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 3nhg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINGLAGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.046 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.646 32.600 0.077 0.000 1.302 2 K N 1.506 121.923 120.400 0.028 0.000 2.295 2 K HA 0.284 4.611 4.320 0.012 0.000 0.270 2 K C 0.049 176.788 176.600 0.232 0.000 1.011 2 K CA -0.165 56.138 56.287 0.026 0.000 0.953 2 K CB 0.657 33.050 32.500 -0.179 0.000 0.956 2 K HN 0.581 nan 8.250 nan 0.000 0.477 3 E N 1.330 121.718 120.200 0.313 0.000 2.404 3 E HA 0.116 4.473 4.350 0.012 0.000 0.261 3 E C -0.435 176.551 176.600 0.643 0.000 1.074 3 E CA 0.180 56.833 56.400 0.423 0.000 0.917 3 E CB 0.357 30.318 29.700 0.434 0.000 0.965 3 E HN 0.327 nan 8.360 nan 0.000 0.433 4 F N -0.322 119.821 119.950 0.322 0.000 2.613 4 F HA 0.407 4.941 4.527 0.012 0.000 0.310 4 F C -0.821 175.028 175.800 0.082 0.000 1.085 4 F CA -1.595 56.421 58.000 0.027 0.000 0.945 4 F CB 0.318 39.149 39.000 -0.281 0.000 1.298 4 F HN 0.370 nan 8.300 nan 0.000 0.455 5 Y N 1.052 121.322 120.300 -0.050 0.000 2.314 5 Y HA 0.655 5.212 4.550 0.012 0.000 0.334 5 Y C -0.117 175.989 175.900 0.343 0.000 1.266 5 Y CA -0.999 57.189 58.100 0.147 0.000 1.391 5 Y CB 0.549 39.027 38.460 0.030 0.000 1.306 5 Y HN 0.718 nan 8.280 nan 0.000 0.558 6 L N 0.650 122.123 121.223 0.417 0.000 2.541 6 L HA 0.237 4.584 4.340 0.012 0.000 0.187 6 L C 0.530 177.620 176.870 0.367 0.000 1.098 6 L CA 0.696 55.727 54.840 0.319 0.000 0.846 6 L CB 0.303 42.479 42.059 0.195 0.000 1.151 6 L HN 0.913 nan 8.230 nan 0.000 0.492 7 T N -2.721 112.059 114.554 0.377 0.000 2.865 7 T HA 0.683 5.040 4.350 0.012 0.000 0.294 7 T C -1.026 173.861 174.700 0.311 0.000 1.119 7 T CA -0.670 61.625 62.100 0.325 0.000 1.007 7 T CB 2.682 71.705 68.868 0.258 0.000 1.225 7 T HN -0.155 nan 8.240 nan 0.000 0.515 8 V N 0.679 120.718 119.914 0.208 0.000 2.851 8 V HA 0.688 4.815 4.120 0.012 0.000 0.307 8 V C -1.776 174.391 176.094 0.121 0.000 1.129 8 V CA -0.493 61.890 62.300 0.138 0.000 0.932 8 V CB 1.958 33.819 31.823 0.063 0.000 1.024 8 V HN 1.065 nan 8.190 nan 0.000 0.426 9 E N 3.764 124.031 120.200 0.112 0.000 2.383 9 E HA 0.378 4.735 4.350 0.012 0.000 0.275 9 E C -1.505 175.176 176.600 0.135 0.000 0.918 9 E CA -0.666 55.838 56.400 0.174 0.000 0.764 9 E CB 2.664 32.535 29.700 0.284 0.000 1.252 9 E HN 0.693 nan 8.360 nan 0.000 0.449 10 Q N 2.045 121.948 119.800 0.171 0.000 2.347 10 Q HA 0.508 4.856 4.340 0.012 0.000 0.262 10 Q C -1.045 175.012 176.000 0.096 0.000 0.980 10 Q CA -0.404 55.480 55.803 0.135 0.000 0.867 10 Q CB 0.747 29.573 28.738 0.147 0.000 1.242 10 Q HN 0.488 nan 8.270 nan 0.000 0.453 11 I N 4.334 124.972 120.570 0.113 0.000 2.410 11 I HA 0.350 4.527 4.170 0.012 0.000 0.286 11 I C 0.920 177.080 176.117 0.071 0.000 1.009 11 I CA -0.304 61.003 61.300 0.012 0.000 1.111 11 I CB 1.529 39.475 38.000 -0.091 0.000 1.262 11 I HN 0.999 nan 8.210 nan 0.000 0.443 12 G N 5.813 114.620 108.800 0.012 0.000 2.690 12 G HA2 -0.319 3.648 3.960 0.012 0.000 0.334 12 G HA3 -0.319 3.648 3.960 0.012 0.000 0.334 12 G C 0.449 175.361 174.900 0.021 0.000 1.250 12 G CA 0.675 45.785 45.100 0.016 0.000 0.994 12 G HN 0.627 nan 8.290 nan 0.000 0.549 13 D N 1.423 121.826 120.400 0.006 0.000 2.463 13 D HA 0.451 5.098 4.640 0.012 0.000 0.224 13 D C 0.159 176.435 176.300 -0.039 0.000 1.174 13 D CA 0.468 54.453 54.000 -0.024 0.000 0.829 13 D CB 0.550 41.326 40.800 -0.040 0.000 0.993 13 D HN 0.207 nan 8.370 nan 0.000 0.497 14 S N 0.458 116.143 115.700 -0.026 0.000 2.500 14 S HA 0.425 4.902 4.470 0.012 0.000 0.301 14 S C -0.116 174.409 174.600 -0.125 0.000 1.092 14 S CA -0.660 57.455 58.200 -0.142 0.000 1.030 14 S CB 1.952 64.964 63.200 -0.312 0.000 1.031 14 S HN 0.018 nan 8.310 nan 0.000 0.483 15 I N 3.345 123.765 120.570 -0.249 0.000 2.371 15 I HA 0.278 4.455 4.170 0.012 0.000 0.290 15 I C -0.687 175.161 176.117 -0.447 0.000 1.028 15 I CA -0.086 61.011 61.300 -0.338 0.000 1.345 15 I CB -0.057 37.509 38.000 -0.722 0.000 1.407 15 I HN 0.524 nan 8.210 nan 0.000 0.501 16 F N 5.000 124.779 119.950 -0.284 0.000 2.415 16 F HA 0.378 4.913 4.527 0.013 0.000 0.348 16 F C 0.631 176.328 175.800 -0.170 0.000 1.119 16 F CA -0.385 57.433 58.000 -0.304 0.000 1.069 16 F CB 1.227 39.813 39.000 -0.690 0.000 1.124 16 F HN 0.428 nan 8.300 nan 0.000 0.472 17 E N 4.125 124.416 120.200 0.152 0.000 2.275 17 E HA 0.435 4.792 4.350 0.012 0.000 0.270 17 E C -1.166 175.692 176.600 0.431 0.000 0.882 17 E CA -0.913 55.657 56.400 0.283 0.000 0.758 17 E CB 1.340 31.201 29.700 0.269 0.000 1.195 17 E HN 0.614 nan 8.360 nan 0.000 0.419 18 R N 2.859 123.612 120.500 0.422 0.000 2.368 18 R HA 0.440 4.787 4.340 0.012 0.000 0.302 18 R C -0.939 175.604 176.300 0.405 0.000 1.002 18 R CA -0.501 55.801 56.100 0.337 0.000 0.929 18 R CB 0.935 31.366 30.300 0.219 0.000 1.073 18 R HN 0.468 nan 8.270 nan 0.000 0.464 19 Y N -0.774 119.597 120.300 0.118 0.000 2.670 19 Y HA 0.529 5.086 4.550 0.012 0.000 0.334 19 Y C -1.357 174.482 175.900 -0.101 0.000 1.185 19 Y CA -1.613 56.521 58.100 0.057 0.000 1.053 19 Y CB 1.021 39.595 38.460 0.189 0.000 1.298 19 Y HN 0.185 nan 8.280 nan 0.000 0.459 20 I N 3.702 124.119 120.570 -0.256 0.000 2.321 20 I HA 0.197 4.374 4.170 0.012 0.000 0.291 20 I C -0.419 175.637 176.117 -0.101 0.000 0.998 20 I CA -0.590 60.460 61.300 -0.418 0.000 1.227 20 I CB 0.665 38.127 38.000 -0.896 0.000 1.368 20 I HN 0.822 nan 8.210 nan 0.000 0.466 21 D N 3.971 124.314 120.400 -0.094 0.000 2.383 21 D HA 0.065 4.712 4.640 0.012 0.000 0.248 21 D C 1.105 177.459 176.300 0.090 0.000 1.170 21 D CA -0.447 53.634 54.000 0.135 0.000 0.977 21 D CB 0.574 41.434 40.800 0.100 0.000 1.120 21 D HN 0.451 nan 8.370 nan 0.000 0.481 22 S N 0.101 115.874 115.700 0.121 0.000 2.462 22 S HA -0.228 4.249 4.470 0.012 0.000 0.243 22 S C 1.023 175.654 174.600 0.051 0.000 1.003 22 S CA 0.683 58.934 58.200 0.085 0.000 0.970 22 S CB -0.579 62.664 63.200 0.072 0.000 0.762 22 S HN 0.532 nan 8.310 nan 0.000 0.510 23 N N 1.382 120.103 118.700 0.035 0.000 2.412 23 N HA 0.164 4.911 4.740 0.012 0.000 0.184 23 N C 1.311 176.825 175.510 0.005 0.000 1.101 23 N CA 0.817 53.877 53.050 0.016 0.000 0.881 23 N CB 0.184 38.675 38.487 0.007 0.000 0.969 23 N HN 0.696 nan 8.380 nan 0.000 0.459 24 G N 1.127 109.926 108.800 -0.001 0.000 2.141 24 G HA2 -0.264 3.703 3.960 0.012 0.000 0.231 24 G HA3 -0.264 3.703 3.960 0.012 0.000 0.231 24 G C -0.020 174.850 174.900 -0.051 0.000 0.984 24 G CA -0.357 44.737 45.100 -0.010 0.000 0.660 24 G HN 0.286 nan 8.290 nan 0.000 0.525 25 R N 0.401 120.853 120.500 -0.079 0.000 2.428 25 R HA 0.524 4.871 4.340 0.012 0.000 0.294 25 R C 0.219 176.404 176.300 -0.191 0.000 1.000 25 R CA -0.672 55.363 56.100 -0.109 0.000 0.960 25 R CB 1.356 31.602 30.300 -0.090 0.000 1.076 25 R HN 0.381 nan 8.270 nan 0.000 0.475 26 E N 2.594 122.686 120.200 -0.180 0.000 2.360 26 E HA 0.070 4.427 4.350 0.012 0.000 0.269 26 E C -0.488 175.946 176.600 -0.277 0.000 1.022 26 E CA -0.067 56.196 56.400 -0.228 0.000 0.887 26 E CB 0.622 30.230 29.700 -0.155 0.000 0.990 26 E HN 0.254 nan 8.360 nan 0.000 0.426 27 R N 2.062 122.310 120.500 -0.421 0.000 2.764 27 R HA 0.468 4.815 4.340 0.012 0.000 0.270 27 R C -1.254 174.893 176.300 -0.256 0.000 1.014 27 R CA -0.774 55.056 56.100 -0.450 0.000 0.904 27 R CB 2.290 32.051 30.300 -0.899 0.000 1.236 27 R HN 0.559 nan 8.270 nan 0.000 0.466 28 T N 1.929 116.473 114.554 -0.017 0.000 2.916 28 T HA 0.567 4.925 4.350 0.012 0.000 0.298 28 T C -0.825 174.026 174.700 0.252 0.000 1.031 28 T CA -0.944 61.271 62.100 0.193 0.000 0.993 28 T CB 2.114 71.095 68.868 0.188 0.000 1.045 28 T HN 0.638 nan 8.240 nan 0.000 0.454 29 R N 1.083 121.756 120.500 0.288 0.000 2.698 29 R HA 0.654 5.001 4.340 0.012 0.000 0.275 29 R C -1.448 174.828 176.300 -0.040 0.000 1.001 29 R CA -1.027 55.164 56.100 0.153 0.000 0.896 29 R CB 2.086 32.501 30.300 0.192 0.000 1.218 29 R HN 0.545 nan 8.270 nan 0.000 0.462 30 E N 2.385 122.477 120.200 -0.180 0.000 2.133 30 E HA 0.345 4.702 4.350 0.012 0.000 0.274 30 E C -1.293 175.125 176.600 -0.303 0.000 0.930 30 E CA -0.876 55.227 56.400 -0.494 0.000 0.770 30 E CB 1.910 31.276 29.700 -0.556 0.000 1.104 30 E HN 0.411 nan 8.360 nan 0.000 0.403 31 V N 4.838 124.554 119.914 -0.329 0.000 2.444 31 V HA 0.155 4.282 4.120 0.012 0.000 0.294 31 V C -0.390 175.618 176.094 -0.144 0.000 1.022 31 V CA -0.757 61.445 62.300 -0.164 0.000 0.850 31 V CB 1.629 33.400 31.823 -0.086 0.000 0.992 31 V HN 0.720 nan 8.190 nan 0.000 0.426 32 E N 4.134 124.286 120.200 -0.081 0.000 1.842 32 E HA 0.094 4.451 4.350 0.012 0.000 0.278 32 E C -0.820 175.787 176.600 0.010 0.000 1.171 32 E CA -0.227 56.139 56.400 -0.057 0.000 1.127 32 E CB 0.141 29.803 29.700 -0.062 0.000 1.100 32 E HN 0.608 nan 8.360 nan 0.000 0.456 33 Y N 3.063 123.300 120.300 -0.104 0.000 2.465 33 Y HA 0.018 4.575 4.550 0.012 0.000 0.331 33 Y C -0.111 175.740 175.900 -0.081 0.000 1.102 33 Y CA -0.595 57.477 58.100 -0.046 0.000 1.358 33 Y CB 0.487 38.944 38.460 -0.005 0.000 1.213 33 Y HN 0.074 nan 8.280 nan 0.000 0.525 34 K N 9.272 129.349 120.400 -0.538 0.000 2.264 34 K HA 0.321 4.648 4.320 0.012 0.000 0.277 34 K C -2.703 173.379 176.600 -0.865 0.000 1.067 34 K CA -1.740 54.225 56.287 -0.537 0.000 0.900 34 K CB 1.026 33.344 32.500 -0.303 0.000 1.124 34 K HN 0.471 nan 8.250 nan 0.000 0.469 35 P HA 0.193 nan 4.420 nan 0.000 0.278 35 P C -0.630 176.525 177.300 -0.241 0.000 1.258 35 P CA -0.616 62.144 63.100 -0.567 0.000 0.811 35 P CB 1.096 32.444 31.700 -0.587 0.000 1.063 36 S N 0.083 115.711 115.700 -0.121 0.000 2.513 36 S HA 0.687 5.164 4.470 0.012 0.000 0.299 36 S C -0.241 174.251 174.600 -0.180 0.000 1.087 36 S CA -0.520 57.537 58.200 -0.239 0.000 1.012 36 S CB 0.542 63.508 63.200 -0.390 0.000 1.044 36 S HN 0.292 nan 8.310 nan 0.000 0.485 37 L N 1.507 122.514 121.223 -0.359 0.000 2.250 37 L HA 0.748 5.095 4.340 0.012 0.000 0.252 37 L C -1.584 174.856 176.870 -0.716 0.000 1.054 37 L CA -0.869 53.844 54.840 -0.212 0.000 0.856 37 L CB 1.420 43.586 42.059 0.178 0.000 1.443 37 L HN 0.547 nan 8.230 nan 0.000 0.427 38 F N -0.110 119.849 119.950 0.014 0.000 2.588 38 F HA 0.811 5.345 4.527 0.012 0.000 0.314 38 F C -0.044 175.830 175.800 0.125 0.000 1.069 38 F CA -0.724 57.260 58.000 -0.027 0.000 0.931 38 F CB 2.058 41.019 39.000 -0.065 0.000 1.260 38 F HN 0.352 nan 8.300 nan 0.000 0.465 39 A N 0.355 123.326 122.820 0.252 0.000 2.449 39 A HA 0.664 4.991 4.320 0.012 0.000 0.302 39 A C -1.333 176.335 177.584 0.140 0.000 1.048 39 A CA -0.700 51.477 52.037 0.232 0.000 0.708 39 A CB 0.509 19.707 19.000 0.330 0.000 1.274 39 A HN 0.906 nan 8.150 nan 0.000 0.410 40 H N -0.753 118.432 119.070 0.193 0.000 2.852 40 H HA 0.363 4.927 4.556 0.012 0.000 0.362 40 H C 0.101 175.500 175.328 0.119 0.000 1.122 40 H CA 1.200 57.337 56.048 0.147 0.000 1.419 40 H CB 0.737 30.575 29.762 0.128 0.000 1.401 40 H HN 0.736 nan 8.280 nan 0.000 0.609 41 C N 3.074 122.522 119.300 0.247 0.000 3.288 41 C HA 0.377 4.845 4.460 0.012 0.000 0.318 41 C C -2.245 172.819 174.990 0.124 0.000 1.356 41 C CA -1.407 57.701 59.018 0.150 0.000 1.359 41 C CB 1.366 29.173 27.740 0.111 0.000 1.688 41 C HN 0.704 nan 8.230 nan 0.000 0.467 42 P HA 0.177 nan 4.420 nan 0.000 0.272 42 P C 0.618 177.969 177.300 0.085 0.000 1.223 42 P CA 0.361 63.508 63.100 0.078 0.000 0.784 42 P CB 0.477 32.212 31.700 0.059 0.000 0.923 43 E N 1.390 121.647 120.200 0.096 0.000 2.149 43 E HA -0.329 4.028 4.350 0.012 0.000 0.215 43 E C 0.501 177.153 176.600 0.087 0.000 1.055 43 E CA 2.224 58.694 56.400 0.115 0.000 0.870 43 E CB -1.062 28.708 29.700 0.116 0.000 0.764 43 E HN 0.555 nan 8.360 nan 0.000 0.463 44 S N 0.111 115.850 115.700 0.066 0.000 4.155 44 S HA -0.200 4.277 4.470 0.012 0.000 0.270 44 S C -0.097 174.529 174.600 0.044 0.000 1.863 44 S CA 1.158 59.387 58.200 0.049 0.000 4.245 44 S CB -1.021 62.204 63.200 0.041 0.000 0.205 44 S HN 0.631 nan 8.310 nan 0.000 0.454 45 Q N 1.717 121.544 119.800 0.045 0.000 2.309 45 Q HA 0.843 5.190 4.340 0.012 0.000 0.270 45 Q C 0.575 176.595 176.000 0.033 0.000 1.023 45 Q CA -0.039 55.794 55.803 0.051 0.000 0.758 45 Q CB 2.086 30.873 28.738 0.082 0.000 1.247 45 Q HN 0.586 nan 8.270 nan 0.000 0.455 46 A N 3.318 126.149 122.820 0.019 0.000 1.859 46 A HA -0.118 4.209 4.320 0.012 0.000 0.218 46 A C 1.023 178.609 177.584 0.003 0.000 1.209 46 A CA 2.212 54.255 52.037 0.011 0.000 0.639 46 A CB -0.224 18.784 19.000 0.015 0.000 0.835 46 A HN 0.769 nan 8.150 nan 0.000 0.450 47 T N -1.762 112.780 114.554 -0.019 0.000 4.111 47 T HA 0.400 4.757 4.350 0.012 0.000 0.346 47 T C -0.137 174.455 174.700 -0.181 0.000 0.893 47 T CA 0.083 62.134 62.100 -0.083 0.000 1.011 47 T CB 0.539 69.353 68.868 -0.089 0.000 1.094 47 T HN 0.561 nan 8.240 nan 0.000 0.467 48 K N 2.952 123.182 120.400 -0.285 0.000 2.402 48 K HA 0.279 4.606 4.320 0.012 0.000 0.204 48 K C -0.773 175.486 176.600 -0.569 0.000 1.056 48 K CA -0.322 55.735 56.287 -0.383 0.000 1.069 48 K CB 0.460 32.721 32.500 -0.398 0.000 0.888 48 K HN 0.445 nan 8.250 nan 0.000 0.546 49 Y N 0.855 120.966 120.300 -0.314 0.000 2.331 49 Y HA 0.448 5.005 4.550 0.012 0.000 0.338 49 Y C -0.678 174.912 175.900 -0.516 0.000 0.976 49 Y CA -1.159 56.785 58.100 -0.261 0.000 1.137 49 Y CB 0.869 39.276 38.460 -0.088 0.000 1.172 49 Y HN -0.154 nan 8.280 nan 0.000 0.478 50 F N 2.107 122.126 119.950 0.114 0.000 2.551 50 F HA 0.293 4.827 4.527 0.012 0.000 0.316 50 F C 0.069 175.909 175.800 0.066 0.000 1.089 50 F CA -1.334 56.727 58.000 0.101 0.000 0.915 50 F CB 1.387 40.432 39.000 0.075 0.000 1.186 50 F HN 0.513 nan 8.300 nan 0.000 0.456 51 D N 1.950 122.525 120.400 0.291 0.000 2.384 51 D HA 0.019 4.666 4.640 0.012 0.000 0.244 51 D C 1.382 177.763 176.300 0.135 0.000 1.251 51 D CA -0.294 53.825 54.000 0.198 0.000 0.961 51 D CB 0.466 41.451 40.800 0.309 0.000 1.116 51 D HN 0.630 nan 8.370 nan 0.000 0.484 52 I N -2.868 117.677 120.570 -0.042 0.000 2.567 52 I HA -0.207 3.970 4.170 0.012 0.000 0.257 52 I C 1.057 177.031 176.117 -0.238 0.000 1.184 52 I CA 0.874 62.053 61.300 -0.201 0.000 1.451 52 I CB -0.688 37.102 38.000 -0.350 0.000 1.089 52 I HN 0.232 nan 8.210 nan 0.000 0.441 53 Y N 1.966 122.356 120.300 0.149 0.000 2.511 53 Y HA 0.352 4.909 4.550 0.012 0.000 0.279 53 Y C 2.058 178.027 175.900 0.116 0.000 1.157 53 Y CA 0.458 58.635 58.100 0.129 0.000 1.300 53 Y CB 0.334 38.866 38.460 0.121 0.000 1.052 53 Y HN 0.395 nan 8.280 nan 0.000 0.529 54 G N 0.347 109.290 108.800 0.239 0.000 2.176 54 G HA2 -0.250 3.717 3.960 0.012 0.000 0.232 54 G HA3 -0.250 3.717 3.960 0.012 0.000 0.232 54 G C 0.083 175.158 174.900 0.291 0.000 0.986 54 G CA -0.517 44.673 45.100 0.151 0.000 0.643 54 G HN 0.268 nan 8.290 nan 0.000 0.522 55 K N 2.169 122.795 120.400 0.377 0.000 2.322 55 K HA 0.398 4.725 4.320 0.012 0.000 0.283 55 K C -2.116 174.799 176.600 0.524 0.000 1.042 55 K CA -1.462 55.059 56.287 0.390 0.000 0.958 55 K CB 1.150 33.801 32.500 0.253 0.000 0.984 55 K HN 0.124 nan 8.250 nan 0.000 0.473 56 P HA 0.007 nan 4.420 nan 0.000 0.268 56 P C -0.618 176.752 177.300 0.117 0.000 1.205 56 P CA -0.306 62.847 63.100 0.088 0.000 0.771 56 P CB 0.602 32.359 31.700 0.095 0.000 0.858 57 C N 1.404 120.698 119.300 -0.010 0.000 2.626 57 C HA 0.517 4.984 4.460 0.012 0.000 0.310 57 C C 0.521 175.604 174.990 0.154 0.000 1.191 57 C CA -0.200 58.891 59.018 0.121 0.000 1.517 57 C CB 1.775 29.595 27.740 0.133 0.000 2.102 57 C HN 0.563 nan 8.230 nan 0.000 0.479 58 T N 2.138 116.777 114.554 0.142 0.000 2.799 58 T HA 0.397 4.754 4.350 0.012 0.000 0.286 58 T C -0.104 174.585 174.700 -0.019 0.000 0.973 58 T CA -0.304 61.842 62.100 0.077 0.000 1.035 58 T CB 0.232 69.114 68.868 0.023 0.000 0.932 58 T HN 0.754 nan 8.240 nan 0.000 0.469 59 R N 3.881 124.281 120.500 -0.167 0.000 2.390 59 R HA 0.331 4.678 4.340 0.012 0.000 0.291 59 R C -0.428 175.509 176.300 -0.605 0.000 1.070 59 R CA -0.351 55.341 56.100 -0.680 0.000 1.014 59 R CB 0.347 30.168 30.300 -0.798 0.000 1.007 59 R HN 0.556 nan 8.270 nan 0.000 0.466 60 K N 5.792 125.702 120.400 -0.817 0.000 2.449 60 K HA 0.230 4.557 4.320 0.012 0.000 0.257 60 K C -0.754 175.186 176.600 -1.101 0.000 0.989 60 K CA -0.563 55.167 56.287 -0.928 0.000 0.916 60 K CB 1.584 33.398 32.500 -1.143 0.000 1.136 60 K HN 0.510 nan 8.250 nan 0.000 0.439 61 L N 4.743 125.463 121.223 -0.837 0.000 2.281 61 L HA 0.346 4.693 4.340 0.012 0.000 0.285 61 L C -0.839 175.592 176.870 -0.731 0.000 1.074 61 L CA -0.396 54.060 54.840 -0.640 0.000 0.817 61 L CB 0.143 41.960 42.059 -0.403 0.000 1.168 61 L HN 0.452 nan 8.230 nan 0.000 0.434 62 F N 2.597 122.320 119.950 -0.379 0.000 2.379 62 F HA 0.298 4.832 4.527 0.013 0.000 0.332 62 F C 1.318 176.952 175.800 -0.278 0.000 1.096 62 F CA -0.187 57.613 58.000 -0.333 0.000 1.105 62 F CB 1.485 40.270 39.000 -0.358 0.000 1.189 62 F HN 0.606 nan 8.300 nan 0.000 0.515 63 A N 2.242 125.044 122.820 -0.030 0.000 1.933 63 A HA -0.069 4.258 4.320 0.012 0.000 0.218 63 A C 0.323 177.853 177.584 -0.090 0.000 1.175 63 A CA 1.972 53.966 52.037 -0.072 0.000 0.628 63 A CB -0.897 18.075 19.000 -0.047 0.000 0.814 63 A HN 0.910 nan 8.150 nan 0.000 0.444 64 N N -4.759 113.886 118.700 -0.091 0.000 3.179 64 N HA 0.382 5.129 4.740 0.012 0.000 0.250 64 N C -0.041 175.330 175.510 -0.232 0.000 1.507 64 N CA -0.478 52.486 53.050 -0.145 0.000 0.883 64 N CB 0.198 38.627 38.487 -0.097 0.000 1.435 64 N HN -0.083 nan 8.380 nan 0.000 0.532 65 M N -0.382 119.058 119.600 -0.267 0.000 2.319 65 M HA 0.102 4.589 4.480 0.012 0.000 0.265 65 M C 1.603 177.743 176.300 -0.266 0.000 1.068 65 M CA 1.235 56.274 55.300 -0.436 0.000 1.118 65 M CB -0.224 32.195 32.600 -0.302 0.000 1.395 65 M HN 0.476 nan 8.290 nan 0.000 0.435 66 R N 0.319 120.742 120.500 -0.129 0.000 2.073 66 R HA -0.107 4.240 4.340 0.012 0.000 0.229 66 R C 1.642 177.894 176.300 -0.080 0.000 1.120 66 R CA 1.292 57.357 56.100 -0.059 0.000 0.967 66 R CB -0.285 29.999 30.300 -0.028 0.000 0.862 66 R HN 0.270 nan 8.270 nan 0.000 0.436 67 D N 0.759 121.099 120.400 -0.099 0.000 2.116 67 D HA -0.178 4.469 4.640 0.012 0.000 0.193 67 D C 1.807 177.914 176.300 -0.322 0.000 0.998 67 D CA 1.716 55.669 54.000 -0.077 0.000 0.836 67 D CB -0.338 40.487 40.800 0.041 0.000 0.951 67 D HN 0.261 nan 8.370 nan 0.000 0.449 68 A N 0.675 123.104 122.820 -0.651 0.000 1.908 68 A HA -0.198 4.129 4.320 0.012 0.000 0.218 68 A C 2.323 179.726 177.584 -0.302 0.000 1.181 68 A CA 2.643 54.007 52.037 -1.122 0.000 0.627 68 A CB -0.786 17.611 19.000 -1.006 0.000 0.818 68 A HN 0.348 nan 8.150 nan 0.000 0.445 69 S N -1.348 114.337 115.700 -0.026 0.000 2.387 69 S HA -0.170 4.308 4.470 0.012 0.000 0.226 69 S C 1.908 176.529 174.600 0.036 0.000 1.026 69 S CA 1.320 59.583 58.200 0.106 0.000 0.972 69 S CB -0.361 62.930 63.200 0.152 0.000 0.814 69 S HN 0.480 nan 8.310 nan 0.000 0.477 70 Q N 0.106 119.912 119.800 0.011 0.000 2.167 70 Q HA -0.003 4.345 4.340 0.012 0.000 0.202 70 Q C 1.589 177.624 176.000 0.057 0.000 0.970 70 Q CA 1.226 57.044 55.803 0.025 0.000 0.855 70 Q CB -0.772 27.983 28.738 0.028 0.000 0.911 70 Q HN 0.872 nan 8.270 nan 0.000 0.438 71 W N 1.239 122.464 121.300 -0.125 0.000 2.363 71 W HA -0.123 4.543 4.660 0.012 0.000 0.296 71 W C 1.701 178.197 176.519 -0.038 0.000 1.212 71 W CA 1.172 58.480 57.345 -0.061 0.000 1.260 71 W CB -0.259 29.151 29.460 -0.083 0.000 1.131 71 W HN 0.048 nan 8.180 nan 0.000 0.530 72 I N 0.712 121.287 120.570 0.008 0.000 2.226 72 I HA -0.342 3.835 4.170 0.012 0.000 0.245 72 I C 2.324 178.326 176.117 -0.193 0.000 1.100 72 I CA 1.621 62.840 61.300 -0.135 0.000 1.374 72 I CB -0.646 37.361 38.000 0.011 0.000 1.057 72 I HN -0.037 nan 8.210 nan 0.000 0.413 73 K N 0.590 120.921 120.400 -0.115 0.000 2.057 73 K HA -0.130 4.197 4.320 0.012 0.000 0.207 73 K C 2.264 178.779 176.600 -0.141 0.000 1.049 73 K CA 1.217 57.443 56.287 -0.103 0.000 0.931 73 K CB -0.128 32.339 32.500 -0.054 0.000 0.714 73 K HN 0.283 nan 8.250 nan 0.000 0.440 74 R N 0.036 120.432 120.500 -0.174 0.000 2.092 74 R HA -0.001 4.346 4.340 0.012 0.000 0.231 74 R C 2.227 178.366 176.300 -0.269 0.000 1.119 74 R CA 1.029 57.018 56.100 -0.186 0.000 0.970 74 R CB -0.118 30.094 30.300 -0.147 0.000 0.864 74 R HN 0.177 nan 8.270 nan 0.000 0.440 75 M N 0.435 119.769 119.600 -0.443 0.000 2.319 75 M HA -0.083 4.404 4.480 0.012 0.000 0.265 75 M C 1.627 177.777 176.300 -0.251 0.000 1.068 75 M CA 1.537 56.570 55.300 -0.444 0.000 1.118 75 M CB -0.437 31.723 32.600 -0.734 0.000 1.395 75 M HN 0.159 nan 8.290 nan 0.000 0.435 76 E N 0.385 120.462 120.200 -0.205 0.000 2.072 76 E HA -0.169 4.188 4.350 0.012 0.000 0.190 76 E C 1.583 178.120 176.600 -0.104 0.000 0.982 76 E CA 0.977 57.297 56.400 -0.133 0.000 0.803 76 E CB -0.020 29.613 29.700 -0.111 0.000 0.755 76 E HN 0.392 nan 8.360 nan 0.000 0.453 77 D N 0.794 121.132 120.400 -0.103 0.000 2.133 77 D HA -0.173 4.474 4.640 0.012 0.000 0.195 77 D C 1.873 178.130 176.300 -0.070 0.000 0.997 77 D CA 1.074 55.028 54.000 -0.076 0.000 0.840 77 D CB -0.119 40.639 40.800 -0.070 0.000 0.947 77 D HN 0.206 nan 8.370 nan 0.000 0.452 78 I N -0.609 119.909 120.570 -0.087 0.000 2.617 78 I HA 0.012 4.189 4.170 0.012 0.000 0.256 78 I C 1.184 177.264 176.117 -0.060 0.000 1.167 78 I CA 0.699 61.958 61.300 -0.069 0.000 1.469 78 I CB 0.055 38.009 38.000 -0.077 0.000 1.098 78 I HN 0.100 nan 8.210 nan 0.000 0.436 79 G N 1.935 110.690 108.800 -0.074 0.000 2.356 79 G HA2 -0.183 3.784 3.960 0.012 0.000 0.233 79 G HA3 -0.183 3.784 3.960 0.012 0.000 0.233 79 G C -0.400 174.471 174.900 -0.048 0.000 1.105 79 G CA -0.463 44.602 45.100 -0.058 0.000 0.861 79 G HN 0.208 nan 8.290 nan 0.000 0.493 80 L N -0.553 120.628 121.223 -0.070 0.000 2.422 80 L HA 0.537 4.884 4.340 0.012 0.000 0.264 80 L C 0.368 177.201 176.870 -0.062 0.000 0.984 80 L CA -0.995 53.820 54.840 -0.042 0.000 0.819 80 L CB 2.244 44.278 42.059 -0.041 0.000 1.330 80 L HN 0.298 nan 8.230 nan 0.000 0.410 81 E N 1.874 122.083 120.200 0.015 0.000 2.299 81 E HA 0.347 4.704 4.350 0.012 0.000 0.272 81 E C -0.576 176.027 176.600 0.004 0.000 1.043 81 E CA -0.375 56.037 56.400 0.020 0.000 0.895 81 E CB 1.168 30.928 29.700 0.101 0.000 1.011 81 E HN 0.596 nan 8.360 nan 0.000 0.432 82 A N 5.992 128.795 122.820 -0.029 0.000 2.366 82 A HA 0.343 4.670 4.320 0.012 0.000 0.322 82 A C -0.655 177.048 177.584 0.198 0.000 1.397 82 A CA -0.558 51.526 52.037 0.079 0.000 0.984 82 A CB 0.089 19.043 19.000 -0.077 0.000 1.149 82 A HN 0.595 nan 8.150 nan 0.000 0.540 83 L N 2.116 123.500 121.223 0.269 0.000 2.439 83 L HA 0.785 5.132 4.340 0.012 0.000 0.259 83 L C 1.001 178.065 176.870 0.323 0.000 1.129 83 L CA 1.014 55.980 54.840 0.210 0.000 0.803 83 L CB 1.052 43.182 42.059 0.118 0.000 1.161 83 L HN 1.165 nan 8.230 nan 0.000 0.462 84 G N 1.521 110.455 108.800 0.223 0.000 2.612 84 G HA2 -0.058 3.909 3.960 0.012 0.000 0.686 84 G HA3 -0.058 3.909 3.960 0.012 0.000 0.686 84 G C -0.862 174.071 174.900 0.055 0.000 1.274 84 G CA -0.691 44.566 45.100 0.262 0.000 0.849 84 G HN 0.570 nan 8.290 nan 0.000 0.595 85 M N 2.296 121.837 119.600 -0.099 0.000 2.435 85 M HA 0.260 4.747 4.480 0.012 0.000 0.338 85 M C 1.566 177.715 176.300 -0.251 0.000 1.628 85 M CA -0.033 55.030 55.300 -0.394 0.000 1.215 85 M CB -0.022 31.938 32.600 -1.066 0.000 1.905 85 M HN 0.605 nan 8.290 nan 0.000 0.457 86 D N 1.650 121.858 120.400 -0.320 0.000 2.349 86 D HA -0.069 4.578 4.640 0.012 0.000 0.215 86 D C -0.389 175.389 176.300 -0.869 0.000 1.016 86 D CA 0.169 53.834 54.000 -0.558 0.000 0.870 86 D CB -0.162 40.449 40.800 -0.314 0.000 0.917 86 D HN 0.536 nan 8.370 nan 0.000 0.524 87 D N 0.097 120.188 120.400 -0.516 0.000 2.441 87 D HA 0.025 4.672 4.640 0.012 0.000 0.221 87 D C 0.393 176.558 176.300 -0.226 0.000 1.156 87 D CA -0.650 53.129 54.000 -0.368 0.000 0.896 87 D CB 0.120 40.813 40.800 -0.177 0.000 1.028 87 D HN -0.136 nan 8.370 nan 0.000 0.509 88 F N 2.745 122.722 119.950 0.046 0.000 2.293 88 F HA -0.114 4.420 4.527 0.012 0.000 0.300 88 F C 2.401 178.277 175.800 0.127 0.000 1.086 88 F CA 0.732 58.810 58.000 0.130 0.000 1.375 88 F CB -0.322 38.774 39.000 0.160 0.000 1.045 88 F HN 0.458 nan 8.300 nan 0.000 0.516 89 K N 0.606 121.126 120.400 0.200 0.000 2.217 89 K HA -0.078 4.249 4.320 0.012 0.000 0.202 89 K C 1.808 178.481 176.600 0.123 0.000 1.051 89 K CA 1.263 57.623 56.287 0.122 0.000 0.952 89 K CB -0.733 31.804 32.500 0.061 0.000 0.736 89 K HN 0.318 nan 8.250 nan 0.000 0.453 90 L N 1.130 122.415 121.223 0.103 0.000 2.093 90 L HA -0.084 4.263 4.340 0.012 0.000 0.208 90 L C 2.849 179.898 176.870 0.299 0.000 1.085 90 L CA 1.157 56.083 54.840 0.143 0.000 0.755 90 L CB -0.695 41.422 42.059 0.097 0.000 0.904 90 L HN 0.285 nan 8.230 nan 0.000 0.435 91 A N -0.523 122.474 122.820 0.296 0.000 1.930 91 A HA -0.270 4.057 4.320 0.012 0.000 0.217 91 A C 2.203 179.930 177.584 0.238 0.000 1.175 91 A CA 1.319 53.628 52.037 0.455 0.000 0.627 91 A CB -0.841 18.465 19.000 0.510 0.000 0.815 91 A HN 0.462 nan 8.150 nan 0.000 0.443 92 Y N 0.629 120.823 120.300 -0.178 0.000 2.097 92 Y HA -0.233 4.324 4.550 0.012 0.000 0.282 92 Y C 2.005 177.779 175.900 -0.210 0.000 1.152 92 Y CA 2.130 59.889 58.100 -0.568 0.000 1.136 92 Y CB -0.278 37.787 38.460 -0.658 0.000 0.975 92 Y HN 0.217 nan 8.280 nan 0.000 0.498 93 L N -0.889 120.268 121.223 -0.110 0.000 2.083 93 L HA -0.235 4.112 4.340 0.012 0.000 0.209 93 L C 2.795 179.641 176.870 -0.040 0.000 1.083 93 L CA 1.532 56.322 54.840 -0.084 0.000 0.752 93 L CB -0.786 41.186 42.059 -0.144 0.000 0.899 93 L HN 0.244 nan 8.230 nan 0.000 0.433 94 S N -0.503 115.195 115.700 -0.004 0.000 2.368 94 S HA -0.182 4.295 4.470 0.012 0.000 0.224 94 S C 1.622 176.170 174.600 -0.088 0.000 1.029 94 S CA 1.400 59.585 58.200 -0.026 0.000 0.988 94 S CB -0.106 63.114 63.200 0.033 0.000 0.838 94 S HN 0.402 nan 8.310 nan 0.000 0.462 95 D N 0.242 120.583 120.400 -0.098 0.000 2.162 95 D HA 0.012 4.659 4.640 0.012 0.000 0.203 95 D C 1.894 178.035 176.300 -0.265 0.000 0.967 95 D CA 1.199 55.133 54.000 -0.109 0.000 0.840 95 D CB -0.469 40.330 40.800 -0.002 0.000 0.972 95 D HN 0.395 nan 8.370 nan 0.000 0.482 96 T N -0.663 113.596 114.554 -0.492 0.000 3.014 96 T HA -0.066 4.291 4.350 0.012 0.000 0.263 96 T C 0.337 174.462 174.700 -0.958 0.000 1.078 96 T CA 0.630 62.274 62.100 -0.761 0.000 1.135 96 T CB 0.021 68.208 68.868 -1.136 0.000 0.895 96 T HN 0.140 nan 8.240 nan 0.000 0.480 97 Y N 1.634 121.716 120.300 -0.364 0.000 2.747 97 Y HA 0.426 4.983 4.550 0.012 0.000 0.362 97 Y C 0.594 176.130 175.900 -0.607 0.000 1.026 97 Y CA -1.232 56.492 58.100 -0.625 0.000 1.135 97 Y CB -0.018 38.188 38.460 -0.423 0.000 1.175 97 Y HN -0.078 nan 8.280 nan 0.000 0.643 98 N N 2.243 120.723 118.700 -0.367 0.000 2.484 98 N HA 0.039 4.787 4.740 0.012 0.000 0.245 98 N C -1.303 174.209 175.510 0.004 0.000 1.184 98 N CA 0.113 53.083 53.050 -0.133 0.000 0.884 98 N CB -0.483 37.981 38.487 -0.038 0.000 1.182 98 N HN 0.558 nan 8.380 nan 0.000 0.493 99 Y N -2.820 117.527 120.300 0.079 0.000 2.655 99 Y HA 0.443 5.001 4.550 0.012 0.000 0.336 99 Y C -0.140 175.812 175.900 0.085 0.000 1.154 99 Y CA -1.530 56.613 58.100 0.071 0.000 1.055 99 Y CB 0.516 39.022 38.460 0.077 0.000 1.295 99 Y HN -0.130 nan 8.280 nan 0.000 0.465 100 E N 2.048 122.428 120.200 0.301 0.000 2.292 100 E HA 0.211 4.568 4.350 0.012 0.000 0.265 100 E C -0.795 176.004 176.600 0.330 0.000 1.093 100 E CA -0.176 56.359 56.400 0.224 0.000 0.922 100 E CB 0.321 30.123 29.700 0.170 0.000 1.001 100 E HN 0.573 nan 8.360 nan 0.000 0.444 101 I N 4.841 125.568 120.570 0.261 0.000 2.533 101 I HA 0.002 4.179 4.170 0.012 0.000 0.284 101 I C 0.310 176.491 176.117 0.107 0.000 1.109 101 I CA 0.182 61.627 61.300 0.242 0.000 1.412 101 I CB 0.467 38.522 38.000 0.092 0.000 1.396 101 I HN 0.310 nan 8.210 nan 0.000 0.543 102 K N 7.447 127.878 120.400 0.052 0.000 2.347 102 K HA 0.277 