788 I CB -0.255 37.738 38.000 -0.012 0.000 1.051 788 I HN 0.384 nan 8.210 nan 0.000 0.413 789 A N 0.659 123.465 122.820 -0.022 0.000 1.933 789 A HA -0.266 4.057 4.320 0.005 0.000 0.218 789 A C 2.410 179.952 177.584 -0.069 0.000 1.175 789 A CA 1.927 53.945 52.037 -0.031 0.000 0.628 789 A CB -0.574 18.409 19.000 -0.028 0.000 0.814 789 A HN 0.397 nan 8.150 nan 0.000 0.444 790 K N -1.487 118.825 120.400 -0.146 0.000 2.063 790 K HA -0.186 4.137 4.320 0.005 0.000 0.208 790 K C 1.153 177.526 176.600 -0.378 0.000 1.048 790 K CA 1.882 57.978 56.287 -0.318 0.000 0.928 790 K CB -0.281 31.904 32.500 -0.526 0.000 0.713 790 K HN 0.614 nan 8.250 nan 0.000 0.442 791 Y N 0.107 120.373 120.300 -0.055 0.000 2.457 791 Y HA 0.117 4.670 4.550 0.005 0.000 0.263 791 Y C 0.083 175.967 175.900 -0.027 0.000 1.164 791 Y CA -0.529 57.545 58.100 -0.044 0.000 1.274 791 Y CB 0.510 38.928 38.460 -0.070 0.000 1.097 791 Y HN -0.003 nan 8.280 nan 0.000 0.523 792 D N 1.280 121.722 120.400 0.071 0.000 2.411 792 D HA 0.188 4.831 4.640 0.005 0.000 0.225 792 D C -0.931 175.396 176.300 0.046 0.000 1.156 792 D CA 0.136 54.164 54.000 0.048 0.000 0.874 792 D CB 0.906 41.716 40.800 0.018 0.000 1.034 792 D HN -0.139 nan 8.370 nan 0.000 0.502 793 V N 3.573 123.535 119.914 0.081 0.000 2.275 793 V HA 0.424 4.547 4.120 0.005 0.000 0.272 793 V C 1.255 177.433 176.094 0.140 0.000 1.028 793 V CA -0.358 61.995 62.300 0.088 0.000 0.810 793 V CB 0.910 32.785 31.823 0.085 0.000 1.043 793 V HN 0.795 nan 8.190 nan 0.000 0.453 794 G N 3.537 112.401 108.800 0.107 0.000 2.249 794 G HA2 0.011 3.974 3.960 0.005 0.000 0.273 794 G HA3 0.011 3.974 3.960 0.005 0.000 0.273 794 G C 1.130 176.120 174.900 0.149 0.000 1.036 794 G CA 0.618 45.801 45.100 0.139 0.000 0.824 794 G HN 2.163 nan 8.290 nan 0.000 0.504 795 G N -2.772 106.038 108.800 0.016 0.000 2.176 795 G HA2 -0.141 3.822 3.960 0.005 0.000 0.253 795 G HA3 -0.141 3.822 3.960 0.005 0.000 0.253 795 G C 0.229 174.881 174.900 -0.413 0.000 0.979 795 G CA 0.600 45.580 45.100 -0.199 0.000 0.641 795 G HN 1.288 nan 8.290 nan 0.000 0.530 796 F N 0.521 120.477 119.950 0.010 0.000 2.579 796 F HA 0.619 5.149 4.527 0.005 0.000 0.324 796 F C -2.193 173.616 175.800 0.015 0.000 1.058 796 F CA -2.671 55.334 58.000 0.008 0.000 0.944 796 F CB 1.901 40.904 39.000 0.005 0.000 1.245 796 F HN -0.237 nan 8.300 nan 0.000 0.477 797 P HA 0.139 nan 4.420 nan 0.000 0.266 797 P C 0.018 177.401 177.300 0.138 0.000 1.215 797 P CA 0.058 63.232 63.100 0.123 0.000 0.763 797 P CB 0.313 32.057 31.700 0.073 0.000 0.806 798 G N 4.891 113.785 108.800 0.156 0.000 2.588 798 G HA2 0.360 4.323 3.960 0.005 0.000 0.278 798 G HA3 0.360 4.323 3.960 0.005 0.000 0.278 798 G C -2.457 172.539 174.900 0.160 0.000 1.307 798 G CA -1.315 43.872 45.100 0.144 0.000 1.016 798 G HN 0.290 nan 8.290 nan 0.000 0.503 799 P HA 0.176 nan 4.420 nan 0.000 0.266 799 P C -0.146 177.269 177.300 0.192 0.000 1.195 799 P CA 0.196 63.369 63.100 0.122 0.000 0.768 799 P CB 0.483 32.234 31.700 0.086 0.000 0.838 800 K N -1.362 119.114 120.400 0.127 0.000 3.209 800 K HA -0.202 4.121 4.320 0.005 0.000 0.289 800 K C 0.025 176.602 176.600 -0.039 0.000 1.191 800 K CA 0.124 56.472 56.287 0.103 0.000 0.851 800 K CB -2.134 30.467 32.500 0.168 0.000 1.242 800 K HN 0.511 nan 8.250 nan 0.000 0.480 801 C N 2.015 121.263 119.300 -0.087 0.000 2.638 801 C HA 0.166 4.629 4.460 0.005 0.000 0.410 801 C C -1.541 173.209 174.990 -0.401 0.000 1.404 801 C CA -1.515 57.253 59.018 -0.417 0.000 1.651 801 C CB -0.481 27.176 27.740 -0.138 0.000 2.495 801 C HN 0.205 nan 8.230 nan 0.000 0.606 802 P HA 0.063 nan 4.420 nan 0.000 0.269 802 P C 0.524 177.708 177.300 -0.194 0.000 1.209 802 P CA -0.013 62.895 63.100 -0.320 0.000 0.776 802 P CB 0.245 31.685 31.700 -0.434 0.000 0.876 803 F N 2.710 122.598 119.950 -0.103 0.000 2.095 803 F HA -0.287 4.244 4.527 0.005 0.000 0.298 803 F C 2.460 178.241 175.800 -0.032 0.000 1.104 803 F CA 1.988 59.968 58.000 -0.034 0.000 1.232 803 F CB -0.367 38.653 