4.604 4.320 0.012 0.000 0.262 102 K C -0.848 175.539 176.600 -0.355 0.000 1.052 102 K CA -0.441 55.774 56.287 -0.119 0.000 0.946 102 K CB 0.409 32.867 32.500 -0.070 0.000 1.220 102 K HN 0.339 nan 8.250 nan 0.000 0.450 103 Y N -0.407 119.471 120.300 -0.703 0.000 2.354 103 Y HA 0.628 5.185 4.550 0.012 0.000 0.322 103 Y C -0.255 175.214 175.900 -0.718 0.000 1.253 103 Y CA -1.387 55.900 58.100 -1.355 0.000 1.272 103 Y CB 1.036 38.530 38.460 -1.611 0.000 1.255 103 Y HN 0.367 nan 8.280 nan 0.000 0.500 104 D N 0.972 121.025 120.400 -0.579 0.000 2.454 104 D HA 0.117 4.764 4.640 0.012 0.000 0.247 104 D C 0.520 176.835 176.300 0.026 0.000 1.129 104 D CA -0.604 53.298 54.000 -0.164 0.000 0.877 104 D CB 0.001 40.795 40.800 -0.010 0.000 1.082 104 D HN 0.855 nan 8.370 nan 0.000 0.537 105 H N 0.964 120.092 119.070 0.096 0.000 2.390 105 H HA -0.177 4.386 4.556 0.012 0.000 0.298 105 H C 1.568 176.993 175.328 0.162 0.000 1.106 105 H CA 2.092 58.263 56.048 0.204 0.000 1.297 105 H CB -0.497 29.391 29.762 0.209 0.000 1.375 105 H HN 0.311 nan 8.280 nan 0.000 0.509 106 T N -1.978 112.243 114.554 -0.554 0.000 3.077 106 T HA -0.058 4.299 4.350 0.012 0.000 0.269 106 T C 1.368 176.040 174.700 -0.046 0.000 1.146 106 T CA 0.787 62.717 62.100 -0.283 0.000 1.091 106 T CB -0.117 68.564 68.868 -0.311 0.000 0.892 106 T HN 0.336 nan 8.240 nan 0.000 0.533 107 K N 0.455 120.887 120.400 0.052 0.000 2.361 107 K HA 0.376 4.703 4.320 0.012 0.000 0.194 107 K C 0.626 177.310 176.600 0.140 0.000 1.032 107 K CA 0.006 56.361 56.287 0.113 0.000 1.048 107 K CB 0.423 33.046 32.500 0.205 0.000 0.842 107 K HN 0.495 nan 8.250 nan 0.000 0.526 108 I N 2.025 122.711 120.570 0.193 0.000 2.331 108 I HA 0.198 4.375 4.170 0.012 0.000 0.292 108 I C 0.507 176.695 176.117 0.118 0.000 0.998 108 I CA -0.679 60.738 61.300 0.195 0.000 1.267 108 I CB 1.079 39.248 38.000 0.282 0.000 1.386 108 I HN -0.163 nan 8.210 nan 0.000 0.476 109 R N 6.283 126.818 120.500 0.059 0.000 2.419 109 R HA 0.337 4.684 4.340 0.012 0.000 0.305 109 R C -1.202 175.112 176.300 0.024 0.000 1.242 109 R CA -0.342 55.763 56.100 0.008 0.000 1.105 109 R CB 0.261 30.518 30.300 -0.071 0.000 1.116 109 R HN 0.472 nan 8.270 nan 0.000 0.523 110 V N 4.075 124.034 119.914 0.076 0.000 2.385 110 V HA 0.402 4.529 4.120 0.012 0.000 0.269 110 V C 0.322 176.473 176.094 0.096 0.000 1.043 110 V CA -0.528 61.839 62.300 0.111 0.000 0.906 110 V CB 1.098 33.029 31.823 0.180 0.000 0.995 110 V HN 0.795 nan 8.190 nan 0.000 0.467 111 A N 4.567 127.419 122.820 0.055 0.000 2.330 111 A HA 0.785 5.112 4.320 0.012 0.000 0.327 111 A C -0.315 177.333 177.584 0.107 0.000 1.155 111 A CA -0.625 51.404 52.037 -0.012 0.000 0.803 111 A CB 1.000 19.878 19.000 -0.203 0.000 1.208 111 A HN 0.749 nan 8.150 nan 0.000 0.477 112 N N 1.511 120.310 118.700 0.165 0.000 2.461 112 N HA 0.620 5.367 4.740 0.012 0.000 0.284 112 N C -1.325 174.411 175.510 0.377 0.000 1.049 112 N CA -0.618 52.613 53.050 0.302 0.000 0.889 112 N CB 0.861 39.516 38.487 0.278 0.000 1.365 112 N HN 0.516 nan 8.380 nan 0.000 0.499 113 F N 0.765 120.811 119.950 0.161 0.000 2.593 113 F HA 0.822 5.355 4.527 0.011 0.000 0.320 113 F C -0.959 174.994 175.800 0.255 0.000 1.060 113 F CA -1.375 56.766 58.000 0.235 0.000 0.940 113 F CB 1.396 40.587 39.000 0.318 0.000 1.268 113 F HN 0.289 nan 8.300 nan 0.000 0.475 114 D N 1.620 122.050 120.400 0.051 0.000 2.732 114 D HA 0.645 5.292 4.640 0.012 0.000 0.229 114 D C -1.223 175.064 176.300 -0.020 0.000 1.152 114 D CA -0.462 53.483 54.000 -0.092 0.000 0.854 114 D CB 2.398 43.221 40.800 0.038 0.000 1.590 114 D HN 0.852 nan 8.370 nan 0.000 0.468 115 I N -1.143 119.403 120.570 -0.039 0.000 2.846 115 I HA 0.727 4.904 4.170 0.012 0.000 0.307 115 I C -1.037 175.093 176.117 0.022 0.000 1.053 115 I CA -0.690 60.620 61.300 0.018 0.000 1.050 115 I CB 2.232 40.240 38.000 0.014 0.000 1.239 115 I HN 0.071 nan 8.210 nan 0.000 0.439 116 E N 3.812 124.010 120.200 -0.003 0.000 2.222 116 E HA 0.644 5.001 4.350 0.012 0.000 0.267 116 E C -1.320 175.323 176.600 0.071 0.000 0.884 116 E CA -0.727 55.663 56.400 -0.017 0.000 0.764 116 E CB 2.812 32.393 29.700 -0.199 0.000 1.169 116 E HN 0.532 nan 8.360 nan 0.000 0.413 117 V N 2.119 122.069 119.914 0.059 0.000 2.612 117 V HA 0.265 4.392 4.120 0.012 0.000 0.301 117 V C -0.181 175.942 176.094 0.049 0.000 1.059 117 V CA -0.805 61.512 62.300 0.029 0.000 0.886 117 V CB 2.131 33.820 31.823 -0.224 0.000 1.007 117 V HN 0.599 nan 8.190 nan 0.000 0.426 118 T N 3.196 117.816 114.554 0.111 0.000 2.869 118 T HA 0.443 4.800 4.350 0.012 0.000 0.295 118 T C 0.113 174.677 174.700 -0.228 0.000 0.987 118 T CA -0.044 62.053 62.100 -0.004 0.000 1.109 118 T CB 1.170 70.062 68.868 0.041 0.000 0.932 118 T HN 0.718 nan 8.240 nan 0.000 0.518 119 S N 3.482 118.957 115.700 -0.376 0.000 2.776 119 S HA 0.410 4.887 4.470 0.012 0.000 0.284 119 S C -1.879 172.461 174.600 -0.433 0.000 1.160 119 S CA -1.450 56.370 58.200 -0.633 0.000 1.051 119 S CB 1.322 64.158 63.200 -0.607 0.000 1.037 119 S HN 0.417 nan 8.310 nan 0.000 0.485 120 P HA 0.012 nan 4.420 nan 0.000 0.219 120 P C 0.281 177.502 177.300 -0.132 0.000 1.150 120 P CA 1.009 63.951 63.100 -0.263 0.000 0.814 120 P CB -0.155 31.382 31.700 -0.271 0.000 0.787 121 D N -0.680 119.658 120.400 -0.103 0.000 2.706 121 D HA 0.343 4.990 4.640 0.012 0.000 0.236 121 D C 1.050 177.370 176.300 0.033 0.000 1.231 121 D CA -0.311 53.691 54.000 0.004 0.000 0.828 121 D CB -0.263 40.585 40.800 0.079 0.000 1.015 121 D HN 0.266 nan 8.370 nan 0.000 0.484 122 G N 0.147 108.950 108.800 0.006 0.000 2.443 122 G HA2 -0.146 3.821 3.960 0.012 0.000 0.209 122 G HA3 -0.146 3.821 3.960 0.012 0.000 0.209 122 G C -1.034 173.925 174.900 0.098 0.000 1.176 122 G CA -0.631 44.517 45.100 0.079 0.000 1.074 122 G HN 0.278 nan 8.290 nan 0.000 0.577 123 F N 4.737 124.716 119.950 0.047 0.000 2.420 123 F HA 0.591 5.121 4.527 0.005 0.000 0.352 123 F C -1.291 174.598 175.800 0.148 0.000 1.108 123 F CA -1.837 56.201 58.000 0.064 0.000 1.162 123 F CB 1.362 40.400 39.000 0.063 0.000 1.118 123 F HN 0.277 nan 8.300 nan 0.000 0.510 124 P HA 0.016 nan 4.420 nan 0.000 0.268 124 P C -0.904 176.491 177.300 0.157 0.000 1.485 124 P CA 0.031 63.083 63.100 -0.079 0.000 1.102 124 P CB 0.251 31.858 31.700 -0.155 0.000 1.501 125 E N 4.586 124.994 120.200 0.347 0.000 2.299 125 E HA 0.045 4.402 4.350 0.012 0.000 0.272 125 E C -1.537 175.259 176.600 0.327 0.000 1.043 125 E CA -1.599 55.049 56.400 0.414 0.000 0.895 125 E CB 0.614 30.505 29.700 0.318 0.000 1.011 125 E HN 0.323 nan 8.360 nan 0.000 0.432 126 P HA -0.101 nan 4.420 nan 0.000 0.218 126 P C 1.205 178.482 177.300 -0.038 0.000 1.148 126 P CA 0.997 64.160 63.100 0.104 0.000 0.822 126 P CB 0.379 32.165 31.700 0.143 0.000 0.784 127 S N -0.592 115.136 115.700 0.047 0.000 2.368 127 S HA -0.194 4.283 4.470 0.012 0.000 0.225 127 S C 1.924 176.507 174.600 -0.029 0.000 1.030 127 S CA 1.192 59.403 58.200 0.018 0.000 0.999 127 S CB -0.671 62.559 63.200 0.051 0.000 0.844 127 S HN 0.318 nan 8.310 nan 0.000 0.459 128 Q N 0.384 120.172 119.800 -0.019 0.000 2.062 128 Q HA 0.222 4.569 4.340 0.012 0.000 0.196 128 Q C 1.180 177.088 176.000 -0.153 0.000 0.967 128 Q CA 0.710 56.484 55.803 -0.048 0.000 0.832 128 Q CB -0.392 28.351 28.738 0.009 0.000 0.899 128 Q HN 0.512 nan 8.270 nan 0.000 0.442 129 A N 2.275 124.939 122.820 -0.259 0.000 2.415 129 A HA -0.251 4.076 4.320 0.012 0.000 0.292 129 A C 1.040 178.468 177.584 -0.260 0.000 1.452 129 A CA 1.422 53.091 52.037 -0.615 0.000 0.750 129 A CB -1.718 16.714 19.000 -0.947 0.000 1.099 129 A HN 0.562 nan 8.150 nan 0.000 0.391 130 K N -0.769 119.563 120.400 -0.112 0.000 2.404 130 K HA 0.197 4.524 4.320 0.012 0.000 0.194 130 K C 0.250 176.693 176.600 -0.261 0.000 1.023 130 K CA 0.651 56.813 56.287 -0.208 0.000 1.094 130 K CB 0.165 32.509 32.500 -0.261 0.000 0.841 130 K HN 0.776 nan 8.250 nan 0.000 0.523 131 H N 1.198 120.410 119.070 0.237 0.000 2.529 131 H HA 0.355 4.919 4.556 0.013 0.000 0.348 131 H C -2.633 172.859 175.328 0.272 0.000 1.152 131 H CA -2.282 53.944 56.048 0.296 0.000 1.202 131 H CB 1.336 31.303 29.762 0.342 0.000 1.562 131 H HN -0.050 nan 8.280 nan 0.000 0.515 132 P HA 0.029 nan 4.420 nan 0.000 0.268 132 P C -0.248 177.184 177.300 0.220 0.000 1.205 132 P CA 0.050 63.259 63.100 0.182 0.000 0.771 132 P CB 0.629 32.372 31.700 0.072 0.000 0.858 133 I N 3.373 124.052 120.570 0.183 0.000 2.363 133 I HA 0.018 4.195 4.170 0.012 0.000 0.292 133 I C 0.799 176.988 176.117 0.121 0.000 1.075 133 I CA 0.345 61.726 61.300 0.134 0.000 1.333 133 I CB 0.381 38.442 38.000 0.101 0.000 1.415 133 I HN 0.423 nan 8.210 nan 0.000 0.502 134 D N 4.694 125.193 120.400 0.165 0.000 2.363 134 D HA 0.373 5.020 4.640 0.012 0.000 0.214 134 D C 0.029 176.488 176.300 0.265 0.000 1.093 134 D CA -0.181 53.948 54.000 0.215 0.000 0.837 134 D CB 0.684 41.632 40.800 0.246 0.000 0.948 134 D HN 0.402 nan 8.370 nan 0.000 0.507 135 A N 0.019 122.951 122.820 0.186 0.000 2.573 135 A HA 0.603 4.930 4.320 0.012 0.000 0.299 135 A C -1.800 175.840 177.584 0.092 0.000 1.060 135 A CA -0.837 51.297 52.037 0.162 0.000 0.736 135 A CB 0.725 19.803 19.000 0.131 0.000 1.280 135 A HN 0.138 nan 8.150 nan 0.000 0.401 136 I N 1.485 122.138 120.570 0.139 0.000 2.534 136 I HA 0.445 4.622 4.170 0.012 0.000 0.288 136 I C -0.342 175.973 176.117 0.330 0.000 1.077 136 I CA -0.342 61.042 61.300 0.140 0.000 1.051 136 I CB 2.699 40.604 38.000 -0.159 0.000 1.234 136 I HN 0.559 nan 8.210 nan 0.000 0.425 137 T N 3.550 118.303 114.554 0.332 0.000 2.794 137 T HA 0.356 4.713 4.350 0.012 0.000 0.280 137 T C -0.941 174.130 174.700 0.618 0.000 0.987 137 T CA -0.380 61.987 62.100 0.444 0.000 0.993 137 T CB 0.634 69.695 68.868 0.321 0.000 0.939 137 T HN 0.512 nan 8.240 nan 0.000 0.449 138 H N 2.246 121.690 119.070 0.624 0.000 2.991 138 H HA 0.401 4.964 4.556 0.011 0.000 0.304 138 H C -1.423 174.273 175.328 0.612 0.000 1.040 138 H CA -0.775 55.682 56.048 0.681 0.000 1.410 138 H CB 0.437 30.672 29.762 0.787 0.000 1.529 138 H HN 0.683 nan 8.280 nan 0.000 0.509 139 Y N 4.549 125.027 120.300 0.297 0.000 2.319 139 Y HA 0.212 4.769 4.550 0.011 0.000 0.328 139 Y C -0.547 175.435 175.900 0.137 0.000 1.133 139 Y CA -0.200 57.922 58.100 0.036 0.000 1.265 139 Y CB 0.796 39.034 38.460 -0.370 0.000 1.218 139 Y HN 0.636 nan 8.280 nan 0.000 0.508 140 D N 3.803 123.873 120.400 -0.550 0.000 2.408 140 D HA 0.102 4.749 4.640 0.012 0.000 0.243 140 D C 0.314 176.181 176.300 -0.722 0.000 1.075 140 D CA -0.037 53.756 54.000 -0.345 0.000 0.832 140 D CB 1.866 42.706 40.800 0.066 0.000 1.162 140 D HN 0.775 nan 8.370 nan 0.000 0.515 141 S N 3.532 119.027 115.700 -0.341 0.000 2.428 141 S HA -0.070 4.408 4.470 0.012 0.000 0.230 141 S C 2.016 176.596 174.600 -0.034 0.000 1.014 141 S CA 0.246 58.396 58.200 -0.083 0.000 0.957 141 S CB -0.086 63.224 63.200 0.182 0.000 0.784 141 S HN 0.619 nan 8.310 nan 0.000 0.499 142 I N 2.073 122.611 120.570 -0.052 0.000 2.193 142 I HA -0.109 4.069 4.170 0.012 0.000 0.240 142 I C 1.979 178.085 176.117 -0.018 0.000 1.084 142 I CA 1.454 62.742 61.300 -0.019 0.000 1.365 142 I CB -0.440 37.544 38.000 -0.027 0.000 1.064 142 I HN 0.217 nan 8.210 nan 0.000 0.410 143 D N 0.276 120.659 120.400 -0.027 0.000 2.219 143 D HA -0.170 4.477 4.640 0.012 0.000 0.205 143 D C 0.605 176.892 176.300 -0.022 0.000 0.970 143 D CA 1.077 55.087 54.000 0.017 0.000 0.851 143 D CB -0.386 40.493 40.800 0.132 0.000 0.943 143 D HN 0.232 nan 8.370 nan 0.000 0.488 144 D N -0.086 120.237 120.400 -0.128 0.000 2.746 144 D HA -0.168 4.479 4.640 0.012 0.000 0.236 144 D C -0.889 175.368 176.300 -0.072 0.000 1.129 144 D CA 0.515 54.468 54.000 -0.080 0.000 0.691 144 D CB -0.380 40.480 40.800 0.099 0.000 1.077 144 D HN 0.045 nan 8.370 nan 0.000 0.432 145 R N -0.009 120.315 120.500 -0.292 0.000 2.744 145 R HA 0.532 4.880 4.340 0.012 0.000 0.279 145 R C -0.531 175.623 176.300 -0.244 0.000 0.977 145 R CA -0.644 55.333 56.100 -0.205 0.000 0.906 145 R CB 0.714 30.798 30.300 -0.359 0.000 1.197 145 R HN 0.001 nan 8.270 nan 0.000 0.463 146 F N 2.122 122.060 119.950 -0.020 0.000 2.385 146 F HA 0.374 4.907 4.527 0.011 0.000 0.360 146 F C -0.045 175.725 175.800 -0.050 0.000 1.122 146 F CA -0.521 57.566 58.000 0.145 0.000 1.090 146 F CB 0.799 39.896 39.000 0.162 0.000 1.150 146 F HN 0.288 nan 8.300 nan 0.000 0.472 147 Y N 2.702 123.216 120.300 0.357 0.000 2.367 147 Y HA 0.517 5.074 4.550 0.012 0.000 0.342 147 Y C -0.187 175.811 175.900 0.164 0.000 0.979 147 Y CA -0.908 57.272 58.100 0.134 0.000 1.161 147 Y CB 1.175 39.622 38.460 -0.022 0.000 1.155 147 Y HN 0.196 nan 8.280 nan 0.000 0.503 148 V N 5.470 125.432 119.914 0.079 0.000 2.370 148 V HA 0.336 4.463 4.120 0.012 0.000 0.283 148 V C -0.752 175.291 176.094 -0.085 0.000 1.023 148 V CA -0.949 61.410 62.300 0.098 0.000 0.857 148 V CB 0.579 32.408 31.823 0.011 0.000 0.985 148 V HN 0.446 nan 8.190 nan 0.000 0.443 149 F N 2.972 123.001 119.950 0.130 0.000 2.402 149 F HA 0.535 5.070 4.527 0.013 0.000 0.355 149 F C 0.022 175.941 175.800 0.198 0.000 1.123 149 F CA -0.845 57.289 58.000 0.223 0.000 1.021 149 F CB 1.495 40.566 39.000 0.118 0.000 1.160 149 F HN 0.446 nan 8.300 nan 0.000 0.451 150 D N 3.807 124.432 120.400 0.376 0.000 2.481 150 D HA 0.305 4.952 4.640 0.012 0.000 0.246 150 D C -1.373 175.151 176.300 0.374 0.000 1.109 150 D CA -0.545 53.662 54.000 0.345 0.000 0.845 150 D CB 1.458 42.467 40.800 0.348 0.000 1.160 150 D HN 0.362 nan 8.370 nan 0.000 0.534 151 L N 4.991 126.411 121.223 0.329 0.000 2.313 151 L HA 0.299 4.646 4.340 0.012 0.000 0.282 151 L C 0.253 177.223 176.870 0.167 0.000 1.092 151 L CA 0.131 55.120 54.840 0.248 0.000 0.831 151 L CB 0.607 42.776 42.059 0.182 0.000 1.159 151 L HN 0.643 nan 8.230 nan 0.000 0.442 152 L N 3.648 124.942 121.223 0.119 0.000 2.249 152 L HA 0.203 4.550 4.340 0.012 0.000 0.207 152 L C 0.171 177.032 176.870 -0.014 0.000 1.090 152 L CA 0.204 55.054 54.840 0.015 0.000 0.802 152 L CB -0.212 41.869 42.059 0.036 0.000 0.947 152 L HN 0.624 nan 8.230 nan 0.000 0.453 153 N N 0.046 118.760 118.700 0.023 0.000 2.354 153 N HA 0.338 5.085 4.740 0.012 0.000 0.287 153 N C -1.064 174.442 175.510 -0.007 0.000 1.016 153 N CA 0.096 53.147 53.050 0.002 0.000 0.871 153 N CB 2.396 40.888 38.487 0.009 0.000 1.299 153 N HN -0.157 nan 8.380 nan 0.000 0.482 154 S N 1.153 116.833 115.700 -0.033 0.000 2.588 154 S HA 0.543 5.020 4.470 0.012 0.000 0.275 154 S C -1.904 172.618 174.600 -0.131 0.000 1.130 154 S CA -1.520 56.634 58.200 -0.077 0.000 0.855 154 S CB 1.394 64.572 63.200 -0.038 0.000 1.116 154 S HN 0.223 nan 8.310 nan 0.000 0.472 155 P HA -0.068 nan 4.420 nan 0.000 0.219 155 P C 0.326 177.505 177.300 -0.202 0.000 1.146 155 P CA 1.318 64.235 63.100 -0.305 0.000 0.808 155 P CB -0.138 31.249 31.700 -0.522 0.000 0.779 156 Y N -0.168 120.140 120.300 0.013 0.000 2.461 156 Y HA 0.497 5.052 4.550 0.009 0.000 0.277 156 Y C 1.568 177.452 175.900 -0.028 0.000 1.182 156 Y CA -0.200 57.898 58.100 -0.003 0.000 1.276 156 Y CB -0.350 38.108 38.460 -0.003 0.000 1.087 156 Y HN -0.028 nan 8.280 nan 0.000 0.519 157 G N 0.100 108.937 108.800 0.062 0.000 2.307 157 G HA2 -0.026 3.941 3.960 0.012 0.000 0.348 157 G HA3 -0.026 3.941 3.960 0.012 0.000 0.348 157 G C -1.625 173.264 174.900 -0.019 0.000 1.603 157 G CA -1.329 43.781 45.100 0.018 0.000 0.961 157 G HN -0.017 nan 8.290 nan 0.000 0.686 158 N N 0.082 118.766 118.700 -0.027 0.000 2.419 158 N HA 0.647 5.394 4.740 0.012 0.000 0.277 158 N C 0.488 175.958 175.510 -0.066 0.000 1.006 158 N CA -0.174 52.851 53.050 -0.042 0.000 0.923 158 N CB 2.059 40.531 38.487 -0.024 0.000 1.140 158 N HN 1.153 nan 8.380 nan 0.000 0.488 159 V N -1.050 118.789 119.914 -0.124 0.000 3.103 159 V HA 0.610 4.737 4.120 0.012 0.000 0.318 159 V C 0.253 176.267 176.094 -0.133 0.000 1.114 159 V CA -0.912 61.277 62.300 -0.185 0.000 1.020 159 V CB 2.055 33.598 31.823 -0.468 0.000 1.085 159 V HN 0.332 nan 8.190 nan 0.000 0.446 160 E N 0.418 120.583 120.200 -0.060 0.000 2.312 160 E HA 0.376 4.733 4.350 0.012 0.000 0.259 160 E C -0.328 176.358 176.600 0.144 0.000 1.122 160 E CA -0.422 56.002 56.400 0.040 0.000 0.922 160 E CB 0.962 30.701 29.700 0.065 0.000 1.109 160 E HN 0.816 nan 8.360 nan 0.000 0.442 161 E N 0.471 120.788 120.200 0.195 0.000 2.398 161 E HA -0.020 4.337 4.350 0.012 0.000 0.263 161 E C -0.520 176.292 176.600 0.352 0.000 1.046 161 E CA -0.123 56.489 56.400 0.353 0.000 0.908 161 E CB 0.545 30.426 29.700 0.303 0.000 0.963 161 E HN 0.310 nan 8.360 nan 0.000 0.431 162 W N 2.810 124.213 121.300 0.172 0.000 2.190 162 W HA 0.078 4.745 4.660 0.013 0.000 0.330 162 W C -0.188 176.155 176.519 -0.294 0.000 1.299 162 W CA -0.243 57.022 57.345 -0.134 0.000 1.215 162 W CB 0.837 30.119 29.460 -0.298 0.000 1.147 162 W HN 0.223 nan 8.180 nan 0.000 0.563 163 S N 7.111 122.266 115.700 -0.909 0.000 2.438 163 S HA 0.193 4.670 4.470 0.012 0.000 0.316 163 S C 0.706 174.425 174.600 -1.468 0.000 1.084 163 S CA -0.764 56.892 58.200 -0.907 0.000 1.107 163 S CB 0.568 63.485 63.200 -0.472 0.000 0.981 163 S HN 0.707 nan 8.310 nan 0.000 0.466 164 I N 4.297 124.000 120.570 -1.444 0.000 2.493 164 I HA -0.098 4.080 4.170 0.012 0.000 0.254 164 I C 1.658 177.439 176.117 -0.560 0.000 1.160 164 I CA 1.456 62.050 61.300 -1.175 0.000 1.445 164 I CB 0.140 37.768 38.000 -0.620 0.000 1.086 164 I HN 0.680 nan 8.210 nan 0.000 0.433 165 E N 0.878 120.815 120.200 -0.438 0.000 2.072 165 E HA -0.179 4.179 4.350 0.012 0.000 0.191 165 E C 2.060 178.518 176.600 -0.236 0.000 0.985 165 E CA 1.482 57.724 56.400 -0.263 0.000 0.801 165 E CB -0.225 29.353 29.700 -0.204 0.000 0.750 165 E HN 0.520 nan 8.360 nan 0.000 0.452 166 I N 0.476 120.870 120.570 -0.293 0.000 2.439 166 I HA -0.172 4.005 4.170 0.012 0.000 0.251 166 I C 2.180 178.184 176.117 -0.188 0.000 1.139 166 I CA 0.735 61.906 61.300 -0.215 0.000 1.438 166 I CB -0.147 37.727 38.000 -0.211 0.000 1.085 166 I HN 0.096 nan 8.210 nan 0.000 0.427 167 A N 0.640 123.297 122.820 -0.271 0.000 1.972 167 A HA -0.129 4.198 4.320 0.012 0.000 0.219 167 A C 2.457 180.013 177.584 -0.047 0.000 1.169 167 A CA 1.753 53.725 52.037 -0.108 0.000 0.635 167 A CB -0.608 18.368 19.000 -0.040 0.000 0.810 167 A HN 0.422 nan 8.150 nan 0.000 0.446 168 A N -0.483 122.282 122.820 -0.092 0.000 2.016 168 A HA 0.106 4.433 4.320 0.012 0.000 0.217 168 A C 1.236 178.794 177.584 -0.043 0.000 1.162 168 A CA 0.644 52.646 52.037 -0.058 0.000 0.662 168 A CB -0.146 18.809 19.000 -0.074 0.000 0.812 168 A HN 0.498 nan 8.150 nan 0.000 0.450 169 K N -0.223 120.145 120.400 -0.053 0.000 2.276 169 K HA 0.335 4.663 4.320 0.012 0.000 0.259 169 K C -0.497 176.093 176.600 -0.017 0.000 1.001 169 K CA -0.531 55.733 56.287 -0.038 0.000 0.927 169 K CB 0.338 32.810 32.500 -0.048 0.000 0.969 169 K HN 0.157 nan 8.250 nan 0.000 0.490 170 L N 2.544 123.760 121.223 -0.012 0.000 2.482 170 L HA -0.085 4.262 4.340 0.012 0.000 0.273 170 L C 1.749 178.624 176.870 0.009 0.000 1.228 170 L CA 0.689 55.529 54.840 0.000 0.000 0.827 170 L CB 0.346 42.403 42.059 -0.004 0.000 1.099 170 L HN 0.604 nan 8.230 nan 0.000 0.494 171 Q N 0.780 120.594 119.800 0.023 0.000 2.234 171 Q HA -0.210 4.137 4.340 0.012 0.000 0.206 171 Q C 1.304 177.317 176.000 0.021 0.000 0.980 171 Q CA 1.515 57.339 55.803 0.035 0.000 0.869 171 Q CB 0.169 28.936 28.738 0.048 0.000 0.912 171 Q HN 0.629 nan 8.270 nan 0.000 0.436 172 E N 0.007 120.214 120.200 0.011 0.000 2.371 172 E HA -0.055 4.302 4.350 0.012 0.000 0.194 172 E C 1.439 178.038 176.600 -0.001 0.000 1.012 172 E CA 0.358 56.761 56.400 0.005 0.000 0.860 172 E CB 0.162 29.863 29.700 0.001 0.000 0.811 172 E HN 0.306 nan 8.360 nan 0.000 0.502 173 Q N -0.912 118.885 119.800 -0.005 0.000 2.425 173 Q HA 0.132 4.479 4.340 0.012 0.000 0.204 173 Q C 0.694 176.685 176.000 -0.015 0.000 0.933 173 Q CA 0.548 56.343 55.803 -0.013 0.000 0.939 173 Q CB 0.673 29.399 28.738 -0.020 0.000 1.044 173 Q HN 0.380 nan 8.270 nan 0.000 0.513 174 G N -0.319 108.477 108.800 -0.008 0.000 2.179 174 G HA2 -0.193 3.775 3.960 0.012 0.000 0.220 174 G HA3 -0.193 3.775 3.960 0.012 0.000 0.220 174 G C 0.350 175.241 174.900 -0.014 0.000 0.990 174 G CA -0.335 44.760 45.100 -0.009 0.000 0.646 174 G HN 0.514 nan 8.290 nan 0.000 0.517 175 G N -0.647 108.144 108.800 -0.015 0.000 2.509 175 G HA2 0.499 4.467 3.960 0.012 0.000 0.269 175 G HA3 0.499 4.467 3.960 0.012 0.000 0.269 175 G C 0.170 175.079 174.900 0.015 0.000 1.416 175 G CA 0.557 45.645 45.100 -0.021 0.000 1.052 175 G HN 0.072 nan 8.290 nan 0.000 0.542 176 D N -0.872 119.547 120.400 0.033 0.000 2.469 176 D HA 0.110 4.757 4.640 0.012 0.000 0.215 176 D C 0.293 176.675 176.300 0.136 0.000 1.154 176 D CA -0.078 53.986 54.000 0.106 0.000 0.832 176 D CB 0.627 41.495 40.800 0.113 0.000 1.008 176 D HN 0.601 nan 8.370 nan 0.000 0.506 177 E N 0.573 120.816 120.200 0.071 0.000 2.269 177 E HA -0.171 4.186 4.350 0.012 0.000 0.223 177 E C -0.525 176.105 176.600 0.051 0.000 1.244 177 E CA -0.103 56.327 56.400 0.050 0.000 0.713 177 E CB -0.794 28.936 29.700 0.049 0.000 1.178 177 E HN 0.038 nan 8.360 nan 0.000 0.370 178 V N 1.413 121.355 119.914 0.047 0.000 2.485 178 V HA 0.056 4.183 4.120 0.012 0.000 0.287 178 V C -1.684 174.390 176.094 -0.033 0.000 1.022 178 V CA -0.809 61.500 62.300 0.015 0.000 1.067 178 V CB 0.496 32.338 31.823 0.031 0.000 0.967 178 V HN 0.184 nan 8.190 nan 0.000 0.479 179 P HA -0.041 nan 4.420 nan 0.000 0.260 179 P C 1.009 178.251 177.300 -0.096 0.000 1.172 179 P CA 0.580 63.648 63.100 -0.054 0.000 0.760 179 P CB 0.544 32.218 31.700 -0.043 0.000 0.773 180 S N 3.798 119.468 115.700 -0.050 0.000 2.402 180 S HA -0.208 4.269 4.470 0.012 0.000 0.233 180 S C 1.546 176.115 174.600 -0.052 0.000 1.030 180 S CA 1.580 59.752 58.200 -0.045 0.000 1.003 180 S CB -0.569 62.617 63.200 -0.024 0.000 0.813 180 S HN 0.603 nan 8.310 nan 0.000 0.477 181 E N 1.287 121.455 120.200 -0.053 0.000 2.409 181 E HA -0.126 4.231 4.350 0.012 0.000 0.198 181 E C 1.820 178.375 176.600 -0.074 0.000 1.024 181 E CA 1.255 57.635 56.400 -0.034 0.000 0.861 181 E CB -0.511 29.199 29.700 0.017 0.000 0.788 181 E HN 0.923 nan 8.360 nan 0.000 0.521 182 I N -3.401 117.060 120.570 -0.183 0.000 4.323 182 I HA 0.093 4.270 4.170 0.012 0.000 0.328 182 I C 1.857 177.897 176.117 -0.128 0.000 1.310 182 I CA -0.431 60.744 61.300 -0.209 0.000 1.186 182 I CB 0.024 37.645 38.000 -0.632 0.000 1.130 182 I HN -0.243 nan 8.210 nan 0.000 0.411 183 I N 3.004 123.512 120.570 -0.103 0.000 2.091 183 I HA -0.323 3.855 4.170 0.012 0.000 0.240 183 I C 1.862 177.987 176.117 0.012 0.000 1.046 183 I CA 1.988 63.266 61.300 -0.037 0.000 1.306 183 I CB -1.205 36.776 38.000 -0.032 0.000 1.018 183 I HN 0.383 nan 8.210 nan 0.000 0.404 184 D N 0.617 121.027 120.400 0.017 0.000 2.350 184 D HA -0.130 4.517 4.640 0.012 0.000 0.216 184 D C 1.627 177.966 176.300 0.065 0.000 0.968 184 D CA 0.806 54.829 54.000 0.038 0.000 0.894 184 D CB -0.108 40.712 40.800 0.032 0.000 0.909 184 D HN 0.458 nan 8.370 nan 0.000 0.520 185 K N 0.117 120.575 120.400 0.097 0.000 2.410 185 K HA 0.231 4.558 4.320 0.012 0.000 0.200 185 K C 0.314 177.034 176.600 0.199 0.000 1.023 185 K CA -0.079 56.311 56.287 0.171 0.000 1.149 185 K CB 0.941 33.624 32.500 0.304 0.000 0.859 185 K HN 0.077 nan 8.250 nan 0.000 0.514 186 I N 1.880 122.525 120.570 0.125 0.000 2.315 186 I HA 0.236 4.413 4.170 0.012 0.000 0.291 186 I C -0.221 175.940 176.117 0.074 0.000 1.006 186 I CA -0.615 60.754 61.300 0.115 0.000 1.265 186 I CB 1.120 39.196 38.000 0.125 0.000 1.387 186 I HN -0.093 nan 8.210 nan 0.000 0.475 187 I N 7.182 127.737 120.570 -0.025 0.000 2.328 187 I HA 0.208 4.385 4.170 0.012 0.000 0.287 187 I C -0.853 175.289 176.117 0.041 0.000 1.012 187 I CA -0.672 60.614 61.300 -0.024 0.000 1.195 187 I CB 0.864 38.761 38.000 -0.172 0.000 1.350 187 I HN 0.458 nan 8.210 nan 0.000 0.464 188 Y N 8.041 128.332 120.300 -0.014 0.000 2.330 188 Y HA 0.676 5.233 4.550 0.012 0.000 0.336 188 Y C -0.814 175.039 175.900 -0.078 0.000 1.036 188 Y CA -1.058 57.029 58.100 -0.021 0.000 1.125 188 Y CB 1.353 39.925 38.460 0.186 0.000 1.194 188 Y HN 0.472 nan 8.280 nan 0.000 0.469 189 M N 9.970 129.120 119.600 -0.750 0.000 2.035 189 M HA 0.343 4.831 4.480 0.012 0.000 0.286 189 M C -2.748 172.964 176.300 -0.979 0.000 0.907 189 M CA -1.765 53.057 55.300 -0.796 0.000 0.935 189 M CB 1.997 34.234 32.600 -0.606 0.000 1.557 189 M HN 0.414 nan 8.290 nan 0.000 0.426 190 P HA 0.496 nan 4.420 nan 0.000 0.286 190 P C -1.301 175.581 177.300 -0.696 0.000 1.261 190 P CA -0.216 62.526 63.100 -0.597 0.000 0.821 190 P CB 0.870 32.388 31.700 -0.303 0.000 1.013 191 F N 0.688 120.633 119.950 -0.009 0.000 2.551 191 F HA 0.223 4.758 4.527 0.013 0.000 0.316 191 F C 1.367 177.188 175.800 0.035 0.000 1.089 191 F CA -0.399 57.618 58.000 0.028 0.000 0.915 191 F CB 1.663 40.704 39.000 0.068 0.000 1.186 191 F HN 0.233 nan 8.300 nan 0.000 0.456 192 D N -0.087 120.436 120.400 0.205 0.000 2.249 192 D HA -0.014 4.633 4.640 0.012 0.000 0.205 192 D C -0.268 176.102 176.300 0.117 0.000 0.962 192 D CA 0.846 54.919 54.000 0.121 0.000 0.860 192 D CB -0.390 40.461 40.800 0.085 0.000 0.955 192 D HN 0.581 nan 8.370 nan 0.000 0.505 193 N N -1.465 117.327 118.700 0.153 0.000 2.396 193 N HA 0.094 4.841 4.740 0.012 0.000 0.275 193 N C 0.119 175.684 175.510 0.092 0.000 1.218 193 N CA -0.851 52.258 53.050 0.097 0.000 0.812 193 N CB 1.812 40.336 38.487 0.062 0.000 1.592 193 N HN -0.171 nan 8.380 nan 0.000 0.480 194 E N 0.623 120.851 120.200 0.046 0.000 2.160 194 E HA -0.228 4.130 4.350 0.012 0.000 0.195 194 E C 0.719 177.335 176.600 0.027 0.000 0.991 194 E CA 1.332 57.745 56.400 0.021 0.000 0.810 194 E CB 0.092 29.796 29.700 0.007 0.000 0.742 194 E HN 0.606 nan 8.360 nan 0.000 0.466 195 K N 0.271 120.702 120.400 0.051 0.000 2.026 195 K HA -0.194 4.133 4.320 0.012 0.000 0.208 195 K C 2.183 178.892 176.600 0.182 0.000 1.048 195 K CA 1.582 57.974 56.287 0.176 0.000 0.929 195 K CB -0.087 32.483 32.500 0.117 0.000 0.713 195 K HN -0.002 nan 8.250 nan 0.000 0.439 196 E N 1.138 121.398 120.200 0.099 0.000 2.110 196 E HA -0.138 4.219 4.350 0.012 0.000 0.193 196 E C 1.798 178.283 176.600 -0.192 0.000 0.988 196 E CA 0.658 57.109 56.400 0.084 0.000 0.804 196 E CB -0.074 29.765 29.700 0.231 0.000 0.745 196 E HN 0.207 nan 8.360 nan 0.000 0.458 197 L N -0.081 120.872 121.223 -0.450 0.000 1.970 197 L HA -0.201 4.146 4.340 0.012 0.000 0.212 197 L C 2.105 178.699 176.870 -0.460 0.000 1.071 197 L CA 1.417 55.647 54.840 -1.018 0.000 0.751 197 L CB -0.215 41.502 42.059 -0.570 0.000 0.889 197 L HN 0.210 nan 8.230 nan 0.000 0.432 198 L N -0.912 120.205 121.223 -0.177 0.000 2.083 198 L HA -0.259 4.089 4.340 0.012 0.000 0.209 198 L C 2.697 179.499 176.870 -0.113 0.000 1.083 198 L CA 1.402 56.200 54.840 -0.071 0.000 0.752 198 L CB -0.458 41.670 42.059 0.115 0.000 0.899 198 L HN 0.405 nan 8.230 nan 0.000 0.433 199 M N -0.901 118.619 119.600 -0.135 0.000 2.086 199 M HA -0.189 4.298 4.480 0.012 0.000 0.261 199 M C 2.295 178.556 176.300 -0.065 0.000 1.067 199 M CA 1.573 56.763 55.300 -0.183 0.000 1.116 199 M CB -0.372 32.153 32.600 -0.125 0.000 1.348 199 M HN 0.190 nan 8.290 nan 0.000 0.407 200 E N -0.303 119.902 120.200 0.008 0.000 2.077 200 E HA -0.205 4.152 4.350 0.012 0.000 0.193 200 E C 1.802 178.541 176.600 0.231 0.000 0.989 200 E CA 1.346 57.850 56.400 0.175 0.000 0.800 200 E CB -0.528 29.384 29.700 0.354 0.000 0.746 200 E HN 0.495 nan 8.360 nan 0.000 0.452 201 Y N 1.542 121.795 120.300 -0.079 0.000 2.114 201 Y HA -0.230 4.327 4.550 0.012 0.000 0.282 201 Y C 2.286 178.186 175.900 -0.000 0.000 1.165 201 Y CA 1.486 59.427 58.100 -0.264 0.000 1.148 201 Y CB -0.465 37.636 38.460 -0.599 0.000 0.972 201 Y HN -0.035 nan 8.280 nan 0.000 0.504 202 L N -0.271 120.899 121.223 -0.088 0.000 2.046 202 L HA -0.264 4.083 4.340 0.012 0.000 0.208 202 L C 2.081 178.913 176.870 -0.063 0.000 1.077 202 L CA 1.831 56.582 54.840 -0.149 0.000 0.747 202 L CB -0.644 41.296 42.059 -0.198 0.000 0.896 202 L HN 0.323 nan 8.230 nan 0.000 0.432 203 N N -0.517 118.173 118.700 -0.016 0.000 2.166 203 N HA -0.225 4.522 4.740 0.012 0.000 0.186 203 N C 1.805 177.329 175.510 0.023 0.000 1.019 203 N CA 1.098 54.154 53.050 0.010 0.000 0.856 203 N CB -0.114 38.401 38.487 0.048 0.000 0.993 203 N HN 0.210 nan 8.380 nan 0.000 0.426 204 F N 1.170 121.065 119.950 -0.092 0.000 2.113 204 F HA -0.137 4.396 4.527 0.011 0.000 0.297 204 F C 2.231 177.874 175.800 -0.260 0.000 1.103 204 F CA 1.087 58.997 58.000 -0.151 0.000 1.248 204 F CB -0.402 38.571 39.000 -0.045 0.000 0.999 204 F HN 0.159 nan 8.300 nan 0.000 0.475 205 W N 1.978 122.916 121.300 -0.604 0.000 2.321 205 W HA -0.291 4.378 4.660 0.015 0.000 0.306 205 W C 2.364 178.598 176.519 -0.474 0.000 1.217 205 W CA 2.364 59.307 57.345 -0.670 0.000 1.257 205 W CB -0.817 28.295 29.460 -0.580 0.000 1.145 205 W HN 0.294 nan 8.180 nan 0.000 0.509 206 Q N -0.221 119.527 119.800 -0.087 0.000 2.061 206 Q HA -0.262 4.085 4.340 0.012 0.000 0.204 206 Q C 2.184 178.063 176.000 -0.202 0.000 0.984 206 Q CA 1.642 57.385 55.803 -0.101 0.000 0.846 206 Q CB -0.284 28.417 28.738 -0.061 0.000 0.902 206 Q HN 0.203 nan 8.270 nan 0.000 0.421 207 Q N 0.214 119.859 119.800 -0.259 0.000 2.230 207 Q HA -0.035 4.313 4.340 0.012 0.000 0.202 207 Q C 0.151 175.940 176.000 -0.351 0.000 0.963 207 Q CA 1.157 56.804 55.803 -0.260 0.000 0.866 207 Q CB 0.344 28.948 28.738 -0.223 0.000 0.931 207 Q HN 0.285 nan 8.270 nan 0.000 0.452 208 K N 0.656 120.729 120.400 -0.545 0.000 3.146 208 K HA 0.254 4.581 4.320 0.012 0.000 0.168 208 K C -0.913 175.294 176.600 -0.655 0.000 1.075 208 K CA -0.101 55.838 56.287 -0.579 0.000 0.843 208 K CB 1.130 33.170 32.500 -0.766 0.000 1.002 208 K HN -0.172 nan 8.250 nan 0.000 0.597 209 T N 3.231 117.466 114.554 -0.531 0.000 2.799 209 T HA 0.123 4.480 4.350 0.012 0.000 0.296 209 T C -2.293 172.096 174.700 -0.519 0.000 0.947 209 T CA -1.149 60.572 62.100 -0.631 0.000 1.141 209 T CB 0.276 68.924 68.868 -0.365 0.000 0.891 209 T HN 0.081 nan 8.240 nan 0.000 0.533 210 P HA 0.095 nan 4.420 nan 0.000 0.267 210 P C 0.564 177.749 177.300 -0.193 0.000 1.200 210 P CA -0.190 62.680 63.100 -0.384 0.000 0.772 210 P CB 0.624 32.055 31.700 -0.448 0.000 0.855 211 V N 3.011 122.876 119.914 -0.083 0.000 2.403 211 V HA 0.029 4.156 4.120 0.012 0.000 0.239 211 V C 1.043 177.157 176.094 0.034 0.000 1.041 211 V CA 1.240 63.541 62.300 0.002 0.000 1.051 211 V CB -0.196 31.657 31.823 0.050 0.000 0.704 211 V HN 0.414 nan 8.190 nan 0.000 0.472 212 I N 2.083 122.680 120.570 0.046 0.000 2.321 212 I HA 0.396 4.573 4.170 0.012 0.000 0.291 212 I C -0.743 175.427 176.117 0.089 0.000 0.998 212 I CA -0.316 61.032 61.300 0.080 0.000 1.227 212 I CB 1.216 39.276 38.000 0.101 0.000 1.368 212 I HN 0.105 nan 8.210 nan 0.000 0.466 213 L N 7.029 128.329 121.223 0.128 0.000 2.319 213 L HA 0.647 4.994 4.340 0.012 0.000 0.281 213 L C -0.164 176.865 176.870 0.266 0.000 1.005 213 L CA 0.425 55.372 54.840 0.179 0.000 0.828 213 L CB 1.656 43.834 42.059 0.198 0.000 1.227 213 L HN 0.730 nan 8.230 nan 0.000 0.415 214 T N 2.559 117.305 114.554 0.320 0.000 2.696 214 T HA 0.976 5.333 4.350 0.012 0.000 0.291 214 T C -0.511 174.423 174.700 0.391 0.000 1.095 214 T CA -0.059 62.255 62.100 0.357 0.000 1.026 214 T CB 1.444 70.548 68.868 0.393 0.000 1.390 214 T HN 1.165 nan 8.240 nan 0.000 0.513 215 G N -0.237 108.787 108.800 0.374 0.000 2.362 215 G HA2 0.219 4.186 3.960 0.012 0.000 0.288 215 G HA3 0.219 4.186 3.960 0.012 0.000 0.288 215 G C -2.167 172.956 174.900 0.372 0.000 1.305 215 G CA -0.527 44.766 45.100 0.322 0.000 0.910 215 G HN 0.717 nan 8.290 nan 0.000 0.518 216 W N 1.735 123.103 121.300 0.113 0.000 2.361 216 W HA 0.464 5.131 4.660 0.012 0.000 0.314 216 W C 0.423 176.997 176.519 0.092 0.000 1.041 216 W CA -0.186 57.228 57.345 0.116 0.000 1.241 216 W CB 0.937 30.440 29.460 0.073 0.000 1.279 216 W HN 0.731 nan 8.180 nan 0.000 0.436 217 N N 2.641 121.241 118.700 -0.167 0.000 2.708 217 N HA -0.243 4.505 4.740 0.012 0.000 0.251 217 N C 1.104 176.672 175.510 0.098 0.000 1.123 217 N CA 1.586 54.617 53.050 -0.033 0.000 0.739 217 N CB -1.554 36.975 38.487 0.071 0.000 1.113 217 N HN 0.448 nan 8.380 nan 0.000 0.561 218 V N -2.089 117.879 119.914 0.090 0.000 2.490 218 V HA -0.164 3.963 4.120 0.012 0.000 0.250 218 V C 2.035 178.221 176.094 0.153 0.000 1.061 218 V CA 2.405 64.773 62.300 0.114 0.000 1.064 218 V CB -0.319 31.597 31.823 0.155 0.000 0.670 218 V HN 0.385 nan 8.190 nan 0.000 0.461 219 E N 1.491 121.751 120.200 0.100 0.000 2.106 219 E HA -0.168 4.189 4.350 0.012 0.000 0.192 219 E C 2.203 178.840 176.600 0.062 0.000 0.984 219 E CA 1.536 57.975 56.400 0.065 0.000 0.806 219 E CB -0.080 29.614 29.700 -0.010 0.000 0.750 219 E HN 0.887 nan 8.360 nan 0.000 0.458 220 S N -1.377 114.371 115.700 0.079 0.000 2.486 220 S HA 0.047 4.524 4.470 0.012 0.000 0.220 220 S C 1.375 176.129 174.600 0.256 0.000 1.011 220 S CA -0.180 58.090 58.200 0.116 0.000 0.921 220 S CB 0.110 63.351 63.200 0.068 0.000 0.785 220 S HN 0.368 nan 8.310 nan 0.000 0.517 221 F N 1.205 121.221 119.950 0.111 0.000 2.362 221 F HA 0.593 5.125 4.527 0.009 0.000 0.264 221 F C 2.330 178.223 175.800 0.156 0.000 0.905 221 F CA 0.399 58.494 58.000 0.159 0.000 1.142 221 F CB -0.440 38.655 39.000 0.157 0.000 1.250 221 F HN 0.147 nan 8.300 nan 0.000 0.771 222 A N 1.151 124.021 122.820 0.084 0.000 1.902 222 A HA -0.100 4.227 4.320 0.012 0.000 0.217 222 A C 2.078 179.734 177.584 0.119 0.000 1.181 222 A CA 2.073 54.068 52.037 -0.070 0.000 0.623 222 A CB -1.224 17.600 19.000 -0.293 0.000 0.818 222 A HN 0.516 nan 8.150 nan 0.000 0.443 223 I N -0.157 120.548 120.570 0.225 0.000 2.193 223 I HA -0.121 4.056 4.170 0.012 0.000 0.240 223 I C -0.596 175.605 176.117 0.140 0.000 1.084 223 I CA 1.141 62.601 61.300 0.268 0.000 1.365 223 I CB -1.091 37.062 38.000 0.256 0.000 1.064 223 I HN 0.196 nan 8.210 nan 0.000 0.410 224 P HA -0.201 nan 4.420 nan 0.000 0.216 224 P C 1.509 178.824 177.300 0.025 0.000 1.150 224 P CA 1.530 64.662 63.100 0.053 0.000 0.837 224 P CB -0.108 31.619 31.700 0.045 0.000 0.786 225 Y N 0.210 120.400 120.300 -0.183 0.000 2.133 225 Y HA -0.182 4.376 4.550 0.014 0.000 0.287 225 Y C 2.297 178.128 175.900 -0.116 0.000 1.134 225 Y CA 1.308 59.253 58.100 -0.258 0.000 1.133 225 Y CB -0.943 37.119 38.460 -0.663 0.000 0.987 225 Y HN -0.318 nan 8.280 nan 0.000 0.502 226 V N -0.439 119.555 119.914 0.134 0.000 2.392 226 V HA -0.344 3.783 4.120 0.012 0.000 0.249 226 V C 1.984 178.097 176.094 0.032 0.000 1.059 226 V CA 2.304 64.666 62.300 0.102 0.000 1.051 226 V CB -1.008 30.902 31.823 0.145 0.000 0.658 226 V HN 0.590 nan 8.190 nan 0.000 0.455 227 Y N 1.313 121.571 120.300 -0.070 0.000 2.184 227 Y HA -0.160 4.395 4.550 0.008 0.000 0.290 227 Y C 2.564 178.405 175.900 -0.099 0.000 1.129 227 Y CA 1.929 59.976 58.100 -0.088 0.000 1.144 227 Y CB -0.204 38.215 38.460 -0.068 0.000 0.995 227 Y HN 0.255 nan 8.280 nan 0.000 0.513 228 N N 0.333 119.017 118.700 -0.027 0.000 2.142 228 N HA -0.161 4.587 4.740 0.012 0.000 0.186 228 N C 1.935 177.296 175.510 -0.248 0.000 1.023 228 N CA 1.221 54.179 53.050 -0.153 0.000 0.852 228 N CB -0.393 38.007 38.487 -0.144 0.000 0.998 228 N HN 0.249 nan 8.380 nan 0.000 0.424 229 R N 1.594 121.922 120.500 -0.287 0.000 2.080 229 R HA 0.049 4.396 4.340 0.012 0.000 0.236 229 R C 2.226 178.446 176.300 -0.133 0.000 1.137 229 R CA 1.103 57.071 56.100 -0.221 0.000 0.943 229 R CB -0.816 29.412 30.300 -0.119 0.000 0.846 229 R HN 0.199 nan 8.270 nan 0.000 0.431 230 I N 0.630 121.144 120.570 -0.093 0.000 2.194 230 I HA -0.341 3.836 4.170 0.012 0.000 0.246 230 I C 2.516 178.592 176.117 -0.068 0.000 1.093 230 I CA 1.678 62.980 61.300 0.003 0.000 1.355 230 I CB -0.421 37.548 38.000 -0.051 0.000 1.046 230 I HN 0.288 nan 8.210 nan 0.000 0.413 231 K N 0.932 121.182 120.400 -0.249 0.000 2.063 231 K HA -0.220 4.107 4.320 0.012 0.000 0.208 231 K C 1.910 178.415 176.600 -0.158 0.000 1.048 231 K CA 1.754 57.889 56.287 -0.254 0.000 0.928 231 K CB -0.047 32.247 32.500 -0.344 0.000 0.713 231 K HN 0.286 nan 8.250 nan 0.000 0.442 232 N N 0.637 119.238 118.700 -0.164 0.000 2.188 232 N HA -0.113 4.635 4.740 0.012 0.000 0.184 232 N C 1.805 177.206 175.510 -0.182 0.000 1.018 232 N CA 1.129 54.087 53.050 -0.155 0.000 0.858 232 N CB -0.046 38.345 38.487 -0.161 0.000 0.989 232 N HN 0.276 nan 8.380 nan 0.000 0.426 233 I N -1.326 119.100 120.570 -0.240 0.000 2.429 233 I HA -0.052 4.125 4.170 0.012 0.000 0.247 233 I C 1.018 176.810 176.117 -0.541 0.000 1.099 233 I CA 0.826 61.856 61.300 -0.449 0.000 1.422 233 I CB 0.064 37.669 38.000 -0.659 0.000 1.112 233 I HN -0.053 nan 8.210 nan 0.000 0.430 234 F N 0.144 120.029 119.950 -0.108 0.000 2.680 234 F HA 0.439 4.973 4.527 0.013 0.000 0.290 234 F C 1.079 176.819 175.800 -0.100 0.000 1.114 234 F CA 0.396 58.338 58.000 -0.097 0.000 1.333 234 F CB 0.566 39.505 39.000 -0.102 0.000 1.091 234 F HN 0.058 nan 8.300 nan 0.000 0.606 235 G N 0.568 109.391 108.800 0.038 0.000 2.459 235 G HA2 -0.157 3.811 3.960 0.012 0.000 0.685 235 G HA3 -0.157 3.811 3.960 0.012 0.000 0.685 235 G C 0.034 174.893 174.900 -0.068 0.000 1.303 235 G CA -0.354 44.733 45.100 -0.021 0.000 0.907 235 G HN 0.120 nan 8.290 nan 0.000 0.632 236 E N -0.317 119.835 120.200 -0.079 0.000 2.110 236 E HA -0.154 4.203 4.350 0.012 0.000 0.193 236 E C 2.808 179.357 176.600 -0.087 0.000 0.988 236 E CA 1.985 58.319 56.400 -0.110 0.000 0.804 236 E CB -0.089 29.589 29.700 -0.038 0.000 0.745 236 E HN 0.759 nan 8.360 nan 0.000 0.458 237 S N -0.316 115.356 115.700 -0.047 0.000 2.383 237 S HA -0.179 4.298 4.470 0.012 0.000 0.229 237 S C 2.040 176.601 174.600 -0.064 0.000 1.030 237 S CA 1.779 59.956 58.200 -0.038 0.000 1.002 237 S CB -0.718 62.466 63.200 -0.026 0.000 0.829 237 S HN 0.182 nan 8.310 nan 0.000 0.467 238 T N 2.732 117.237 114.554 -0.081 0.000 2.737 238 T HA 0.147 4.504 4.350 0.012 0.000 0.265 238 T C 2.284 176.881 174.700 -0.171 0.000 1.038 238 T CA 1.280 63.302 62.100 -0.130 0.000 1.144 238 T CB -0.967 67.822 68.868 -0.132 0.000 0.866 238 T HN 0.639 nan 8.240 nan 0.000 0.434 239 A N 1.932 124.620 122.820 -0.219 0.000 1.948 239 A HA -0.173 4.155 4.320 0.012 0.000 0.220 239 A C 2.172 179.664 177.584 -0.152 0.000 1.177 239 A CA 1.598 53.416 52.037 -0.365 0.000 0.636 239 A CB -0.549 17.914 19.000 -0.895 0.000 0.815 239 A HN 0.463 nan 8.150 nan 0.000 0.449 240 K N -0.751 119.628 120.400 -0.035 0.000 2.515 240 K HA -0.024 4.303 4.320 0.012 0.000 0.196 240 K C 1.774 178.388 176.600 0.023 0.000 1.038 240 K CA 0.574 56.923 56.287 0.104 0.000 0.967 240 K CB -0.085 32.462 32.500 0.078 0.000 0.780 240 K HN 0.423 nan 8.250 nan 0.000 0.483 241 R N 0.375 120.840 120.500 -0.058 0.000 2.280 241 R HA 0.040 4.387 4.340 0.012 0.000 0.207 241 R C 1.671 177.907 176.300 -0.108 0.000 1.043 241 R CA 0.362 56.416 56.100 -0.076 0.000 1.006 241 R CB -0.048 30.182 30.300 -0.116 0.000 0.885 241 R HN 0.161 nan 8.270 nan 0.000 0.467 242 L N 0.284 121.389 121.223 -0.197 0.000 2.456 242 L HA -0.047 4.301 4.340 0.012 0.000 0.224 242 L C 0.989 177.929 176.870 0.115 0.000 1.148 242 L CA 0.506 55.124 54.840 -0.371 0.000 0.825 242 L CB -0.104 41.713 42.059 -0.403 0.000 0.937 242 L HN 0.014 nan 8.230 nan 0.000 0.450 243 S N -0.178 115.583 115.700 0.103 0.000 2.449 243 S HA 0.333 4.810 4.470 0.012 0.000 0.310 243 S C -1.590 173.020 174.600 0.017 0.000 1.096 243 S CA -1.640 56.631 58.200 0.119 0.000 1.095 243 S CB 1.440 64.722 63.200 0.138 0.000 1.007 243 S HN -0.110 nan 8.310 nan 0.000 0.474 244 P HA -0.062 nan 4.420 nan 0.000 0.228 244 P C 0.304 177.385 177.300 -0.364 0.000 1.151 244 P CA 1.025 63.973 63.100 -0.253 0.000 0.770 244 P CB -0.119 31.356 31.700 -0.376 0.000 0.786 245 H N -0.755 118.300 119.070 -0.025 0.000 2.652 245 H HA 0.271 4.834 4.556 0.011 0.000 0.274 245 H C 0.518 175.739 175.328 -0.179 0.000 1.021 245 H CA -0.191 55.746 56.048 -0.185 0.000 1.187 245 H CB 0.363 29.858 29.762 -0.446 0.000 1.505 245 H HN -0.029 nan 8.280 nan 0.000 0.530 246 R N 0.590 121.082 120.500 -0.013 0.000 3.651 246 R HA -0.161 4.186 4.340 0.012 0.000 0.292 246 R C 0.015 176.298 176.300 -0.028 0.000 1.161 246 R CA 0.415 56.508 56.100 -0.012 0.000 0.787 246 R CB -2.190 28.096 30.300 -0.024 0.000 1.249 246 R HN 0.391 nan 8.270 nan 0.000 0.476 247 K N 1.185 121.575 120.400 -0.017 0.000 2.426 247 K HA 0.391 4.718 4.320 0.012 0.000 0.254 247 K C -0.226 176.464 176.600 0.150 0.000 0.936 247 K CA -0.053 56.186 56.287 -0.081 0.000 0.801 247 K CB 1.654 33.900 32.500 -0.423 0.000 1.139 247 K HN 0.187 nan 8.250 nan 0.000 0.424 248 T N 0.614 115.252 114.554 0.140 0.000 2.901 248 T HA 0.660 5.017 4.350 0.012 0.000 0.293 248 T C -1.065 173.734 174.700 0.165 0.000 1.084 248 T CA -1.007 61.204 62.100 0.186 0.000 1.008 248 T CB 1.968 70.819 68.868 -0.028 0.000 1.170 248 T HN 0.603 nan 8.240 nan 0.000 0.509 249 R N 0.929 121.498 120.500 0.115 0.000 2.522 249 R HA 0.570 4.917 4.340 0.012 0.000 0.283 249 R C -1.804 174.477 176.300 -0.033 0.000 1.074 249 R CA -0.614 55.544 56.100 0.097 0.000 0.925 249 R CB 1.564 32.018 30.300 0.257 0.000 1.205 249 R HN 0.646 nan 8.270 nan 0.000 0.436 250 V N 5.385 125.277 119.914 -0.037 0.000 2.446 250 V HA 0.197 4.324 4.120 0.012 0.000 0.276 250 V C 0.300 176.373 176.094 -0.036 0.000 1.030 250 V CA 0.223 62.491 62.300 -0.053 0.000 1.033 250 V CB 0.692 32.502 31.823 -0.023 0.000 0.993 250 V HN 0.617 nan 8.190 nan 0.000 0.477 251 K N 4.555 124.922 120.400 -0.055 0.000 2.244 251 K HA 0.593 4.920 4.320 0.012 0.000 0.260 251 K C -1.144 175.425 176.600 -0.051 0.000 0.951 251 K CA -0.632 55.624 56.287 -0.053 0.000 0.826 251 K CB 1.882 34.337 32.500 -0.075 0.000 1.108 251 K HN 0.456 nan 8.250 nan 0.000 0.433 252 V N 5.727 125.613 119.914 -0.046 0.000 2.383 252 V HA 0.271 4.398 4.120 0.012 0.000 0.275 252 V C 0.108 176.166 176.094 -0.060 0.000 1.036 252 V CA -0.834 61.440 62.300 -0.044 0.000 0.889 252 V CB 1.038 32.841 31.823 -0.033 0.000 0.985 252 V HN 0.631 nan 8.190 nan 0.000 0.459 253 I N 4.547 125.080 120.570 -0.062 0.000 2.304 253 I HA 0.397 4.575 4.170 0.012 0.000 0.291 253 I C 0.510 176.588 176.117 -0.066 0.000 1.018 253 I CA -0.255 60.998 61.300 -0.078 0.000 1.260 253 I CB 0.980 38.926 38.000 -0.090 0.000 1.390 253 I HN 0.692 nan 8.210 nan 0.000 0.475 254 E N 5.548 125.703 120.200 -0.075 0.000 2.266 254 E HA 0.321 4.678 4.350 0.012 0.000 0.277 254 E C -0.395 176.160 176.600 -0.076 0.000 1.018 254 E CA -0.395 55.965 56.400 -0.065 0.000 0.840 254 E CB 1.515 31.175 29.700 -0.067 0.000 1.082 254 E HN 0.685 nan 8.360 nan 0.000 0.395 255 N N 1.525 120.185 118.700 -0.068 0.000 3.455 255 N HA 0.181 4.928 4.740 0.012 0.000 0.358 255 N C 0.342 175.756 175.510 -0.160 0.000 1.580 255 N CA -0.741 52.250 53.050 -0.099 0.000 0.692 255 N CB 0.254 38.702 38.487 -0.066 0.000 1.978 255 N HN 0.383 nan 8.380 nan 0.000 0.651 256 M N -1.464 117.939 119.600 -0.328 0.000 2.229 256 M HA 0.071 4.558 4.480 0.012 0.000 0.264 256 M C 0.422 176.431 176.300 -0.486 0.000 1.063 256 M CA 1.649 56.628 55.300 -0.535 0.000 1.114 256 M CB -0.106 31.942 32.600 -0.920 0.000 1.387 256 M HN 0.609 nan 8.290 nan 0.000 0.420 257 Y N -1.570 118.721 120.300 -0.015 0.000 2.522 257 Y HA 0.456 5.012 4.550 0.010 0.000 0.277 257 Y C 1.344 177.234 175.900 -0.017 0.000 1.104 257 Y CA -0.028 58.064 58.100 -0.014 0.000 1.260 257 Y CB 0.209 38.662 38.460 -0.011 0.000 1.151 257 Y HN 0.249 nan 8.280 nan 0.000 0.539 258 G N -0.453 108.412 108.800 0.109 0.000 2.529 258 G HA2 0.448 4.416 3.960 0.012 0.000 0.238 258 G HA3 0.448 4.416 3.960 0.012 0.000 0.238 258 G C -1.464 173.451 174.900 0.024 0.000 1.207 258 G CA -0.291 44.844 45.100 0.058 0.000 0.928 258 G HN 0.149 nan 8.290 nan 0.000 0.495 259 S N -0.642 115.068 115.700 0.017 0.000 2.592 259 S HA 0.684 5.161 4.470 0.012 0.000 0.275 259 S C -0.669 173.933 174.600 0.003 0.000 1.169 259 S CA -0.740 57.460 58.200 0.000 0.000 0.958 259 S CB 1.896 65.092 63.200 -0.007 0.000 1.095 259 S HN 1.174 nan 8.310 nan 0.000 0.471 260 R N 1.574 122.070 120.500 -0.006 0.000 2.758 260 R HA 0.766 5.113 4.340 0.012 0.000 0.265 260 R C -1.058 175.237 176.300 -0.008 0.000 1.016 260 R CA -0.907 55.194 56.100 0.001 0.000 1.040 260 R CB 1.194 31.494 30.300 -0.001 0.000 1.152 260 R HN 0.662 nan 8.270 nan 0.000 0.503 261 E N 1.519 121.720 120.200 0.003 0.000 2.187 261 E HA 0.373 4.730 4.350 0.012 0.000 0.268 261 E C -0.536 176.057 176.600 -0.012 0.000 0.896 261 E CA -0.765 55.630 56.400 -0.009 0.000 0.766 261 E CB 2.147 31.846 29.700 -0.000 0.000 1.142 261 E HN 0.560 nan 8.360 nan 0.000 0.408 262 I N -0.956 119.592 120.570 -0.037 0.000 3.023 262 I HA 0.567 4.744 4.170 0.012 0.000 0.312 262 I C -0.822 175.243 176.117 -0.087 0.000 1.056 262 I CA -1.153 60.119 61.300 -0.047 0.000 1.033 262 I CB 1.458 39.425 38.000 -0.055 0.000 1.233 262 I HN 0.303 nan 8.210 nan 0.000 0.462 263 I N 2.348 122.849 120.570 -0.114 0.000 2.354 263 I HA 0.247 4.424 4.170 0.012 0.000 0.286 263 I C -0.079 175.931 176.117 -0.177 0.000 1.007 263 I CA -0.183 60.989 61.300 -0.213 0.000 1.167 263 I CB 0.891 38.653 38.000 -0.398 0.000 1.320 263 I HN 0.643 nan 8.210 nan 0.000 0.458 264 T N 7.829 122.279 114.554 -0.174 0.000 2.752 264 T HA 0.382 4.739 4.350 0.012 0.000 0.295 264 T C 0.462 175.057 174.700 -0.175 0.000 0.923 264 T CA -0.187 61.785 62.100 -0.214 0.000 1.112 264 T CB 0.121 68.799 68.868 -0.317 0.000 0.884 264 T HN 0.256 nan 8.240 nan 0.000 0.525 265 L N 4.934 126.086 121.223 -0.117 0.000 2.259 265 L HA 0.422 4.769 4.340 0.012 0.000 0.288 265 L C 0.015 176.894 176.870 0.014 0.000 1.051 265 L CA -0.802 54.046 54.840 0.014 0.000 0.824 265 L CB -0.025 42.083 42.059 0.082 0.000 1.206 265 L HN 0.522 nan 8.230 nan 0.000 0.429 266 F N 1.813 121.791 119.950 0.047 0.000 2.563 266 F HA 0.254 4.787 4.527 0.010 0.000 0.363 266 F C 1.593 177.507 175.800 0.189 0.000 1.123 266 F CA 1.150 59.211 58.000 0.102 0.000 1.307 266 F CB 0.583 39.625 39.000 0.069 0.000 1.115 266 F HN 0.729 nan 8.300 nan 0.000 0.592 267 G N 2.778 111.817 108.800 0.399 0.000 2.153 267 G HA2 -0.285 3.682 3.960 0.012 0.000 0.252 267 G HA3 -0.285 3.682 3.960 0.012 0.000 0.252 267 G C -0.278 174.715 174.900 0.156 0.000 0.994 267 G CA 0.066 45.377 45.100 0.352 0.000 0.698 267 G HN 0.555 nan 8.290 nan 0.000 0.521 268 I N 0.061 120.704 120.570 0.121 0.000 2.686 268 I HA 0.456 4.633 4.170 0.012 0.000 0.295 268 I C -0.277 175.884 176.117 0.073 0.000 1.114 268 I CA -0.876 60.480 61.300 0.093 0.000 1.038 268 I CB 2.426 40.501 38.000 0.125 0.000 1.238 268 I HN 0.002 nan 8.210 nan 0.000 0.420 269 S N 4.011 119.757 115.700 0.077 0.000 2.448 269 S HA 0.416 4.893 4.470 0.012 0.000 0.320 269 S C -0.358 174.300 174.600 0.098 0.000 1.071 269 S CA -0.526 57.717 58.200 0.071 0.000 1.113 269 S CB 1.200 64.437 63.200 0.061 0.000 0.972 269 S HN 0.264 nan 8.310 nan 0.000 0.465 270 V N 5.851 125.828 119.914 0.104 0.000 2.364 270 V HA 0.350 4.477 4.120 0.012 0.000 0.272 270 V C -0.272 175.928 176.094 0.177 0.000 1.036 270 V CA -0.373 62.013 62.300 0.143 0.000 0.880 270 V CB 0.696 32.595 31.823 0.126 0.000 0.991 270 V HN 0.725 nan 8.190 nan 0.000 0.460 271 L N 4.334 125.682 121.223 0.207 0.000 2.387 271 L HA 0.427 4.774 4.340 0.012 0.000 0.259 271 L C -0.061 176.955 176.870 0.243 0.000 1.050 271 L CA -0.492 54.506 54.840 0.263 0.000 0.922 271 L CB 1.113 43.281 42.059 0.182 0.000 1.280 271 L HN 0.501 nan 8.230 nan 0.000 0.449 272 D N 0.712 121.218 120.400 0.177 0.000 2.401 272 D HA -0.096 4.551 4.640 0.012 0.000 0.254 272 D C 0.763 177.110 176.300 0.077 0.000 1.192 272 D CA 0.372 54.431 54.000 0.099 0.000 0.885 272 D CB 0.791 41.568 40.800 -0.039 0.000 1.147 272 D HN 0.311 nan 8.370 nan 0.000 0.478 273 Y N 3.785 124.120 120.300 0.058 0.000 2.224 273 Y HA -0.159 4.398 4.550 0.011 0.000 0.289 273 Y C 2.214 177.993 175.900 -0.202 0.000 1.146 273 Y CA 1.084 59.255 58.100 0.119 0.000 1.182 273 Y CB -0.076 38.593 38.460 0.348 0.000 0.983 273 Y HN 0.596 nan 8.280 nan 0.000 0.524 274 I N -0.260 119.867 120.570 -0.739 0.000 2.194 274 I HA -0.384 3.793 4.170 0.012 0.000 0.246 274 I C 1.594 177.464 176.117 -0.410 0.000 1.093 274 I CA 1.981 62.639 61.300 -1.071 0.000 1.355 274 I CB -0.173 37.044 38.000 -1.303 0.000 1.046 274 I HN 0.230 nan 8.210 nan 0.000 0.413 275 D N 0.421 120.632 120.400 -0.314 0.000 2.149 275 D HA -0.110 4.537 4.640 0.012 0.000 0.201 275 D C 2.298 178.549 176.300 -0.081 0.000 0.972 275 D CA 1.017 54.856 54.000 -0.268 0.000 0.835 275 D CB -0.158 40.386 40.800 -0.426 0.000 0.966 275 D HN 0.367 nan 8.370 nan 0.000 0.476 276 L N -0.231 120.986 121.223 -0.009 0.000 2.017 276 L HA -0.210 4.137 4.340 0.012 0.000 0.208 276 L C 2.451 179.161 176.870 -0.267 0.000 1.073 276 L CA 1.073 55.819 54.840 -0.158 0.000 0.745 276 L CB -0.488 41.417 42.059 -0.256 0.000 0.894 276 L HN 0.044 nan 8.230 nan 0.000 0.432 277 Y N 0.998 121.249 120.300 -0.082 0.000 2.114 277 Y HA -0.329 4.228 4.550 0.012 0.000 0.282 277 Y C 2.602 178.473 175.900 -0.048 0.000 1.165 277 Y CA 1.815 60.028 58.100 0.189 0.000 1.148 277 Y CB -0.037 38.703 38.460 0.468 0.000 0.972 277 Y HN 0.018 nan 8.280 nan 0.000 0.504 278 K N -0.172 120.179 120.400 -0.081 0.000 2.097 278 K HA -0.183 4.144 4.320 0.012 0.000 0.205 278 K C 2.196 178.539 176.600 -0.430 0.000 1.050 278 K CA 1.460 57.590 56.287 -0.262 0.000 0.938 278 K CB -0.117 32.147 32.500 -0.392 0.000 0.718 278 K HN 0.237 nan 8.250 nan 0.000 0.442 279 K N 0.101 120.169 120.400 -0.554 0.000 2.076 279 K HA -0.041 4.286 4.320 0.012 0.000 0.204 279 K C 1.422 177.503 176.600 -0.864 0.000 1.051 279 K CA 1.194 57.011 56.287 -0.783 0.000 0.949 279 K CB 0.153 32.028 32.500 -1.042 0.000 0.726 279 K HN 0.072 nan 8.250 nan 0.000 0.443 280 F N -0.333 119.220 119.950 -0.661 0.000 2.717 280 F HA 0.040 4.575 4.527 0.013 0.000 0.297 280 F C 2.358 177.855 175.800 -0.506 0.000 1.113 280 F CA -0.074 57.480 58.000 -0.744 0.000 1.319 280 F CB 0.478 38.704 39.000 -1.290 0.000 1.097 280 F HN 0.092 nan 8.300 nan 0.000 0.595 281 S N 0.211 115.701 115.700 -0.349 0.000 2.406 281 S HA -0.177 4.300 4.470 0.012 0.000 0.228 281 S C 0.747 175.416 174.600 0.114 0.000 1.020 281 S CA 0.280 58.428 58.200 -0.087 0.000 0.965 281 S CB -0.830 61.925 63.200 -0.742 0.000 0.798 281 S HN 0.315 nan 8.310 nan 0.000 0.488 282 F N 2.329 122.235 119.950 -0.073 0.000 2.983 282 F HA -0.147 4.388 4.527 0.013 0.000 0.288 282 F C 0.350 176.160 175.800 0.016 0.000 0.980 282 F CA 0.944 58.936 58.000 -0.014 0.000 0.965 282 F CB -2.232 36.777 39.000 0.015 0.000 0.967 282 F HN 0.565 nan 8.300 nan 0.000 0.800 283 T N -2.482 112.122 114.554 0.084 0.000 2.952 283 T HA 0.568 4.925 4.350 0.012 0.000 0.305 283 T C -0.815 173.928 174.700 0.073 0.000 1.064 283 T CA -1.024 61.127 62.100 0.085 0.000 1.008 283 T CB 2.267 71.169 68.868 0.057 0.000 1.078 283 T HN 0.122 nan 8.240 nan 0.000 0.459 284 N N 2.500 121.231 118.700 0.051 0.000 2.469 284 N HA 0.282 5.029 4.740 0.012 0.000 0.253 284 N C -0.722 174.764 175.510 -0.040 0.000 0.970 284 N CA -0.388 52.700 53.050 0.063 0.000 0.940 284 N CB 1.089 39.600 38.487 0.039 0.000 1.128 284 N HN 0.542 nan 8.380 nan 0.000 0.503 285 Q N 3.071 122.785 119.800 -0.144 0.000 2.222 285 Q HA 0.384 4.731 4.340 0.012 0.000 0.252 285 Q C -1.558 174.160 176.000 -0.470 0.000 0.926 285 Q CA -1.656 53.878 55.803 -0.448 0.000 0.899 285 Q CB 1.371 29.585 28.738 -0.874 0.000 1.250 285 Q HN 0.465 nan 8.270 nan 0.000 0.441 286 P HA -0.045 nan 4.420 nan 0.000 0.229 286 P C 0.157 177.035 177.300 -0.704 0.000 1.160 286 P CA 0.744 63.551 63.100 -0.488 0.000 0.777 286 P CB 0.677 32.166 31.700 -0.352 0.000 0.814 287 S N -1.516 113.577 115.700 -1.012 0.000 2.536 287 S HA 0.435 4.912 4.470 0.012 0.000 0.271 287 S C -0.987 173.147 174.600 -0.776 0.000 1.134 287 S CA -0.539 57.164 58.200 -0.829 0.000 0.897 287 S CB 0.660 63.342 63.200 -0.863 0.000 1.094 287 S HN -0.141 nan 8.310 nan 0.000 0.473 288 Y N 2.407 122.620 120.300 -0.145 0.000 2.658 288 Y HA 0.286 4.843 4.550 0.012 0.000 0.276 288 Y C 1.396 177.452 175.900 0.260 0.000 1.167 288 Y CA -0.170 57.979 58.100 0.080 0.000 1.230 288 Y CB 0.375 38.884 38.460 0.081 0.000 1.144 288 Y HN 0.707 nan 8.280 nan 0.000 0.529 289 S N -0.252 115.549 115.700 0.168 0.000 2.568 289 S HA -0.038 4.439 4.470 0.012 0.000 0.282 289 S C 1.305 175.865 174.600 -0.066 0.000 1.338 289 S CA -0.575 57.709 58.200 0.141 0.000 1.045 289 S CB 0.974 64.208 63.200 0.056 0.000 0.873 289 S HN 0.444 nan 8.310 nan 0.000 0.516 290 L N 2.227 123.221 121.223 -0.382 0.000 2.012 290 L HA -0.053 4.294 4.340 0.012 0.000 0.210 290 L C 2.103 178.702 176.870 -0.451 0.000 1.073 290 L CA 2.554 56.872 54.840 -0.870 0.000 0.748 290 L CB -1.368 40.208 42.059 -0.806 0.000 0.891 290 L HN 1.013 nan 8.230 nan 0.000 0.431 291 D N -2.117 118.146 120.400 -0.229 0.000 2.116 291 D HA -0.328 4.319 4.640 0.012 0.000 0.193 291 D C 2.117 178.355 176.300 -0.103 0.000 0.998 291 D CA 1.771 55.685 54.000 -0.143 0.000 0.836 291 D CB -0.286 40.478 40.800 -0.059 0.000 0.951 291 D HN 0.503 nan 8.370 nan 0.000 0.449 292 Y N 0.288 120.494 120.300 -0.157 0.000 2.163 292 Y HA -0.109 4.448 4.550 0.012 0.000 0.288 292 Y C 2.012 177.834 175.900 -0.129 0.000 1.136 292 Y CA 1.189 59.217 58.100 -0.119 0.000 1.147 292 Y CB -0.101 38.284 38.460 -0.124 0.000 0.987 292 Y HN 0.047 nan 8.280 nan 0.000 0.509 293 I N -0.056 120.505 120.570 -0.016 0.000 2.315 293 I HA -0.251 3.927 4.170 0.012 0.000 0.248 293 I C 2.541 178.588 176.117 -0.117 0.000 1.117 293 I CA 1.749 62.980 61.300 -0.116 0.000 1.404 293 I CB -1.776 35.990 38.000 -0.391 0.000 1.071 293 I HN 0.343 nan 8.210 nan 0.000 0.419 294 S N 0.507 116.072 115.700 -0.225 0.000 2.368 294 S HA -0.181 4.296 4.470 0.012 0.000 0.225 294 S C 1.825 176.349 174.600 -0.126 0.000 1.030 294 S CA 0.972 59.058 58.200 -0.190 0.000 0.999 294 S CB -0.623 62.431 63.200 -0.243 0.000 0.844 294 S HN 0.472 nan 8.310 nan 0.000 0.459 295 E N 0.490 120.602 120.200 -0.147 0.000 2.058 295 E HA -0.123 4.234 4.350 0.012 0.000 0.194 295 E C 1.780 178.318 176.600 -0.104 0.000 0.997 295 E CA 1.432 57.742 56.400 -0.151 0.000 0.801 295 E CB -0.295 29.270 29.700 -0.225 0.000 0.746 295 E HN 0.627 nan 8.360 nan 0.000 0.450 296 F N 1.908 121.723 119.950 -0.225 0.000 2.075 296 F HA -0.197 4.337 4.527 0.013 0.000 0.297 296 F C 2.249 178.027 175.800 -0.037 0.000 1.113 296 F CA 1.426 59.350 58.000 -0.127 0.000 1.218 296 F CB 0.170 39.132 39.000 -0.065 0.000 0.984 296 F HN -0.101 nan 8.300 nan 0.000 0.472 297 E N 0.180 120.480 120.200 0.166 0.000 2.112 297 E HA -0.044 4.314 4.350 0.012 0.000 0.190 297 E C 2.064 178.649 176.600 -0.025 0.000 0.979 297 E CA 1.247 57.712 56.400 0.107 0.000 0.814 297 E CB -0.106 29.721 29.700 0.210 0.000 0.762 297 E HN 0.477 nan 8.360 nan 0.000 0.460 298 L N -0.037 121.156 121.223 -0.049 0.000 2.817 298 L HA 0.191 4.538 4.340 0.012 0.000 0.248 298 L C 0.367 177.202 176.870 -0.059 0.000 1.133 298 L CA -0.242 54.568 54.840 -0.050 0.000 0.935 298 L CB 0.115 42.125 42.059 -0.082 0.000 1.266 298 L HN -0.011 nan 8.230 nan 0.000 0.535 299 N N 1.218 119.864 118.700 -0.089 0.000 2.735 299 N HA -0.162 4.585 4.740 0.012 0.000 0.248 299 N C -0.551 174.908 175.510 -0.085 0.000 1.083 299 N CA 0.852 53.846 53.050 -0.093 0.000 0.703 299 N CB -1.063 37.377 38.487 -0.078 0.000 1.005 299 N HN 0.247 nan 8.380 nan 0.000 0.550 300 V N -1.693 118.164 119.914 -0.095 0.000 2.435 300 V HA 0.938 5.066 4.120 0.012 0.000 0.290 300 V C 1.374 177.406 176.094 -0.102 0.000 1.030 300 V CA -0.329 61.915 62.300 -0.093 0.000 0.881 300 V CB 1.508 33.270 31.823 -0.101 0.000 0.983 300 V HN 0.279 nan 8.190 nan 0.000 0.445 301 G N 2.880 111.627 108.800 -0.087 0.000 2.569 301 G HA2 0.265 4.232 3.960 0.012 0.000 0.249 301 G HA3 0.265 4.232 3.960 0.012 0.000 0.249 301 G