39.000 0.033 0.000 0.987 803 F HN 0.493 nan 8.300 nan 0.000 0.475 804 H N -0.626 118.484 119.070 0.067 0.000 2.423 804 H HA -0.089 4.471 4.556 0.005 0.000 0.297 804 H C 2.190 177.454 175.328 -0.108 0.000 1.075 804 H CA 1.602 57.633 56.048 -0.028 0.000 1.342 804 H CB -0.967 28.798 29.762 0.006 0.000 1.395 804 H HN 0.256 nan 8.280 nan 0.000 0.530 805 I N 1.524 121.705 120.570 -0.649 0.000 2.286 805 I HA -0.152 4.021 4.170 0.005 0.000 0.245 805 I C 2.864 178.831 176.117 -0.251 0.000 1.104 805 I CA 0.767 61.811 61.300 -0.426 0.000 1.397 805 I CB -0.960 36.752 38.000 -0.480 0.000 1.072 805 I HN 0.218 nan 8.210 nan 0.000 0.417 806 R N 1.298 121.634 120.500 -0.273 0.000 2.103 806 R HA -0.177 4.166 4.340 0.005 0.000 0.242 806 R C 2.377 178.553 176.300 -0.206 0.000 1.142 806 R CA 1.940 57.909 56.100 -0.218 0.000 0.960 806 R CB -0.559 29.582 30.300 -0.265 0.000 0.858 806 R HN 0.383 nan 8.270 nan 0.000 0.439 807 G N 0.940 109.583 108.800 -0.261 0.000 2.440 807 G HA2 -0.242 3.721 3.960 0.005 0.000 0.218 807 G HA3 -0.242 3.721 3.960 0.005 0.000 0.218 807 G C 1.474 176.343 174.900 -0.051 0.000 1.154 807 G CA 1.003 46.001 45.100 -0.170 0.000 0.767 807 G HN 0.317 nan 8.290 nan 0.000 0.552 808 I N 0.359 120.897 120.570 -0.053 0.000 2.252 808 I HA -0.100 4.073 4.170 0.005 0.000 0.245 808 I C 2.641 178.792 176.117 0.056 0.000 1.102 808 I CA 0.623 61.932 61.300 0.016 0.000 1.385 808 I CB -0.154 37.832 38.000 -0.024 0.000 1.064 808 I HN 0.124 nan 8.210 nan 0.000 0.414 809 L N -0.189 121.020 121.223 -0.023 0.000 2.093 809 L HA -0.177 4.166 4.340 0.005 0.000 0.208 809 L C 2.582 179.407 176.870 -0.076 0.000 1.085 809 L CA 1.329 56.135 54.840 -0.056 0.000 0.755 809 L CB -1.065 40.944 42.059 -0.083 0.000 0.904 809 L HN 0.249 nan 8.230 nan 0.000 0.435 810 T N -1.064 113.461 114.554 -0.048 0.000 2.708 810 T HA -0.263 4.090 4.350 0.005 0.000 0.266 810 T C 1.722 176.444 174.700 0.037 0.000 1.037 810 T CA 1.604 63.690 62.100 -0.024 0.000 1.146 810 T CB -0.423 68.426 68.868 -0.032 0.000 0.865 810 T HN 0.308 nan 8.240 nan 0.000 0.435 811 Y N 2.865 123.132 120.300 -0.056 0.000 2.128 811 Y HA -0.224 4.330 4.550 0.005 0.000 0.284 811 Y C 2.223 178.123 175.900 -0.000 0.000 1.154 811 Y CA 1.474 59.564 58.100 -0.017 0.000 1.149 811 Y CB -0.571 37.904 38.460 0.024 0.000 0.976 811 Y HN 0.104 nan 8.280 nan 0.000 0.505 812 N N 0.357 119.069 118.700 0.019 0.000 2.149 812 N HA -0.168 4.575 4.740 0.005 0.000 0.188 812 N C 1.860 177.286 175.510 -0.140 0.000 1.019 812 N CA 1.677 54.680 53.050 -0.078 0.000 0.857 812 N CB -0.374 38.108 38.487 -0.009 0.000 0.997 812 N HN 0.452 nan 8.380 nan 0.000 0.426 813 R N 0.325 120.743 120.500 -0.138 0.000 2.092 813 R HA 0.088 4.431 4.340 0.005 0.000 0.231 813 R C 2.048 178.287 176.300 -0.102 0.000 1.119 813 R CA 1.143 57.154 56.100 -0.148 0.000 0.970 813 R CB -0.244 29.930 30.300 -0.210 0.000 0.864 813 R HN 0.187 nan 8.270 nan 0.000 0.440 814 A N 1.568 124.345 122.820 -0.071 0.000 2.014 814 A HA -0.077 4.246 4.320 0.005 0.000 0.218 814 A C 1.997 179.510 177.584 -0.118 0.000 1.163 814 A CA 1.036 53.062 52.037 -0.018 0.000 0.652 814 A CB -0.352 18.764 19.000 0.193 0.000 0.808 814 A HN 0.456 nan 8.150 nan 0.000 0.449 815 I N -3.750 116.672 120.570 -0.246 0.000 3.928 815 I HA 0.278 4.451 4.170 0.005 0.000 0.335 815 I C 0.572 176.602 176.117 -0.145 0.000 1.325 815 I CA -0.414 60.743 61.300 -0.239 0.000 1.107 815 I CB -0.035 37.714 38.000 -0.418 0.000 1.014 815 I HN -0.012 nan 8.210 nan 0.000 0.400 816 K N 2.436 122.764 120.400 -0.119 0.000 2.491 816 K HA 0.162 4.485 4.320 0.005 0.000 0.279 816 K C 1.244 177.812 176.600 -0.052 0.000 1.026 816 K CA 1.468 57.709 56.287 -0.077 0.000 1.070 816 K CB 0.087 32.545 32.500 -0.072 0.000 0.887 816 K HN 0.599 nan 8.250 nan 0.000 0.481 817 G N 3.327 112.107 108.800 -0.034 0.000 2.317 817 G HA2 -0.247 3.717 3.960 0.005 0.000 0.227 817 G HA3 -0.247 3.717 3.960 0.005 0.000 0.227 817 G C -0.068 174.825 174.900 -0.012 0.000 1.042 817 G CA -0.203 44.886 