C -0.076 174.765 174.900 -0.098 0.000 1.216 301 G CA -0.648 44.401 45.100 -0.085 0.000 0.845 301 G HN 1.109 nan 8.290 nan 0.000 0.568 302 K N 0.489 120.835 120.400 -0.090 0.000 2.489 302 K HA -0.004 4.324 4.320 0.012 0.000 0.278 302 K C 0.043 176.582 176.600 -0.101 0.000 1.000 302 K CA -0.595 55.637 56.287 -0.092 0.000 1.012 302 K CB 0.171 32.636 32.500 -0.060 0.000 0.903 302 K HN 0.068 nan 8.250 nan 0.000 0.485 303 L N 4.928 126.047 121.223 -0.173 0.000 2.565 303 L HA 0.089 4.436 4.340 0.012 0.000 0.275 303 L C 0.823 177.740 176.870 0.079 0.000 1.137 303 L CA 0.809 55.485 54.840 -0.273 0.000 0.915 303 L CB -0.367 41.164 42.059 -0.880 0.000 1.232 303 L HN 0.626 nan 8.230 nan 0.000 0.473 304 K N 4.849 125.351 120.400 0.170 0.000 2.249 304 K HA 0.357 4.684 4.320 0.012 0.000 0.280 304 K C -1.091 175.725 176.600 0.360 0.000 1.033 304 K CA -0.344 56.038 56.287 0.159 0.000 0.946 304 K CB 0.805 33.362 32.500 0.096 0.000 1.005 304 K HN 0.519 nan 8.250 nan 0.000 0.469 305 Y N -0.433 119.972 120.300 0.175 0.000 2.552 305 Y HA 0.355 4.912 4.550 0.011 0.000 0.337 305 Y C -1.408 174.546 175.900 0.090 0.000 1.094 305 Y CA -1.421 56.761 58.100 0.136 0.000 1.028 305 Y CB 0.802 39.357 38.460 0.158 0.000 1.321 305 Y HN 0.460 nan 8.280 nan 0.000 0.456 306 D N 1.308 121.844 120.400 0.227 0.000 2.253 306 D HA 0.568 5.216 4.640 0.012 0.000 0.249 306 D C 0.400 176.826 176.300 0.210 0.000 1.049 306 D CA 1.112 55.195 54.000 0.138 0.000 0.929 306 D CB 1.436 42.291 40.800 0.091 0.000 1.176 306 D HN 1.136 nan 8.370 nan 0.000 0.437 307 G N 0.914 109.797 108.800 0.138 0.000 2.860 307 G HA2 -0.118 3.849 3.960 0.012 0.000 0.553 307 G HA3 -0.118 3.849 3.960 0.012 0.000 0.553 307 G C -2.613 172.424 174.900 0.227 0.000 1.439 307 G CA -1.057 44.129 45.100 0.143 0.000 0.879 307 G HN 0.481 nan 8.290 nan 0.000 0.545 308 P HA 0.351 nan 4.420 nan 0.000 0.278 308 P C 1.313 178.752 177.300 0.232 0.000 1.258 308 P CA -0.825 62.407 63.100 0.220 0.000 0.811 308 P CB 0.908 32.679 31.700 0.119 0.000 1.063 309 I N 1.326 122.045 120.570 0.248 0.000 2.335 309 I HA -0.209 3.968 4.170 0.012 0.000 0.251 309 I C 1.624 177.762 176.117 0.035 0.000 1.129 309 I CA 2.079 63.428 61.300 0.081 0.000 1.402 309 I CB -0.650 37.410 38.000 0.101 0.000 1.069 309 I HN 0.359 nan 8.210 nan 0.000 0.424 310 S N -0.486 115.228 115.700 0.022 0.000 2.603 310 S HA -0.034 4.443 4.470 0.012 0.000 0.229 310 S C 1.505 176.062 174.600 -0.071 0.000 0.972 310 S CA 0.271 58.441 58.200 -0.049 0.000 0.935 310 S CB -0.164 62.990 63.200 -0.075 0.000 0.769 310 S HN 0.479 nan 8.310 nan 0.000 0.536 311 K N -0.239 120.141 120.400 -0.033 0.000 2.402 311 K HA 0.356 4.683 4.320 0.012 0.000 0.204 311 K C 1.159 177.723 176.600 -0.060 0.000 1.056 311 K CA -0.138 56.124 56.287 -0.042 0.000 1.069 311 K CB 0.176 32.673 32.500 -0.004 0.000 0.888 311 K HN 0.170 nan 8.250 nan 0.000 0.546 312 L N 1.808 122.983 121.223 -0.080 0.000 2.056 312 L HA -0.039 4.309 4.340 0.012 0.000 0.207 312 L C 2.312 179.060 176.870 -0.204 0.000 1.078 312 L CA 1.705 56.487 54.840 -0.097 0.000 0.749 312 L CB -0.238 41.762 42.059 -0.098 0.000 0.901 312 L HN 0.048 nan 8.230 nan 0.000 0.433 313 R N -0.511 119.674 120.500 -0.525 0.000 2.081 313 R HA -0.217 4.130 4.340 0.012 0.000 0.235 313 R C 2.320 178.492 176.300 -0.213 0.000 1.131 313 R CA 1.855 57.552 56.100 -0.673 0.000 0.960 313 R CB -0.296 29.359 30.300 -1.074 0.000 0.856 313 R HN 0.586 nan 8.270 nan 0.000 0.436 314 E N -0.239 119.867 120.200 -0.157 0.000 2.152 314 E HA -0.131 4.226 4.350 0.012 0.000 0.192 314 E C 1.556 178.138 176.600 -0.030 0.000 0.983 314 E CA 1.476 57.836 56.400 -0.066 0.000 0.818 314 E CB 0.131 29.804 29.700 -0.045 0.000 0.758 314 E HN 0.485 nan 8.360 nan 0.000 0.467 315 S N -0.567 115.115 115.700 -0.030 0.000 2.475 315 S HA 0.053 4.531 4.470 0.012 0.000 0.224 315 S C 0.981 175.587 174.600 0.010 0.000 1.042 315 S CA -0.064 58.134 58.200 -0.003 0.000 0.935 315 S CB 0.393 63.597 63.200 0.006 0.000 0.801 315 S HN 0.046 nan 8.310 nan 0.000 0.509 316 N N 0.669 119.372 118.700 0.006 0.000 2.700 316 N HA 0.143 4.891 4.740 0.012 0.000 0.242 316 N C 0.148 175.690 175.510 0.054 0.000 1.541 316 N CA -0.243 52.820 53.050 0.022 0.000 0.764 316 N CB -0.075 38.409 38.487 -0.006 0.000 1.319 316 N HN 0.439 nan 8.380 nan 0.000 0.518 317 H N 0.417 119.488 119.070 0.001 0.000 2.390 317 H HA -0.186 4.377 4.556 0.011 0.000 0.298 317 H C 1.309 176.741 175.328 0.175 0.000 1.106 317 H CA 2.134 58.225 56.048 0.072 0.000 1.297 317 H CB 0.649 30.450 29.762 0.065 0.000 1.375 317 H HN 0.453 nan 8.280 nan 0.000 0.509 318 Q N 1.278 121.114 119.800 0.060 0.000 2.045 318 Q HA -0.195 4.152 4.340 0.012 0.000 0.206 318 Q C 2.617 178.638 176.000 0.035 0.000 0.991 318 Q CA 2.272 58.113 55.803 0.063 0.000 0.851 318 Q CB -0.353 28.396 28.738 0.018 0.000 0.911 318 Q HN 0.407 nan 8.270 nan 0.000 0.418 319 R N -1.507 118.947 120.500 -0.076 0.000 2.075 319 R HA -0.152 4.195 4.340 0.012 0.000 0.232 319 R C 2.160 178.272 176.300 -0.313 0.000 1.126 319 R CA 1.238 57.165 56.100 -0.288 0.000 0.963 319 R CB -0.583 29.480 30.300 -0.396 0.000 0.858 319 R HN 0.417 nan 8.270 nan 0.000 0.435 320 Y N 1.008 121.136 120.300 -0.286 0.000 2.040 320 Y HA -0.319 4.238 4.550 0.011 0.000 0.275 320 Y C 1.899 177.700 175.900 -0.164 0.000 1.171 320 Y CA 1.932 59.907 58.100 -0.208 0.000 1.123 320 Y CB -0.227 38.160 38.460 -0.122 0.000 0.963 320 Y HN 0.046 nan 8.280 nan 0.000 0.493 321 I N -0.834 119.658 120.570 -0.130 0.000 2.226 321 I HA -0.284 3.893 4.170 0.012 0.000 0.245 321 I C 2.471 178.429 176.117 -0.264 0.000 1.100 321 I CA 1.671 62.798 61.300 -0.288 0.000 1.374 321 I CB -1.621 36.082 38.000 -0.496 0.000 1.057 321 I HN 0.185 nan 8.210 nan 0.000 0.413 322 S N -0.347 115.307 115.700 -0.076 0.000 2.382 322 S HA -0.150 4.328 4.470 0.012 0.000 0.228 322 S C 2.014 176.734 174.600 0.200 0.000 1.027 322 S CA 1.026 59.283 58.200 0.096 0.000 0.991 322 S CB -0.339 62.996 63.200 0.226 0.000 0.823 322 S HN 0.451 nan 8.310 nan 0.000 0.469 323 Y N 1.571 121.825 120.300 -0.077 0.000 2.395 323 Y HA -0.015 4.542 4.550 0.011 0.000 0.293 323 Y C 2.715 178.545 175.900 -0.117 0.000 1.123 323 Y CA 0.274 58.326 58.100 -0.080 0.000 1.227 323 Y CB -0.137 38.276 38.460 -0.077 0.000 1.012 323 Y HN 0.371 nan 8.280 nan 0.000 0.552 324 N N 1.296 119.983 118.700 -0.021 0.000 2.142 324 N HA -0.167 4.580 4.740 0.012 0.000 0.186 324 N C 1.642 177.150 175.510 -0.003 0.000 1.023 324 N CA 1.114 54.122 53.050 -0.070 0.000 0.852 324 N CB -0.122 38.268 38.487 -0.162 0.000 0.998 324 N HN 0.323 nan 8.380 nan 0.000 0.424 325 I N 0.951 121.500 120.570 -0.035 0.000 2.252 325 I HA -0.222 3.955 4.170 0.012 0.000 0.245 325 I C 2.163 178.275 176.117 -0.008 0.000 1.102 325 I CA 0.859 62.136 61.300 -0.039 0.000 1.385 325 I CB -0.162 37.732 38.000 -0.176 0.000 1.064 325 I HN 0.115 nan 8.210 nan 0.000 0.414 326 I N 0.753 121.329 120.570 0.011 0.000 2.315 326 I HA -0.249 3.928 4.170 0.012 0.000 0.248 326 I C 2.803 178.938 176.117 0.030 0.000 1.117 326 I CA 1.071 62.390 61.300 0.032 0.000 1.404 326 I CB -0.460 37.537 38.000 -0.005 0.000 1.071 326 I HN 0.174 nan 8.210 nan 0.000 0.419 327 A N 0.644 123.467 122.820 0.004 0.000 1.873 327 A HA -0.205 4.122 4.320 0.012 0.000 0.218 327 A C 2.450 180.065 177.584 0.052 0.000 1.193 327 A CA 2.230 54.259 52.037 -0.012 0.000 0.629 327 A CB -1.105 17.891 19.000 -0.007 0.000 0.826 327 A HN 0.233 nan 8.150 nan 0.000 0.447 328 V N -1.542 118.462 119.914 0.150 0.000 2.295 328 V HA -0.263 3.864 4.120 0.012 0.000 0.246 328 V C 2.374 178.638 176.094 0.284 0.000 1.049 328 V CA 2.140 64.593 62.300 0.254 0.000 1.024 328 V CB -1.024 31.043 31.823 0.407 0.000 0.648 328 V HN 0.682 nan 8.190 nan 0.000 0.447 329 Y N 1.473 121.867 120.300 0.155 0.000 2.165 329 Y HA -0.217 4.340 4.550 0.012 0.000 0.286 329 Y C 2.709 178.596 175.900 -0.022 0.000 1.155 329 Y CA 1.551 59.707 58.100 0.094 0.000 1.164 329 Y CB -0.365 38.074 38.460 -0.035 0.000 0.978 329 Y HN 0.090 nan 8.280 nan 0.000 0.513 330 R N -0.186 120.232 120.500 -0.136 0.000 2.096 330 R HA -0.157 4.191 4.340 0.012 0.000 0.240 330 R C 2.400 178.525 176.300 -0.292 0.000 1.139 330 R CA 1.526 57.458 56.100 -0.280 0.000 0.952 330 R CB -1.492 28.669 30.300 -0.231 0.000 0.854 330 R HN 0.352 nan 8.270 nan 0.000 0.436 331 V N 1.749 121.539 119.914 -0.207 0.000 2.332 331 V HA -0.234 3.894 4.120 0.012 0.000 0.248 331 V C 2.531 178.431 176.094 -0.325 0.000 1.055 331 V CA 1.667 63.821 62.300 -0.243 0.000 1.038 331 V CB -0.541 31.238 31.823 -0.073 0.000 0.651 331 V HN 0.200 nan 8.190 nan 0.000 0.450 332 L N -0.613 120.475 121.223 -0.227 0.000 2.083 332 L HA -0.246 4.101 4.340 0.012 0.000 0.209 332 L C 2.676 179.392 176.870 -0.256 0.000 1.083 332 L CA 1.655 56.365 54.840 -0.217 0.000 0.752 332 L CB -0.659 41.290 42.059 -0.183 0.000 0.899 332 L HN 0.372 nan 8.230 nan 0.000 0.433 333 Q N -0.096 119.472 119.800 -0.387 0.000 2.119 333 Q HA -0.167 4.180 4.340 0.012 0.000 0.201 333 Q C 2.339 178.206 176.000 -0.222 0.000 0.972 333 Q CA 1.355 56.950 55.803 -0.348 0.000 0.847 333 Q CB -0.093 28.354 28.738 -0.485 0.000 0.903 333 Q HN 0.541 nan 8.270 nan 0.000 0.433 334 I N 0.598 121.026 120.570 -0.237 0.000 2.202 334 I HA -0.256 3.921 4.170 0.012 0.000 0.242 334 I C 1.945 177.974 176.117 -0.145 0.000 1.091 334 I CA 1.324 62.532 61.300 -0.152 0.000 1.368 334 I CB -0.155 37.772 38.000 -0.123 0.000 1.058 334 I HN 0.159 nan 8.210 nan 0.000 0.410 335 D N 0.752 121.016 120.400 -0.227 0.000 2.178 335 D HA -0.142 4.505 4.640 0.012 0.000 0.202 335 D C 2.191 178.456 176.300 -0.059 0.000 0.974 335 D CA 1.222 55.182 54.000 -0.067 0.000 0.841 335 D CB 0.087 40.891 40.800 0.006 0.000 0.953 335 D HN 0.296 nan 8.370 nan 0.000 0.478 336 A N 0.456 123.227 122.820 -0.080 0.000 1.940 336 A HA -0.235 4.092 4.320 0.012 0.000 0.219 336 A C 2.092 179.632 177.584 -0.072 0.000 1.176 336 A CA 1.761 53.765 52.037 -0.054 0.000 0.631 336 A CB -0.557 18.417 19.000 -0.044 0.000 0.814 336 A HN 0.250 nan 8.150 nan 0.000 0.446 337 K N -1.331 119.011 120.400 -0.096 0.000 2.005 337 K HA -0.061 4.266 4.320 0.012 0.000 0.206 337 K C 2.137 178.647 176.600 -0.151 0.000 1.044 337 K CA 0.722 56.941 56.287 -0.114 0.000 0.942 337 K CB -0.137 32.306 32.500 -0.094 0.000 0.727 337 K HN 0.204 nan 8.250 nan 0.000 0.439 338 R N 0.670 121.029 120.500 -0.234 0.000 2.153 338 R HA 0.031 4.378 4.340 0.012 0.000 0.218 338 R C 0.444 176.478 176.300 -0.443 0.000 1.072 338 R CA 0.645 56.452 56.100 -0.488 0.000 0.990 338 R CB -0.311 29.318 30.300 -1.117 0.000 0.889 338 R HN 0.423 nan 8.270 nan 0.000 0.452 339 Q N -0.681 118.980 119.800 -0.233 0.000 2.481 339 Q HA -0.179 4.168 4.340 0.012 0.000 0.272 339 Q C 0.101 176.150 176.000 0.082 0.000 1.157 339 Q CA 0.326 56.097 55.803 -0.053 0.000 0.935 339 Q CB -1.401 27.307 28.738 -0.051 0.000 1.338 339 Q HN 0.175 nan 8.270 nan 0.000 0.494 340 F N -0.730 119.283 119.950 0.105 0.000 2.293 340 F HA -0.119 4.415 4.527 0.012 0.000 0.300 340 F C 2.080 177.847 175.800 -0.054 0.000 1.086 340 F CA 0.528 58.512 58.000 -0.026 0.000 1.375 340 F CB -0.233 38.755 39.000 -0.019 0.000 1.045 340 F HN 0.262 nan 8.300 nan 0.000 0.516 341 I N 0.017 120.730 120.570 0.239 0.000 2.193 341 I HA -0.274 3.903 4.170 0.012 0.000 0.240 341 I C 2.278 178.433 176.117 0.063 0.000 1.084 341 I CA 1.324 62.717 61.300 0.156 0.000 1.365 341 I CB -1.438 36.695 38.000 0.221 0.000 1.064 341 I HN 0.161 nan 8.210 nan 0.000 0.410 342 N N 1.608 120.344 118.700 0.060 0.000 2.036 342 N HA -0.254 4.493 4.740 0.012 0.000 0.195 342 N C 1.900 177.402 175.510 -0.014 0.000 1.037 342 N CA 1.667 54.734 53.050 0.029 0.000 0.855 342 N CB -0.330 38.154 38.487 -0.004 0.000 1.033 342 N HN 0.203 nan 8.380 nan 0.000 0.423 343 L N 0.390 121.574 121.223 -0.065 0.000 1.990 343 L HA -0.136 4.211 4.340 0.012 0.000 0.213 343 L C 2.112 178.849 176.870 -0.222 0.000 1.072 343 L CA 1.943 56.673 54.840 -0.183 0.000 0.755 343 L CB -1.142 40.736 42.059 -0.302 0.000 0.889 343 L HN 0.170 nan 8.230 nan 0.000 0.432 344 S N -0.490 115.085 115.700 -0.208 0.000 2.382 344 S HA -0.132 4.345 4.470 0.012 0.000 0.228 344 S C 1.920 176.393 174.600 -0.212 0.000 1.027 344 S CA 1.656 59.729 58.200 -0.211 0.000 0.991 344 S CB -0.476 62.630 63.200 -0.157 0.000 0.823 344 S HN 0.466 nan 8.310 nan 0.000 0.469 345 L N 1.313 122.421 121.223 -0.193 0.000 2.027 345 L HA -0.132 4.215 4.340 0.012 0.000 0.206 345 L C 2.412 179.096 176.870 -0.310 0.000 1.074 345 L CA 1.180 55.821 54.840 -0.333 0.000 0.745 345 L CB -0.672 41.214 42.059 -0.289 0.000 0.898 345 L HN 0.223 nan 8.230 nan 0.000 0.433 346 D N 0.043 120.395 120.400 -0.080 0.000 2.126 346 D HA -0.257 4.390 4.640 0.012 0.000 0.190 346 D C 2.256 178.585 176.300 0.049 0.000 1.001 346 D CA 1.882 55.938 54.000 0.094 0.000 0.841 346 D CB -0.045 40.785 40.800 0.049 0.000 0.949 346 D HN 0.305 nan 8.370 nan 0.000 0.446 347 M N -0.162 119.401 119.600 -0.061 0.000 2.156 347 M HA -0.023 4.464 4.480 0.012 0.000 0.264 347 M C 2.364 178.648 176.300 -0.027 0.000 1.067 347 M CA 1.341 56.612 55.300 -0.048 0.000 1.131 347 M CB -0.268 32.251 32.600 -0.135 0.000 1.368 347 M HN -0.005 nan 8.290 nan 0.000 0.416 348 G N -0.520 108.196 108.800 -0.139 0.000 2.421 348 G HA2 -0.228 3.739 3.960 0.012 0.000 0.216 348 G HA3 -0.228 3.739 3.960 0.012 0.000 0.216 348 G C 1.102 175.921 174.900 -0.135 0.000 1.171 348 G CA 0.837 45.821 45.100 -0.193 0.000 0.775 348 G HN 0.336 nan 8.290 nan 0.000 0.543 349 Y N -0.908 119.350 120.300 -0.070 0.000 2.314 349 Y HA 0.005 4.563 4.550 0.012 0.000 0.293 349 Y C 2.424 178.371 175.900 0.078 0.000 1.129 349 Y CA 0.458 58.534 58.100 -0.040 0.000 1.201 349 Y CB -0.718 37.622 38.460 -0.202 0.000 0.999 349 Y HN 0.306 nan 8.280 nan 0.000 0.541 350 Y N 0.207 120.583 120.300 0.128 0.000 2.181 350 Y HA -0.223 4.334 4.550 0.012 0.000 0.288 350 Y C 2.372 178.302 175.900 0.050 0.000 1.146 350 Y CA 1.468 59.618 58.100 0.083 0.000 1.164 350 Y CB -0.471 38.008 38.460 0.031 0.000 0.982 350 Y HN 0.025 nan 8.280 nan 0.000 0.515 351 A N -0.357 122.480 122.820 0.028 0.000 2.072 351 A HA 0.049 4.377 4.320 0.012 0.000 0.216 351 A C 1.014 178.598 177.584 -0.001 0.000 1.156 351 A CA 0.770 52.777 52.037 -0.050 0.000 0.701 351 A CB -0.325 18.657 19.000 -0.029 0.000 0.816 351 A HN 0.428 nan 8.150 nan 0.000 0.458 352 K N -0.601 119.848 120.400 0.081 0.000 3.239 352 K HA -0.138 4.190 4.320 0.012 0.000 0.270 352 K C -0.336 176.289 176.600 0.042 0.000 1.083 352 K CA 0.881 57.245 56.287 0.129 0.000 0.782 352 K CB -2.075 30.467 32.500 0.070 0.000 1.290 352 K HN 0.816 nan 8.250 nan 0.000 0.474 353 I N -3.399 117.205 120.570 0.056 0.000 3.067 353 I HA 0.330 4.508 4.170 0.012 0.000 0.312 353 I C 0.124 176.247 176.117 0.010 0.000 1.073 353 I CA -1.410 59.893 61.300 0.004 0.000 1.016 353 I CB 1.426 39.431 38.000 0.010 0.000 1.227 353 I HN -0.025 nan 8.210 nan 0.000 0.456 354 Q N 1.933 121.729 119.800 -0.006 0.000 2.286 354 Q HA 0.102 4.449 4.340 0.012 0.000 0.290 354 Q C 0.973 176.968 176.000 -0.007 0.000 1.049 354 Q CA -0.297 55.521 55.803 0.025 0.000 0.923 354 Q CB 1.143 29.890 28.738 0.016 0.000 1.183 354 Q HN 0.523 nan 8.270 nan 0.000 0.383 355 I N 2.575 123.121 120.570 -0.039 0.000 2.185 355 I HA -0.342 3.835 4.170 0.012 0.000 0.246 355 I C 2.377 178.449 176.117 -0.074 0.000 1.088 355 I CA 1.668 62.894 61.300 -0.123 0.000 1.347 355 I CB -1.313 36.587 38.000 -0.165 0.000 1.041 355 I HN 0.761 nan 8.210 nan 0.000 0.415 356 Q N 0.273 120.073 119.800 -0.000 0.000 2.541 356 Q HA -0.057 4.290 4.340 0.012 0.000 0.215 356 Q C 1.663 177.729 176.000 0.109 0.000 0.977 356 Q CA 1.014 56.866 55.803 0.081 0.000 0.934 356 Q CB -0.661 28.150 28.738 0.121 0.000 0.988 356 Q HN 0.357 nan 8.270 nan 0.000 0.521 357 S N 1.198 116.916 115.700 0.029 0.000 2.527 357 S HA -0.021 4.456 4.470 0.012 0.000 0.222 357 S C 1.905 176.511 174.600 0.010 0.000 0.985 357 S CA 0.655 58.878 58.200 0.038 0.000 0.921 357 S CB -0.115 63.096 63.200 0.019 0.000 0.772 357 S HN 0.504 nan 8.310 nan 0.000 0.529 358 V N -0.843 119.024 119.914 -0.078 0.000 2.660 358 V HA -0.151 3.977 4.120 0.012 0.000 0.257 358 V C 1.535 177.566 176.094 -0.105 0.000 1.088 358 V CA 1.621 63.849 62.300 -0.119 0.000 1.106 358 V CB -1.278 30.436 31.823 -0.183 0.000 0.686 358 V HN 0.408 nan 8.190 nan 0.000 0.481 359 F N 1.354 121.285 119.950 -0.031 0.000 2.699 359 F HA 0.255 4.790 4.527 0.014 0.000 0.298 359 F C 1.649 177.397 175.800 -0.087 0.000 1.154 359 F CA 1.094 59.023 58.000 -0.119 0.000 1.457 359 F CB -0.181 38.723 39.000 -0.160 0.000 1.106 359 F HN 0.292 nan 8.300 nan 0.000 0.585 360 S N 1.136 116.905 115.700 0.115 0.000 2.667 360 S HA 0.300 4.777 4.470 0.012 0.000 0.304 360 S C -1.664 172.987 174.600 0.086 0.000 1.135 360 S CA -1.675 56.577 58.200 0.087 0.000 1.125 360 S CB 1.003 64.247 63.200 0.074 0.000 0.996 360 S HN -0.193 nan 8.310 nan 0.000 0.474 361 P HA -0.052 nan 4.420 nan 0.000 0.220 361 P C 1.455 178.901 177.300 0.244 0.000 1.148 361 P CA 0.853 64.046 63.100 0.155 0.000 0.803 361 P CB 0.082 31.914 31.700 0.220 0.000 0.782 362 I N -0.018 120.674 120.570 0.203 0.000 2.179 362 I HA -0.248 3.929 4.170 0.012 0.000 0.242 362 I C 2.572 178.898 176.117 0.348 0.000 1.088 362 I CA 1.585 63.051 61.300 0.277 0.000 1.357 362 I CB -0.424 37.736 38.000 0.267 0.000 1.051 362 I HN -0.079 nan 8.210 nan 0.000 0.409 363 K N 0.713 121.241 120.400 0.213 0.000 2.155 363 K HA -0.098 4.229 4.320 0.012 0.000 0.203 363 K C 1.925 178.616 176.600 0.151 0.000 1.052 363 K CA 1.659 58.048 56.287 0.170 0.000 0.948 363 K CB -0.428 32.128 32.500 0.093 0.000 0.728 363 K HN 0.156 nan 8.250 nan 0.000 0.448 364 T N -0.393 114.212 114.554 0.085 0.000 2.708 364 T HA -0.124 4.233 4.350 0.012 0.000 0.266 364 T C 1.373 176.059 174.700 -0.025 0.000 1.037 364 T CA 1.739 63.812 62.100 -0.046 0.000 1.146 364 T CB -0.402 68.344 68.868 -0.203 0.000 0.865 364 T HN 0.402 nan 8.240 nan 0.000 0.435 365 W N 1.289 122.723 121.300 0.224 0.000 2.388 365 W HA -0.023 4.644 4.660 0.012 0.000 0.294 365 W C 2.313 179.065 176.519 0.388 0.000 1.212 365 W CA 0.281 57.802 57.345 0.293 0.000 1.271 365 W CB -0.270 29.360 29.460 0.283 0.000 1.126 365 W HN 0.247 nan 8.180 nan 0.000 0.535 366 D N 0.204 120.980 120.400 0.627 0.000 2.116 366 D HA -0.219 4.428 4.640 0.012 0.000 0.193 366 D C 2.198 178.739 176.300 0.402 0.000 0.998 366 D CA 2.215 56.507 54.000 0.487 0.000 0.836 366 D CB -0.461 40.533 40.800 0.324 0.000 0.951 366 D HN 0.021 nan 8.370 nan 0.000 0.449 367 A N -0.036 122.969 122.820 0.308 0.000 1.898 367 A HA -0.081 4.246 4.320 0.012 0.000 0.216 367 A C 2.518 180.241 177.584 0.232 0.000 1.181 367 A CA 1.103 53.313 52.037 0.288 0.000 0.620 367 A CB -0.744 18.363 19.000 0.177 0.000 0.819 367 A HN 0.345 nan 8.150 nan 0.000 0.442 368 I N -0.355 120.320 120.570 0.175 0.000 2.163 368 I HA -0.275 3.902 4.170 0.012 0.000 0.243 368 I C 2.257 178.484 176.117 0.184 0.000 1.085 368 I CA 1.470 62.839 61.300 0.115 0.000 1.347 368 I CB -0.284 37.784 38.000 0.114 0.000 1.044 368 I HN 0.298 nan 8.210 nan 0.000 0.408 369 I N -0.137 120.615 120.570 0.303 0.000 2.353 369 I HA -0.290 3.887 4.170 0.012 0.000 0.248 369 I C 2.437 178.685 176.117 0.219 0.000 1.119 369 I CA 1.331 62.766 61.300 0.224 0.000 1.417 369 I CB -0.319 37.791 38.000 0.184 0.000 1.078 369 I HN 0.191 nan 8.210 nan 0.000 0.421 370 F N 1.921 121.962 119.950 0.152 0.000 2.102 370 F HA -0.238 4.296 4.527 0.012 0.000 0.298 370 F C 2.377 178.226 175.800 0.083 0.000 1.105 370 F CA 1.651 59.725 58.000 0.124 0.000 1.239 370 F CB -0.266 38.812 39.000 0.128 0.000 0.991 370 F HN 0.046 nan 8.300 nan 0.000 0.474 371 N N 0.054 118.548 118.700 -0.344 0.000 2.223 371 N HA -0.193 4.555 4.740 0.012 0.000 0.185 371 N C 2.069 177.442 175.510 -0.227 0.000 1.016 371 N CA 1.343 54.133 53.050 -0.433 0.000 0.863 371 N CB -0.363 37.972 38.487 -0.253 0.000 0.983 371 N HN 0.346 nan 8.380 nan 0.000 0.429 372 S N 0.998 116.639 115.700 -0.099 0.000 2.368 372 S HA 0.041 4.518 4.470 0.012 0.000 0.224 372 S C 2.058 176.632 174.600 -0.043 0.000 1.029 372 S CA 0.598 58.772 58.200 -0.044 0.000 0.988 372 S CB -0.076 63.132 63.200 0.013 0.000 0.838 372 S HN 0.195 nan 8.310 nan 0.000 0.462 373 L N 0.933 122.138 121.223 -0.030 0.000 2.109 373 L HA 0.030 4.378 4.340 0.012 0.000 0.207 373 L C 2.653 179.513 176.870 -0.016 0.000 1.086 373 L CA 1.216 56.056 54.840 -0.000 0.000 0.760 373 L CB -0.425 41.668 42.059 0.057 0.000 0.910 373 L HN 0.307 nan 8.230 nan 0.000 0.437 374 K N 0.158 120.500 120.400 -0.097 0.000 2.103 374 K HA -0.213 4.114 4.320 0.012 0.000 0.207 374 K C 2.045 178.622 176.600 -0.038 0.000 1.048 374 K CA 1.186 57.419 56.287 -0.089 0.000 0.930 374 K CB 0.083 32.395 32.500 -0.312 0.000 0.716 374 K HN 0.168 nan 8.250 nan 0.000 0.444 375 E N 0.377 120.539 120.200 -0.064 0.000 2.160 375 E HA -0.170 4.187 4.350 0.012 0.000 0.195 375 E C 1.421 178.020 176.600 -0.001 0.000 0.991 375 E CA 1.031 57.414 56.400 -0.029 0.000 0.810 375 E CB 0.189 29.869 29.700 -0.033 0.000 0.742 375 E HN 0.426 nan 8.360 nan 0.000 0.466 376 Q N -0.001 119.803 119.800 0.005 0.000 2.280 376 Q HA 0.079 4.427 4.340 0.012 0.000 0.201 376 Q C -0.029 175.994 176.000 0.038 0.000 0.890 376 Q CA -0.148 55.666 55.803 0.018 0.000 0.947 376 Q CB 0.333 29.081 28.738 0.016 0.000 1.081 376 Q HN 0.168 nan 8.270 nan 0.000 0.502 377 N N 1.077 119.805 118.700 0.047 0.000 2.776 377 N HA -0.143 4.604 4.740 0.012 0.000 0.250 377 N C -0.769 174.811 175.510 0.117 0.000 1.112 377 N CA 0.880 53.977 53.050 0.078 0.000 0.733 377 N CB -0.934 37.539 38.487 -0.024 0.000 1.097 377 N HN 0.374 nan 8.380 nan 0.000 0.558 378 K N 0.393 120.842 120.400 0.082 0.000 2.118 378 K HA 0.556 4.884 4.320 0.012 0.000 0.267 378 K C 0.210 176.808 176.600 -0.002 0.000 0.991 378 K CA -0.553 55.775 56.287 0.069 0.000 0.916 378 K CB 1.843 34.377 32.500 0.057 0.000 1.041 378 K HN -0.168 nan 8.250 nan 0.000 0.455 379 V N 4.359 124.230 119.914 -0.071 0.000 2.435 379 V HA 0.298 4.425 4.120 0.012 0.000 0.290 379 V C 0.363 176.447 176.094 -0.017 0.000 1.030 379 V CA -0.989 61.189 62.300 -0.203 0.000 0.881 379 V CB 1.102 32.622 31.823 -0.505 0.000 0.983 379 V HN 0.671 nan 8.190 nan 0.000 0.445 380 I N 3.857 124.467 120.570 0.066 0.000 2.720 380 I HA 0.515 4.692 4.170 0.012 0.000 0.287 380 I C -2.165 173.994 176.117 0.071 0.000 1.090 380 I CA -1.825 59.554 61.300 0.131 0.000 1.384 380 I CB 1.062 39.177 38.000 0.190 0.000 1.420 380 I HN 0.377 nan 8.210 nan 0.000 0.575 381 P HA 0.090 nan 4.420 nan 0.000 0.276 381 P C -1.199 176.082 177.300 -0.033 0.000 1.252 381 P CA -0.344 62.782 63.100 0.043 0.000 0.802 381 P CB 0.669 32.418 31.700 0.081 0.000 1.035 382 Q N 0.249 120.048 119.800 -0.001 0.000 2.352 382 Q HA 0.340 4.687 4.340 0.012 0.000 0.260 382 Q C 0.390 176.348 176.000 -0.069 0.000 0.976 382 Q CA -0.397 55.389 55.803 -0.029 0.000 0.881 382 Q CB 0.219 28.953 28.738 -0.007 0.000 1.235 382 Q HN 0.599 nan 8.270 nan 0.000 0.419 383 G N 3.674 112.422 108.800 -0.087 0.000 2.343 383 G HA2 0.168 4.135 3.960 0.012 0.000 0.254 383 G HA3 0.168 4.135 3.960 0.012 0.000 0.254 383 G C -0.534 174.319 174.900 -0.079 0.000 1.277 383 G CA -0.293 44.760 45.100 -0.079 0.000 0.909 383 G HN 0.627 nan 8.290 nan 0.000 0.502 384 R N 0.871 121.306 120.500 -0.109 0.000 2.797 384 R HA 0.573 4.920 4.340 0.012 0.000 0.251 384 R C -0.030 175.998 176.300 -0.454 0.000 1.107 384 R CA -0.675 55.266 56.100 -0.264 0.000 1.084 384 R CB 1.548 31.662 30.300 -0.310 0.000 1.205 384 R HN 0.509 nan 8.270 nan 0.000 0.515 385 S N 0.477 115.869 115.700 -0.514 0.000 2.480 385 S HA 0.297 4.775 4.470 0.012 0.000 0.286 385 S C -1.034 173.136 174.600 -0.716 0.000 1.180 385 S CA -0.600 57.289 58.200 -0.518 0.000 1.075 385 S CB 0.269 63.287 63.200 -0.303 0.000 0.996 385 S HN 0.414 nan 8.310 nan 0.000 0.487 386 H N 3.616 122.469 119.070 -0.362 0.000 2.690 386 H HA 0.455 5.018 4.556 0.012 0.000 0.368 386 H C -2.472 172.665 175.328 -0.318 0.000 1.150 386 H CA -1.746 54.116 56.048 -0.309 0.000 1.174 386 H CB 1.414 30.921 29.762 -0.425 0.000 1.684 386 H HN 0.498 nan 8.280 nan 0.000 0.538 387 P HA 0.097 nan 4.420 nan 0.000 0.280 387 P C -0.045 177.222 177.300 -0.056 0.000 1.244 387 P CA -0.541 62.518 63.100 -0.068 0.000 0.784 387 P CB 1.182 32.871 31.700 -0.018 0.000 0.913 388 V N 4.372 124.244 119.914 -0.069 0.000 2.450 388 V HA 0.018 4.145 4.120 0.012 0.000 0.281 388 V C 0.724 176.846 176.094 0.047 0.000 1.019 388 V CA 0.508 62.793 62.300 -0.024 0.000 1.062 388 V CB -0.610 31.203 31.823 -0.018 0.000 0.979 388 V HN 0.531 nan 8.190 nan 0.000 0.477 389 Q N 5.698 125.564 119.800 0.110 0.000 2.340 389 Q HA 0.466 4.813 4.340 0.012 0.000 0.268 389 Q C -2.482 173.629 176.000 0.186 0.000 1.031 389 Q CA -1.860 54.019 55.803 0.126 0.000 0.804 389 Q CB 2.293 31.104 28.738 0.121 0.000 1.286 389 Q HN 0.530 nan 8.270 nan 0.000 0.448 390 P HA 0.037 nan 4.420 nan 0.000 0.271 390 P C -1.490 175.940 177.300 0.217 0.000 1.216 390 P CA 0.100 63.282 63.100 0.137 0.000 0.776 390 P CB 0.194 31.934 31.700 0.067 0.000 0.881 391 Y N 0.440 120.767 120.300 0.045 0.000 2.581 391 Y HA 0.780 5.337 4.550 0.012 0.000 0.345 391 Y C -2.797 173.128 175.900 0.042 0.000 1.036 391 Y CA -3.074 55.046 58.100 0.033 0.000 1.042 391 Y CB -0.223 38.247 38.460 0.017 0.000 1.289 391 Y HN 0.232 nan 8.280 nan 0.000 0.471 392 P HA 0.502 nan 4.420 nan 0.000 0.277 392 P C -0.376 176.922 177.300 -0.003 0.000 1.240 392 P CA -0.035 63.079 63.100 0.022 0.000 0.798 392 P CB 1.949 33.702 31.700 0.088 0.000 0.979 393 G N 0.130 108.928 108.800 -0.003 0.000 3.341 393 G HA2 0.599 4.566 3.960 0.012 0.000 0.177 393 G HA3 0.599 4.566 3.960 0.012 0.000 0.177 393 G C -0.565 174.423 174.900 0.147 0.000 1.236 393 G CA -0.183 44.953 45.100 0.060 0.000 0.888 393 G HN 0.726 nan 8.290 nan 0.000 0.644 394 A N -0.840 122.086 122.820 0.176 0.000 2.296 394 A HA 0.599 4.926 4.320 0.012 0.000 0.264 394 A C -0.930 176.779 177.584 0.207 0.000 1.097 394 A CA -0.370 51.800 52.037 0.220 0.000 0.811 394 A CB 0.385 19.502 19.000 0.195 0.000 1.072 394 A HN 0.727 nan 8.150 nan 0.000 0.495 395 F N 1.232 121.240 119.950 0.095 0.000 2.408 395 F HA 0.555 5.089 4.527 0.012 0.000 0.344 395 F C -0.500 175.325 175.800 0.042 0.000 1.112 395 F CA -0.408 57.632 58.000 0.068 0.000 1.096 395 F CB 1.272 40.312 39.000 0.067 0.000 1.129 395 F HN 0.247 nan 8.300 nan 0.000 0.486 396 V N 6.690 126.104 119.914 -0.832 0.000 2.444 396 V HA 0.295 4.422 4.120 0.012 0.000 0.294 396 V C -0.267 175.155 176.094 -1.120 0.000 1.022 396 V CA -1.195 60.692 62.300 -0.689 0.000 0.850 396 V CB 1.498 33.162 31.823 -0.264 0.000 0.992 396 V HN 0.751 nan 8.190 nan 0.000 0.426 397 K N 2.687 122.611 120.400 -0.793 0.000 2.237 397 K HA 0.309 4.637 4.320 0.012 0.000 0.270 397 K C -0.101 176.453 176.600 -0.076 0.000 1.015 397 K CA -0.429 55.638 56.287 -0.366 0.000 0.949 397 K CB 0.972 33.454 32.500 -0.031 0.000 0.976 397 K HN 0.745 nan 8.250 nan 0.000 0.472 398 E N 5.181 125.394 120.200 0.023 0.000 2.105 398 E HA 0.188 4.545 4.350 0.012 0.000 0.285 398 E C -2.275 174.394 176.600 0.114 0.000 1.055 398 E CA -2.134 54.322 56.400 0.093 0.000 0.843 398 E CB 0.752 30.495 29.700 0.072 0.000 1.067 398 E HN 0.286 nan 8.360 nan 0.000 0.398 399 P HA 0.195 nan 4.420 nan 0.000 0.282 399 P C -0.355 176.985 177.300 0.067 0.000 1.249 399 P CA -0.342 62.767 63.100 0.016 0.000 0.806 399 P CB 0.864 32.439 31.700 -0.209 0.000 0.984 400 I N 4.005 124.626 120.570 0.085 0.000 2.505 400 I HA 0.071 4.248 4.170 0.012 0.000 0.287 400 I C -1.852 174.403 176.117 0.229 0.000 1.104 400 I CA -1.835 59.552 61.300 0.144 0.000 1.387 400 I CB 0.116 38.202 38.000 0.144 0.000 1.404 400 I HN 0.128 nan 8.210 nan 0.000 0.528 401 P HA 0.088 nan 4.420 nan 0.000 0.265 401 P C -0.666 176.738 177.300 0.173 0.000 1.222 401 P CA 0.318 63.554 63.100 0.227 0.000 0.767 401 P CB 0.354 32.147 31.700 0.155 0.000 0.801 402 N N 1.797 120.633 118.700 0.227 0.000 3.127 402 N HA 0.159 4.907 4.740 0.012 0.000 0.239 402 N C -1.145 174.380 175.510 0.023 0.000 1.407 402 N CA -0.936 52.095 53.050 -0.032 0.000 0.891 402 N CB 1.601 39.853 38.487 -0.392 0.000 1.447 402 N HN 0.216 nan 8.380 nan 0.000 0.507 403 R N 0.564 121.012 120.500 -0.088 0.000 2.594 403 R HA 0.403 4.750 4.340 0.012 0.000 0.272 403 R C -1.063 175.081 176.300 -0.261 0.000 1.074 403 R CA 0.173 56.282 56.100 0.014 0.000 1.105 403 R CB 0.290 30.591 30.300 0.000 0.000 1.008 403 R HN 0.472 nan 8.270 nan 0.000 0.472 404 Y N 0.661 121.086 120.300 0.207 0.000 2.331 404 Y HA 0.227 4.784 4.550 0.012 0.000 0.326 404 Y C 0.708 176.677 175.900 0.115 0.000 1.020 404 Y CA -0.886 57.319 58.100 0.174 0.000 1.136 404 Y CB 2.237 40.851 38.460 0.258 0.000 1.157 404 Y HN 0.725 nan 8.280 nan 0.000 0.444 405 K N 2.182 122.661 120.400 0.131 0.000 2.044 405 K HA 0.091 4.418 4.320 0.012 0.000 0.204 405 K C -0.723 175.702 176.600 -0.291 0.000 1.049 405 K CA 1.139 57.349 56.287 -0.128 0.000 0.945 405 K CB 0.244 32.612 32.500 -0.220 0.000 0.724 405 K HN 0.644 nan 8.250 nan 0.000 0.440 406 Y N 0.320 120.690 120.300 0.117 0.000 2.331 406 Y HA 0.386 4.943 4.550 0.012 0.000 0.334 406 Y C -1.050 174.969 175.900 0.197 0.000 0.960 406 Y CA -1.096 57.057 58.100 0.087 0.000 1.130 406 Y CB 2.109 40.548 38.460 -0.035 0.000 1.164 406 Y HN -0.308 nan 8.280 nan 0.000 0.458 407 V N 5.059 125.203 119.914 0.384 0.000 2.709 407 V HA 0.478 4.605 4.120 0.012 0.000 0.308 407 V C -0.439 175.848 176.094 0.322 0.000 1.062 407 V CA -0.974 61.544 62.300 0.363 0.000 0.901 407 V CB 2.097 34.176 31.823 0.425 0.000 1.003 407 V HN 0.766 nan 8.190 nan 0.000 0.425 408 M N 3.712 123.466 119.600 0.257 0.000 2.321 408 M HA 0.518 5.005 4.480 0.012 0.000 0.315 408 M C -0.199 176.085 176.300 -0.028 0.000 1.052 408 M CA -0.353 55.000 55.300 0.089 0.000 0.936 408 M CB 2.364 35.005 32.600 0.067 0.000 1.639 408 M HN 0.798 nan 8.290 nan 0.000 0.433 409 S N 2.214 117.777 115.700 -0.227 0.000 2.608 409 S HA 0.838 5.315 4.470 0.012 0.000 0.291 409 S C -0.945 173.324 174.600 -0.551 0.000 1.146 409 S CA -0.609 57.340 58.200 -0.418 0.000 1.043 409 S CB 1.187 64.028 63.200 -0.598 0.000 1.037 409 S HN 0.468 nan 8.310 nan 0.000 0.520 410 F N 0.409 120.270 119.950 -0.148 0.000 2.551 410 F HA 0.621 5.155 4.527 0.012 0.000 0.316 410 F C -0.149 175.634 175.800 -0.028 0.000 1.089 410 F CA -0.627 57.352 58.000 -0.035 0.000 0.915 410 F CB 2.340 41.349 39.000 0.015 0.000 1.186 410 F HN 0.800 nan 8.300 nan 0.000 0.456 411 D N 1.744 122.259 120.400 0.192 0.000 2.857 411 D HA 0.490 5.138 4.640 0.012 0.000 0.227 411 D C -1.610 174.777 176.300 0.144 0.000 1.192 411 D CA -0.369 53.711 54.000 0.133 0.000 0.857 411 D CB 1.625 42.471 40.800 0.076 0.000 1.645 411 D HN 0.457 nan 8.370 nan 0.000 0.482 412 L N 2.984 124.276 121.223 0.115 0.000 2.313 412 L HA 0.313 4.660 4.340 0.012 0.000 0.282 412 L C 0.386 177.282 176.870 0.043 0.000 1.092 412 L CA -0.331 54.546 54.840 0.062 0.000 0.831 412 L CB 1.156 43.218 42.059 0.005 0.000 1.159 412 L HN 0.501 nan 8.230 nan 0.000 0.442 413 T N 2.371 116.963 114.554 0.063 0.000 2.866 413 T HA -0.079 4.278 4.350 0.012 0.000 0.293 413 T C 0.787 175.490 174.700 0.004 0.000 1.005 413 T CA 0.042 62.192 62.100 0.084 0.000 1.162 413 T CB 0.144 69.119 68.868 0.178 0.000 0.968 413 T HN 0.755 nan 8.240 nan 0.000 0.530 414 S N 2.223 117.945 115.700 0.037 0.000 3.247 414 S HA -0.157 4.320 4.470 0.012 0.000 0.341 414 S C 1.241 175.790 174.600 -0.085 0.000 0.924 414 S CA -0.120 58.075 58.200 -0.009 0.000 1.323 414 S CB -1.037 62.175 63.200 0.020 0.000 0.918 414 S HN 0.658 nan 8.310 nan 0.000 0.523 415 L N 2.678 123.877 121.223 -0.040 0.000 1.944 415 L HA -0.156 4.192 4.340 0.012 0.000 0.218 415 L C 1.928 178.854 176.870 0.093 0.000 1.075 415 L CA 2.200 57.044 54.840 0.006 0.000 0.767 415 L CB -0.774 41.330 42.059 0.075 0.000 0.890 415 L HN 0.629 nan 8.230 nan 0.000 0.434 416 Y N -0.205 120.038 120.300 -0.094 0.000 2.165 416 Y HA -0.104 4.453 4.550 0.012 0.000 0.286 416 Y C -0.094 175.695 175.900 -0.186 0.000 1.155 416 Y CA 1.010 59.043 58.100 -0.111 0.000 1.164 416 Y CB -2.493 35.931 38.460 -0.060 0.000 0.978 416 Y HN 0.340 nan 8.280 nan 0.000 0.513 417 P HA -0.084 nan 4.420 nan 0.000 0.216 417 P C 1.899 179.025 177.300 -0.290 0.000 1.153 417 P CA 2.187 65.190 63.100 -0.162 0.000 0.844 417 P CB 0.038 31.658 31.700 -0.134 0.000 0.787 418 S N -0.394 115.099 115.700 -0.344 0.000 2.370 418 S HA -0.159 4.319 4.470 0.012 0.000 0.226 418 S C 1.895 176.243 174.600 -0.421 0.000 1.033 418 S CA 1.190 59.132 58.200 -0.431 0.000 1.011 418 S CB -1.214 61.715 63.200 -0.453 0.000 0.852 418 S HN 0.122 nan 8.310 nan 0.000 0.457 419 I N 1.101 121.442 120.570 -0.382 0.000 2.208 419 I HA -0.201 3.977 4.170 0.012 0.000 0.245 419 I C 2.089 177.866 176.117 -0.567 0.000 1.097 419 I CA 1.237 62.205 61.300 -0.554 0.000 1.363 419 I CB -0.411 37.304 38.000 -0.475 0.000 1.051 419 I HN 0.237 nan 8.210 nan 0.000 0.413 420 I N 0.410 120.725 120.570 -0.426 0.000 2.264 420 I HA -0.304 3.873 4.170 0.012 0.000 0.248 420 I C 2.690 178.573 176.117 -0.390 0.000 1.111 420 I CA 1.541 62.597 61.300 -0.406 0.000 1.382 420 I CB -0.244 37.565 38.000 -0.319 0.000 1.060 420 I HN 0.167 nan 8.210 nan 0.000 0.418 421 R N -0.215 120.072 120.500 -0.355 0.000 2.080 421 R HA -0.138 4.209 4.340 0.012 0.000 0.222 421 R C 2.258 178.374 176.300 -0.305 0.000 1.107 421 R CA 1.030 56.953 56.100 -0.295 0.000 0.980 421 R CB -0.351 29.785 30.300 -0.273 0.000 0.879 421 R HN 0.336 nan 8.270 nan 0.000 0.439 422 Q N 0.800 120.372 119.800 -0.379 0.000 2.096 422 Q HA -0.134 4.214 4.340 0.012 0.000 0.204 422 Q C 1.616 177.413 176.000 -0.338 0.000 0.982 422 Q CA 1.750 57.339 55.803 -0.357 0.000 0.850 422 Q CB 0.191 28.666 28.738 -0.439 0.000 0.901 422 Q HN 0.158 nan 8.270 nan 0.000 0.422 423 V N 0.441 120.075 119.914 -0.468 0.000 3.174 423 V HA 0.010 4.137 4.120 0.012 0.000 0.254 423 V C 0.464 176.318 176.094 -0.400 0.000 1.120 423 V CA 0.753 62.790 62.300 -0.439 0.000 1.114 423 V CB -0.585 30.867 31.823 -0.618 0.000 0.756 423 V HN 0.690 nan 8.190 nan 0.000 0.467 424 N N 0.052 118.509 118.700 -0.405 0.000 2.814 424 N HA -0.190 4.557 4.740 0.012 0.000 0.247 424 N C -0.543 174.646 175.510 -0.536 0.000 1.089 424 N CA 0.229 53.079 53.050 -0.334 0.000 0.682 424 N CB -1.532 36.867 38.487 -0.148 0.000 0.970 424 N HN 0.525 nan 8.380 nan 0.000 0.554 425 I N 0.496 120.638 120.570 -0.715 0.000 2.396 425 I HA 0.306 4.483 4.170 0.012 0.000 0.289 425 I C 0.709 176.584 176.117 -0.402 0.000 1.056 425 I CA 0.160 60.941 61.300 -0.866 0.000 1.365 425 I CB 1.165 38.705 38.000 -0.766 0.000 1.407 425 I HN 0.271 nan 8.210 nan 0.000 0.509 426 S N 7.017 122.583 115.700 -0.224 0.000 2.565 426 S HA 0.439 4.916 4.470 0.012 0.000 0.269 426 S C -2.107 172.469 174.600 -0.041 0.000 1.153 426 S CA -1.010 57.108 58.200 -0.137 0.000 0.835 426 S CB 1.802 64.919 63.200 -0.138 0.000 1.122 426 S HN 0.324 nan 8.310 nan 0.000 0.462 427 P HA -0.087 nan 4.420 nan 0.000 0.219 427 P C 0.720 178.050 177.300 0.051 0.000 1.146 427 P CA 1.176 64.297 63.100 0.035 0.000 0.808 427 P CB 0.047 31.789 31.700 0.071 0.000 0.779 428 E N -0.055 120.115 120.200 -0.050 0.000 2.498 428 E HA 0.020 4.377 4.350 0.012 0.000 0.203 428 E C 0.760 177.369 176.600 0.016 0.000 1.013 428 E CA 0.541 56.920 56.400 -0.035 0.000 0.927 428 E CB -0.759 28.839 29.700 -0.169 0.000 1.012 428 E HN 0.213 nan 8.360 nan 0.000 0.482 429 T N -1.228 113.296 114.554 -0.049 0.000 3.069 429 T HA 0.342 4.700 4.350 0.012 0.000 0.252 429 T C 1.027 175.434 174.700 -0.488 0.000 1.053 429 T CA -0.448 61.546 62.100 -0.176 0.000 0.964 429 T CB -0.391 68.486 68.868 0.015 0.000 1.005 429 T HN 0.046 nan 8.240 nan 0.000 0.532 430 I N 2.191 122.543 120.570 -0.363 0.000 2.662 430 I HA 0.204 4.381 4.170 0.012 0.000 0.285 430 I C 1.458 177.088 176.117 -0.812 0.000 1.161 430 I CA -0.193 60.783 61.300 -0.540 0.000 1.415 430 I CB 0.752 38.578 38.000 -0.290 0.000 1.385 430 I HN 0.319 nan 8.210 nan 0.000 0.552 431 A N 5.168 127.445 122.820 -0.906 0.000 2.085 431 A HA 0.605 4.932 4.320 0.012 0.000 0.208 431 A C 0.967 178.242 177.584 -0.515 0.000 1.191 431 A CA 0.732 52.270 52.037 -0.832 0.000 0.799 431 A CB 0.308 18.544 19.000 -1.274 0.000 0.877 431 A HN 0.885 nan 8.150 nan 0.000 0.473 432 G N -1.611 106.913 108.800 -0.460 0.000 2.367 432 G HA2 0.463 4.431 3.960 0.012 0.000 0.272 432 G HA3 0.463 4.431 3.960 0.012 0.000 0.272 432 G C -0.560 174.198 174.900 -0.237 0.000 1.271 432 G CA 0.299 45.239 45.100 -0.266 0.000 0.893 432 G HN 1.022 nan 8.290 nan 0.000 0.485 433 T N -1.652 112.826 114.554 -0.128 0.000 2.906 433 T HA 0.819 5.177 4.350 0.012 0.000 0.295 433 T C -0.676 174.037 174.700 0.020 0.000 1.075 433 T CA -0.395 61.627 62.100 -0.131 0.000 1.005 433 T CB 1.995 70.754 68.868 -0.181 0.000 1.136 433 T HN 1.726 nan 8.240 nan 0.000 0.498 434 F N -0.788 119.131 119.950 -0.051 0.000 2.598 434 F HA 0.793 5.327 4.527 0.012 0.000 0.327 434 F C -0.119 175.688 175.800 0.011 0.000 1.057 434 F CA -1.654 56.342 58.000 -0.006 0.000 0.957 434 F CB 1.441 40.446 39.000 0.010 0.000 1.278 434 F HN 0.703 nan 8.300 nan 0.000 0.484 435 K N 1.919 122.446 120.400 0.212 0.000 2.383 435 K HA 0.438 4.765 4.320 0.012 0.000 0.286 435 K C -1.141 175.592 176.600 0.220 0.000 1.051 435 K CA -0.311 56.051 56.287 0.125 0.000 0.974 435 K CB 0.626 33.203 32.500 0.128 0.000 0.968 435 K HN 0.648 nan 8.250 nan 0.000 0.475 436 V N 3.654 123.615 119.914 0.078 0.000 2.539 436 V HA 0.456 4.583 4.120 0.012 0.000 0.292 436 V C 0.222 176.443 176.094 0.212 0.000 1.045 436 V CA -0.721 61.687 62.300 0.181 0.000 0.945 436 V CB 1.302 33.121 31.823 -0.007 0.000 0.993 436 V HN 0.953 nan 8.190 nan 0.000 0.464 437 A N 6.207 129.205 122.820 0.296 0.000 2.282 437 A HA 0.850 5.177 4.320 0.012 0.000 0.319 437 A C -2.610 175.035 177.584 0.101 0.000 1.121 437 A CA -1.902 50.162 52.037 0.045 0.000 0.836 437 A CB 0.524 19.342 19.000 -0.304 0.000 1.146 437 A HN 0.677 nan 8.150 nan 0.000 0.494 438 P HA 0.043 nan 4.420 nan 0.000 0.266 438 P C 0.996 178.389 177.300 0.155 0.000 1.195 438 P CA -0.283 62.880 63.100 0.104 0.000 0.768 438 P CB 0.428 32.177 31.700 0.081 0.000 0.838 439 L N 4.286 125.638 121.223 0.215 0.000 2.089 439 L HA -0.248 4.099 4.340 0.012 0.000 0.213 439 L C 2.243 179.249 176.870 0.227 0.000 1.079 439 L CA 2.175 57.176 54.840 0.268 0.000 0.758 439 L CB -1.469 40.694 42.059 0.173 0.000 0.891 439 L HN 0.564 nan 8.230 nan 0.000 0.433 440 H N -1.167 117.943 119.070 0.068 0.000 2.390 440 H HA -0.194 4.370 4.556 0.012 0.000 0.298 440 H C 1.752 177.097 175.328 0.028 0.000 1.106 440 H CA 2.210 58.276 56.048 0.030 0.000 1.297 440 H CB -0.180 29.586 29.762 0.006 0.000 1.375 440 H HN 0.430 nan 8.280 nan 0.000 0.509 441 D N -0.292 120.078 120.400 -0.051 0.000 2.144 441 D HA -0.147 4.500 4.640 0.012 0.000 0.199 441 D C 1.685 177.915 176.300 -0.118 0.000 0.984 441 D CA 1.238 55.131 54.000 -0.178 0.000 0.834 441 D CB -0.402 40.272 40.800 -0.210 0.000 0.955 441 D HN 0.525 nan 8.370 nan 0.000 0.465 442 Y N 0.567 120.952 120.300 0.142 0.000 2.263 442 Y HA 0.042 4.599 4.550 0.012 0.000 0.292 442 Y C 2.340 178.461 175.900 0.369 0.000 1.130 442 Y CA 0.223 58.492 58.100 0.282 0.000 1.179 442 Y CB -0.447 38.078 38.460 0.109 0.000 0.998 442 Y HN -0.040 nan 8.280 nan 0.000 0.532 443 I N 0.155 120.906 120.570 0.301 0.000 2.179 443 I HA -0.321 3.857 4.170 0.012 0.000 0.242 443 I C 1.288 177.410 176.117 0.008 0.000 1.088 443 I CA 1.501 62.929 61.300 0.214 0.000 1.357 443 I CB -0.329 37.688 38.000 0.028 0.000 1.051 443 I HN 0.241 nan 8.210 nan 0.000 0.409 444 N N 1.151 119.753 118.700 -0.163 0.000 2.313 444 N HA 0.197 4.945 4.740 0.012 0.000 0.207 444 N C 0.604 175.983 175.510 -0.218 0.000 1.141 444 N CA 0.750 53.632 53.050 -0.280 0.000 0.830 444 N CB 0.573 38.827 38.487 -0.389 0.000 1.008 444 N HN 0.294 nan 8.380 nan 0.000 0.481 445 A N 0.236 123.027 122.820 -0.047 0.000 2.745 445 A HA -0.185 4.142 4.320 0.012 0.000 0.296 445 A C 1.175 178.665 177.584 -0.156 0.000 1.500 445 A CA 1.127 53.098 52.037 -0.110 0.000 0.766 445 A CB -2.108 16.714 19.000 -0.297 0.000 1.030 445 A HN 0.312 nan 8.150 nan 0.000 0.489 446 V N -4.712 115.162 119.914 -0.066 0.000 3.548 446 V HA 0.720 4.847 4.120 0.012 0.000 0.279 446 V C 1.037 177.115 176.094 -0.026 0.000 1.446 446 V CA 0.742 63.001 62.300 -0.068 0.000 1.023 446 V CB -0.352 31.422 31.823 -0.082 0.000 0.820 446 V HN 2.015 nan 8.190 nan 0.000 0.438 447 A N 0.995 123.811 122.820 -0.007 0.000 2.386 447 A HA 0.407 4.734 4.320 0.012 0.000 0.248 447 A C 0.374 178.045 177.584 0.145 0.000 1.082 447 A CA -0.097 51.910 52.037 -0.050 0.000 0.789 447 A CB 0.116 18.821 19.000 -0.490 0.000 1.025 447 A HN 0.603 nan 8.150 nan 0.000 0.490 448 E N 0.614 120.872 120.200 0.096 0.000 2.608 448 E HA -0.038 4.319 4.350 0.012 0.000 0.259 448 E C 0.380 177.110 176.600 0.216 0.000 0.951 448 E CA 0.051 56.533 56.400 0.137 0.000 0.945 448 E CB 0.295 30.050 29.700 0.092 0.000 0.916 448 E HN 0.522 nan 8.360 nan 0.000 0.477 449 R N 5.343 125.973 120.500 0.217 0.000 2.458 449 R HA -0.000 4.347 4.340 0.012 0.000 0.303 449 R C -1.717 174.542 176.300 -0.069 0.000 1.013 449 R CA -0.911 55.285 56.100 0.160 0.000 1.026 449 R CB 0.466 30.865 30.300 0.165 0.000 0.948 449 R HN 0.445 nan 8.270 nan 0.000 0.417 450 P HA -0.134 nan 4.420 nan 0.000 0.215 450 P C -0.303 176.698 177.300 -0.499 0.000 1.157 450 P CA 1.104 63.742 63.100 -0.770 0.000 0.874 450 P CB 0.269 31.081 31.700 -1.480 0.000 0.790 451 S N -2.610 112.907 115.700 -0.305 0.000 2.537 451 S HA 0.284 4.761 4.470 0.012 0.000 0.271 451 S C -0.687 173.856 174.600 -0.095 0.000 1.148 451 S CA -0.650 57.464 58.200 -0.143 0.000 0.868 451 S CB 0.836 63.992 63.200 -0.073 0.000 1.115 451 S HN -0.252 nan 8.310 nan 0.000 0.461 452 D N 2.323 122.674 120.400 -0.082 0.000 2.349 452 D HA 0.264 4.911 4.640 0.012 0.000 0.214 452 D C 1.210 177.431 176.300 -0.131 0.000 1.063 452 D CA 0.548 54.500 54.000 -0.081 0.000 0.847 452 D CB 0.798 41.561 40.800 -0.063 0.000 0.933 452 D HN 0.276 nan 8.370 nan 0.000 0.513 453 V N -0.730 119.056 119.914 -0.214 0.000 3.159 453 V HA 0.143 4.270 4.120 0.012 0.000 0.234 453 V C -0.257 175.582 176.094 -0.426 0.000 1.313 453 V CA 0.207 62.251 62.300 -0.427 0.000 1.271 453 V CB 0.526 31.900 31.823 -0.748 0.000 1.053 453 V HN -0.109 nan 8.190 nan 0.000 0.476 454 Y N 0.191 120.503 120.300 0.019 0.000 2.549 454 Y HA 0.663 5.220 4.550 0.012 0.000 0.339 454 Y C 0.515 176.428 175.900 0.021 0.000 1.053 454 Y CA -1.316 56.811 58.100 0.045 0.000 1.105 454 Y CB 1.497 39.987 38.460 0.050 0.000 1.258 454 Y HN -0.036 nan 8.280 nan 0.000 0.478 455 S N 1.054 116.904 115.700 0.250 0.000 2.489 455 S HA 0.535 5.012 4.470 0.012 0.000 0.277 455 S C -0.761 173.957 174.600 0.196 0.000 1.230 455 S CA -0.371 57.919 58.200 0.150 0.000 1.053 455 S CB -0.452 62.814 63.200 0.110 0.000 0.955 455 S HN 0.664 nan 8.310 nan 0.000 0.488 456 C N 3.699 123.066 119.300 0.112 0.000 2.562 456 C HA 0.872 5.339 4.460 0.012 0.000 0.332 456 C C 0.072 175.187 174.990 0.208 0.000 1.201 456 C CA -0.862 58.246 59.018 0.150 0.000 1.803 456 C CB 1.339 29.011 27.740 -0.113 0.000 2.328 456 C HN 0.961 nan 8.230 nan 0.000 0.500 457 S N 1.254 117.134 115.700 0.300 0.000 2.513 457 S HA 0.490 4.967 4.470 0.012 0.000 0.299 457 S C -2.239 172.454 174.600 0.155 0.000 1.087 457 S CA -1.066 57.297 58.200 0.272 0.000 1.012 457 S CB 1.666 65.007 63.200 0.236 0.000 1.044 457 S HN 0.636 nan 8.310 nan 0.000 0.485 458 P HA -0.093 nan 4.420 nan 0.000 0.236 458 P C 0.594 177.824 177.300 -0.118 0.000 1.172 458 P CA 0.771 63.725 63.100 -0.244 0.000 0.759 458 P CB -0.255 31.248 31.700 -0.328 0.000 0.843 459 N N -0.290 118.364 118.700 -0.078 0.000 2.398 459 N HA -0.001 4.747 4.740 0.012 0.000 0.188 459 N C 1.292 176.633 175.510 -0.281 0.000 1.122 459 N CA 1.035 54.017 53.050 -0.115 0.000 0.866 459 N CB -0.520 37.931 38.487 -0.060 0.000 0.970 459 N HN 0.199 nan 8.380 nan 0.000 0.462 460 G N -0.536 107.938 108.800 -0.543 0.000 2.192 460 G HA2 -0.159 3.808 3.960 0.012 0.000 0.193 460 G HA3 -0.159 3.808 3.960 0.012 0.000 0.193 460 G C -0.171 174.258 174.900 -0.786 0.000 0.999 460 G CA -0.123 44.303 45.100 -1.123 0.000 0.659 460 G HN 0.178 nan 8.290 nan 0.000 0.503 461 M N 0.936 120.368 119.600 -0.280 0.000 2.314 461 M HA 0.693 5.181 4.480 0.012 0.000 0.342 461 M C 0.437 176.667 176.300 -0.116 0.000 1.171 461 M CA 0.087 55.239 55.300 -0.245 0.000 1.098 461 M CB 1.104 33.547 32.600 -0.262 0.000 1.559 461 M HN 0.172 nan 8.290 nan 0.000 0.459 462 M N 2.304 121.673 119.600 -0.385 0.000 2.465 462 M HA 0.506 4.993 4.480 0.012 0.000 0.316 462 M C -1.639 174.238 176.300 -0.705 0.000 1.121 462 M CA -0.552 54.591 55.300 -0.262 0.000 0.934 462 M CB 2.178 34.748 32.600 -0.050 0.000 1.692 462 M HN 0.464 nan 8.290 nan 0.000 0.444 463 Y N 0.058 120.282 120.300 -0.127 0.000 2.536 463 Y HA 0.488 5.045 4.550 0.012 0.000 0.347 463 Y C -0.499 175.387 175.900 -0.023 0.000 1.000 463 Y CA -0.883 57.084 58.100 -0.221 0.000 1.051 463 Y CB 1.319 39.682 38.460 -0.162 0.000 1.259 463 Y HN 0.481 nan 8.280 nan 0.000 0.468 464 Y N 1.159 121.530 120.300 0.117 0.000 2.511 464 Y HA 0.036 4.593 4.550 0.012 0.000 0.347 464 Y C 0.985 176.989 175.900 0.175 0.000 1.257 464 Y CA -0.013 58.200 58.100 0.188 0.000 1.469 464 Y CB 0.691 39.214 38.460 0.105 0.000 1.353 464 Y HN 0.554 nan 8.280 nan 0.000 0.617 465 K N 0.223 120.826 120.400 0.338 0.000 2.438 465 K HA -0.025 4.302 4.320 0.012 0.000 0.206 465 K C 0.780 177.444 176.600 0.105 0.000 1.081 465 K CA 0.268 56.658 56.287 0.172 0.000 1.053 465 K CB 0.363 32.939 32.500 0.128 0.000 0.908 465 K HN 0.691 nan 8.250 nan 0.000 0.556 466 D N 2.188 122.650 120.400 0.103 0.000 2.097 466 D HA -0.155 4.492 4.640 0.012 0.000 0.197 466 D C 0.608 176.929 176.300 0.035 0.000 0.984 466 D CA 1.048 55.072 54.000 0.040 0.000 0.826 466 D CB 0.081 40.880 40.800 -0.003 0.000 0.973 466 D HN 0.184 nan 8.370 nan 0.000 0.460 467 R N -0.062 120.471 120.500 0.055 0.000 2.744 467 R HA 0.419 4.767 4.340 0.012 0.000 0.279 467 R C -1.206 175.120 176.300 0.043 0.000 0.977 467 R CA -0.867 55.255 56.100 0.038 0.000 0.906 467 R CB 1.198 31.514 30.300 0.026 0.000 1.197 467 R HN -0.302 nan 8.270 nan 0.000 0.463 468 D N 1.706 122.116 120.400 0.016 0.000 2.425 468 D HA 0.112 4.759 4.640 0.012 0.000 0.247 468 D C 0.537 176.831 176.300 -0.010 0.000 1.147 468 D CA 0.664 54.660 54.000 -0.006 0.000 0.879 468 D CB 1.210 42.002 40.800 -0.014 0.000 1.179 468 D HN 0.677 nan 8.370 nan 0.000 0.456 469 G N 0.803 109.583 108.800 -0.034 0.000 2.667 469 G HA2 0.090 4.057 3.960 0.012 0.000 0.250 469 G HA3 0.090 4.057 3.960 0.012 0.000 0.250 469 G C 1.213 176.073 174.900 -0.067 0.000 1.212 469 G CA -0.604 44.464 45.100 -0.053 0.000 0.874 469 G HN 0.383 nan 8.290 nan 0.000 0.561 470 V N 1.069 120.932 119.914 -0.085 0.000 2.548 470 V HA -0.116 4.011 4.120 0.012 0.000 0.249 470 V C 2.770 178.812 176.094 -0.087 0.000 1.055 470 V CA 1.804 64.059 62.300 -0.076 0.000 1.065 470 V CB -0.272 31.493 31.823 -0.097 0.000 0.681 470 V HN 0.455 nan 8.190 nan 0.000 0.462 471 V N 0.831 120.656 119.914 -0.149 0.000 2.270 471 V HA -0.104 4.023 4.120 0.012 0.000 0.245 471 V C 0.231 176.231 176.094 -0.158 0.000 1.043 471 V CA 2.680 64.870 62.300 -0.183 0.000 1.014 471 V CB -1.790 29.895 31.823 -0.230 0.000 0.645 471 V HN 0.495 nan 8.190 nan 0.000 0.447 472 P HA -0.136 nan 4.420 nan 0.000 0.216 472 P C 1.834 179.101 177.300 -0.055 0.000 1.153 472 P CA 1.879 64.900 63.100 -0.131 0.000 0.858 472 P CB -0.213 31.403 31.700 -0.141 0.000 0.789 473 T N -0.324 114.215 114.554 -0.025 0.000 2.708 473 T HA -0.134 4.223 4.350 0.012 0.000 0.266 473 T C 1.591 176.342 174.700 0.085 0.000 1.037 473 T CA 1.255 63.370 62.100 0.025 0.000 1.146 473 T CB -0.632 68.250 68.868 0.023 0.000 0.865 473 T HN 0.172 nan 8.240 nan 0.000 0.435 474 E N 0.635 120.902 120.200 0.111 0.000 2.107 474 E HA 0.073 4.430 4.350 0.012 0.000 0.191 474 E C 2.184 178.978 176.600 0.324 0.000 0.982 474 E CA 0.426 56.972 56.400 0.244 0.000 0.809 474 E CB -0.369 29.522 29.700 0.318 0.000 0.756 474 E HN 0.458 nan 8.360 nan 0.000 0.459 475 I N 1.178 121.851 120.570 0.172 0.000 2.493 475 I HA -0.217 3.961 4.170 0.012 0.000 0.254 475 I C 1.786 178.024 176.117 0.202 0.000 1.160 475 I CA 1.027 62.425 61.300 0.163 0.000 1.445 475 I CB 0.064 38.007 38.000 -0.094 0.000 1.086 475 I HN 0.035 nan 8.210 nan 0.000 0.433 476 T N 0.674 115.318 114.554 0.150 0.000 2.746 476 T HA -0.195 4.162 4.350 0.012 0.000 0.267 476 T C 1.842 176.689 174.700 0.245 0.000 1.039 476 T CA 1.328 63.545 62.100 0.195 0.000 1.142 476 T CB -0.130 68.810 68.868 0.121 0.000 0.866 476 T HN 0.327 nan 8.240 nan 0.000 0.444 477 K N 0.543 121.071 120.400 0.213 0.000 2.020 477 K HA -0.092 4.235 4.320 0.012 0.000 0.212 477 K C 2.332 179.014 176.600 0.138 0.000 1.050 477 K CA 1.293 57.696 56.287 0.193 0.000 0.929 477 K CB -0.540 32.121 32.500 0.269 0.000 0.714 477 K HN 0.142 nan 8.250 nan 0.000 0.443 478 V N 1.074 121.103 119.914 0.191 0.000 2.427 478 V HA -0.225 3.902 4.120 0.012 0.000 0.248 478 V C 1.971 178.133 176.094 0.112 0.000 1.051 478 V CA 1.588 63.943 62.300 0.092 0.000 1.048 478 V CB -0.579 31.351 31.823 0.179 0.000 0.666 478 V HN 0.248 nan 8.190 nan 0.000 0.456 479 F N 2.363 122.352 119.950 0.065 0.000 2.091 479 F HA -0.228 4.306 4.527 0.012 0.000 0.299 479 F C 2.281 178.085 175.800 0.006 0.000 1.103 479 F CA 2.039 60.059 58.000 0.034 0.000 1.228 479 F CB -0.534 38.483 39.000 0.028 0.000 0.984 479 F HN 0.195 nan 8.300 nan 0.000 0.477 480 N N 0.615 119.172 118.700 -0.238 0.000 2.104 480 N HA -0.202 4.545 4.740 0.012 0.000 0.190 480 N C 1.846 177.178 175.510 -0.296 0.000 1.024 480 N CA 1.765 54.611 53.050 -0.340 0.000 0.853 480 N CB -0.703 37.722 38.487 -0.103 0.000 1.008 480 N HN 0.544 nan 8.380 nan 0.000 0.424 481 Q N 0.397 120.090 119.800 -0.178 0.000 2.061 481 Q HA -0.102 4.246 4.340 0.012 0.000 0.204 481 Q C 2.184 178.114 176.000 -0.118 0.000 0.984 481 Q CA 1.049 56.770 55.803 -0.136 0.000 0.846 481 Q CB -0.121 28.558 28.738 -0.099 0.000 0.902 481 Q HN 0.250 nan 8.270 nan 0.000 0.421 482 R N 1.438 121.859 120.500 -0.132 0.000 2.105 482 R HA -0.157 4.191 4.340 0.012 0.000 0.239 482 R C 1.879 178.051 176.300 -0.213 0.000 1.135 482 R CA 1.463 57.500 56.100 -0.105 0.000 0.967 482 R CB -0.120 30.145 30.300 -0.059 0.000 0.861 482 R HN 0.139 nan 8.270 nan 0.000 0.442 483 K N 0.397 120.548 120.400 -0.415 0.000 2.211 483 K HA -0.146 4.181 4.320 0.012 0.000 0.203 483 K C 1.920 178.292 176.600 -0.380 0.000 1.050 483 K CA 1.171 57.202 56.287 -0.426 0.000 0.945 483 K CB 0.033 32.168 32.500 -0.610 0.000 0.732 483 K HN 0.278 nan 8.250 nan 0.000 0.451 484 E N -0.144 119.795 120.200 -0.434 0.000 2.028 484 E HA -0.192 4.165 4.350 0.012 0.000 0.190 484 E C 1.722 177.776 176.600 -0.910 0.000 0.984 484 E CA 0.936 56.951 56.400 -0.642 0.000 0.800 484 E CB 0.056 29.384 29.700 -0.620 0.000 0.758 484 E HN 0.415 nan 8.360 nan 0.000 0.448 485 H N 0.318 119.121 119.070 -0.445 0.000 2.423 485 H HA -0.034 4.529 4.556 0.012 0.000 0.297 485 H C 2.058 177.257 175.328 -0.214 0.000 1.075 485 H CA 1.060 56.955 56.048 -0.255 0.000 1.342 485 H CB 0.065 29.785 29.762 -0.072 0.000 1.395 485 H HN 0.140 nan 8.280 nan 0.000 0.530 486 K N 0.607 120.932 120.400 -0.126 0.000 2.148 486 K HA -0.078 4.249 4.320 0.012 0.000 0.204 486 K C 2.348 178.856 176.600 -0.153 0.000 1.050 486 K CA 0.819 57.043 56.287 -0.106 0.000 0.942 486 K CB -0.073 32.368 32.500 -0.098 0.000 0.724 486 K HN 0.247 nan 8.250 nan 0.000 0.446 487 G N 0.408 109.039 108.800 -0.281 0.000 2.446 487 G HA2 -0.261 3.707 3.960 0.012 0.000 0.217 487 G HA3 -0.261 3.707 3.960 0.012 0.000 0.217 487 G C 1.137 175.919 174.900 -0.196 0.000 1.168 487 G CA 0.909 45.844 45.100 -0.274 0.000 0.771 487 G HN 0.240 nan 8.290 nan 0.000 0.551 488 Y N -0.021 120.170 120.300 -0.182 0.000 2.145 488 Y HA -0.035 4.522 4.550 0.012 0.000 0.286 488 Y C 2.870 178.674 175.900 -0.160 0.000 1.145 488 Y CA 0.848 58.806 58.100 -0.236 0.000 1.148 488 Y CB -0.955 37.377 38.460 -0.214 0.000 0.981 488 Y HN 0.147 nan 8.280 nan 0.000 0.507 489 M N -0.425 119.204 119.600 0.048 0.000 2.065 489 M HA -0.235 4.252 4.480 0.012 0.000 0.259 489 M C 1.976 178.258 176.300 -0.029 0.000 1.069 489 M CA 1.901 57.203 55.300 0.004 0.000 1.110 489 M CB -0.466 32.133 32.600 -0.001 0.000 1.328 489 M HN 0.323 nan 8.290 nan 0.000 0.405 490 L N -0.100 121.096 121.223 -0.045 0.000 2.131 490 L HA -0.153 4.195 4.340 0.012 0.000 0.210 490 L C 2.717 179.546 176.870 -0.069 0.000 1.092 490 L CA 1.065 55.872 54.840 -0.054 0.000 0.759 490 L CB -0.910 41.114 42.059 -0.059 0.000 0.903 490 L HN 0.398 nan 8.230 nan 0.000 0.435 491 A N 0.048 122.824 122.820 -0.074 0.000 1.898 491 A HA -0.108 4.220 4.320 0.012 0.000 0.216 491 A C 2.538 180.040 177.584 -0.137 0.000 1.181 491 A CA 1.520 53.496 52.037 -0.100 0.000 0.620 491 A CB -0.650 18.292 19.000 -0.097 0.000 0.819 491 A HN 0.369 nan 8.150 nan 0.000 0.442 492 A N -0.927 121.831 122.820 -0.103 0.000 1.972 492 A HA -0.202 4.126 4.320 0.012 0.000 0.219 492 A C 2.145 179.678 177.584 -0.085 0.000 1.169 492 A CA 1.789 53.773 52.037 -0.089 0.000 0.635 492 A CB -0.509 18.455 19.000 -0.061 0.000 0.810 492 A HN 0.655 nan 8.150 nan 0.000 0.446 493 Q N -0.540 119.218 119.800 -0.069 0.000 2.020 493 Q HA -0.172 4.175 4.340 0.012 0.000 0.202 493 Q C 2.393 178.359 176.000 -0.056 0.000 0.982 493 Q CA 1.609 57.385 55.803 -0.045 0.000 0.838 493 Q CB -0.096 28.624 28.738 -0.031 0.000 0.899 493 Q HN 0.668 nan 8.270 nan 0.000 0.423 494 R N 0.124 120.571 120.500 -0.088 0.000 2.083 494 R HA -0.127 4.221 4.340 0.012 0.000 0.237 494 R C 2.071 178.312 176.300 -0.097 0.000 1.137 494 R CA 1.437 57.482 56.100 -0.091 0.000 0.951 494 R CB -0.427 29.814 30.300 -0.098 0.000 0.851 494 R HN 0.326 nan 8.270 nan 0.000 0.434 495 N N 0.315 118.889 118.700 -0.210 0.000 2.094 495 N HA -0.148 4.599 4.740 0.012 0.000 0.191 495 N C 1.872 177.375 175.510 -0.011 0.000 1.023 495 N CA 1.697 54.545 53.050 -0.336 0.000 0.857 495 N CB -0.789 37.235 38.487 -0.771 0.000 1.013 495 N HN 0.382 nan 8.380 nan 0.000 0.426 496 G N 1.281 110.078 108.800 -0.005 0.000 2.450 496 G HA2 -0.226 3.741 3.960 0.012 0.000 0.220 496 G HA3 -0.226 3.741 3.960 0.012 0.000 0.220 496 G C 1.433 176.372 174.900 0.064 0.000 1.130 496 G CA 0.640 45.766 45.100 0.043 0.000 0.760 496 G HN 0.269 nan 8.290 nan 0.000 0.557 497 E N 0.281 120.513 120.200 0.052 0.000 2.216 497 E HA 0.023 4.380 4.350 0.012 0.000 0.192 497 E C 2.589 179.241 176.600 0.085 0.000 0.988 497 E CA 0.246 56.689 56.400 0.071 0.000 0.834 497 E CB -0.059 29.675 29.700 0.057 0.000 0.772 497 E HN 0.580 nan 8.360 nan 0.000 0.479 498 I N 0.604 121.238 120.570 0.106 0.000 2.353 498 I HA -0.191 3.987 4.170 0.012 0.000 0.248 498 I C 2.320 178.522 176.117 0.141 0.000 1.119 498 I CA 0.760 62.145 61.300 0.142 0.000 1.417 498 I CB -0.269 37.862 38.000 0.218 0.000 1.078 498 I HN -0.007 nan 8.210 nan 0.000 0.421 499 I N 0.912 121.583 120.570 0.168 0.000 2.252 499 I HA -0.256 3.921 4.170 0.012 0.000 0.245 499 I C 2.503 178.642 176.117 0.036 0.000 1.102 499 I CA 1.461 62.839 61.300 0.129 0.000 1.385 499 I CB -0.415 37.691 38.000 0.176 0.000 1.064 499 I HN 0.130 nan 8.210 nan 0.000 0.414 500 K N 0.503 120.913 120.400 0.017 0.000 2.103 500 K HA -0.196 4.131 4.320 0.012 0.000 0.207 500 K C 2.099 178.572 176.600 -0.211 0.000 1.048 500 K CA 1.249 57.493 56.287 -0.071 0.000 0.930 500 K CB -0.107 32.386 32.500 -0.012 0.000 0.716 500 K HN 0.282 nan 8.250 nan 0.000 0.444 501 E N 0.486 120.652 120.200 -0.056 0.000 2.031 501 E HA -0.167 4.190 4.350 0.012 0.000 0.193 501 E C 2.034 178.620 176.600 -0.024 0.000 0.994 501 E CA 1.261 57.677 56.400 0.028 0.000 0.800 501 E CB -0.199 29.577 29.700 0.126 0.000 0.752 