45.100 -0.019 0.000 0.623 817 G HN 0.700 nan 8.290 nan 0.000 0.509 818 N N 1.827 120.514 118.700 -0.022 0.000 2.416 818 N HA 0.261 5.004 4.740 0.005 0.000 0.265 818 N C 1.603 177.118 175.510 0.008 0.000 1.195 818 N CA 0.009 53.053 53.050 -0.010 0.000 0.943 818 N CB 0.614 39.088 38.487 -0.022 0.000 1.115 818 N HN 0.218 nan 8.380 nan 0.000 0.481 819 I N 1.446 122.028 120.570 0.019 0.000 2.761 819 I HA -0.151 4.022 4.170 0.005 0.000 0.261 819 I C 1.191 177.334 176.117 0.044 0.000 1.198 819 I CA 1.001 62.322 61.300 0.035 0.000 1.482 819 I CB -0.688 37.333 38.000 0.035 0.000 1.100 819 I HN 0.430 nan 8.210 nan 0.000 0.445 820 D N 1.342 121.763 120.400 0.035 0.000 2.367 820 D HA 0.141 4.784 4.640 0.005 0.000 0.207 820 D C 1.067 177.405 176.300 0.065 0.000 1.034 820 D CA -0.016 54.010 54.000 0.043 0.000 0.861 820 D CB -0.132 40.684 40.800 0.027 0.000 0.943 820 D HN 0.137 nan 8.370 nan 0.000 0.515 821 A N 1.340 124.195 122.820 0.059 0.000 2.511 821 A HA 0.396 4.719 4.320 0.005 0.000 0.242 821 A C -2.196 175.470 177.584 0.137 0.000 1.069 821 A CA -0.965 51.120 52.037 0.080 0.000 0.763 821 A CB -0.205 18.807 19.000 0.021 0.000 1.001 821 A HN 0.017 nan 8.150 nan 0.000 0.498 822 P HA 0.103 nan 4.420 nan 0.000 0.263 822 P C -0.580 176.883 177.300 0.270 0.000 1.195 822 P CA 0.257 63.486 63.100 0.215 0.000 0.762 822 P CB 0.450 32.289 31.700 0.231 0.000 0.799 823 Q N 1.806 121.713 119.800 0.179 0.000 2.235 823 Q HA 0.271 4.614 4.340 0.005 0.000 0.250 823 Q C -0.196 175.859 176.000 0.091 0.000 0.909 823 Q CA -0.803 55.100 55.803 0.167 0.000 0.910 823 Q CB 1.250 30.047 28.738 0.097 0.000 1.223 823 Q HN 0.196 nan 8.270 nan 0.000 0.432 824 V N 2.700 122.671 119.914 0.096 0.000 2.529 824 V HA 0.047 4.170 4.120 0.005 0.000 0.292 824 V C 0.227 176.302 176.094 -0.032 0.000 1.028 824 V CA -0.155 62.137 62.300 -0.013 0.000 1.074 824 V CB 0.841 32.653 31.823 -0.018 0.000 0.958 824 V HN 0.438 nan 8.190 nan 0.000 0.481 825 V N 4.596 124.463 119.914 -0.077 0.000 2.383 825 V HA 0.229 4.353 4.120 0.005 0.000 0.275 825 V C 0.342 176.394 176.094 -0.070 0.000 1.036 825 V CA -0.738 61.507 62.300 -0.092 0.000 0.889 825 V CB 1.395 33.130 31.823 -0.147 0.000 0.985 825 V HN 0.998 nan 8.190 nan 0.000 0.459 826 E N 4.167 124.338 120.200 -0.049 0.000 2.558 826 E HA 0.279 4.632 4.350 0.005 0.000 0.255 826 E C 1.221 177.803 176.600 -0.029 0.000 0.968 826 E CA 1.389 57.771 56.400 -0.030 0.000 0.939 826 E CB 0.074 29.765 29.700 -0.014 0.000 0.921 826 E HN 1.016 nan 8.360 nan 0.000 0.477 827 G N 3.486 112.275 108.800 -0.018 0.000 2.217 827 G HA2 -0.285 3.678 3.960 0.005 0.000 0.246 827 G HA3 -0.285 3.678 3.960 0.005 0.000 0.246 827 G C 0.328 175.203 174.900 -0.043 0.000 0.990 827 G CA 0.350 45.444 45.100 -0.011 0.000 0.627 827 G HN 0.569 nan 8.290 nan 0.000 0.522 828 E N -0.087 120.075 120.200 -0.063 0.000 3.262 828 E HA 0.639 4.992 4.350 0.005 0.000 0.257 828 E C 0.085 176.624 176.600 -0.102 0.000 1.195 828 E CA -0.727 55.623 56.400 -0.083 0.000 1.160 828 E CB 0.752 30.392 29.700 -0.100 0.000 1.416 828 E HN 0.216 nan 8.360 nan 0.000 0.630 829 K N 0.725 121.034 120.400 -0.151 0.000 2.203 829 K HA 0.460 4.783 4.320 0.005 0.000 0.251 829 K C -0.933 175.472 176.600 -0.324 0.000 0.944 829 K CA -0.658 55.498 56.287 -0.219 0.000 0.829 829 K CB 2.020 34.372 32.500 -0.247 0.000 1.125 829 K HN 0.285 nan 8.250 nan 0.000 0.430 830 V N -0.998 118.711 119.914 -0.341 0.000 2.914 830 V HA 0.488 4.612 4.120 0.005 0.000 0.314 830 V C -1.078 174.686 176.094 -0.550 0.000 1.084 830 V CA -1.065 60.966 62.300 -0.449 0.000 0.963 830 V CB 0.939 32.595 31.823 -0.279 0.000 1.025 830 V HN 0.526 nan 8.190 nan 0.000 0.432 831 Y N 1.731 121.554 120.300 -0.795 0.000 2.304 831 Y HA 0.686 5.239 4.550 0.005 0.000 0.327 831 Y C 0.401 175.870 175.900 -0.718 0.000 1.209 831 Y CA -0.666 56.866 58.100 -0.947 0.000 1.299 831 Y CB 1.582 38.973 38.460 -1.780 0.000 1.249 831 Y HN 0.570 nan 8.280 nan 0.000 0.519 832 V N 5.134 124.956 119.914 -0.154 0.000 2.577 832 V HA 0.470 4.593 4.120 0.005 0.000 0.303 832 V C -0.585 175.615 176.094 0.176 0.000 1.042 832 V CA -1.013 61.317 62.300 0.051 0.000 0.872 832 V CB 1.880 33.780 31.823 0.129 0.000 0.998 832 V HN 0.541 nan 8.190 nan 0.000 0.423 833 L N 6.444 127.828 121.223 0.269 0.000 2.381 833 L HA 0.622 4.965 4.340 0.005 0.000 0.268 833 L C -2.482 174.510 176.870 0.204 0.000 0.997 833 L CA -1.825 53.162 54.840 0.245 0.000 0.818 833 L CB 3.379 45.605 42.059 0.280 0.000 1.310 833 L HN 0.417 nan 8.230 nan 0.000 0.416 834 P HA 0.254 nan 4.420 nan 0.000 0.277 834 P C -1.277 176.112 177.300 0.149 0.000 1.240 834 P CA -0.463 62.776 63.100 0.231 0.000 0.798 834 P CB 1.482 33.327 31.700 0.241 0.000 0.979 835 L N 2.786 124.101 121.223 0.153 0.000 2.365 835 L HA 0.434 4.777 4.340 0.005 0.000 0.273 835 L C 0.959 177.955 176.870 0.210 0.000 1.000 835 L CA -0.775 54.171 54.840 0.177 0.000 0.819 835 L CB 1.196 43.342 42.059 0.145 0.000 1.284 835 L HN 0.328 nan 8.230 nan 0.000 0.418 836 R N 1.099 121.775 120.500 0.293 0.000 2.643 836 R HA 0.119 4.462 4.340 0.005 0.000 0.270 836 R C -0.073 176.393 176.300 0.277 0.000 1.061 836 R CA -0.440 55.841 56.100 0.302 0.000 1.107 836 R CB 0.543 31.063 30.300 0.367 0.000 0.999 836 R HN 0.559 nan 8.270 nan 0.000 0.460 837 E N 0.120 120.444 120.200 0.206 0.000 2.442 837 E HA 0.001 4.354 4.350 0.005 0.000 0.262 837 E C 0.647 177.327 176.600 0.134 0.000 1.004 837 E CA 1.242 57.724 56.400 0.137 0.000 0.928 837 E CB 0.338 30.108 29.700 0.117 0.000 0.937 837 E HN 0.749 nan 8.360 nan 0.000 0.446 838 G N 3.193 111.993 108.800 0.000 0.000 2.141 838 G HA2 -0.325 3.638 3.960 0.005 0.000 0.242 838 G HA3 -0.325 3.638 3.960 0.005 0.000 0.242 838 G C -0.154 174.436 174.900 -0.516 0.000 0.982 838 G CA 0.277 45.320 45.100 -0.096 0.000 0.662 838 G HN 0.797 nan 8.290 nan 0.000 0.527 839 N N 0.348 118.639 118.700 -0.681 0.000 2.444 839 N HA 0.543 5.286 4.740 0.005 0.000 0.255 839 N C -0.681 174.364 175.510 -0.774 0.000 1.255 839 N CA -1.060 51.212 53.050 -1.296 0.000 0.933 839 N CB 0.993 39.104 38.487 -0.627 0.000 1.143 839 N HN 0.074 nan 8.380 nan 0.000 0.453 840 P HA -0.030 nan 4.420 nan 0.000 0.237 840 P C 0.092 177.078 177.300 -0.523 0.000 1.178 840 P CA 0.795 63.533 63.100 -0.604 0.000 0.766 840 P CB -0.051 31.263 31.700 -0.644 0.000 0.876 841 F N 0.219 120.028 119.950 -0.235 0.000 2.710 841 F HA 0.285 4.815 4.527 0.005 0.000 0.298 841 F C 1.970 177.717 175.800 -0.088 0.000 1.137 841 F CA 0.939 58.861 58.000 -0.130 0.000 1.444 841 F CB -0.914 38.029 39.000 -0.094 0.000 1.111 841 F HN 0.041 nan 8.300 nan 0.000 0.580 842 G N 0.263 109.081 108.800 0.031 0.000 2.153 842 G HA2 -0.258 3.705 3.960 0.005 0.000 0.252 842 G HA3 -0.258 3.705 3.960 0.005 0.000 0.252 842 G C -0.249 174.699 174.900 0.081 0.000 0.994 842 G CA 0.478 45.605 45.100 0.044 0.000 0.698 842 G HN 0.378 nan 8.290 nan 0.000 0.521 843 D N -1.580 118.865 120.400 0.074 0.000 2.665 843 D HA 0.333 4.977 4.640 0.005 0.000 0.287 843 D C 1.224 177.547 176.300 0.038 0.000 1.266 843 D CA -0.137 53.895 54.000 0.053 0.000 0.830 843 D CB 0.573 41.396 40.800 0.038 0.000 1.356 843 D HN 0.140 nan 8.370 nan 0.000 0.437 844 K N -0.881 119.531 120.400 0.020 0.000 2.444 844 K HA 0.247 4.571 4.320 0.005 0.000 0.193 844 K C 0.435 177.050 176.600 0.026 0.000 1.024 844 K CA 0.053 56.376 56.287 0.060 0.000 1.077 844 K CB -0.427 32.145 32.500 0.120 0.000 0.833 844 K HN 0.420 nan 8.250 nan 0.000 0.517 845 C N -1.377 117.860 119.300 -0.106 0.000 3.307 845 C HA 0.747 5.211 4.460 0.005 0.000 0.333 845 C C -1.187 173.710 174.990 -0.154 0.000 1.291 845 C CA -1.385 57.537 59.018 -0.160 0.000 1.273 845 C CB 0.710 28.125 27.740 -0.542 0.000 1.580 845 C HN 0.397 nan 8.230 nan 0.000 0.481 846 I N 1.324 121.845 120.570 -0.082 0.000 2.769 846 I HA 0.791 4.964 4.170 0.005 0.000 0.298 846 I C -0.389 175.800 176.117 0.120 0.000 1.128 846 I CA -0.397 60.879 61.300 -0.041 0.000 1.031 846 I CB 2.115 39.993 38.000 -0.202 0.000 1.235 846 I HN 1.329 nan 8.210 