501 E HN 0.307 nan 8.360 nan 0.000 0.447 502 A N 0.836 123.653 122.820 -0.005 0.000 2.125 502 A HA -0.100 4.227 4.320 0.012 0.000 0.219 502 A C 2.246 179.811 177.584 -0.032 0.000 1.156 502 A CA 0.730 52.773 52.037 0.009 0.000 0.671 502 A CB -0.540 18.475 19.000 0.024 0.000 0.794 502 A HN 0.159 nan 8.150 nan 0.000 0.459 503 L N -1.054 120.092 121.223 -0.128 0.000 2.376 503 L HA -0.099 4.248 4.340 0.012 0.000 0.219 503 L C 2.149 178.954 176.870 -0.108 0.000 1.133 503 L CA 0.497 55.260 54.840 -0.129 0.000 0.816 503 L CB -0.453 41.514 42.059 -0.154 0.000 0.933 503 L HN 0.445 nan 8.230 nan 0.000 0.449 504 H N -0.258 118.836 119.070 0.039 0.000 2.457 504 H HA 0.005 4.568 4.556 0.012 0.000 0.294 504 H C 0.358 175.704 175.328 0.030 0.000 1.064 504 H CA 0.842 56.911 56.048 0.035 0.000 1.330 504 H CB -0.167 29.619 29.762 0.040 0.000 1.395 504 H HN 0.407 nan 8.280 nan 0.000 0.541 505 N N 1.332 120.104 118.700 0.121 0.000 2.752 505 N HA 0.136 4.883 4.740 0.012 0.000 0.260 505 N C -2.812 172.724 175.510 0.044 0.000 1.562 505 N CA -0.976 52.120 53.050 0.076 0.000 0.788 505 N CB 1.855 40.386 38.487 0.074 0.000 1.192 505 N HN 0.081 nan 8.380 nan 0.000 0.503 506 P HA 0.173 nan 4.420 nan 0.000 0.282 506 P C -0.650 176.661 177.300 0.018 0.000 1.262 506 P CA -0.300 62.812 63.100 0.019 0.000 0.773 506 P CB 0.732 32.440 31.700 0.014 0.000 0.879 507 N N 2.191 120.899 118.700 0.014 0.000 2.441 507 N HA 0.073 4.820 4.740 0.012 0.000 0.251 507 N C -0.033 175.483 175.510 0.009 0.000 1.242 507 N CA 0.208 53.264 53.050 0.011 0.000 0.898 507 N CB -0.004 38.487 38.487 0.007 0.000 1.100 507 N HN 0.376 nan 8.380 nan 0.000 0.443 508 L N 1.712 122.940 121.223 0.008 0.000 2.315 508 L HA 0.360 4.707 4.340 0.012 0.000 0.278 508 L C -0.342 176.530 176.870 0.004 0.000 1.088 508 L CA -0.368 54.476 54.840 0.006 0.000 0.899 508 L CB -0.486 41.578 42.059 0.007 0.000 1.277 508 L HN 0.614 nan 8.230 nan 0.000 0.431 509 S N 0.852 116.554 115.700 0.003 0.000 2.542 509 S HA 0.448 4.925 4.470 0.012 0.000 0.276 509 S C -0.795 173.805 174.600 0.000 0.000 1.148 509 S CA -0.939 57.262 58.200 0.001 0.000 0.886 509 S CB 1.613 64.814 63.200 0.000 0.000 1.109 509 S HN -0.031 nan 8.310 nan 0.000 0.458 510 V N 3.304 123.217 119.914 -0.000 0.000 2.405 510 V HA 0.504 4.632 4.120 0.012 0.000 0.264 510 V C -0.250 175.843 176.094 -0.001 0.000 1.048 510 V CA 0.284 62.584 62.300 -0.001 0.000 0.966 510 V CB -0.221 31.602 31.823 -0.001 0.000 1.015 510 V HN 1.053 nan 8.190 nan 0.000 0.477 511 D N 3.885 124.284 120.400 -0.001 0.000 2.895 511 D HA 0.626 5.274 4.640 0.012 0.000 0.320 511 D C -0.815 175.486 176.300 0.002 0.000 1.249 511 D CA -0.827 53.173 54.000 -0.001 0.000 0.997 511 D CB 1.247 42.045 40.800 -0.003 0.000 1.430 511 D HN 0.269 nan 8.370 nan 0.000 0.558 512 E N -0.743 119.459 120.200 0.003 0.000 2.369 512 E HA 0.432 4.789 4.350 0.012 0.000 0.270 512 E C -2.451 174.157 176.600 0.013 0.000 0.909 512 E CA -1.849 54.557 56.400 0.009 0.000 0.775 512 E CB 1.709 31.415 29.700 0.010 0.000 1.270 512 E HN 0.333 nan 8.360 nan 0.000 0.445 513 P HA 0.089 nan 4.420 nan 0.000 0.268 513 P C -0.245 177.075 177.300 0.033 0.000 1.205 513 P CA -0.435 62.694 63.100 0.048 0.000 0.771 513 P CB 0.463 32.215 31.700 0.087 0.000 0.858 514 L N 3.127 124.354 121.223 0.007 0.000 2.455 514 L HA 0.073 4.420 4.340 0.012 0.000 0.272 514 L C 0.997 177.855 176.870 -0.020 0.000 1.174 514 L CA 0.490 55.307 54.840 -0.038 0.000 0.869 514 L CB -0.731 41.255 42.059 -0.122 0.000 1.130 514 L HN 0.379 nan 8.230 nan 0.000 0.474 515 D N 3.206 123.594 120.400 -0.020 0.000 2.367 515 D HA 0.338 4.985 4.640 0.012 0.000 0.255 515 D C -0.591 175.674 176.300 -0.058 0.000 1.300 515 D CA 0.013 54.009 54.000 -0.006 0.000 0.959 515 D CB 0.242 41.045 40.800 0.004 0.000 1.064 515 D HN 0.267 nan 8.370 nan 0.000 0.509 516 V N 0.833 120.678 119.914 -0.114 0.000 3.078 516 V HA 0.550 4.677 4.120 0.012 0.000 0.311 516 V C -0.589 175.379 176.094 -0.211 0.000 1.138 516 V CA -1.167 61.013 62.300 -0.200 0.000 1.007 516 V CB 2.068 33.685 31.823 -0.344 0.000 1.045 516 V HN 0.237 nan 8.190 nan 0.000 0.432 517 D N 0.858 121.215 120.400 -0.072 0.000 2.396 517 D HA 0.391 5.039 4.640 0.012 0.000 0.225 517 D C 0.126 176.433 176.300 0.012 0.000 1.121 517 D CA -0.210 53.810 54.000 0.035 0.000 0.853 517 D CB 0.981 41.891 40.800 0.184 0.000 1.043 517 D HN 0.588 nan 8.370 nan 0.000 0.500 518 Y N 2.194 122.536 120.300 0.070 0.000 2.583 518 Y HA 0.067 4.625 4.550 0.012 0.000 0.293 518 Y C 2.111 177.896 175.900 -0.191 0.000 1.157 518 Y CA 0.253 58.331 58.100 -0.038 0.000 1.315 518 Y CB 0.041 38.486 38.460 -0.027 0.000 1.021 518 Y HN 0.283 nan 8.280 nan 0.000 0.536 519 R N -0.530 119.866 120.500 -0.173 0.000 2.280 519 R HA 0.000 4.347 4.340 0.012 0.000 0.207 519 R C -0.687 175.161 176.300 -0.753 0.000 1.043 519 R CA 0.590 56.368 56.100 -0.537 0.000 1.006 519 R CB -0.083 29.592 30.300 -1.041 0.000 0.885 519 R HN 0.140 nan 8.270 nan 0.000 0.467 520 F N 0.152 120.095 119.950 -0.012 0.000 2.546 520 F HA 0.240 4.774 4.527 0.012 0.000 0.320 520 F C 0.317 176.066 175.800 -0.085 0.000 1.076 520 F CA -1.596 56.399 58.000 -0.008 0.000 0.928 520 F CB 0.941 39.950 39.000 0.014 0.000 1.189 520 F HN -0.259 nan 8.300 nan 0.000 0.465 521 D N 1.780 122.241 120.400 0.101 0.000 2.488 521 D HA -0.002 4.645 4.640 0.012 0.000 0.238 521 D C -0.174 176.180 176.300 0.090 0.000 1.138 521 D CA 0.525 54.517 54.000 -0.014 0.000 0.873 521 D CB 0.486 41.302 40.800 0.026 0.000 1.183 521 D HN 0.076 nan 8.370 nan 0.000 0.458 522 F N 1.319 121.296 119.950 0.046 0.000 2.578 522 F HA -0.038 4.496 4.527 0.012 0.000 0.376 522 F C 1.629 177.439 175.800 0.016 0.000 1.085 522 F CA -0.821 57.190 58.000 0.018 0.000 1.260 522 F CB -0.116 38.890 39.000 0.010 0.000 1.095 522 F HN 0.064 nan 8.300 nan 0.000 0.573 523 S N 1.799 117.628 115.700 0.214 0.000 2.589 523 S HA 0.066 4.543 4.470 0.012 0.000 0.265 523 S C 0.905 175.552 174.600 0.077 0.000 1.342 523 S CA -0.725 57.535 58.200 0.102 0.000 1.005 523 S CB 0.789 64.019 63.200 0.050 0.000 0.909 523 S HN 0.566 nan 8.310 nan 0.000 0.555 524 D N 0.662 121.091 120.400 0.048 0.000 2.182 524 D HA -0.145 4.502 4.640 0.012 0.000 0.201 524 D C 1.716 178.021 176.300 0.008 0.000 0.986 524 D CA 1.536 55.555 54.000 0.033 0.000 0.847 524 D CB -0.339 40.475 40.800 0.024 0.000 0.942 524 D HN 0.878 nan 8.370 nan 0.000 0.467 525 E N 0.575 120.773 120.200 -0.004 0.000 2.058 525 E HA -0.167 4.190 4.350 0.012 0.000 0.194 525 E C 2.290 178.855 176.600 -0.058 0.000 0.997 525 E CA 0.743 57.127 56.400 -0.026 0.000 0.801 525 E CB -0.091 29.593 29.700 -0.026 0.000 0.746 525 E HN 0.223 nan 8.360 nan 0.000 0.450 526 I N 0.784 121.303 120.570 -0.086 0.000 2.252 526 I HA -0.256 3.921 4.170 0.012 0.000 0.245 526 I C 2.588 178.582 176.117 -0.205 0.000 1.102 526 I CA 1.099 62.278 61.300 -0.200 0.000 1.385 526 I CB -0.174 37.626 38.000 -0.333 0.000 1.064 526 I HN 0.057 nan 8.210 nan 0.000 0.414 527 K N 0.625 120.969 120.400 -0.094 0.000 2.044 527 K HA -0.229 4.098 4.320 0.012 0.000 0.210 527 K C 2.031 178.614 176.600 -0.029 0.000 1.049 527 K CA 1.722 57.993 56.287 -0.026 0.000 0.927 527 K CB -0.124 32.409 32.500 0.054 0.000 0.713 527 K HN 0.392 nan 8.250 nan 0.000 0.443 528 E N 0.426 120.610 120.200 -0.027 0.000 2.072 528 E HA -0.159 4.198 4.350 0.012 0.000 0.191 528 E C 1.897 178.477 176.600 -0.032 0.000 0.985 528 E CA 0.969 57.358 56.400 -0.019 0.000 0.801 528 E CB 0.066 29.759 29.700 -0.012 0.000 0.750 528 E HN 0.238 nan 8.360 nan 0.000 0.452 529 K N 0.564 120.931 120.400 -0.056 0.000 2.147 529 K HA -0.098 4.230 4.320 0.012 0.000 0.205 529 K C 2.094 178.654 176.600 -0.065 0.000 1.049 529 K CA 0.820 57.070 56.287 -0.062 0.000 0.936 529 K CB -0.042 32.407 32.500 -0.084 0.000 0.722 529 K HN 0.128 nan 8.250 nan 0.000 0.446 530 I N 1.239 121.758 120.570 -0.085 0.000 2.252 530 I HA -0.250 3.927 4.170 0.012 0.000 0.245 530 I C 1.842 177.946 176.117 -0.023 0.000 1.102 530 I CA 1.200 62.460 61.300 -0.068 0.000 1.385 530 I CB -0.087 37.859 38.000 -0.090 0.000 1.064 530 I HN 0.063 nan 8.210 nan 0.000 0.414 531 K N 0.748 121.141 120.400 -0.012 0.000 2.589 531 K HA -0.144 4.183 4.320 0.012 0.000 0.195 531 K C 1.271 177.873 176.600 0.003 0.000 1.040 531 K CA 0.894 57.184 56.287 0.006 0.000 0.950 531 K CB 0.006 32.513 32.500 0.012 0.000 0.781 531 K HN 0.337 nan 8.250 nan 0.000 0.486 532 K N -0.031 120.364 120.400 -0.007 0.000 2.402 532 K HA 0.204 4.531 4.320 0.012 0.000 0.204 532 K C 0.063 176.660 176.600 -0.006 0.000 1.056 532 K CA -0.149 56.134 56.287 -0.006 0.000 1.069 532 K CB 0.664 33.157 32.500 -0.011 0.000 0.888 532 K HN -0.003 nan 8.250 nan 0.000 0.546 533 L N 1.524 122.742 121.223 -0.007 0.000 2.439 533 L HA 0.186 4.533 4.340 0.012 0.000 0.259 533 L C 0.780 177.651 176.870 0.002 0.000 1.129 533 L CA -0.532 54.305 54.840 -0.005 0.000 0.803 533 L CB 1.278 43.332 42.059 -0.007 0.000 1.161 533 L HN 0.077 nan 8.230 nan 0.000 0.462 534 S N 0.492 116.194 115.700 0.003 0.000 2.614 534 S HA 0.290 4.767 4.470 0.012 0.000 0.265 534 S C 1.015 175.618 174.600 0.006 0.000 1.303 534 S CA -0.176 58.027 58.200 0.005 0.000 1.000 534 S CB 1.506 64.708 63.200 0.003 0.000 0.935 534 S HN 0.701 nan 8.310 nan 0.000 0.551 535 A N 1.534 124.357 122.820 0.005 0.000 1.948 535 A HA -0.161 4.166 4.320 0.012 0.000 0.220 535 A C 2.154 179.740 177.584 0.003 0.000 1.177 535 A CA 2.037 54.076 52.037 0.004 0.000 0.636 535 A CB -0.971 18.030 19.000 0.003 0.000 0.815 535 A HN 0.983 nan 8.150 nan 0.000 0.449 536 K N -0.398 120.002 120.400 0.001 0.000 2.025 536 K HA -0.094 4.233 4.320 0.012 0.000 0.207 536 K C 2.152 178.755 176.600 0.005 0.000 1.049 536 K CA 1.727 58.012 56.287 -0.003 0.000 0.933 536 K CB -0.220 32.275 32.500 -0.007 0.000 0.714 536 K HN 0.383 nan 8.250 nan 0.000 0.438 537 S N 0.942 116.648 115.700 0.011 0.000 2.387 537 S HA -0.017 4.460 4.470 0.012 0.000 0.226 537 S C 1.809 176.433 174.600 0.040 0.000 1.026 537 S CA 0.969 59.183 58.200 0.023 0.000 0.972 537 S CB -0.190 63.020 63.200 0.017 0.000 0.814 537 S HN 0.234 nan 8.310 nan 0.000 0.477 538 L N 1.452 122.694 121.223 0.032 0.000 2.046 538 L HA -0.141 4.206 4.340 0.012 0.000 0.208 538 L C 2.083 178.986 176.870 0.055 0.000 1.077 538 L CA 1.247 56.113 54.840 0.044 0.000 0.747 538 L CB -0.682 41.392 42.059 0.024 0.000 0.896 538 L HN 0.311 nan 8.230 nan 0.000 0.432 539 N N -0.442 118.280 118.700 0.036 0.000 2.188 539 N HA -0.196 4.551 4.740 0.012 0.000 0.184 539 N C 1.799 177.348 175.510 0.065 0.000 1.018 539 N CA 0.873 53.946 53.050 0.039 0.000 0.858 539 N CB 0.054 38.547 38.487 0.011 0.000 0.989 539 N HN 0.280 nan 8.380 nan 0.000 0.426 540 E N 0.182 120.413 120.200 0.052 0.000 2.106 540 E HA -0.088 4.269 4.350 0.012 0.000 0.192 540 E C 1.804 178.487 176.600 0.139 0.000 0.984 540 E CA 0.947 57.388 56.400 0.069 0.000 0.806 540 E CB 0.146 29.868 29.700 0.037 0.000 0.750 540 E HN 0.344 nan 8.360 nan 0.000 0.458 541 M N -0.277 119.404 119.600 0.135 0.000 2.099 541 M HA -0.125 4.362 4.480 0.012 0.000 0.262 541 M C 2.217 178.566 176.300 0.081 0.000 1.067 541 M CA 0.771 56.183 55.300 0.186 0.000 1.124 541 M CB -0.166 32.589 32.600 0.258 0.000 1.353 541 M HN 0.193 nan 8.290 nan 0.000 0.410 542 L N 0.276 121.556 121.223 0.095 0.000 2.013 542 L HA -0.220 4.127 4.340 0.012 0.000 0.212 542 L C 2.211 179.075 176.870 -0.010 0.000 1.073 542 L CA 1.917 56.785 54.840 0.047 0.000 0.753 542 L CB -0.930 41.163 42.059 0.058 0.000 0.890 542 L HN 0.218 nan 8.230 nan 0.000 0.432 543 F N 0.449 120.343 119.950 -0.094 0.000 2.091 543 F HA -0.273 4.261 4.527 0.012 0.000 0.299 543 F C 2.567 178.257 175.800 -0.182 0.000 1.103 543 F CA 2.023 59.956 58.000 -0.112 0.000 1.228 543 F CB -0.260 38.693 39.000 -0.078 0.000 0.984 543 F HN 0.037 nan 8.300 nan 0.000 0.477 544 R N 0.015 120.403 120.500 -0.187 0.000 2.092 544 R HA -0.077 4.271 4.340 0.012 0.000 0.231 544 R C 2.484 178.299 176.300 -0.808 0.000 1.119 544 R CA 1.085 56.910 56.100 -0.458 0.000 0.970 544 R CB -0.801 29.276 30.300 -0.371 0.000 0.864 544 R HN 0.404 nan 8.270 nan 0.000 0.440 545 A N 1.102 123.404 122.820 -0.865 0.000 1.902 545 A HA -0.226 4.101 4.320 0.012 0.000 0.217 545 A C 2.006 179.386 177.584 -0.341 0.000 1.181 545 A CA 1.308 52.976 52.037 -0.615 0.000 0.623 545 A CB -0.369 18.506 19.000 -0.208 0.000 0.818 545 A HN 0.321 nan 8.150 nan 0.000 0.443 546 Q N -1.242 118.369 119.800 -0.314 0.000 2.230 546 Q HA -0.058 4.289 4.340 0.012 0.000 0.202 546 Q C 2.239 178.051 176.000 -0.314 0.000 0.963 546 Q CA 0.692 56.338 55.803 -0.262 0.000 0.866 546 Q CB -0.027 28.574 28.738 -0.229 0.000 0.931 546 Q HN 0.407 nan 8.270 nan 0.000 0.452 547 R N -0.327 119.905 120.500 -0.447 0.000 2.090 547 R HA -0.004 4.343 4.340 0.012 0.000 0.228 547 R C 2.077 178.232 176.300 -0.242 0.000 1.110 547 R CA 1.153 57.020 56.100 -0.388 0.000 0.973 547 R CB -0.660 29.343 30.300 -0.495 0.000 0.869 547 R HN 0.216 nan 8.270 nan 0.000 0.440 548 T N 1.064 115.476 114.554 -0.236 0.000 2.821 548 T HA -0.132 4.225 4.350 0.012 0.000 0.267 548 T C 1.681 176.321 174.700 -0.100 0.000 1.046 548 T CA 1.243 63.261 62.100 -0.137 0.000 1.139 548 T CB -0.005 68.813 68.868 -0.083 0.000 0.871 548 T HN 0.387 nan 8.240 nan 0.000 0.454 549 E N 0.460 120.591 120.200 -0.115 0.000 2.051 549 E HA -0.125 4.233 4.350 0.012 0.000 0.192 549 E C 2.178 178.744 176.600 -0.056 0.000 0.991 549 E CA 1.032 57.388 56.400 -0.074 0.000 0.799 549 E CB -0.042 29.611 29.700 -0.079 0.000 0.748 549 E HN 0.249 nan 8.360 nan 0.000 0.449 550 V N 1.054 120.919 119.914 -0.081 0.000 2.427 550 V HA -0.227 3.901 4.120 0.012 0.000 0.248 550 V C 2.374 178.444 176.094 -0.039 0.000 1.051 550 V CA 1.641 63.909 62.300 -0.054 0.000 1.048 550 V CB -0.542 31.230 31.823 -0.084 0.000 0.666 550 V HN 0.409 nan 8.190 nan 0.000 0.456 551 A N 0.496 123.279 122.820 -0.061 0.000 1.873 551 A HA -0.052 4.275 4.320 0.012 0.000 0.215 551 A C 2.430 180.000 177.584 -0.024 0.000 1.186 551 A CA 1.817 53.825 52.037 -0.050 0.000 0.616 551 A CB -1.197 17.766 19.000 -0.062 0.000 0.823 551 A HN 0.503 nan 8.150 nan 0.000 0.442 552 G N -0.643 108.162 108.800 0.008 0.000 2.418 552 G HA2 -0.276 3.692 3.960 0.012 0.000 0.217 552 G HA3 -0.276 3.692 3.960 0.012 0.000 0.217 552 G C 1.657 176.571 174.900 0.024 0.000 1.158 552 G CA 1.240 46.380 45.100 0.067 0.000 0.771 552 G HN 0.482 nan 8.290 nan 0.000 0.545 553 M N 0.706 120.310 119.600 0.008 0.000 2.080 553 M HA -0.129 4.358 4.480 0.012 0.000 0.260 553 M C 2.590 178.899 176.300 0.016 0.000 1.068 553 M CA 2.212 57.517 55.300 0.008 0.000 1.109 553 M CB -0.568 32.044 32.600 0.020 0.000 1.342 553 M HN 0.244 nan 8.290 nan 0.000 0.405 554 T N 1.115 115.693 114.554 0.040 0.000 2.684 554 T HA -0.111 4.246 4.350 0.012 0.000 0.267 554 T C 1.814 176.480 174.700 -0.057 0.000 1.036 554 T CA 1.750 63.894 62.100 0.074 0.000 1.148 554 T CB -0.621 68.328 68.868 0.135 0.000 0.863 554 T HN 0.617 nan 8.240 nan 0.000 0.436 555 A N 1.621 124.359 122.820 -0.137 0.000 1.969 555 A HA -0.161 4.166 4.320 0.012 0.000 0.218 555 A C 2.291 179.750 177.584 -0.209 0.000 1.169 555 A CA 1.915 53.763 52.037 -0.315 0.000 0.635 555 A CB -0.535 18.037 19.000 -0.714 0.000 0.810 555 A HN 0.677 nan 8.150 nan 0.000 0.445 556 Q N -0.613 119.137 119.800 -0.084 0.000 2.107 556 Q HA 0.162 4.510 4.340 0.012 0.000 0.195 556 Q C 1.847 177.819 176.000 -0.046 0.000 0.964 556 Q CA 1.380 57.164 55.803 -0.032 0.000 0.833 556 Q CB -0.652 28.083 28.738 -0.006 0.000 0.910 556 Q HN 0.453 nan 8.270 nan 0.000 0.465 557 I N 0.713 121.248 120.570 -0.059 0.000 2.361 557 I HA -0.209 3.968 4.170 0.012 0.000 0.251 557 I C 1.233 177.319 176.117 -0.051 0.000 1.133 557 I CA 1.093 62.329 61.300 -0.107 0.000 1.413 557 I CB -0.015 37.878 38.000 -0.178 0.000 1.073 557 I HN 0.331 nan 8.210 nan 0.000 0.424 558 N N 0.353 119.048 118.700 -0.009 0.000 2.395 558 N HA -0.037 4.710 4.740 0.012 0.000 0.175 558 N C 1.784 177.301 175.510 0.011 0.000 1.029 558 N CA 0.567 53.640 53.050 0.038 0.000 0.897 558 N CB -0.043 38.361 38.487 -0.138 0.000 0.991 558 N HN 0.376 nan 8.380 nan 0.000 0.441 559 R N 1.343 121.825 120.500 -0.031 0.000 2.092 559 R HA -0.035 4.312 4.340 0.012 0.000 0.231 559 R C 2.147 178.494 176.300 0.079 0.000 1.119 559 R CA 0.934 57.036 56.100 0.003 0.000 0.970 559 R CB -0.054 30.230 30.300 -0.026 0.000 0.864 559 R HN 0.184 nan 8.270 nan 0.000 0.440 560 K N 0.896 121.330 120.400 0.058 0.000 2.147 560 K HA -0.166 4.162 4.320 0.012 0.000 0.205 560 K C 1.948 178.608 176.600 0.100 0.000 1.049 560 K CA 1.074 57.405 56.287 0.073 0.000 0.936 560 K CB -0.030 32.475 32.500 0.008 0.000 0.722 560 K HN 0.055 nan 8.250 nan 0.000 0.446 561 L N 1.140 122.438 121.223 0.124 0.000 2.072 561 L HA -0.060 4.287 4.340 0.012 0.000 0.205 561 L C 2.071 179.076 176.870 0.224 0.000 1.079 561 L CA 1.149 56.111 54.840 0.203 0.000 0.752 561 L CB -0.495 41.764 42.059 0.335 0.000 0.906 561 L HN 0.248 nan 8.230 nan 0.000 0.436 562 L N 0.018 121.375 121.223 0.223 0.000 2.056 562 L HA -0.156 4.191 4.340 0.012 0.000 0.207 562 L C 2.383 179.568 176.870 0.526 0.000 1.078 562 L CA 2.167 57.190 54.840 0.306 0.000 0.749 562 L CB -0.599 41.547 42.059 0.145 0.000 0.901 562 L HN 0.471 nan 8.230 nan 0.000 0.433 563 I N -3.201 117.607 120.570 0.397 0.000 2.286 563 I HA -0.151 4.026 4.170 0.012 0.000 0.245 563 I C 1.888 178.098 176.117 0.155 0.000 1.104 563 I CA 1.420 62.925 61.300 0.341 0.000 1.397 563 I CB -0.845 37.316 38.000 0.268 0.000 1.072 563 I HN 0.207 nan 8.210 nan 0.000 0.417 564 N N 2.077 120.864 118.700 0.145 0.000 2.244 564 N HA -0.077 4.670 4.740 0.012 0.000 0.183 564 N C 2.005 177.581 175.510 0.110 0.000 1.016 564 N CA 1.595 54.706 53.050 0.102 0.000 0.866 564 N CB -0.672 37.852 38.487 0.062 0.000 0.980 564 N HN 0.600 nan 8.380 nan 0.000 0.430 565 G N 0.684 109.580 108.800 0.160 0.000 2.470 565 G HA2 -0.167 3.800 3.960 0.012 0.000 0.220 565 G HA3 -0.167 3.800 3.960 0.012 0.000 0.220 565 G C 1.530 176.446 174.900 0.027 0.000 1.121 565 G CA 0.246 45.437 45.100 0.151 0.000 0.766 565 G HN 0.209 nan 8.290 nan 0.000 0.553 566 L N 1.231 122.381 121.223 -0.122 0.000 2.072 566 L HA 0.279 4.626 4.340 0.012 0.000 0.205 566 L C 3.065 179.752 176.870 -0.304 0.000 1.079 566 L CA 1.839 56.364 54.840 -0.525 0.000 0.752 566 L CB -0.866 40.544 42.059 -1.081 0.000 0.906 566 L HN 0.211 nan 8.230 nan 0.000 0.436 567 A N -0.508 122.226 122.820 -0.144 0.000 1.892 567 A HA -0.189 4.138 4.320 0.012 0.000 0.218 567 A C 2.300 179.892 177.584 0.013 0.000 1.188 567 A CA 1.987 53.999 52.037 -0.042 0.000 0.631 567 A CB -1.569 17.515 19.000 0.141 0.000 0.822 567 A HN 0.528 nan 8.150 nan 0.000 0.447 568 G N -1.228 107.608 108.800 0.060 0.000 2.408 568 G HA2 0.150 4.117 3.960 0.012 0.000 0.215 568 G HA3 0.150 4.117 3.960 0.012 0.000 0.215 568 G C 1.704 176.629 174.900 0.041 0.000 1.156 568 G CA 1.127 46.297 45.100 0.118 0.000 0.793 568 G HN 0.835 nan 8.290 nan 0.000 0.535 569 A N 0.954 123.698 122.820 -0.127 0.000 1.948 569 A HA -0.036 4.292 4.320 0.012 0.000 0.220 569 A C 2.327 179.796 177.584 -0.191 0.000 1.177 569 A CA 1.309 53.134 52.037 -0.352 0.000 0.636 569 A CB -0.437 18.001 19.000 -0.936 0.000 0.815 569 A HN 0.372 nan 8.150 nan 0.000 0.449 570 L N -1.084 120.085 121.223 -0.089 0.000 2.353 570 L HA -0.086 4.261 4.340 0.012 0.000 0.220 570 L C 2.146 179.020 176.870 0.006 0.000 1.133 570 L CA 0.773 55.660 54.840 0.078 0.000 0.798 570 L CB -0.254 41.780 42.059 -0.042 0.000 0.922 570 L HN 0.497 nan 8.230 nan 0.000 0.445 571 G N -1.262 107.576 108.800 0.064 0.000 3.605 571 G HA2 -0.011 3.956 3.960 0.012 0.000 0.277 571 G HA3 -0.011 3.956 3.960 0.012 0.000 0.277 571 G C 0.047 175.179 174.900 0.386 0.000 1.093 571 G CA -0.232 44.922 45.100 0.090 0.000 0.821 571 G HN 0.104 nan 8.290 nan 0.000 0.532 572 N N 1.170 120.116 118.700 0.409 0.000 2.443 572 N HA 0.112 4.859 4.740 0.012 0.000 0.269 572 N C 1.629 177.188 175.510 0.083 0.000 0.985 572 N CA -0.375 52.829 53.050 0.256 0.000 0.921 572 N CB 2.263 40.891 38.487 0.235 0.000 1.195 572 N HN -0.043 nan 8.380 nan 0.000 0.492 573 V N 2.032 121.676 119.914 -0.449 0.000 2.660 573 V HA -0.151 3.976 4.120 0.012 0.000 0.257 573 V C 1.352 177.156 176.094 -0.483 0.000 1.088 573 V CA 1.214 62.954 62.300 -0.933 0.000 1.106 573 V CB -0.911 30.360 31.823 -0.919 0.000 0.686 573 V HN 0.646 nan 8.190 nan 0.000 0.481 574 W N -1.240 120.062 121.300 0.004 0.000 2.905 574 W HA 0.347 5.015 4.660 0.013 0.000 0.251 574 W C 1.042 177.665 176.519 0.174 0.000 1.305 574 W CA -0.649 56.737 57.345 0.067 0.000 1.465 574 W CB -0.107 29.387 29.460 0.056 0.000 1.122 574 W HN 0.202 nan 8.180 nan 0.000 0.659 575 F N 1.943 122.029 119.950 0.227 0.000 2.456 575 F HA 0.190 4.724 4.527 0.011 0.000 0.358 575 F C 1.820 177.692 175.800 0.121 0.000 1.095 575 F CA -1.124 57.000 58.000 0.208 0.000 1.216 575 F CB 0.731 39.878 39.000 0.245 0.000 1.125 575 F HN -0.226 nan 8.300 nan 0.000 0.549 576 R N 3.385 123.578 120.500 -0.512 0.000 2.139 576 R HA -0.205 4.142 4.340 0.012 0.000 0.243 576 R C 0.270 176.019 176.300 -0.918 0.000 1.145 576 R CA 1.889 57.533 56.100 -0.760 0.000 0.976 576 R CB -0.226 29.444 30.300 -1.051 0.000 0.866 576 R HN 0.738 nan 8.270 nan 0.000 0.449 577 Y N -1.459 118.396 120.300 -0.740 0.000 2.751 577 Y HA 0.121 4.678 4.550 0.012 0.000 0.289 577 Y C -0.663 175.246 175.900 0.015 0.000 1.110 577 Y CA -1.009 56.888 58.100 -0.339 0.000 1.251 577 Y CB -0.145 38.096 38.460 -0.364 0.000 1.178 577 Y HN 0.020 nan 8.280 nan 0.000 0.540 578 Y N 2.667 123.003 120.300 0.060 0.000 2.729 578 Y HA 0.142 4.699 4.550 0.013 0.000 0.331 578 Y C -0.230 175.594 175.900 -0.126 0.000 1.208 578 Y CA 0.432 58.554 58.100 0.038 0.000 1.521 578 Y CB 0.307 38.708 38.460 -0.098 0.000 1.233 578 Y HN 0.194 nan 8.280 nan 0.000 0.539 579 D N 6.511 126.525 120.400 -0.643 0.000 2.470 579 D HA 0.052 4.699 4.640 0.012 0.000 0.233 579 D C -0.186 175.715 176.300 -0.666 0.000 1.372 579 D CA -0.471 53.157 54.000 -0.622 0.000 0.994 579 D CB 1.345 41.999 40.800 -0.242 0.000 1.377 579 D HN 0.638 nan 8.370 nan 0.000 0.586 580 L N 3.880 124.625 121.223 -0.796 0.000 2.265 580 L HA 0.041 4.388 4.340 0.012 0.000 0.215 580 L C 2.307 178.944 176.870 -0.389 0.000 1.117 580 L CA 1.454 55.923 54.840 -0.618 0.000 0.782 580 L CB -0.238 41.541 42.059 -0.466 0.000 0.914 580 L HN 0.388 nan 8.230 nan 0.000 0.441 581 R N -0.937 119.385 120.500 -0.296 0.000 2.073 581 R HA -0.151 4.196 4.340 0.012 0.000 0.234 581 R C 1.931 178.143 176.300 -0.148 0.000 1.134 581 R CA 1.513 57.496 56.100 -0.195 0.000 0.952 581 R CB -0.434 29.764 30.300 -0.171 0.000 0.850 581 R HN 0.408 nan 8.270 nan 0.000 0.433 582 N N 0.661 119.266 118.700 -0.157 0.000 2.171 582 N HA -0.086 4.661 4.740 0.012 0.000 0.184 582 N C 1.683 177.080 175.510 -0.188 0.000 1.021 582 N CA 1.459 54.440 53.050 -0.115 0.000 0.854 582 N CB -0.396 38.035 38.487 -0.092 0.000 0.994 582 N HN 0.208 nan 8.380 nan 0.000 0.426 583 A N 0.531 123.180 122.820 -0.285 0.000 1.902 583 A HA -0.151 4.176 4.320 0.012 0.000 0.217 583 A C 2.311 179.782 177.584 -0.188 0.000 1.181 583 A CA 2.374 54.223 52.037 -0.313 0.000 0.623 583 A CB -1.145 17.464 19.000 -0.652 0.000 0.818 583 A HN 0.519 nan 8.150 nan 0.000 0.443 584 T N -2.652 111.785 114.554 -0.195 0.000 2.985 584 T HA 0.262 4.619 4.350 0.012 0.000 0.266 584 T C 1.861 176.541 174.700 -0.033 0.000 1.076 584 T CA 1.221 63.310 62.100 -0.019 0.000 1.135 584 T CB -0.320 68.539 68.868 -0.015 0.000 0.890 584 T HN 0.506 nan 8.240 nan 0.000 0.480 585 A N 1.616 124.396 122.820 -0.067 0.000 1.930 585 A HA 0.158 4.485 4.320 0.012 0.000 0.217 585 A C 2.289 179.828 177.584 -0.075 0.000 1.175 585 A CA 1.090 53.111 52.037 -0.027 0.000 0.627 585 A CB -0.761 18.260 19.000 0.035 0.000 0.815 585 A HN 0.568 nan 8.150 nan 0.000 0.443 586 I N 0.223 120.683 120.570 -0.183 0.000 2.142 586 I HA -0.239 3.939 4.170 0.012 0.000 0.240 586 I C 2.929 178.841 176.117 -0.342 0.000 1.078 586 I CA 1.905 63.011 61.300 -0.324 0.000 1.343 586 I CB -0.621 37.112 38.000 -0.446 0.000 1.046 586 I HN 0.538 nan 8.210 nan 0.000 0.405 587 T N -2.419 111.980 114.554 -0.258 0.000 2.770 587 T HA -0.127 4.230 4.350 0.012 0.000 0.263 587 T C 1.858 176.568 174.700 0.016 0.000 1.039 587 T CA 1.771 63.779 62.100 -0.153 0.000 1.142 587 T CB -0.938 67.954 68.868 0.039 0.000 0.868 587 T HN 0.215 nan 8.240 nan 0.000 0.435 588 T N 1.421 116.000 114.554 0.041 0.000 2.746 588 T HA 0.015 4.372 4.350 0.012 0.000 0.267 588 T C 1.374 176.110 174.700 0.060 0.000 1.039 588 T CA 1.246 63.382 62.100 0.061 0.000 1.142 588 T CB -0.714 68.180 68.868 0.043 0.000 0.866 588 T HN 0.377 nan 8.240 nan 0.000 0.444 589 F N 2.097 121.998 119.950 -0.082 0.000 2.120 589 F HA -0.066 4.468 4.527 0.012 0.000 0.300 589 F C 2.396 178.167 175.800 -0.048 0.000 1.095 589 F CA 1.427 59.370 58.000 -0.094 0.000 1.249 589 F CB -0.763 38.149 39.000 -0.146 0.000 0.995 589 F HN 0.187 nan 8.300 nan 0.000 0.480 590 G N -0.849 108.072 108.800 0.203 0.000 2.418 590 G HA2 -0.245 3.722 3.960 0.012 0.000 0.217 590 G HA3 -0.245 3.722 3.960 0.012 0.000 0.217 590 G C 1.489 176.486 174.900 0.161 0.000 1.158 590 G CA 0.690 45.917 45.100 0.212 0.000 0.771 590 G HN 0.434 nan 8.290 nan 0.000 0.545 591 Q N -0.760 119.125 119.800 0.140 0.000 2.135 591 Q HA -0.117 4.230 4.340 0.012 0.000 0.204 591 Q C 2.433 178.444 176.000 0.017 0.000 0.981 591 Q CA 1.495 57.375 55.803 0.128 0.000 0.856 591 Q CB -0.218 28.598 28.738 0.130 0.000 0.902 591 Q HN 0.589 nan 8.270 nan 0.000 0.425 592 M N -0.109 119.468 119.600 -0.038 0.000 2.098 592 M HA -0.123 4.365 4.480 0.012 0.000 0.262 592 M C 2.179 178.471 176.300 -0.012 0.000 1.072 592 M CA 1.598 56.857 55.300 -0.068 0.000 1.133 592 M CB -0.177 32.302 32.600 -0.201 0.000 1.344 592 M HN 0.204 nan 8.290 nan 0.000 0.414 593 A N 0.910 123.673 122.820 -0.095 0.000 1.903 593 A HA -0.250 4.077 4.320 0.012 0.000 0.219 593 A C 2.045 179.819 177.584 0.317 0.000 1.191 593 A CA 2.091 54.206 52.037 0.130 0.000 0.638 593 A CB -1.298 17.765 19.000 0.105 0.000 0.823 593 A HN 0.629 nan 8.150 nan 0.000 0.451 594 L N -0.411 120.945 121.223 0.223 0.000 1.970 594 L HA -0.222 4.125 4.340 0.012 0.000 0.212 594 L C 2.471 179.413 176.870 0.120 0.000 1.071 594 L CA 2.627 57.594 54.840 0.212 0.000 0.751 594 L CB -0.798 41.391 42.059 0.216 0.000 0.889 594 L HN 0.527 nan 8.230 nan 0.000 0.432 595 Q N -1.562 118.244 119.800 0.010 0.000 2.297 595 Q HA -0.213 4.134 4.340 0.012 0.000 0.204 595 Q C 1.878 177.877 176.000 -0.001 0.000 0.962 595 Q CA 1.385 57.128 55.803 -0.101 0.000 0.879 595 Q CB -0.388 28.158 28.738 -0.321 0.000 0.947 595 Q HN 0.761 nan 8.270 nan 0.000 0.462 596 W N 0.512 121.742 121.300 -0.118 0.000 2.409 596 W HA -0.127 4.540 4.660 0.012 0.000 0.299 596 W C 1.427 177.822 176.519 -0.206 0.000 1.203 596 W CA 0.768 58.033 57.345 -0.133 0.000 1.298 596 W CB -0.123 29.278 29.460 -0.099 0.000 1.127 596 W HN 0.125 nan 8.180 nan 0.000 0.528 597 I N 1.572 122.189 120.570 0.080 0.000 2.928 597 I HA -0.151 4.026 4.170 0.012 0.000 0.266 597 I C 2.479 178.511 176.117 -0.141 0.000 1.234 597 I CA 1.449 62.644 61.300 -0.175 0.000 1.483 597 I CB -0.678 37.067 38.000 -0.425 0.000 1.097 597 I HN 0.081 nan 8.210 nan 0.000 0.455 598 E N 0.637 120.800 120.200 -0.063 0.000 2.051 598 E HA -0.303 4.054 4.350 0.012 0.000 0.192 598 E C 2.446 178.993 176.600 -0.089 0.000 0.991 598 E CA 1.176 57.550 56.400 -0.044 0.000 0.799 598 E CB -0.200 29.497 29.700 -0.004 0.000 0.748 598 E HN 0.407 nan 8.360 nan 0.000 0.449 599 R N 0.289 120.696 120.500 -0.156 0.000 2.091 599 R HA -0.147 4.200 4.340 0.012 0.000 0.238 599 R C 2.213 178.373 176.300 -0.234 0.000 1.136 599 R CA 1.587 57.564 56.100 -0.205 0.000 0.959 599 R CB 0.036 30.152 30.300 -0.306 0.000 0.856 599 R HN -0.001 nan 8.270 nan 0.000 0.437 600 K N 0.092 120.302 120.400 -0.317 0.000 2.057 600 K HA -0.067 4.260 4.320 0.012 0.000 0.206 600 K