nan 0.000 0.423 847 A N 5.471 128.369 122.820 0.131 0.000 2.435 847 A HA 0.853 5.176 4.320 0.005 0.000 0.304 847 A C -1.902 175.703 177.584 0.035 0.000 1.064 847 A CA -0.458 51.640 52.037 0.101 0.000 0.727 847 A CB 1.108 20.086 19.000 -0.036 0.000 1.284 847 A HN 0.871 nan 8.150 nan 0.000 0.415 848 W N 0.420 121.532 121.300 -0.314 0.000 3.075 848 W HA 0.724 5.387 4.660 0.005 0.000 0.334 848 W C -3.362 172.961 176.519 -0.326 0.000 1.243 848 W CA -2.708 54.289 57.345 -0.581 0.000 1.170 848 W CB 0.380 29.557 29.460 -0.472 0.000 1.452 848 W HN 0.416 nan 8.180 nan 0.000 0.572 849 P HA 0.019 nan 4.420 nan 0.000 0.262 849 P C 0.271 177.277 177.300 -0.491 0.000 1.182 849 P CA 0.483 63.411 63.100 -0.286 0.000 0.761 849 P CB 0.777 32.418 31.700 -0.098 0.000 0.795 850 S N 2.588 117.860 115.700 -0.714 0.000 2.584 850 S HA 0.378 4.851 4.470 0.005 0.000 0.270 850 S C 1.354 175.522 174.600 -0.720 0.000 1.346 850 S CA 0.267 57.729 58.200 -1.231 0.000 1.018 850 S CB -0.186 62.334 63.200 -1.133 0.000 0.899 850 S HN 0.939 nan 8.310 nan 0.000 0.542 851 G N 0.626 109.031 108.800 -0.659 0.000 2.168 851 G HA2 -0.206 3.758 3.960 0.005 0.000 0.263 851 G HA3 -0.206 3.758 3.960 0.005 0.000 0.263 851 G C 0.241 175.217 174.900 0.126 0.000 0.977 851 G CA 0.707 45.733 45.100 -0.123 0.000 0.659 851 G HN 1.890 nan 8.290 nan 0.000 0.533 852 T N -2.632 112.056 114.554 0.223 0.000 2.906 852 T HA 0.668 5.021 4.350 0.005 0.000 0.295 852 T C -0.486 174.517 174.700 0.504 0.000 1.075 852 T CA -0.802 61.477 62.100 0.299 0.000 1.005 852 T CB 2.606 71.619 68.868 0.241 0.000 1.136 852 T HN 0.089 nan 8.240 nan 0.000 0.498 853 E N 1.308 121.718 120.200 0.351 0.000 2.360 853 E HA 0.207 4.560 4.350 0.005 0.000 0.269 853 E C 0.085 176.848 176.600 0.272 0.000 1.022 853 E CA -0.286 56.320 56.400 0.344 0.000 0.887 853 E CB 1.328 31.155 29.700 0.211 0.000 0.990 853 E HN 0.665 nan 8.360 nan 0.000 0.426 854 I N 2.013 122.588 120.570 0.010 0.000 2.710 854 I HA -0.102 4.071 4.170 0.005 0.000 0.286 854 I C 0.936 177.010 176.117 -0.073 0.000 1.181 854 I CA 0.468 61.541 61.300 -0.378 0.000 1.430 854 I CB 0.738 38.101 38.000 -1.062 0.000 1.367 854 I HN 0.367 nan 8.210 nan 0.000 0.577 855 T N 4.921 119.504 114.554 0.048 0.000 2.933 855 T HA -0.087 4.267 4.350 0.005 0.000 0.306 855 T C 0.992 175.698 174.700 0.011 0.000 1.045 855 T CA -0.024 62.118 62.100 0.069 0.000 1.143 855 T CB 0.203 69.141 68.868 0.116 0.000 1.003 855 T HN 0.672 nan 8.240 nan 0.000 0.540 856 D N 3.704 124.110 120.400 0.011 0.000 2.351 856 D HA -0.058 4.585 4.640 0.005 0.000 0.216 856 D C 2.019 178.317 176.300 -0.004 0.000 0.968 856 D CA 0.631 54.626 54.000 -0.008 0.000 0.899 856 D CB 0.010 40.810 40.800 -0.000 0.000 0.907 856 D HN 0.575 nan 8.370 nan 0.000 0.514 857 L N 0.261 121.488 121.223 0.008 0.000 2.127 857 L HA -0.148 4.196 4.340 0.005 0.000 0.211 857 L C 2.145 179.025 176.870 0.017 0.000 1.089 857 L CA 1.134 55.977 54.840 0.004 0.000 0.757 857 L CB -0.184 41.873 42.059 -0.002 0.000 0.899 857 L HN 0.171 nan 8.230 nan 0.000 0.434 858 I N -6.541 114.051 120.570 0.038 0.000 4.442 858 I HA 0.095 4.268 4.170 0.005 0.000 0.331 858 I C 1.935 178.098 176.117 0.077 0.000 1.364 858 I CA -0.156 61.215 61.300 0.119 0.000 1.207 858 I CB 0.006 38.154 38.000 0.247 0.000 1.298 858 I HN -0.077 nan 8.210 nan 0.000 0.463 859 K N 2.159 122.531 120.400 -0.045 0.000 2.020 859 K HA -0.235 4.088 4.320 0.005 0.000 0.212 859 K C 1.431 177.951 176.600 -0.134 0.000 1.050 859 K CA 2.710 58.892 56.287 -0.174 0.000 0.929 859 K CB -0.084 32.296 32.500 -0.201 0.000 0.714 859 K HN 0.318 nan 8.250 nan 0.000 0.443 860 D N 0.863 121.229 120.400 -0.056 0.000 2.123 860 D HA -0.158 4.485 4.640 0.005 0.000 0.196 860 D C 1.623 177.969 176.300 0.076 0.000 0.992 860 D CA 1.202 55.189 54.000 -0.021 0.000 0.833 860 D CB -0.346 40.442 40.800 -0.019 0.000 0.954 860 D HN 0.308 nan 8.370 nan 0.000 0.455 861 D N -0.035 120.460 120.400 0.158 0.000 2.117 861 D HA -0.080 4.563 4.640 0.005 0.000 0.198 861 D C 2.333 178.962 176.300 0.547 0.000 0.982 861 D CA 0.310 54.526 54.000 0.361 0.000 0.828 861 D CB -0.188 40.765 40.800 0.255 0.000 0.967 861 D HN 0.064 nan 8.370 nan 0.000 0.464 862 V N 1.249 121.367 119.914 0.339 0.000 2.295 862 V HA -0.231 3.892 4.120 0.005 0.000 0.246 862 V C 2.691 178.822 176.094 0.061 0.000 1.049 862 V CA 1.213 63.581 62.300 0.113 0.000 1.024 862 V CB -0.550 31.149 31.823 -0.207 0.000 0.648 862 V HN 0.191 nan 8.190 nan 0.000 0.447 863 L N -0.575 120.617 121.223 -0.051 0.000 2.042 863 L HA -0.246 4.098 4.340 0.005 0.000 0.210 863 L C 2.652 179.540 176.870 0.031 0.000 1.076 863 L CA 2.086 56.884 54.840 -0.070 0.000 0.749 863 L CB -0.918 41.059 42.059 -0.136 0.000 0.893 863 L HN 0.481 nan 8.230 nan 0.000 0.432 864 H N -1.037 118.022 119.070 -0.018 0.000 2.423 864 H HA -0.185 4.375 4.556 0.005 0.000 0.297 864 H C 1.460 176.625 175.328 -0.272 0.000 1.075 864 H CA 1.779 57.732 56.048 -0.159 0.000 1.342 864 H CB 0.105 29.738 29.762 -0.216 0.000 1.395 864 H HN 0.387 nan 8.280 nan 0.000 0.530 865 W N 0.420 121.795 121.300 0.125 0.000 3.127 865 W HA 0.256 4.920 4.660 0.005 0.000 0.344 865 W C 0.530 177.067 176.519 0.031 0.000 1.151 865 W CA -0.574 56.834 57.345 0.105 0.000 1.765 865 W CB 0.242 29.845 29.460 0.238 0.000 1.085 865 W HN -0.092 nan 8.180 nan 0.000 0.596 866 M N 1.822 121.481 119.600 0.099 0.000 2.286 866 M HA -0.108 4.376 4.480 0.005 0.000 0.365 866 M C 0.271 176.502 176.300 -0.115 0.000 1.443 866 M CA 0.977 56.223 55.300 -0.091 0.000 0.951 866 M CB 0.177 32.541 32.600 -0.393 0.000 1.961 866 M HN -0.172 nan 8.290 nan 0.000 0.468 867 D N 3.371 123.756 120.400 -0.025 0.000 2.494 867 D HA 0.070 4.713 4.640 0.005 0.000 0.217 867 D C 0.263 176.599 176.300 0.060 0.000 1.153 867 D CA 0.046 54.086 54.000 0.066 0.000 0.954 867 D CB 0.245 41.125 40.800 0.134 0.000 1.034 867 D HN 0.449 nan 8.370 nan 0.000 0.518 868 Y N 1.166 121.538 120.300 0.120 0.000 2.224 868 Y HA -0.199 4.354 4.550 0.005 0.000 0.289 868 Y C 2.533 178.630 175.900 0.329 0.000 1.146 868 Y CA 1.149 59.370 58.100 0.201 0.000 1.182 868 Y CB -0.249 38.206 38.460 -0.008 0.000 0.983 868 Y HN 0.295 nan 8.280 nan 0.000 0.524 869 T N -0.675 114.101 114.554 0.369 0.000 2.674 869 T HA -0.175 4.179 4.350 0.005 0.000 0.265 869 T C 2.145 176.956 174.700 0.185 0.000 1.039 869 T CA 1.648 63.909 62.100 0.269 0.000 1.150 869 T CB -0.790 68.190 68.868 0.187 0.000 0.864 869 T HN 0.093 nan 8.240 nan 0.000 0.427 870 V N 1.517 121.526 119.914 0.158 0.000 2.295 870 V HA -0.120 4.004 4.120 0.005 0.000 0.246 870 V C 2.426 178.580 176.094 0.100 0.000 1.049 870 V CA 1.405 63.772 62.300 0.112 0.000 1.024 870 V CB -0.699 31.192 31.823 0.113 0.000 0.648 870 V HN 0.384 nan 8.190 nan 0.000 0.447 871 L N -0.719 120.585 121.223 0.135 0.000 1.990 871 L HA -0.254 4.089 4.340 0.005 0.000 0.213 871 L C 2.407 179.339 176.870 0.105 0.000 1.072 871 L CA 2.056 56.975 54.840 0.132 0.000 0.755 871 L CB -0.274 41.890 42.059 0.175 0.000 0.889 871 L HN 0.341 nan 8.230 nan 0.000 0.432 872 L N -0.372 120.896 121.223 0.074 0.000 2.017 872 L HA -0.229 4.114 4.340 0.005 0.000 0.208 872 L C 2.549 179.435 176.870 0.027 0.000 1.073 872 L CA 1.814 56.585 54.840 -0.115 0.000 0.745 872 L CB -0.743 41.009 42.059 -0.512 0.000 0.894 872 L HN 0.304 nan 8.230 nan 0.000 0.432 873 E N -0.005 120.218 120.200 0.040 0.000 2.051 873 E HA -0.247 4.106 4.350 0.005 0.000 0.192 873 E C 2.227 178.825 176.600 -0.003 0.000 0.991 873 E CA 1.499 57.918 56.400 0.032 0.000 0.799 873 E CB 0.046 29.770 29.700 0.040 0.000 0.748 873 E HN 0.520 nan 8.360 nan 0.000 0.449 874 K N -0.565 119.833 120.400 -0.002 0.000 2.031 874 K HA -0.068 4.255 4.320 0.005 0.000 0.205 874 K C 2.240 178.819 176.600 -0.035 0.000 1.049 874 K CA 1.805 58.069 56.287 -0.039 0.000 0.939 874 K CB -0.115 32.349 32.500 -0.061 0.000 0.717 874 K HN 0.211 nan 8.250 nan 0.000 0.438 875 T N -2.112 112.454 114.554 0.019 0.000 3.035 875 T HA 0.024 4.377 4.350 0.005 0.000 0.259 875 T C 1.500 176.249 174.700 