C 2.065 178.564 176.600 -0.168 0.000 1.050 600 K CA 1.075 57.189 56.287 -0.288 0.000 0.935 600 K CB -0.361 31.928 32.500 -0.353 0.000 0.715 600 K HN 0.125 nan 8.250 nan 0.000 0.439 601 V N 2.301 122.124 119.914 -0.153 0.000 2.453 601 V HA -0.197 3.930 4.120 0.012 0.000 0.247 601 V C 1.975 178.045 176.094 -0.040 0.000 1.048 601 V CA 1.421 63.657 62.300 -0.108 0.000 1.049 601 V CB -0.495 31.249 31.823 -0.132 0.000 0.672 601 V HN 0.273 nan 8.190 nan 0.000 0.457 602 N N 0.381 119.080 118.700 -0.001 0.000 2.069 602 N HA -0.180 4.567 4.740 0.012 0.000 0.191 602 N C 1.857 177.389 175.510 0.036 0.000 1.031 602 N CA 1.648 54.755 53.050 0.095 0.000 0.852 602 N CB -0.240 38.307 38.487 0.100 0.000 1.018 602 N HN 0.596 nan 8.380 nan 0.000 0.423 603 E N -0.470 119.716 120.200 -0.023 0.000 2.051 603 E HA -0.204 4.153 4.350 0.012 0.000 0.192 603 E C 1.804 178.379 176.600 -0.042 0.000 0.991 603 E CA 0.899 57.275 56.400 -0.039 0.000 0.799 603 E CB -0.269 29.382 29.700 -0.082 0.000 0.748 603 E HN 0.447 nan 8.360 nan 0.000 0.449 604 Y N 1.442 121.647 120.300 -0.158 0.000 2.097 604 Y HA -0.254 4.303 4.550 0.012 0.000 0.282 604 Y C 2.031 177.811 175.900 -0.200 0.000 1.152 604 Y CA 1.544 59.545 58.100 -0.166 0.000 1.136 604 Y CB -0.128 38.221 38.460 -0.185 0.000 0.975 604 Y HN -0.046 nan 8.280 nan 0.000 0.498 605 L N 0.214 121.247 121.223 -0.316 0.000 2.056 605 L HA -0.241 4.106 4.340 0.012 0.000 0.207 605 L C 2.269 178.775 176.870 -0.607 0.000 1.078 605 L CA 1.221 55.637 54.840 -0.708 0.000 0.749 605 L CB -0.651 40.617 42.059 -1.318 0.000 0.901 605 L HN 0.353 nan 8.230 nan 0.000 0.433 606 N N 0.042 118.603 118.700 -0.231 0.000 2.166 606 N HA -0.234 4.513 4.740 0.012 0.000 0.186 606 N C 1.784 177.280 175.510 -0.024 0.000 1.019 606 N CA 1.551 54.665 53.050 0.107 0.000 0.856 606 N CB 0.014 38.606 38.487 0.175 0.000 0.993 606 N HN 0.387 nan 8.380 nan 0.000 0.426 607 E N 1.174 121.296 120.200 -0.130 0.000 2.047 607 E HA -0.070 4.287 4.350 0.012 0.000 0.191 607 E C 1.861 178.354 176.600 -0.178 0.000 0.987 607 E CA 0.825 57.140 56.400 -0.142 0.000 0.799 607 E CB -0.578 29.025 29.700 -0.161 0.000 0.752 607 E HN -0.016 nan 8.360 nan 0.000 0.449 608 V N -0.390 119.333 119.914 -0.318 0.000 2.759 608 V HA -0.161 3.966 4.120 0.012 0.000 0.256 608 V C 1.588 177.613 176.094 -0.114 0.000 1.080 608 V CA 1.670 63.805 62.300 -0.275 0.000 1.101 608 V CB -0.188 31.361 31.823 -0.457 0.000 0.698 608 V HN 0.617 nan 8.190 nan 0.000 0.477 609 C N 0.444 119.702 119.300 -0.071 0.000 2.906 609 C HA 0.498 4.965 4.460 0.012 0.000 0.274 609 C C 1.734 176.748 174.990 0.040 0.000 1.257 609 C CA -0.072 58.965 59.018 0.032 0.000 1.695 609 C CB -0.918 26.917 27.740 0.158 0.000 1.958 609 C HN 0.786 nan 8.230 nan 0.000 0.619 610 G N 2.722 111.526 108.800 0.008 0.000 2.273 610 G HA2 -0.207 3.760 3.960 0.012 0.000 0.280 610 G HA3 -0.207 3.760 3.960 0.012 0.000 0.280 610 G C 0.068 174.985 174.900 0.029 0.000 1.047 610 G CA 0.759 45.864 45.100 0.008 0.000 0.869 610 G HN 0.624 nan 8.290 nan 0.000 0.502 611 T N -3.187 111.402 114.554 0.059 0.000 2.927 611 T HA 0.775 5.133 4.350 0.012 0.000 0.286 611 T C -0.483 174.250 174.700 0.054 0.000 1.040 611 T CA -0.569 61.568 62.100 0.061 0.000 1.010 611 T CB 2.993 71.912 68.868 0.086 0.000 1.177 611 T HN 0.296 nan 8.240 nan 0.000 0.546 612 E N -0.725 119.497 120.200 0.037 0.000 2.241 612 E HA 0.483 4.840 4.350 0.012 0.000 0.263 612 E C 0.622 177.235 176.600 0.022 0.000 0.882 612 E CA -0.314 56.102 56.400 0.026 0.000 0.769 612 E CB 0.742 30.447 29.700 0.008 0.000 1.185 612 E HN 1.166 nan 8.360 nan 0.000 0.415 613 G N 3.490 112.310 108.800 0.033 0.000 2.148 613 G HA2 -0.291 3.676 3.960 0.012 0.000 0.254 613 G HA3 -0.291 3.676 3.960 0.012 0.000 0.254 613 G C 0.176 175.079 174.900 0.005 0.000 0.981 613 G CA 0.499 45.611 45.100 0.020 0.000 0.670 613 G HN 0.543 nan 8.290 nan 0.000 0.528 614 E N 0.639 120.833 120.200 -0.010 0.000 2.338 614 E HA 0.543 4.901 4.350 0.012 0.000 0.272 614 E C 0.791 177.315 176.600 -0.126 0.000 1.029 614 E CA 0.105 56.432 56.400 -0.122 0.000 0.872 614 E CB 0.800 30.335 29.700 -0.274 0.000 1.015 614 E HN 0.629 nan 8.360 nan 0.000 0.417 615 A N 4.519 127.265 122.820 -0.123 0.000 2.451 615 A HA 0.148 4.475 4.320 0.012 0.000 0.266 615 A C -0.133 177.360 177.584 -0.152 0.000 1.119 615 A CA 0.048 52.054 52.037 -0.052 0.000 0.786 615 A CB -0.175 18.815 19.000 -0.017 0.000 1.061 615 A HN 0.697 nan 8.150 nan 0.000 0.503 616 F N 2.029 122.001 119.950 0.037 0.000 2.559 616 F HA 0.106 4.640 4.527 0.012 0.000 0.286 616 F C 0.883 176.712 175.800 0.049 0.000 1.108 616 F CA 0.357 58.392 58.000 0.058 0.000 1.436 616 F CB 0.445 39.486 39.000 0.069 0.000 1.130 616 F HN 0.286 nan 8.300 nan 0.000 0.584 617 V N 3.701 123.743 119.914 0.214 0.000 2.372 617 V HA 0.025 4.152 4.120 0.012 0.000 0.261 617 V C 0.941 177.047 176.094 0.020 0.000 1.055 617 V CA -0.163 62.207 62.300 0.116 0.000 0.930 617 V CB 0.530 32.413 31.823 0.099 0.000 1.031 617 V HN 0.255 nan 8.190 nan 0.000 0.479 618 L N 3.618 124.786 121.223 -0.093 0.000 2.375 618 L HA 0.467 4.814 4.340 0.012 0.000 0.215 618 L C 0.365 177.046 176.870 -0.314 0.000 1.108 618 L CA 0.868 55.532 54.840 -0.293 0.000 0.830 618 L CB -0.251 41.384 42.059 -0.707 0.000 0.959 618 L HN 0.506 nan 8.230 nan 0.000 0.457 619 Y N -0.673 119.397 120.300 -0.383 0.000 2.641 619 Y HA 0.663 5.220 4.550 0.012 0.000 0.333 619 Y C -0.785 175.141 175.900 0.044 0.000 1.174 619 Y CA -0.644 57.260 58.100 -0.327 0.000 1.057 619 Y CB 1.708 39.655 38.460 -0.856 0.000 1.322 619 Y HN -0.012 nan 8.280 nan 0.000 0.457 620 G N 2.771 111.091 108.800 -0.800 0.000 2.733 620 G HA2 0.435 4.402 3.960 0.012 0.000 0.297 620 G HA3 0.435 4.402 3.960 0.012 0.000 0.297 620 G C -2.744 171.787 174.900 -0.615 0.000 1.452 620 G CA -0.613 44.247 45.100 -0.401 0.000 0.940 620 G HN 0.484 nan 8.290 nan 0.000 0.547 621 D N 0.853 121.119 120.400 -0.224 0.000 2.602 621 D HA 0.528 5.175 4.640 0.012 0.000 0.245 621 D C 1.140 177.482 176.300 0.070 0.000 1.325 621 D CA 0.637 54.584 54.000 -0.088 0.000 0.952 621 D CB 1.434 42.261 40.800 0.046 0.000 1.317 621 D HN 0.505 nan 8.370 nan 0.000 0.577 622 T N 2.710 117.323 114.554 0.098 0.000 13.132 622 T HA -0.295 4.062 4.350 0.012 0.000 0.419 622 T C 0.663 175.465 174.700 0.170 0.000 1.442 622 T CA 2.053 64.237 62.100 0.141 0.000 2.366 622 T CB -1.131 67.779 68.868 0.069 0.000 2.813 622 T HN 0.677 nan 8.240 nan 0.000 0.650 623 D N 1.005 121.487 120.400 0.137 0.000 2.530 623 D HA 0.297 4.944 4.640 0.012 0.000 0.253 623 D C 0.108 176.495 176.300 0.145 0.000 1.338 623 D CA 0.648 54.733 54.000 0.142 0.000 0.806 623 D CB -0.041 40.816 40.800 0.095 0.000 1.160 623 D HN 0.740 nan 8.370 nan 0.000 0.514 624 S N 0.394 116.181 115.700 0.144 0.000 2.568 624 S HA 0.789 5.266 4.470 0.012 0.000 0.293 624 S C -0.186 174.481 174.600 0.111 0.000 1.089 624 S CA -0.911 57.361 58.200 0.119 0.000 0.945 624 S CB 1.866 65.141 63.200 0.125 0.000 1.077 624 S HN 0.339 nan 8.310 nan 0.000 0.485 625 I N -0.857 119.742 120.570 0.048 0.000 2.608 625 I HA 0.669 4.846 4.170 0.012 0.000 0.295 625 I C -1.912 174.164 176.117 -0.070 0.000 1.049 625 I CA -1.261 60.091 61.300 0.088 0.000 1.063 625 I CB 1.488 39.566 38.000 0.129 0.000 1.248 625 I HN 0.615 nan 8.210 nan 0.000 0.424 626 Y N 4.345 124.717 120.300 0.120 0.000 2.328 626 Y HA 0.644 5.201 4.550 0.012 0.000 0.337 626 Y C -0.224 175.719 175.900 0.072 0.000 0.966 626 Y CA -0.910 57.254 58.100 0.108 0.000 1.136 626 Y CB 2.065 40.536 38.460 0.018 0.000 1.170 626 Y HN 0.324 nan 8.280 nan 0.000 0.470 627 V N 2.642 122.719 119.914 0.272 0.000 2.417 627 V HA 0.299 4.426 4.120 0.012 0.000 0.291 627 V C 0.066 176.331 176.094 0.284 0.000 1.024 627 V CA -0.917 61.555 62.300 0.287 0.000 0.861 627 V CB 1.761 33.816 31.823 0.387 0.000 0.985 627 V HN 0.792 nan 8.190 nan 0.000 0.436 628 S N 3.253 119.113 115.700 0.266 0.000 2.510 628 S HA 0.470 4.947 4.470 0.012 0.000 0.279 628 S C 0.817 175.620 174.600 0.338 0.000 1.284 628 S CA 0.264 58.632 58.200 0.280 0.000 1.059 628 S CB 0.860 64.199 63.200 0.231 0.000 0.901 628 S HN 1.031 nan 8.310 nan 0.000 0.491 629 A N 4.095 127.099 122.820 0.306 0.000 2.538 629 A HA 0.282 4.609 4.320 0.012 0.000 0.269 629 A C 1.132 178.807 177.584 0.152 0.000 1.231 629 A CA -0.253 51.924 52.037 0.232 0.000 0.948 629 A CB -0.006 19.124 19.000 0.216 0.000 1.110 629 A HN 0.733 nan 8.150 nan 0.000 0.529 630 D N 1.107 121.641 120.400 0.224 0.000 2.104 630 D HA -0.162 4.485 4.640 0.012 0.000 0.194 630 D C 1.684 178.022 176.300 0.065 0.000 0.994 630 D CA 1.455 55.568 54.000 0.187 0.000 0.830 630 D CB -0.013 40.905 40.800 0.196 0.000 0.959 630 D HN 0.472 nan 8.370 nan 0.000 0.452 631 K N -0.067 120.395 120.400 0.104 0.000 2.155 631 K HA -0.031 4.296 4.320 0.012 0.000 0.203 631 K C 1.971 178.591 176.600 0.033 0.000 1.052 631 K CA 0.390 56.730 56.287 0.088 0.000 0.948 631 K CB 0.176 32.784 32.500 0.179 0.000 0.728 631 K HN 0.105 nan 8.250 nan 0.000 0.448 632 I N 1.321 121.889 120.570 -0.004 0.000 2.202 632 I HA -0.238 3.939 4.170 0.012 0.000 0.242 632 I C 2.218 178.303 176.117 -0.053 0.000 1.091 632 I CA 1.193 62.431 61.300 -0.104 0.000 1.368 632 I CB -0.884 36.919 38.000 -0.328 0.000 1.058 632 I HN 0.089 nan 8.210 nan 0.000 0.410 633 I N 1.181 121.666 120.570 -0.142 0.000 2.127 633 I HA -0.275 3.902 4.170 0.012 0.000 0.241 633 I C 2.152 178.182 176.117 -0.146 0.000 1.075 633 I CA 1.595 62.750 61.300 -0.241 0.000 1.334 633 I CB -1.368 36.166 38.000 -0.778 0.000 1.040 633 I HN 0.231 nan 8.210 nan 0.000 0.405 634 D N 0.770 121.104 120.400 -0.110 0.000 2.263 634 D HA -0.160 4.487 4.640 0.012 0.000 0.208 634 D C 2.169 178.433 176.300 -0.061 0.000 0.971 634 D CA 0.861 54.824 54.000 -0.062 0.000 0.867 634 D CB -0.059 40.728 40.800 -0.021 0.000 0.929 634 D HN 0.362 nan 8.370 nan 0.000 0.492 635 K N 0.250 120.617 120.400 -0.056 0.000 2.026 635 K HA -0.096 4.231 4.320 0.012 0.000 0.208 635 K C 2.086 178.631 176.600 -0.092 0.000 1.048 635 K CA 1.105 57.363 56.287 -0.048 0.000 0.929 635 K CB 0.042 32.533 32.500 -0.015 0.000 0.713 635 K HN 0.127 nan 8.250 nan 0.000 0.439 636 V N -2.038 117.779 119.914 -0.161 0.000 3.306 636 V HA 0.239 4.366 4.120 0.012 0.000 0.264 636 V C 0.527 176.433 176.094 -0.313 0.000 1.149 636 V CA 0.334 62.465 62.300 -0.283 0.000 1.143 636 V CB -0.897 30.614 31.823 -0.521 0.000 0.767 636 V HN 0.363 nan 8.190 nan 0.000 0.476 637 G N 0.546 109.220 108.800 -0.210 0.000 2.999 637 G HA2 -0.213 3.754 3.960 0.012 0.000 0.686 637 G HA3 -0.213 3.754 3.960 0.012 0.000 0.686 637 G C 0.002 174.811 174.900 -0.152 0.000 1.057 637 G CA 0.243 45.248 45.100 -0.160 0.000 0.784 637 G HN 0.537 nan 8.290 nan 0.000 0.575 638 E N 0.665 120.852 120.200 -0.021 0.000 2.153 638 E HA -0.117 4.240 4.350 0.012 0.000 0.194 638 E C 2.673 179.340 176.600 0.111 0.000 0.988 638 E CA 1.873 58.339 56.400 0.109 0.000 0.811 638 E CB -0.038 29.705 29.700 0.072 0.000 0.746 638 E HN 0.922 nan 8.360 nan 0.000 0.466 639 S N -0.437 115.265 115.700 0.005 0.000 2.555 639 S HA -0.018 4.459 4.470 0.012 0.000 0.230 639 S C 1.499 176.063 174.600 -0.060 0.000 0.978 639 S CA 0.420 58.620 58.200 -0.000 0.000 0.934 639 S CB 0.059 63.250 63.200 -0.015 0.000 0.766 639 S HN 0.020 nan 8.310 nan 0.000 0.533 640 K N 0.465 120.737 120.400 -0.213 0.000 2.444 640 K HA 0.378 4.705 4.320 0.012 0.000 0.193 640 K C -0.548 175.800 176.600 -0.420 0.000 1.024 640 K CA -0.062 56.011 56.287 -0.357 0.000 1.077 640 K CB -0.086 32.094 32.500 -0.533 0.000 0.833 640 K HN 0.447 nan 8.250 nan 0.000 0.517 641 F N -0.160 119.771 119.950 -0.031 0.000 2.422 641 F HA 0.321 4.855 4.527 0.012 0.000 0.333 641 F C 1.510 177.417 175.800 0.178 0.000 1.095 641 F CA -0.817 57.213 58.000 0.049 0.000 1.038 641 F CB 1.363 40.377 39.000 0.023 0.000 1.156 641 F HN -0.257 nan 8.300 nan 0.000 0.483 642 R N 0.409 121.241 120.500 0.553 0.000 2.061 642 R HA -0.051 4.296 4.340 0.012 0.000 0.230 642 R C -0.378 176.043 176.300 0.201 0.000 1.140 642 R CA 1.594 57.854 56.100 0.267 0.000 0.940 642 R CB -0.179 30.197 30.300 0.126 0.000 0.839 642 R HN 0.785 nan 8.270 nan 0.000 0.429 643 D N -3.778 116.747 120.400 0.209 0.000 2.759 643 D HA 0.093 4.740 4.640 0.012 0.000 0.321 643 D C 0.338 176.616 176.300 -0.036 0.000 1.267 643 D CA -0.625 53.424 54.000 0.082 0.000 0.933 643 D CB 0.240 41.044 40.800 0.008 0.000 1.431 643 D HN -0.290 nan 8.370 nan 0.000 0.504 644 T N -0.293 114.122 114.554 -0.231 0.000 2.684 644 T HA -0.137 4.221 4.350 0.012 0.000 0.267 644 T C 1.361 175.385 174.700 -1.125 0.000 1.036 644 T CA 1.776 63.419 62.100 -0.761 0.000 1.148 644 T CB -0.541 67.776 68.868 -0.917 0.000 0.863 644 T HN 0.389 nan 8.240 nan 0.000 0.436 645 N N 0.277 118.613 118.700 -0.606 0.000 2.272 645 N HA -0.104 4.643 4.740 0.012 0.000 0.185 645 N C 1.517 176.862 175.510 -0.275 0.000 1.014 645 N CA 0.986 53.779 53.050 -0.429 0.000 0.870 645 N CB -0.370 38.002 38.487 -0.191 0.000 0.975 645 N HN 0.639 nan 8.380 nan 0.000 0.433 646 H N -0.969 117.926 119.070 -0.292 0.000 2.326 646 H HA -0.101 4.462 4.556 0.012 0.000 0.301 646 H C 1.893 177.186 175.328 -0.058 0.000 1.081 646 H CA 1.316 57.334 56.048 -0.049 0.000 1.334 646 H CB -0.073 29.782 29.762 0.154 0.000 1.385 646 H HN 0.464 nan 8.280 nan 0.000 0.504 647 W N 0.578 121.581 121.300 -0.494 0.000 2.467 647 W HA -0.015 4.652 4.660 0.012 0.000 0.275 647 W C 1.250 177.626 176.519 -0.238 0.000 1.239 647 W CA 0.537 57.381 57.345 -0.836 0.000 1.266 647 W CB -0.899 27.633 29.460 -1.547 0.000 1.112 647 W HN 0.007 nan 8.180 nan 0.000 0.576 648 V N 2.226 121.790 119.914 -0.582 0.000 2.358 648 V HA -0.278 3.849 4.120 0.012 0.000 0.246 648 V C 2.370 178.435 176.094 -0.050 0.000 1.047 648 V CA 2.390 64.462 62.300 -0.381 0.000 1.035 648 V CB -0.899 30.537 31.823 -0.645 0.000 0.658 648 V HN -0.011 nan 8.190 nan 0.000 0.452 649 D N -0.267 120.129 120.400 -0.006 0.000 2.104 649 D HA -0.206 4.441 4.640 0.012 0.000 0.194 649 D C 1.928 178.348 176.300 0.201 0.000 0.994 649 D CA 1.535 55.602 54.000 0.112 0.000 0.830 649 D CB -0.270 40.634 40.800 0.173 0.000 0.959 649 D HN 0.463 nan 8.370 nan 0.000 0.452 650 F N 1.336 121.366 119.950 0.133 0.000 2.102 650 F HA -0.125 4.409 4.527 0.012 0.000 0.298 650 F C 2.220 178.142 175.800 0.203 0.000 1.105 650 F CA 1.140 59.252 58.000 0.187 0.000 1.239 650 F CB -0.343 38.799 39.000 0.237 0.000 0.991 650 F HN -0.123 nan 8.300 nan 0.000 0.474 651 L N -0.055 121.261 121.223 0.155 0.000 2.056 651 L HA -0.181 4.166 4.340 0.012 0.000 0.207 651 L C 2.232 179.169 176.870 0.112 0.000 1.078 651 L CA 1.608 56.511 54.840 0.104 0.000 0.749 651 L CB -0.855 41.355 42.059 0.250 0.000 0.901 651 L HN 0.165 nan 8.230 nan 0.000 0.433 652 D N 0.586 121.044 120.400 0.097 0.000 2.106 652 D HA -0.284 4.364 4.640 0.012 0.000 0.191 652 D C 2.161 178.493 176.300 0.052 0.000 0.997 652 D CA 1.656 55.696 54.000 0.066 0.000 0.834 652 D CB 0.070 40.899 40.800 0.049 0.000 0.956 652 D HN 0.066 nan 8.370 nan 0.000 0.448 653 K N -1.298 119.124 120.400 0.036 0.000 2.057 653 K HA -0.151 4.176 4.320 0.012 0.000 0.207 653 K C 2.267 178.859 176.600 -0.013 0.000 1.049 653 K CA 0.968 57.262 56.287 0.012 0.000 0.931 653 K CB -0.483 32.033 32.500 0.027 0.000 0.714 653 K HN 0.193 nan 8.250 nan 0.000 0.440 654 F N 0.883 120.700 119.950 -0.221 0.000 2.126 654 F HA -0.207 4.327 4.527 0.012 0.000 0.299 654 F C 1.987 177.777 175.800 -0.017 0.000 1.096 654 F CA 1.633 59.520 58.000 -0.188 0.000 1.255 654 F CB -0.148 38.662 39.000 -0.317 0.000 0.997 654 F HN 0.108 nan 8.300 nan 0.000 0.479 655 A N -0.210 122.702 122.820 0.155 0.000 1.968 655 A HA -0.107 4.220 4.320 0.012 0.000 0.217 655 A C 2.251 179.899 177.584 0.107 0.000 1.169 655 A CA 1.340 53.508 52.037 0.218 0.000 0.638 655 A CB -0.604 18.548 19.000 0.253 0.000 0.812 655 A HN 0.423 nan 8.150 nan 0.000 0.446 656 R N -0.600 119.923 120.500 0.039 0.000 2.127 656 R HA 0.005 4.352 4.340 0.012 0.000 0.217 656 R C 1.605 177.883 176.300 -0.037 0.000 1.074 656 R CA 1.334 57.444 56.100 0.016 0.000 0.991 656 R CB -0.005 30.304 30.300 0.015 0.000 0.895 656 R HN 0.626 nan 8.270 nan 0.000 0.450 657 E N -1.155 118.995 120.200 -0.083 0.000 2.340 657 E HA 0.057 4.414 4.350 0.012 0.000 0.198 657 E C 1.593 178.090 176.600 -0.172 0.000 0.961 657 E CA 0.091 56.429 56.400 -0.102 0.000 0.905 657 E CB 0.605 30.261 29.700 -0.073 0.000 0.884 657 E HN 0.074 nan 8.360 nan 0.000 0.491 658 R N -0.405 119.912 120.500 -0.304 0.000 2.225 658 R HA 0.289 4.636 4.340 0.012 0.000 0.194 658 R C 2.005 178.019 176.300 -0.476 0.000 0.949 658 R CA 0.427 56.291 56.100 -0.393 0.000 1.088 658 R CB 0.085 29.986 30.300 -0.666 0.000 1.106 658 R HN 0.151 nan 8.270 nan 0.000 0.566 659 M N 0.484 119.821 119.600 -0.439 0.000 2.257 659 M HA 0.051 4.538 4.480 0.012 0.000 0.260 659 M C 1.787 177.854 176.300 -0.388 0.000 1.102 659 M CA 1.362 56.399 55.300 -0.438 0.000 1.169 659 M CB -0.303 32.187 32.600 -0.185 0.000 1.323 659 M HN 0.049 nan 8.290 nan 0.000 0.447 660 E N 0.376 120.473 120.200 -0.173 0.000 2.097 660 E HA -0.203 4.155 4.350 0.012 0.000 0.196 660 E C -0.815 175.713 176.600 -0.119 0.000 1.000 660 E CA 1.375 57.724 56.400 -0.085 0.000 0.804 660 E CB -1.167 28.558 29.700 0.042 0.000 0.740 660 E HN 0.366 nan 8.360 nan 0.000 0.454 661 P HA -0.183 nan 4.420 nan 0.000 0.215 661 P C 1.089 178.267 177.300 -0.203 0.000 1.153 661 P CA 1.861 64.876 63.100 -0.142 0.000 0.853 661 P CB -0.008 31.604 31.700 -0.146 0.000 0.788 662 A N -0.972 121.614 122.820 -0.389 0.000 1.933 662 A HA -0.160 4.167 4.320 0.012 0.000 0.218 662 A C 2.198 179.575 177.584 -0.345 0.000 1.175 662 A CA 1.368 53.106 52.037 -0.498 0.000 0.628 662 A CB -1.588 16.710 19.000 -1.171 0.000 0.814 662 A HN 0.124 nan 8.150 nan 0.000 0.444 663 I N -0.735 119.652 120.570 -0.306 0.000 2.286 663 I HA -0.197 3.980 4.170 0.012 0.000 0.245 663 I C 2.206 178.325 176.117 0.003 0.000 1.104 663 I CA 1.713 62.894 61.300 -0.198 0.000 1.397 663 I CB -0.283 37.605 38.000 -0.188 0.000 1.072 663 I HN 0.367 nan 8.210 nan 0.000 0.417 664 D N 0.756 121.196 120.400 0.066 0.000 2.097 664 D HA -0.172 4.475 4.640 0.012 0.000 0.195 664 D C 2.380 178.725 176.300 0.075 0.000 0.989 664 D CA 1.271 55.381 54.000 0.183 0.000 0.827 664 D CB 0.112 41.009 40.800 0.161 0.000 0.966 664 D HN 0.060 nan 8.370 nan 0.000 0.456 665 R N -0.380 120.112 120.500 -0.013 0.000 2.103 665 R HA -0.102 4.245 4.340 0.012 0.000 0.242 665 R C 2.444 178.743 176.300 -0.001 0.000 1.142 665 R CA 1.358 57.438 56.100 -0.032 0.000 0.960 665 R CB -0.615 29.648 30.300 -0.061 0.000 0.858 665 R HN 0.266 nan 8.270 nan 0.000 0.439 666 G N -0.103 108.685 108.800 -0.020 0.000 2.408 666 G HA2 -0.225 3.742 3.960 0.012 0.000 0.217 666 G HA3 -0.225 3.742 3.960 0.012 0.000 0.217 666 G C 1.064 176.068 174.900 0.174 0.000 1.150 666 G CA 0.351 45.477 45.100 0.043 0.000 0.776 666 G HN 0.167 nan 8.290 nan 0.000 0.542 667 F N 0.755 120.782 119.950 0.129 0.000 2.367 667 F HA 0.247 4.782 4.527 0.012 0.000 0.298 667 F C 2.769 178.511 175.800 -0.096 0.000 1.094 667 F CA 0.317 58.351 58.000 0.057 0.000 1.409 667 F CB -0.079 39.027 39.000 0.176 0.000 1.064 667 F HN 0.001 nan 8.300 nan 0.000 0.528 668 R N -0.028 120.441 120.500 -0.051 0.000 2.092 668 R HA -0.167 4.181 4.340 0.012 0.000 0.231 668 R C 2.112 178.383 176.300 -0.049 0.000 1.119 668 R CA 1.421 57.378 56.100 -0.239 0.000 0.970 668 R CB -0.424 29.716 30.300 -0.266 0.000 0.864 668 R HN 0.327 nan 8.270 nan 0.000 0.440 669 E N 0.737 120.964 120.200 0.045 0.000 2.110 669 E HA -0.204 4.153 4.350 0.012 0.000 0.193 669 E C 1.977 178.618 176.600 0.068 0.000 0.988 669 E CA 0.991 57.458 56.400 0.113 0.000 0.804 669 E CB 0.049 29.890 29.700 0.234 0.000 0.745 669 E HN 0.216 nan 8.360 nan 0.000 0.458 670 M N 0.178 119.706 119.600 -0.120 0.000 2.229 670 M HA -0.135 4.352 4.480 0.012 0.000 0.264 670 M C 2.476 178.655 176.300 -0.202 0.000 1.063 670 M CA 1.047 56.007 55.300 -0.566 0.000 1.114 670 M CB -0.198 31.703 32.600 -1.166 0.000 1.387 670 M HN 0.376 nan 8.290 nan 0.000 0.420 671 C N 1.874 121.145 119.300 -0.047 0.000 2.436 671 C HA -0.182 4.285 4.460 0.012 0.000 0.277 671 C C 2.557 177.559 174.990 0.019 0.000 1.241 671 C CA 1.894 60.927 59.018 0.025 0.000 1.721 671 C CB -1.193 26.588 27.740 0.067 0.000 2.043 671 C HN 0.737 nan 8.230 nan 0.000 0.472 672 E N -1.196 119.021 120.200 0.027 0.000 2.268 672 E HA -0.244 4.113 4.350 0.012 0.000 0.195 672 E C 1.999 178.659 176.600 0.099 0.000 0.995 672 E CA 1.195 57.623 56.400 0.046 0.000 0.836 672 E CB -0.744 28.980 29.700 0.038 0.000 0.763 672 E HN 0.779 nan 8.360 nan 0.000 0.491 673 Y N 1.719 121.979 120.300 -0.067 0.000 2.163 673 Y HA -0.032 4.525 4.550 0.012 0.000 0.288 673 Y C 2.022 177.871 175.900 -0.086 0.000 1.136 673 Y CA 1.147 59.209 58.100 -0.063 0.000 1.147 673 Y CB -0.058 38.348 38.460 -0.089 0.000 0.987 673 Y HN -0.022 nan 8.280 nan 0.000 0.509 674 M N 0.591 120.094 119.600 -0.161 0.000 2.659 674 M HA -0.018 4.469 4.480 0.012 0.000 0.243 674 M C 0.629 176.872 176.300 -0.095 0.000 1.111 674 M CA 0.682 55.852 55.300 -0.216 0.000 1.070 674 M CB -1.779 30.763 32.600 -0.097 0.000 1.525 674 M HN 0.380 nan 8.290 nan 0.000 0.517 675 N N 2.360 121.036 118.700 -0.040 0.000 2.727 675 N HA -0.209 4.538 4.740 0.012 0.000 0.249 675 N C -0.827 174.687 175.510 0.007 0.000 1.048 675 N CA 0.349 53.392 53.050 -0.012 0.000 0.714 675 N CB -1.443 37.027 38.487 -0.028 0.000 0.959 675 N HN 0.540 nan 8.380 nan 0.000 0.544 676 N N 0.216 118.922 118.700 0.011 0.000 2.482 676 N HA 0.043 4.790 4.740 0.012 0.000 0.260 676 N C 1.301 176.808 175.510 -0.006 0.000 1.236 676 N CA -0.038 53.010 53.050 -0.003 0.000 0.938 676 N CB 0.628 39.106 38.487 -0.015 0.000 1.128 676 N HN 0.304 nan 8.380 nan 0.000 0.448 677 K N 0.828 121.212 120.400 -0.026 0.000 2.097 677 K HA -0.103 4.224 4.320 0.012 0.000 0.205 677 K C 0.067 176.656 176.600 -0.018 0.000 1.050 677 K CA 1.280 57.558 56.287 -0.015 0.000 0.938 677 K CB 0.251 32.736 32.500 -0.025 0.000 0.718 677 K HN 0.565 nan 8.250 nan 0.000 0.442 678 Q N -0.100 119.674 119.800 -0.044 0.000 2.313 678 Q HA 0.027 4.374 4.340 0.012 0.000 0.260 678 Q C -1.936 174.034 176.000 -0.049 0.000 0.972 678 Q CA -0.733 55.054 55.803 -0.026 0.000 0.886 678 Q CB 1.216 29.927 28.738 -0.045 0.000 1.373 678 Q HN 0.346 nan 8.270 nan 0.000 0.416 679 H N 4.818 123.843 119.070 -0.076 0.000 3.086 679 H HA 0.231 4.794 4.556 0.012 0.000 0.265 679 H C -0.608 174.550 175.328 -0.283 0.000 1.092 679 H CA 0.744 56.719 56.048 -0.121 0.000 1.487 679 H CB 0.140 29.896 29.762 -0.011 0.000 1.514 679 H HN 0.607 nan 8.280 nan 0.000 0.497 680 L N 5.091 125.773 121.223 -0.902 0.000 3.333 680 L HA 0.216 4.563 4.340 0.012 0.000 0.299 680 L C -0.349 175.578 176.870 -1.572 0.000 1.256 680 L CA -0.181 53.839 54.840 -1.366 0.000 1.037 680 L CB 0.311 41.928 42.059 -0.737 0.000 1.423 680 L HN 0.619 nan 8.230 nan 0.000 0.605 681 M N 1.434 120.238 119.600 -1.327 0.000 2.497 681 M HA 0.281 4.768 4.480 0.012 0.000 0.336 681 M C -1.099 174.756 176.300 -0.742 0.000 1.378 681 M CA 0.246 54.942 55.300 -1.007 0.000 1.375 681 M CB -0.442 31.448 32.600 -1.183 0.000 1.337 681 M HN -0.097 nan 8.290 nan 0.000 0.461 682 F N 3.472 123.256 119.950 -0.277 0.000 2.332 682 F HA 0.488 5.023 4.527 0.012 0.000 0.368 682 F C 0.292 176.088 175.800 -0.006 0.000 1.110 682 F CA -1.057 56.886 58.000 -0.094 0.000 1.087 682 F CB 0.825 39.777 39.000 -0.079 0.000 1.235 682 F HN 0.455 nan 8.300 nan 0.000 0.470 683 M N 4.768 124.536 119.600 0.281 0.000 2.036 683 M HA 0.379 4.866 4.480 0.012 0.000 0.337 683 M C -1.335 175.142 176.300 0.295 0.000 1.012 683 M CA -0.292 55.174 55.300 0.277 0.000 0.962 683 M CB 0.261 33.081 32.600 0.368 0.000 1.423 683 M HN 0.394 nan 8.290 nan 0.000 0.405 684 D N 3.572 124.122 120.400 0.251 0.000 2.229 684 D HA 0.278 4.925 4.640 0.012 0.000 0.249 684 D C -0.202 176.233 176.300 0.226 0.000 1.027 684 D CA -0.371 53.765 54.000 0.227 0.000 0.923 684 D CB 1.296 42.170 40.800 0.123 0.000 1.174 684 D HN 0.531 nan 8.370 nan 0.000 0.443 685 R N 1.537 122.124 120.500 0.144 0.000 2.585 685 R HA -0.051 4.296 4.340 0.012 0.000 0.275 685 R C 0.531 176.737 176.300 -0.157 0.000 1.018 685 R CA 0.668 56.608 56.100 -0.266 0.000 1.072 685 R CB 0.627 30.762 30.300 -0.275 0.000 0.953 685 R HN 0.617 nan 8.270 nan 0.000 0.419 686 E N 2.037 122.104 120.200 -0.222 0.000 2.184 686 E HA 0.224 4.581 4.350 0.012 0.000 0.194 686 E C -0.537 176.023 176.600 -0.067 0.000 0.978 686 E CA 0.059 56.403 56.400 -0.092 0.000 0.998 686 E CB 0.429 30.098 29.700 -0.051 0.000 1.240 686 E HN 0.685 nan 8.360 nan 0.000 0.492 687 A N 1.123 123.908 122.820 -0.058 0.000 2.324 687 A HA 0.615 4.942 4.320 0.012 0.000 0.330 687 A C -0.721 176.904 177.584 0.068 0.000 1.165 687 A CA -0.474 51.594 52.037 0.052 0.000 0.813 687 A CB 0.619 19.702 19.000 0.138 0.000 1.197 687 A HN 0.305 nan 8.150 nan 0.000 0.484 688 I N 1.865 122.536 120.570 0.168 0.000 2.382 688 I HA 0.548 4.725 4.170 0.012 0.000 0.286 688 I C 0.363 176.752 176.117 0.452 0.000 1.002 688 I CA -0.148 61.320 61.300 0.281 0.000 1.135 688 I CB 1.660 39.821 38.000 0.267 0.000 1.288 688 I HN 0.701 nan 8.210 nan 0.000 0.448 689 A N 4.655 127.768 122.820 0.488 0.000 2.380 689 A HA 1.032 5.359 4.320 0.012 0.000 0.315 689 A C -0.150 177.803 177.584 0.615 0.000 1.101 689 A CA -0.505 51.849 52.037 0.530 0.000 0.771 689 A CB 1.827 21.024 19.000 0.330 0.000 1.287 689 A HN 0.879 nan 8.150 nan 0.000 0.436 690 G N 0.290 109.493 108.800 0.671 0.000 2.325 690 G HA2 0.539 4.506 3.960 0.012 0.000 0.297 690 G HA3 0.539 4.506 3.960 0.012 0.000 0.297 690 G C -3.564 171.686 174.900 0.583 0.000 1.448 690 G CA -0.532 44.781 45.100 0.356 0.000 0.838 690 G HN 0.612 nan 8.290 nan 0.000 0.579 691 P HA 0.371 nan 4.420 nan 0.000 0.274 691 P C -2.753 174.878 177.300 0.552 0.000 1.237 691 P CA -1.377 61.912 63.100 0.315 0.000 0.793 691 P CB 0.212 31.953 31.700 0.067 0.000 0.977 692 P HA 0.054 nan 4.420 nan 0.000 0.264 692 P C 0.319 177.793 177.300 0.289 0.000 1.193 692 P CA 0.225 63.601 63.100 0.460 0.000 0.763 692 P CB 0.157 32.091 31.700 0.390 0.000 0.810 693 L N 3.380 124.776 121.223 0.287 0.000 2.578 693 L HA 0.013 4.361 4.340 0.012 0.000 0.279 693 L C 1.443 178.411 176.870 0.162 0.000 1.227 693 L CA 1.427 56.418 54.840 0.252 0.000 0.900 693 L CB -0.578 41.652 42.059 0.284 0.000 1.144 693 L HN 0.844 nan 8.230 nan 0.000 0.496 694 G N 2.280 111.157 108.800 0.128 0.000 2.159 694 G HA2 -0.283 3.684 3.960 0.012 0.000 0.256 694 G HA3 -0.283 3.684 3.960 0.012 0.000 0.256 694 G C 0.228 175.180 174.900 0.085 0.000 0.977 694 G CA 0.386 45.544 45.100 0.097 0.000 0.652 694 G HN 0.895 nan 8.290 nan 0.000 0.531 695 S N -1.176 114.581 115.700 0.096 0.000 2.730 695 S HA 0.727 5.204 4.470 0.012 0.000 0.284 695 S C 0.691 175.327 174.600 0.060 0.000 1.153 695 S CA -0.191 58.060 58.200 0.087 0.000 0.995 695 S CB 1.715 64.985 63.200 0.117 0.000 1.058 695 S HN 0.214 nan 8.310 nan 0.000 0.552 696 K N 0.206 120.637 120.400 0.053 0.000 2.397 696 K HA 0.244 4.572 4.320 0.012 0.000 0.202 696 K C 0.934 177.554 176.600 0.034 0.000 1.022 696 K CA -0.087 56.221 56.287 0.035 0.000 1.141 696 K CB -0.067 32.451 32.500 0.030 0.000 0.857 696 K HN 0.738 nan 8.250 nan 0.000 0.514 697 G N 1.440 110.270 108.800 0.050 0.000 2.484 697 G HA2 0.025 3.992 3.960 0.012 0.000 0.235 697 G HA3 0.025 3.992 3.960 0.012 0.000 0.235 697 G C 0.852 175.766 174.900 0.023 0.000 1.282 697 G CA -0.338 44.793 45.100 0.052 0.000 0.857 697 G HN 0.386 nan 8.290 nan 0.000 0.571 698 I N -0.354 120.236 120.570 0.034 0.000 3.783 698 I HA 0.360 4.537 4.170 0.012 0.000 0.310 698 I C 1.613 177.747 176.117 0.030 0.000 1.274 698 I CA 0.577 61.892 61.300 0.024 0.000 1.294 698 I CB 0.174 38.202 38.000 0.047 0.000 1.051 698 I HN 0.817 nan 8.210 nan 0.000 0.435 699 G N 1.431 110.261 108.800 0.051 0.000 2.812 699 G HA2 -0.161 3.806 3.960 