0.082 0.000 1.078 875 T CA 0.295 62.422 62.100 0.044 0.000 1.132 875 T CB -0.029 68.891 68.868 0.086 0.000 0.900 875 T HN 0.105 nan 8.240 nan 0.000 0.480 876 F N 0.768 120.668 119.950 -0.084 0.000 2.536 876 F HA 0.484 5.014 4.527 0.005 0.000 0.278 876 F C 1.753 177.450 175.800 -0.171 0.000 0.945 876 F CA -0.513 57.424 58.000 -0.105 0.000 1.244 876 F CB -0.005 38.980 39.000 -0.025 0.000 1.118 876 F HN -0.059 nan 8.300 nan 0.000 0.725 877 I N 0.784 121.265 120.570 -0.149 0.000 2.179 877 I HA -0.278 3.895 4.170 0.005 0.000 0.242 877 I C 2.401 178.275 176.117 -0.405 0.000 1.088 877 I CA 1.559 62.671 61.300 -0.313 0.000 1.357 877 I CB -0.509 37.467 38.000 -0.040 0.000 1.051 877 I HN 0.140 nan 8.210 nan 0.000 0.409 878 K N 0.816 121.060 120.400 -0.259 0.000 2.009 878 K HA -0.168 4.155 4.320 0.005 0.000 0.210 878 K C -0.501 175.877 176.600 -0.369 0.000 1.049 878 K CA 1.783 57.923 56.287 -0.245 0.000 0.929 878 K CB -0.813 31.596 32.500 -0.153 0.000 0.714 878 K HN 0.164 nan 8.250 nan 0.000 0.440 879 P HA -0.158 nan 4.420 nan 0.000 0.216 879 P C 1.229 177.769 177.300 -1.268 0.000 1.153 879 P CA 0.859 63.526 63.100 -0.722 0.000 0.848 879 P CB 0.044 31.387 31.700 -0.595 0.000 0.787 880 L N 0.485 121.038 121.223 -1.118 0.000 2.046 880 L HA -0.184 4.160 4.340 0.005 0.000 0.208 880 L C 2.307 178.742 176.870 -0.725 0.000 1.077 880 L CA 2.011 56.225 54.840 -1.044 0.000 0.747 880 L CB -1.332 40.078 42.059 -1.080 0.000 0.896 880 L HN -0.131 nan 8.230 nan 0.000 0.432 881 E N -0.379 119.451 120.200 -0.618 0.000 2.085 881 E HA -0.157 4.196 4.350 0.005 0.000 0.194 881 E C 2.113 178.584 176.600 -0.214 0.000 0.994 881 E CA 1.646 57.870 56.400 -0.293 0.000 0.801 881 E CB -0.889 28.702 29.700 -0.182 0.000 0.743 881 E HN 0.489 nan 8.360 nan 0.000 0.453 882 G N -0.573 108.051 108.800 -0.292 0.000 2.421 882 G HA2 -0.223 3.740 3.960 0.005 0.000 0.216 882 G HA3 -0.223 3.740 3.960 0.005 0.000 0.216 882 G C 1.229 176.120 174.900 -0.016 0.000 1.171 882 G CA 0.921 45.933 45.100 -0.146 0.000 0.775 882 G HN 0.265 nan 8.290 nan 0.000 0.543 883 F N 2.037 121.871 119.950 -0.194 0.000 2.102 883 F HA -0.070 4.460 4.527 0.006 0.000 0.298 883 F C 3.177 178.661 175.800 -0.526 0.000 1.105 883 F CA 1.414 59.180 58.000 -0.389 0.000 1.239 883 F CB -1.486 37.269 39.000 -0.410 0.000 0.991 883 F HN 0.269 nan 8.300 nan 0.000 0.474 884 T N -3.299 111.163 114.554 -0.155 0.000 2.857 884 T HA -0.144 4.210 4.350 0.005 0.000 0.266 884 T C 2.215 176.850 174.700 -0.109 0.000 1.048 884 T CA 1.310 63.322 62.100 -0.146 0.000 1.139 884 T CB -0.848 68.001 68.868 -0.031 0.000 0.874 884 T HN 0.217 nan 8.240 nan 0.000 0.455 885 S N 1.514 117.171 115.700 -0.072 0.000 2.368 885 S HA 0.038 4.511 4.470 0.005 0.000 0.225 885 S C 2.460 177.040 174.600 -0.034 0.000 1.030 885 S CA 1.240 59.413 58.200 -0.045 0.000 0.999 885 S CB -0.938 62.246 63.200 -0.028 0.000 0.844 885 S HN 0.726 nan 8.310 nan 0.000 0.459 886 A N 1.141 123.947 122.820 -0.023 0.000 1.902 886 A HA 0.258 4.581 4.320 0.005 0.000 0.217 886 A C 2.346 179.928 177.584 -0.002 0.000 1.181 886 A CA 1.726 53.784 52.037 0.036 0.000 0.623 886 A CB -1.201 17.883 19.000 0.138 0.000 0.818 886 A HN 0.802 nan 8.150 nan 0.000 0.443 887 A N -1.487 121.258 122.820 -0.125 0.000 2.206 887 A HA 0.204 4.527 4.320 0.005 0.000 0.211 887 A C 0.867 178.399 177.584 -0.087 0.000 1.158 887 A CA 0.902 52.863 52.037 -0.127 0.000 0.761 887 A CB -0.212 18.598 19.000 -0.317 0.000 0.801 887 A HN 0.411 nan 8.150 nan 0.000 0.473 888 K N -1.626 118.728 120.400 -0.077 0.000 3.167 888 K HA -0.184 4.139 4.320 0.005 0.000 0.272 888 K C -0.476 176.085 176.600 -0.066 0.000 1.137 888 K CA 1.194 57.443 56.287 -0.063 0.000 0.800 888 K CB -2.912 29.554 32.500 -0.056 0.000 1.253 888 K HN 0.698 nan 8.250 nan 0.000 0.497 889 L N -3.012 118.165 121.223 -0.077 0.000 2.303 889 L HA 0.766 5.109 4.340 0.005 0.000 0.256 889 L C -0.536 176.288 176.870 -0.077 0.000 1.034 889 L CA -0.846 53.952 54.840 -0.069 0.000 0.832 889 L CB 1.387 43.410 42.059 -0.061 0.000 1.403 889 L HN -0.148 nan 8.230 nan 0.000 0.419 890 D N 0.004 120.350 120.400 -0.091 0.000 2.278 890 D HA 0.241 4.884 4.640 0.005 0.000 0.245 890 D C -0.081 176.128 176.300 -0.152 0.000 1.052 890 D CA -0.108 53.793 54.000 -0.166 0.000 0.834 890 D CB 1.733 42.418 40.800 -0.193 0.000 1.194 890 D HN 0.811 nan 8.370 nan 0.000 0.481 891 Y N -0.124 120.035 120.300 -0.235 0.000 2.544 891 Y HA 0.274 4.828 4.550 0.005 0.000 0.286 891 Y C 0.196 175.914 175.900 -0.303 0.000 1.141 891 Y CA -0.006 57.904 58.100 -0.317 0.000 1.299 891 Y CB 0.291 38.405 38.460 -0.577 0.000 1.030 891 Y HN 0.114 nan 8.280 nan 0.000 0.543 892 E N 1.540 121.404 120.200 -0.560 0.000 2.248 892 E HA 0.227 4.581 4.350 0.005 0.000 0.267 892 E C -1.196 175.295 176.600 -0.180 0.000 0.877 892 E CA -1.132 55.094 56.400 -0.290 0.000 0.759 892 E CB 1.969 31.449 29.700 -0.367 0.000 1.182 892 E HN 0.083 nan 8.360 nan 0.000 0.418 893 K N 3.432 123.795 120.400 -0.062 0.000 2.416 893 K HA 0.014 4.337 4.320 0.005 0.000 0.283 893 K C -0.219 176.351 176.600 -0.051 0.000 1.037 893 K CA -0.072 56.190 56.287 -0.041 0.000 0.995 893 K CB 0.368 32.869 32.500 0.002 0.000 0.938 893 K HN 0.378 nan 8.250 nan 0.000 0.475 894 K N 2.482 122.848 120.400 -0.056 0.000 2.237 894 K HA 0.297 4.621 4.320 0.005 0.000 0.270 894 K C -0.413 176.181 176.600 -0.011 0.000 1.015 894 K CA -0.756 55.504 56.287 -0.044 0.000 0.949 894 K CB 1.089 33.560 32.500 -0.049 0.000 0.976 894 K HN 0.440 nan 8.250 nan 0.000 0.472 895 A N 1.952 124.770 122.820 -0.003 0.000 2.477 895 A HA 0.274 4.598 4.320 0.005 0.000 0.246 895 A C 0.048 177.654 177.584 0.037 0.000 1.078 895 A CA -0.086 51.963 52.037 0.020 0.000 0.770 895 A CB -0.134 18.875 19.000 0.015 0.000 1.011 895 A HN 0.864 nan 8.150 nan 0.000 0.494 896 S N 1.247 116.990 115.700 0.071 0.000 2.704 896 S HA 0.566 5.039 4.470 0.005 0.000 0.296 896 S C 0.340 175.029 174.600 0.148 0.000 1.138 896 S CA -0.683 57.583 58.200 0.110 0.000 0.875 896 S CB 0.710 63.990 63.200 0.132 0.000 1.151 896 S HN 0.405 nan 8.310 nan 0.000 0.500 897 L N -0.069 121.261 121.223 0.179 0.000 2.265 897 L HA 0.181 4.524 4.340 0.005 0.000 0.215 897 L C 1.825 178.807 176.870 0.187 0.000 1.117 897 L CA 1.366 56.292 54.840 0.144 0.000 0.782 897 L CB -0.918 41.213 42.059 0.119 0.000 0.914 897 L HN 0.764 nan 8.230 nan 0.000 0.441 898 F N -0.368 119.672 119.950 0.151 0.000 2.365 898 F HA -0.119 4.411 4.527 0.006 0.000 0.300 898 F C 0.815 176.751 175.800 0.227 0.000 1.090 898 F CA 0.319 58.472 58.000 0.256 0.000 1.408 898 F CB -0.113 38.984 39.000 0.162 0.000 1.060 898 F HN 0.070 nan 8.300 nan 0.000 0.534 899 D N 1.493 122.044 120.400 0.251 0.000 2.336 899 D HA 0.196 4.839 4.640 0.005 0.000 0.249 899 D C -0.050 176.251 176.300 0.001 0.000 1.213 899 D CA 0.385 54.461 54.000 0.126 0.000 0.870 899 D CB 1.110 41.966 40.800 0.092 0.000 1.076 899 D HN 0.167 nan 8.370 nan 0.000 0.483 900 M N 2.137 121.687 119.600 -0.084 0.000 2.575 900 M HA 0.424 4.907 4.480 0.005 0.000 0.284 900 M C -1.252 174.956 176.300 -0.153 0.000 1.253 900 M CA -0.633 54.667 55.300 0.001 0.000 0.861 900 M CB 2.091 34.703 32.600 0.021 0.000 1.733 900 M HN 0.174 nan 8.290 nan 0.000 0.462 901 F N 0.013 119.989 119.950 0.043 0.000 3.022 901 F HA 0.420 4.951 4.527 0.006 0.000 0.193 901 F C 1.025 176.872 175.800 0.078 0.000 1.462 901 F CA 0.557 58.585 58.000 0.048 0.000 0.914 901 F CB 0.212 39.228 39.000 0.027 0.000 2.028 901 F HN 0.726 nan 8.300 nan 0.000 0.451 902 D N -0.452 120.162 120.400 0.357 0.000 2.527 902 D HA -0.313 4.330 4.640 0.005 0.000 0.160 902 D C 0.321 176.794 176.300 0.290 0.000 1.646 902 D CA 1.768 55.912 54.000 0.241 0.000 1.652 902 D CB -1.144 39.756 40.800 0.167 0.000 1.337 902 D HN 0.316 nan 8.370 nan 0.000 0.432 903 F N 0.000 119.995 119.950 0.075 0.000 2.286 903 F HA 0.000 4.530 4.527 0.005 0.000 0.279 903 F CA 0.000 58.023 58.000 0.038 0.000 1.383 903 F CB 0.000 39.025 39.000 0.041 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574