0.012 0.000 0.219 699 G HA3 -0.161 3.806 3.960 0.012 0.000 0.219 699 G C 0.494 175.452 174.900 0.097 0.000 1.275 699 G CA -0.090 45.044 45.100 0.058 0.000 0.769 699 G HN 1.215 nan 8.290 nan 0.000 0.527 700 G N -0.979 107.911 108.800 0.149 0.000 2.547 700 G HA2 0.812 4.779 3.960 0.012 0.000 0.291 700 G HA3 0.812 4.779 3.960 0.012 0.000 0.291 700 G C -0.991 174.092 174.900 0.305 0.000 1.471 700 G CA 0.099 45.270 45.100 0.119 0.000 0.798 700 G HN 1.758 nan 8.290 nan 0.000 0.504 701 F N -1.967 118.034 119.950 0.085 0.000 2.668 701 F HA 0.879 5.413 4.527 0.012 0.000 0.309 701 F C -1.773 174.096 175.800 0.115 0.000 1.117 701 F CA -1.967 56.163 58.000 0.217 0.000 0.951 701 F CB 1.552 40.601 39.000 0.083 0.000 1.323 701 F HN 0.551 nan 8.300 nan 0.000 0.451 702 W N 1.681 123.175 121.300 0.322 0.000 2.819 702 W HA 0.379 5.046 4.660 0.012 0.000 0.337 702 W C 0.054 176.721 176.519 0.247 0.000 1.077 702 W CA -0.286 57.134 57.345 0.125 0.000 1.226 702 W CB 2.744 32.184 29.460 -0.034 0.000 1.419 702 W HN 0.854 nan 8.180 nan 0.000 0.502 703 T N -0.583 114.184 114.554 0.354 0.000 3.044 703 T HA 0.486 4.843 4.350 0.012 0.000 0.260 703 T C 0.442 175.269 174.700 0.211 0.000 1.019 703 T CA 0.527 62.800 62.100 0.287 0.000 0.921 703 T CB 0.860 69.897 68.868 0.282 0.000 1.053 703 T HN 0.685 nan 8.240 nan 0.000 0.533 704 G N 0.780 109.711 108.800 0.219 0.000 2.359 704 G HA2 0.253 4.220 3.960 0.012 0.000 0.293 704 G HA3 0.253 4.220 3.960 0.012 0.000 0.293 704 G C -1.807 173.194 174.900 0.167 0.000 1.300 704 G CA -1.236 43.966 45.100 0.169 0.000 0.888 704 G HN 0.319 nan 8.290 nan 0.000 0.541 705 K N 0.874 121.380 120.400 0.176 0.000 2.489 705 K HA 0.261 4.588 4.320 0.012 0.000 0.278 705 K C 0.475 177.196 176.600 0.202 0.000 1.000 705 K CA 0.782 57.223 56.287 0.255 0.000 1.012 705 K CB 0.261 32.885 32.500 0.206 0.000 0.903 705 K HN 0.652 nan 8.250 nan 0.000 0.485 706 K N 1.123 121.700 120.400 0.296 0.000 3.130 706 K HA -0.263 4.064 4.320 0.012 0.000 0.282 706 K C -0.536 176.088 176.600 0.040 0.000 1.145 706 K CA 1.047 57.465 56.287 0.217 0.000 0.831 706 K CB -0.964 31.627 32.500 0.151 0.000 1.226 706 K HN 0.581 nan 8.250 nan 0.000 0.478 707 R N 0.302 120.807 120.500 0.009 0.000 2.625 707 R HA 0.286 4.633 4.340 0.012 0.000 0.286 707 R C -1.166 174.953 176.300 -0.302 0.000 1.406 707 R CA -0.687 55.327 56.100 -0.143 0.000 1.052 707 R CB 0.855 31.151 30.300 -0.008 0.000 1.203 707 R HN 0.249 nan 8.270 nan 0.000 0.502 708 Y N -0.983 118.857 120.300 -0.766 0.000 2.713 708 Y HA 0.828 5.385 4.550 0.012 0.000 0.335 708 Y C -1.815 173.376 175.900 -1.182 0.000 1.222 708 Y CA -1.412 55.917 58.100 -1.285 0.000 1.061 708 Y CB 1.256 38.257 38.460 -2.432 0.000 1.314 708 Y HN 0.358 nan 8.280 nan 0.000 0.453 709 A N 1.928 123.988 122.820 -1.267 0.000 2.449 709 A HA 0.875 5.202 4.320 0.012 0.000 0.302 709 A C -2.043 175.160 177.584 -0.634 0.000 1.048 709 A CA -0.846 50.613 52.037 -0.963 0.000 0.708 709 A CB 1.434 19.789 19.000 -1.075 0.000 1.274 709 A HN 0.796 nan 8.150 nan 0.000 0.410 710 L N 1.248 122.258 121.223 -0.356 0.000 2.422 710 L HA 0.434 4.782 4.340 0.012 0.000 0.264 710 L C -0.537 176.264 176.870 -0.115 0.000 0.984 710 L CA -0.903 53.849 54.840 -0.147 0.000 0.819 710 L CB 2.469 44.528 42.059 0.001 0.000 1.330 710 L HN 0.768 nan 8.230 nan 0.000 0.410 711 N N 1.722 120.389 118.700 -0.054 0.000 2.521 711 N HA 0.343 5.090 4.740 0.012 0.000 0.236 711 N C -1.061 174.356 175.510 -0.155 0.000 1.067 711 N CA -0.218 52.753 53.050 -0.131 0.000 0.939 711 N CB 0.782 39.226 38.487 -0.071 0.000 1.201 711 N HN 0.276 nan 8.380 nan 0.000 0.511 712 V N 3.615 123.399 119.914 -0.217 0.000 2.509 712 V HA 0.252 4.379 4.120 0.012 0.000 0.284 712 V C 0.339 176.327 176.094 -0.177 0.000 1.047 712 V CA -0.370 61.898 62.300 -0.053 0.000 0.952 712 V CB 1.205 33.081 31.823 0.088 0.000 0.988 712 V HN 0.742 nan 8.190 nan 0.000 0.469 713 W N 0.286 121.727 121.300 0.235 0.000 2.866 713 W HA 0.325 4.992 4.660 0.012 0.000 0.258 713 W C 0.656 177.268 176.519 0.156 0.000 1.183 713 W CA -0.067 57.395 57.345 0.195 0.000 1.451 713 W CB 0.667 30.119 29.460 -0.013 0.000 0.959 713 W HN 0.477 nan 8.180 nan 0.000 0.622 714 D N 0.414 120.991 120.400 0.295 0.000 2.934 714 D HA 0.345 4.992 4.640 0.012 0.000 0.230 714 D C -1.455 174.869 176.300 0.040 0.000 1.204 714 D CA -0.466 53.552 54.000 0.031 0.000 0.873 714 D CB 1.891 42.706 40.800 0.026 0.000 1.645 714 D HN -0.116 nan 8.370 nan 0.000 0.502 715 M N 3.026 122.565 119.600 -0.102 0.000 2.213 715 M HA 0.254 4.742 4.480 0.012 0.000 0.286 715 M C -0.357 175.903 176.300 -0.067 0.000 1.008 715 M CA 0.001 55.296 55.300 -0.008 0.000 0.937 715 M CB 1.391 34.070 32.600 0.131 0.000 1.600 715 M HN 0.456 nan 8.290 nan 0.000 0.450 716 E N 3.152 123.331 120.200 -0.036 0.000 2.805 716 E HA -0.269 4.088 4.350 0.012 0.000 0.266 716 E C 0.724 177.290 176.600 -0.055 0.000 1.092 716 E CA 1.234 57.612 56.400 -0.036 0.000 0.781 716 E CB -1.497 28.191 29.700 -0.021 0.000 1.379 716 E HN 1.339 nan 8.360 nan 0.000 0.433 717 G N -1.057 107.700 108.800 -0.072 0.000 2.195 717 G HA2 -0.258 3.710 3.960 0.012 0.000 0.224 717 G HA3 -0.258 3.710 3.960 0.012 0.000 0.224 717 G C 0.264 175.094 174.900 -0.116 0.000 0.990 717 G CA 0.146 45.202 45.100 -0.074 0.000 0.639 717 G HN 0.213 nan 8.290 nan 0.000 0.514 718 T N 1.397 115.838 114.554 -0.188 0.000 2.723 718 T HA 0.519 4.876 4.350 0.012 0.000 0.297 718 T C 0.310 174.748 174.700 -0.437 0.000 0.925 718 T CA -0.115 61.805 62.100 -0.300 0.000 1.030 718 T CB 1.295 69.938 68.868 -0.374 0.000 0.905 718 T HN 0.383 nan 8.240 nan 0.000 0.502 719 R N 3.465 123.806 120.500 -0.266 0.000 2.205 719 R HA 0.260 4.607 4.340 0.012 0.000 0.342 719 R C -1.158 175.065 176.300 -0.129 0.000 1.058 719 R CA -0.661 55.334 56.100 -0.175 0.000 0.904 719 R CB -0.461 29.808 30.300 -0.051 0.000 1.089 719 R HN 0.477 nan 8.270 nan 0.000 0.471 720 Y N 2.692 123.039 120.300 0.078 0.000 2.544 720 Y HA 0.107 4.664 4.550 0.012 0.000 0.330 720 Y C 1.549 177.510 175.900 0.103 0.000 1.136 720 Y CA 0.332 58.468 58.100 0.060 0.000 1.417 720 Y CB 0.798 39.263 38.460 0.008 0.000 1.229 720 Y HN 0.771 nan 8.280 nan 0.000 0.532 721 A N 2.369 125.344 122.820 0.259 0.000 1.972 721 A HA -0.068 4.259 4.320 0.012 0.000 0.219 721 A C 0.598 178.322 177.584 0.232 0.000 1.169 721 A CA 1.205 53.383 52.037 0.237 0.000 0.635 721 A CB -0.116 19.022 19.000 0.230 0.000 0.810 721 A HN 0.634 nan 8.150 nan 0.000 0.446 722 E N -0.075 120.230 120.200 0.175 0.000 2.234 722 E HA 0.372 4.729 4.350 0.012 0.000 0.266 722 E C -2.892 173.656 176.600 -0.087 0.000 0.877 722 E CA -2.663 53.776 56.400 0.066 0.000 0.758 722 E CB 1.305 31.022 29.700 0.028 0.000 1.170 722 E HN 0.133 nan 8.360 nan 0.000 0.415 723 P HA -0.010 nan 4.420 nan 0.000 0.265 723 P C -0.448 176.536 177.300 -0.526 0.000 1.187 723 P CA 0.164 62.847 63.100 -0.696 0.000 0.766 723 P CB 0.874 31.855 31.700 -1.198 0.000 0.820 724 K N 2.866 122.898 120.400 -0.613 0.000 2.244 724 K HA 0.391 4.718 4.320 0.012 0.000 0.260 724 K C -0.339 176.016 176.600 -0.407 0.000 0.951 724 K CA -0.801 55.141 56.287 -0.575 0.000 0.826 724 K CB 0.684 32.617 32.500 -0.945 0.000 1.108 724 K HN 0.404 nan 8.250 nan 0.000 0.433 725 L N 4.473 125.508 121.223 -0.313 0.000 2.369 725 L HA 0.196 4.543 4.340 0.012 0.000 0.279 725 L C 0.345 177.074 176.870 -0.235 0.000 1.108 725 L CA 0.054 54.742 54.840 -0.253 0.000 0.852 725 L CB 0.446 42.374 42.059 -0.219 0.000 1.169 725 L HN 0.455 nan 8.230 nan 0.000 0.452 726 K N 5.997 126.269 120.400 -0.213 0.000 2.300 726 K HA 0.457 4.784 4.320 0.012 0.000 0.264 726 K C -0.876 175.545 176.600 -0.300 0.000 1.083 726 K CA -0.406 55.768 56.287 -0.188 0.000 0.958 726 K CB 0.453 32.906 32.500 -0.078 0.000 1.318 726 K HN 0.527 nan 8.250 nan 0.000 0.448 727 I N 5.293 125.661 120.570 -0.336 0.000 2.339 727 I HA 0.289 4.466 4.170 0.012 0.000 0.290 727 I C -0.391 175.422 176.117 -0.507 0.000 0.994 727 I CA -0.756 60.262 61.300 -0.471 0.000 1.191 727 I CB 1.504 39.281 38.000 -0.371 0.000 1.343 727 I HN 0.359 nan 8.210 nan 0.000 0.458 728 M N 4.485 123.599 119.600 -0.810 0.000 2.311 728 M HA 0.426 4.913 4.480 0.012 0.000 0.325 728 M C 0.902 176.855 176.300 -0.579 0.000 1.061 728 M CA -0.566 54.305 55.300 -0.714 0.000 0.957 728 M CB 0.849 32.865 32.600 -0.974 0.000 1.646 728 M HN 0.892 nan 8.290 nan 0.000 0.434 729 G N 2.541 111.158 108.800 -0.304 0.000 2.363 729 G HA2 -0.230 3.737 3.960 0.012 0.000 0.238 729 G HA3 -0.230 3.737 3.960 0.012 0.000 0.238 729 G C 0.163 174.986 174.900 -0.129 0.000 1.062 729 G CA 0.002 44.995 45.100 -0.179 0.000 0.629 729 G HN 0.578 nan 8.290 nan 0.000 0.514 730 L N 0.486 121.596 121.223 -0.188 0.000 2.476 730 L HA 0.403 4.750 4.340 0.012 0.000 0.264 730 L C 1.918 178.789 176.870 0.001 0.000 1.224 730 L CA -0.193 54.601 54.840 -0.077 0.000 0.821 730 L CB 0.220 42.136 42.059 -0.239 0.000 1.101 730 L HN 0.098 nan 8.230 nan 0.000 0.488 731 E N 0.155 120.431 120.200 0.127 0.000 2.219 731 E HA -0.214 4.143 4.350 0.012 0.000 0.198 731 E C 1.926 178.568 176.600 0.071 0.000 0.998 731 E CA 1.809 58.270 56.400 0.102 0.000 0.818 731 E CB -0.269 29.508 29.700 0.128 0.000 0.741 731 E HN 0.883 nan 8.360 nan 0.000 0.477 732 T N -1.449 113.140 114.554 0.059 0.000 2.946 732 T HA -0.154 4.203 4.350 0.012 0.000 0.271 732 T C 1.366 176.065 174.700 -0.001 0.000 1.104 732 T CA 0.839 62.953 62.100 0.024 0.000 1.114 732 T CB -0.013 68.842 68.868 -0.022 0.000 0.867 732 T HN 0.012 nan 8.240 nan 0.000 0.513 733 Q N 0.336 120.122 119.800 -0.023 0.000 2.319 733 Q HA 0.334 4.681 4.340 0.012 0.000 0.209 733 Q C 0.134 176.130 176.000 -0.006 0.000 0.884 733 Q CA 0.278 56.064 55.803 -0.027 0.000 0.938 733 Q CB 0.484 29.179 28.738 -0.072 0.000 1.098 733 Q HN 0.578 nan 8.270 nan 0.000 0.517 734 K N 1.029 121.431 120.400 0.003 0.000 2.172 734 K HA 0.178 4.505 4.320 0.012 0.000 0.276 734 K C 1.027 177.630 176.600 0.006 0.000 1.013 734 K CA 0.005 56.293 56.287 0.002 0.000 0.913 734 K CB 1.244 33.745 32.500 0.001 0.000 1.055 734 K HN -0.019 nan 8.250 nan 0.000 0.461 735 S N 0.169 115.863 115.700 -0.009 0.000 2.481 735 S HA -0.140 4.337 4.470 0.012 0.000 0.231 735 S C 1.602 176.182 174.600 -0.034 0.000 0.996 735 S CA 1.140 59.326 58.200 -0.024 0.000 0.942 735 S CB -0.216 62.952 63.200 -0.053 0.000 0.768 735 S HN 0.605 nan 8.310 nan 0.000 0.520 736 S N 0.657 116.337 115.700 -0.033 0.000 2.489 736 S HA 0.060 4.537 4.470 0.012 0.000 0.228 736 S C 0.764 175.363 174.600 -0.001 0.000 0.995 736 S CA 0.092 58.267 58.200 -0.040 0.000 0.934 736 S CB -0.798 62.367 63.200 -0.059 0.000 0.771 736 S HN 0.437 nan 8.310 nan 0.000 0.522 737 T N 4.599 119.165 114.554 0.021 0.000 2.897 737 T HA 0.403 4.761 4.350 0.012 0.000 0.294 737 T C -2.660 172.083 174.700 0.071 0.000 1.004 737 T CA -1.158 60.972 62.100 0.050 0.000 1.106 737 T CB 0.994 69.898 68.868 0.059 0.000 0.949 737 T HN 0.121 nan 8.240 nan 0.000 0.520 738 P HA 0.143 nan 4.420 nan 0.000 0.269 738 P C 0.932 178.296 177.300 0.106 0.000 1.209 738 P CA -0.440 62.719 63.100 0.098 0.000 0.776 738 P CB 0.640 32.408 31.700 0.114 0.000 0.876 739 K N 2.275 122.734 120.400 0.099 0.000 1.991 739 K HA -0.177 4.150 4.320 0.012 0.000 0.212 739 K C 1.923 178.590 176.600 0.111 0.000 1.049 739 K CA 2.105 58.455 56.287 0.104 0.000 0.932 739 K CB -1.213 31.346 32.500 0.100 0.000 0.717 739 K HN 0.499 nan 8.250 nan 0.000 0.441 740 A N 1.282 124.176 122.820 0.123 0.000 1.917 740 A HA -0.170 4.158 4.320 0.012 0.000 0.219 740 A C 2.548 180.244 177.584 0.186 0.000 1.182 740 A CA 2.125 54.265 52.037 0.172 0.000 0.633 740 A CB -0.838 18.286 19.000 0.207 0.000 0.819 740 A HN 0.104 nan 8.150 nan 0.000 0.448 741 V N -0.232 119.796 119.914 0.190 0.000 2.427 741 V HA -0.315 3.812 4.120 0.012 0.000 0.248 741 V C 2.615 178.800 176.094 0.150 0.000 1.051 741 V CA 2.193 64.608 62.300 0.192 0.000 1.048 741 V CB -0.957 31.005 31.823 0.232 0.000 0.666 741 V HN 0.643 nan 8.190 nan 0.000 0.456 742 Q N -0.141 119.731 119.800 0.121 0.000 2.030 742 Q HA -0.261 4.086 4.340 0.012 0.000 0.204 742 Q C 2.425 178.471 176.000 0.076 0.000 0.986 742 Q CA 1.785 57.645 55.803 0.095 0.000 0.843 742 Q CB -0.254 28.532 28.738 0.081 0.000 0.904 742 Q HN 0.555 nan 8.270 nan 0.000 0.420 743 K N 0.096 120.540 120.400 0.073 0.000 2.032 743 K HA -0.175 4.152 4.320 0.012 0.000 0.209 743 K C 2.085 178.713 176.600 0.046 0.000 1.048 743 K CA 1.260 57.581 56.287 0.057 0.000 0.927 743 K CB -0.166 32.383 32.500 0.081 0.000 0.712 743 K HN 0.174 nan 8.250 nan 0.000 0.441 744 A N 1.128 123.959 122.820 0.019 0.000 1.873 744 A HA -0.116 4.211 4.320 0.012 0.000 0.215 744 A C 2.103 179.762 177.584 0.126 0.000 1.186 744 A CA 1.119 53.123 52.037 -0.056 0.000 0.616 744 A CB -0.632 17.857 19.000 -0.853 0.000 0.823 744 A HN 0.191 nan 8.150 nan 0.000 0.442 745 L N -0.577 120.756 121.223 0.185 0.000 2.042 745 L HA -0.244 4.103 4.340 0.012 0.000 0.210 745 L C 2.653 179.594 176.870 0.118 0.000 1.076 745 L CA 2.046 57.011 54.840 0.207 0.000 0.749 745 L CB -0.411 41.789 42.059 0.235 0.000 0.893 745 L HN 0.477 nan 8.230 nan 0.000 0.432 746 K N 0.238 120.667 120.400 0.048 0.000 2.026 746 K HA -0.273 4.054 4.320 0.012 0.000 0.208 746 K C 2.091 178.650 176.600 -0.069 0.000 1.048 746 K CA 1.819 58.090 56.287 -0.026 0.000 0.929 746 K CB 0.008 32.486 32.500 -0.038 0.000 0.713 746 K HN 0.082 nan 8.250 nan 0.000 0.439 747 E N 0.502 120.637 120.200 -0.109 0.000 2.077 747 E HA -0.175 4.182 4.350 0.012 0.000 0.193 747 E C 1.782 178.226 176.600 -0.259 0.000 0.989 747 E CA 1.738 57.970 56.400 -0.281 0.000 0.800 747 E CB -0.469 28.876 29.700 -0.591 0.000 0.746 747 E HN 0.411 nan 8.360 nan 0.000 0.452 748 C N 0.157 119.404 119.300 -0.089 0.000 2.413 748 C HA -0.089 4.378 4.460 0.012 0.000 0.276 748 C C 2.614 177.626 174.990 0.037 0.000 1.248 748 C CA 0.777 59.826 59.018 0.052 0.000 1.742 748 C CB -1.042 26.806 27.740 0.180 0.000 2.017 748 C HN 0.482 nan 8.230 nan 0.000 0.481 749 I N 0.210 120.796 120.570 0.027 0.000 2.202 749 I HA -0.201 3.976 4.170 0.012 0.000 0.242 749 I C 2.888 178.999 176.117 -0.009 0.000 1.091 749 I CA 1.390 62.705 61.300 0.025 0.000 1.368 749 I CB -0.675 37.292 38.000 -0.055 0.000 1.058 749 I HN 0.323 nan 8.210 nan 0.000 0.410 750 R N 1.135 121.596 120.500 -0.065 0.000 2.103 750 R HA -0.206 4.141 4.340 0.012 0.000 0.242 750 R C 2.460 178.732 176.300 -0.046 0.000 1.142 750 R CA 1.736 57.788 56.100 -0.080 0.000 0.960 750 R CB -0.104 30.127 30.300 -0.116 0.000 0.858 750 R HN 0.321 nan 8.270 nan 0.000 0.439 751 R N -0.478 119.995 120.500 -0.045 0.000 2.073 751 R HA -0.025 4.322 4.340 0.012 0.000 0.229 751 R C 2.426 178.740 176.300 0.024 0.000 1.120 751 R CA 1.642 57.735 56.100 -0.013 0.000 0.967 751 R CB -0.189 30.102 30.300 -0.015 0.000 0.862 751 R HN 0.248 nan 8.270 nan 0.000 0.436 752 M N 0.468 120.089 119.600 0.034 0.000 2.080 752 M HA -0.191 4.296 4.480 0.012 0.000 0.260 752 M C 2.090 178.426 176.300 0.060 0.000 1.068 752 M CA 1.777 57.103 55.300 0.044 0.000 1.109 752 M CB -0.225 32.399 32.600 0.040 0.000 1.342 752 M HN 0.130 nan 8.290 nan 0.000 0.405 753 L N -1.163 120.100 121.223 0.066 0.000 2.240 753 L HA -0.116 4.231 4.340 0.012 0.000 0.211 753 L C 2.038 178.945 176.870 0.062 0.000 1.106 753 L CA 1.001 55.881 54.840 0.067 0.000 0.793 753 L CB -0.529 41.551 42.059 0.035 0.000 0.927 753 L HN 0.415 nan 8.230 nan 0.000 0.446 754 Q N -0.923 118.905 119.800 0.047 0.000 2.350 754 Q HA 0.038 4.385 4.340 0.012 0.000 0.225 754 Q C 1.106 177.153 176.000 0.078 0.000 0.878 754 Q CA 0.308 56.155 55.803 0.073 0.000 0.935 754 Q CB 0.917 29.675 28.738 0.034 0.000 1.099 754 Q HN 0.463 nan 8.270 nan 0.000 0.527 755 E N -0.893 119.341 120.200 0.057 0.000 2.502 755 E HA 0.259 4.616 4.350 0.012 0.000 0.206 755 E C 0.225 176.855 176.600 0.050 0.000 0.821 755 E CA 0.306 56.739 56.400 0.056 0.000 1.354 755 E CB 1.719 31.447 29.700 0.047 0.000 1.336 755 E HN 0.223 nan 8.360 nan 0.000 0.675 756 G N 1.210 110.037 108.800 0.044 0.000 2.408 756 G HA2 -0.218 3.750 3.960 0.012 0.000 0.682 756 G HA3 -0.218 3.750 3.960 0.012 0.000 0.682 756 G C 0.082 175.004 174.900 0.037 0.000 1.303 756 G CA -0.103 45.019 45.100 0.036 0.000 0.966 756 G HN 0.107 nan 8.290 nan 0.000 0.560 757 E N -0.595 119.621 120.200 0.025 0.000 2.070 757 E HA -0.191 4.167 4.350 0.012 0.000 0.197 757 E C 2.022 178.649 176.600 0.046 0.000 1.004 757 E CA 1.833 58.248 56.400 0.025 0.000 0.805 757 E CB -0.086 29.616 29.700 0.005 0.000 0.744 757 E HN 0.534 nan 8.360 nan 0.000 0.451 758 E N -0.076 120.152 120.200 0.048 0.000 2.031 758 E HA -0.191 4.166 4.350 0.012 0.000 0.193 758 E C 2.118 178.771 176.600 0.089 0.000 0.994 758 E CA 1.235 57.673 56.400 0.063 0.000 0.800 758 E CB -0.196 29.537 29.700 0.055 0.000 0.752 758 E HN 0.156 nan 8.360 nan 0.000 0.447 759 S N 0.600 116.350 115.700 0.084 0.000 2.400 759 S HA -0.132 4.345 4.470 0.012 0.000 0.232 759 S C 2.012 176.697 174.600 0.141 0.000 1.025 759 S CA 0.785 59.046 58.200 0.101 0.000 0.993 759 S CB -0.289 62.955 63.200 0.075 0.000 0.808 759 S HN 0.355 nan 8.310 nan 0.000 0.478 760 L N 1.017 122.318 121.223 0.131 0.000 2.027 760 L HA -0.116 4.231 4.340 0.012 0.000 0.206 760 L C 2.320 179.345 176.870 0.258 0.000 1.074 760 L CA 2.011 56.956 54.840 0.175 0.000 0.745 760 L CB -1.097 41.032 42.059 0.117 0.000 0.898 760 L HN 0.478 nan 8.230 nan 0.000 0.433 761 Q N -0.366 119.555 119.800 0.202 0.000 2.167 761 Q HA -0.226 4.121 4.340 0.012 0.000 0.202 761 Q C 1.977 178.140 176.000 0.272 0.000 0.970 761 Q CA 1.453 57.395 55.803 0.232 0.000 0.855 761 Q CB -0.059 28.759 28.738 0.133 0.000 0.911 761 Q HN 0.561 nan 8.270 nan 0.000 0.438 762 E N 0.059 120.392 120.200 0.222 0.000 2.049 762 E HA -0.254 4.103 4.350 0.012 0.000 0.198 762 E C 1.708 178.464 176.600 0.259 0.000 1.007 762 E CA 1.446 57.971 56.400 0.209 0.000 0.809 762 E CB -0.150 29.659 29.700 0.181 0.000 0.749 762 E HN 0.394 nan 8.360 nan 0.000 0.450 763 Y N -0.174 120.238 120.300 0.187 0.000 2.163 763 Y HA -0.254 4.303 4.550 0.012 0.000 0.288 763 Y C 2.137 178.195 175.900 0.264 0.000 1.136 763 Y CA 1.727 59.943 58.100 0.194 0.000 1.147 763 Y CB -0.287 38.276 38.460 0.171 0.000 0.987 763 Y HN 0.095 nan 8.280 nan 0.000 0.509 764 F N 1.138 121.257 119.950 0.282 0.000 2.095 764 F HA -0.251 4.283 4.527 0.012 0.000 0.298 764 F C 2.384 178.302 175.800 0.196 0.000 1.104 764 F CA 2.272 60.445 58.000 0.289 0.000 1.232 764 F CB -0.503 38.703 39.000 0.343 0.000 0.987 764 F HN -0.090 nan 8.300 nan 0.000 0.475 765 K N 0.006 120.534 120.400 0.213 0.000 2.009 765 K HA -0.288 4.040 4.320 0.012 0.000 0.210 765 K C 2.180 178.716 176.600 -0.106 0.000 1.049 765 K CA 1.963 58.281 56.287 0.052 0.000 0.929 765 K CB -0.350 32.246 32.500 0.159 0.000 0.714 765 K HN 0.260 nan 8.250 nan 0.000 0.440 766 E N 0.146 120.299 120.200 -0.078 0.000 2.110 766 E HA -0.181 4.176 4.350 0.012 0.000 0.193 766 E C 1.692 178.159 176.600 -0.221 0.000 0.988 766 E CA 1.259 57.581 56.400 -0.130 0.000 0.804 766 E CB -0.328 29.315 29.700 -0.095 0.000 0.745 766 E HN 0.347 nan 8.360 nan 0.000 0.458 767 F N 1.288 120.947 119.950 -0.485 0.000 2.075 767 F HA -0.167 4.367 4.527 0.012 0.000 0.297 767 F C 2.323 177.880 175.800 -0.406 0.000 1.113 767 F CA 2.133 59.822 58.000 -0.518 0.000 1.218 767 F CB -0.227 38.376 39.000 -0.662 0.000 0.984 767 F HN 0.097 nan 8.300 nan 0.000 0.472 768 E N 0.330 120.242 120.200 -0.479 0.000 2.147 768 E HA -0.346 4.011 4.350 0.012 0.000 0.199 768 E C 2.148 178.592 176.600 -0.260 0.000 1.005 768 E CA 1.711 57.825 56.400 -0.477 0.000 0.810 768 E CB -0.194 29.160 29.700 -0.578 0.000 0.736 768 E HN 0.439 nan 8.360 nan 0.000 0.460 769 K N -0.196 120.063 120.400 -0.235 0.000 2.167 769 K HA -0.083 4.244 4.320 0.012 0.000 0.203 769 K C 1.492 177.987 176.600 -0.175 0.000 1.052 769 K CA 1.093 57.288 56.287 -0.154 0.000 0.956 769 K CB 0.344 32.771 32.500 -0.122 0.000 0.735 769 K HN -0.005 nan 8.250 nan 0.000 0.451 770 E N -0.203 119.848 120.200 -0.249 0.000 2.460 770 E HA -0.042 4.315 4.350 0.012 0.000 0.200 770 E C 1.444 177.840 176.600 -0.340 0.000 1.011 770 E CA 0.043 56.286 56.400 -0.262 0.000 0.912 770 E CB -0.020 29.545 29.700 -0.225 0.000 0.953 770 E HN 0.382 nan 8.360 nan 0.000 0.494 771 F N 2.324 121.894 119.950 -0.633 0.000 2.236 771 F HA -0.121 4.413 4.527 0.012 0.000 0.302 771 F C 1.721 177.322 175.800 -0.331 0.000 1.073 771 F CA 1.182 58.773 58.000 -0.681 0.000 1.336 771 F CB -0.155 38.277 39.000 -0.947 0.000 1.040 771 F HN -0.180 nan 8.300 nan 0.000 0.507 772 R N 0.205 120.078 120.500 -1.044 0.000 2.316 772 R HA -0.022 4.325 4.340 0.012 0.000 0.202 772 R C 1.789 177.680 176.300 -0.681 0.000 1.029 772 R CA 0.937 56.315 56.100 -1.205 0.000 1.018 772 R CB -0.310 29.328 30.300 -1.104 0.000 0.888 772 R HN 0.499 nan 8.270 nan 0.000 0.471 773 Q N -0.024 119.523 119.800 -0.422 0.000 2.424 773 Q HA 0.106 4.454 4.340 0.012 0.000 0.204 773 Q C -0.050 175.864 176.000 -0.143 0.000 0.933 773 Q CA 0.139 55.797 55.803 -0.243 0.000 0.929 773 Q CB 0.386 29.012 28.738 -0.187 0.000 1.037 773 Q HN 0.257 nan 8.270 nan 0.000 0.511 774 L N 2.320 123.456 121.223 -0.146 0.000 2.490 774 L HA -0.010 4.337 4.340 0.012 0.000 0.274 774 L C 0.672 177.559 176.870 0.029 0.000 1.201 774 L CA -0.337 54.477 54.840 -0.043 0.000 0.869 774 L CB 0.137 42.184 42.059 -0.020 0.000 1.123 774 L HN 0.276 nan 8.230 nan 0.000 0.484 775 N N 2.626 121.347 118.700 0.036 0.000 2.412 775 N HA -0.146 4.601 4.740 0.012 0.000 0.258 775 N C 0.939 176.490 175.510 0.069 0.000 1.236 775 N CA 0.089 53.184 53.050 0.075 0.000 0.882 775 N CB 0.698 39.202 38.487 0.029 0.000 1.066 775 N HN 0.607 nan 8.380 nan 0.000 0.465 776 Y N 3.635 123.927 120.300 -0.014 0.000 2.256 776 Y HA -0.129 4.428 4.550 0.011 0.000 0.288 776 Y C 1.911 177.802 175.900 -0.014 0.000 1.155 776 Y CA 0.886 58.973 58.100 -0.022 0.000 1.203 776 Y CB -0.221 38.213 38.460 -0.043 0.000 0.980 776 Y HN 0.495 nan 8.280 nan 0.000 0.530 777 I N 1.143 121.216 120.570 -0.828 0.000 2.315 777 I HA -0.251 3.927 4.170 0.012 0.000 0.248 777 I C 2.618 178.475 176.117 -0.434 0.000 1.117 777 I CA 1.612 62.444 61.300 -0.781 0.000 1.404 777 I CB -0.464 37.072 38.000 -0.773 0.000 1.071 777 I HN 0.491 nan 8.210 nan 0.000 0.419 778 S N 1.102 116.673 115.700 -0.216 0.000 2.555 778 S HA -0.036 4.441 4.470 0.012 0.000 0.230 778 S C 1.593 176.192 174.600 -0.003 0.000 0.978 778 S CA 0.512 58.669 58.200 -0.071 0.000 0.934 778 S CB -0.576 62.618 63.200 -0.009 0.000 0.766 778 S HN 0.654 nan 8.310 nan 0.000 0.533 779 I N -2.062 118.502 120.570 -0.011 0.000 4.154 779 I HA 0.578 4.755 4.170 0.012 0.000 0.334 779 I C 0.700 176.848 176.117 0.052 0.000 1.371 779 I CA -0.785 60.557 61.300 0.070 0.000 1.110 779 I CB -0.086 37.991 38.000 0.130 0.000 1.085 779 I HN 0.208 nan 8.210 nan 0.000 0.398 780 A N 1.434 124.234 122.820 -0.033 0.000 2.407 780 A HA 0.547 4.874 4.320 0.012 0.000 0.248 780 A C 0.415 178.030 177.584 0.052 0.000 1.082 780 A CA 0.072 52.107 52.037 -0.003 0.000 0.785 780 A CB 0.307 19.201 19.000 -0.178 0.000 1.020 780 A HN 0.388 nan 8.150 nan 0.000 0.489 781 S N -0.288 115.460 115.700 0.081 0.000 2.610 781 S HA 0.509 4.987 4.470 0.012 0.000 0.273 781 S C -0.052 174.574 174.600 0.044 0.000 1.274 781 S CA -0.506 57.735 58.200 0.068 0.000 1.023 781 S CB 1.196 64.439 63.200 0.072 0.000 0.962 781 S HN 0.572 nan 8.310 nan 0.000 0.523 782 V N 1.720 121.626 119.914 -0.012 0.000 2.769 782 V HA 0.838 4.965 4.120 0.012 0.000 0.312 782 V C -0.049 175.949 176.094 -0.160 0.000 1.058 782 V CA -0.443 61.782 62.300 -0.125 0.000 0.952 782 V CB 1.986 33.706 31.823 -0.171 0.000 1.019 782 V HN 0.830 nan 8.190 nan 0.000 0.445 783 S N 1.669 117.237 115.700 -0.219 0.000 2.537 783 S HA 0.488 4.965 4.470 0.012 0.000 0.271 783 S C -0.645 173.824 174.600 -0.218 0.000 1.148 783 S CA -0.510 57.532 58.200 -0.264 0.000 0.868 783 S CB 1.932 64.861 63.200 -0.452 0.000 1.115 783 S HN 0.725 nan 8.310 nan 0.000 0.461 784 S N 2.199 117.787 115.700 -0.187 0.000 2.572 784 S HA 0.582 5.059 4.470 0.012 0.000 0.279 784 S C 0.038 174.623 174.600 -0.025 0.000 1.341 784 S CA -0.122 58.009 58.200 -0.115 0.000 1.043 784 S CB 0.982 64.129 63.200 -0.088 0.000 0.887 784 S HN 1.043 nan 8.310 nan 0.000 0.516 785 A N 3.749 126.551 122.820 -0.031 0.000 2.360 785 A HA 0.546 4.873 4.320 0.012 0.000 0.309 785 A C -0.343 177.164 177.584 -0.129 0.000 1.311 785 A CA -0.940 51.100 52.037 0.005 0.000 0.805 785 A CB 0.201 19.176 19.000 -0.041 0.000 1.144 785 A HN 0.725 nan 8.150 nan 0.000 0.486 786 N N 1.028 119.631 118.700 -0.163 0.000 2.384 786 N HA 0.341 5.088 4.740 0.012 0.000 0.301 786 N C -0.256 175.127 175.510 -0.210 0.000 1.133 786 N CA -0.547 52.257 53.050 -0.409 0.000 0.853 786 N CB 1.096 39.092 38.487 -0.819 0.000 1.241 786 N HN 0.644 nan 8.380 nan 0.000 0.502 787 N N -0.128 118.443 118.700 -0.216 0.000 2.754 787 N HA -0.168 4.579 4.740 0.012 0.000 0.248 787 N C 0.799 176.346 175.510 0.062 0.000 1.093 787 N CA 0.155 53.193 53.050 -0.020 0.000 0.699 787 N CB -1.264 37.273 38.487 0.084 0.000 1.016 787 N HN 0.556 nan 8.380 nan 0.000 0.552 788 I N -0.483 120.087 120.570 -0.000 0.000 2.151 788 I HA -0.339 3.838 4.170 0.012 0.000 0.243 788 I C 2.614 178.751 176.117 0.034 0.000 1.080 788 I CA 1.729 63.041 61.300 0.019 0.000 1.339 788 I CB -0.470 37.514 38.000 -0.027 0.000 1.039 788 I HN 0.470 nan 8.210 nan 0.000 0.409 789 A N 0.921 123.743 122.820 0.002 0.000 1.892 789 A HA -0.297 4.030 4.320 0.012 0.000 0.218 789 A C 2.455 180.020 177.584 -0.031 0.000 1.188 789 A CA 2.129 54.162 52.037 -0.008 0.000 0.631 789 A CB -0.686 18.307 19.000 -0.010 0.000 0.822 789 A HN 0.354 nan 8.150 nan 0.000 0.447 790 K N -1.457 118.895 120.400 -0.079 0.000 2.113 790 K HA -0.182 4.145 4.320 0.012 0.000 0.208 790 K C 1.194 177.595 176.600 -0.332 0.000 1.047 790 K CA 1.852 57.997 56.287 -0.237 0.000 0.928 790 K CB -0.255 32.025 32.500 -0.367 0.000 0.716 790 K HN 0.679 nan 8.250 nan 0.000 0.446 791 Y N 0.263 120.553 120.300 -0.016 0.000 2.468 791 Y HA 0.109 4.666 4.550 0.012 0.000 0.268 791 Y C 0.332 176.227 175.900 -0.008 0.000 1.177 791 Y CA -0.439 57.652 58.100 -0.014 0.000 1.265 791 Y CB 0.465 38.903 38.460 -0.037 0.000 1.103 791 Y HN -0.037 nan 8.280 nan 0.000 0.522 792 D N 1.247 121.697 120.400 0.084 0.000 2.316 792 D HA 0.208 4.855 4.640 0.012 0.000 0.245 792 D C -0.922 175.408 176.300 0.050 0.000 1.171 792 D CA 0.156 54.189 54.000 0.055 0.000 0.856 792 D CB 1.261 42.075 40.800 0.023 0.000 1.090 792 D HN -0.112 nan 8.370 nan 0.000 0.476 793 V N 3.520 123.481 119.914 0.079 0.000 2.320 793 V HA 0.369 4.497 4.120 0.012 0.000 0.268 793 V C 1.071 177.240 176.094 0.125 0.000 1.021 793 V CA -0.272 62.080 62.300 0.087 0.000 0.813 793 V CB 0.913 32.791 31.823 0.091 0.000 1.054 793 V HN 0.836 nan 8.190 nan 0.000 0.444 794 G N 2.703 111.555 108.800 0.088 0.000 2.198 794 G HA2 0.042 4.009 3.960 0.012 0.000 0.260 794 G HA3 0.042 4.009 3.960 0.012 0.000 0.260 794 G C 1.120 176.071 174.900 0.085 0.000 1.025 794 G CA 0.677 45.840 45.100 0.105 0.000 0.769 794 G HN 2.109 nan 8.290 nan 0.000 0.507 795 G N -2.591 106.193 108.800 -0.026 0.000 2.213 795 G HA2 -0.102 3.865 3.960 0.012 0.000 0.236 795 G HA3 -0.102 3.865 3.960 0.012 0.000 0.236 795 G C 0.228 174.852 174.900 -0.460 0.000 0.991 795 G CA 0.438 45.383 45.100 -0.257 0.000 0.629 795 G HN 1.240 nan 8.290 nan 0.000 0.517 796 F N 1.223 121.183 119.950 0.016 0.000 2.538 796 F HA 0.637 5.171 4.527 0.013 0.000 0.325 796 F C -2.144 173.671 175.800 0.025 0.000 1.066 796 F CA -2.606 55.404 58.000 0.016 0.000 0.946 796 F CB 1.775 40.783 39.000 0.013 0.000 1.199 796 F HN -0.234 nan 8.300 nan 0.000 0.473 797 P HA 0.119 nan 4.420 nan 0.000 0.263 797 P C 0.034 177.427 177.300 0.155 0.000 1.195 797 P CA 0.072 63.258 63.100 0.143 0.000 0.762 797 P CB 0.319 32.081 31.700 0.103 0.000 0.799 798 G N 4.582 113.487 108.800 0.175 0.000 2.621 798 G HA2 0.357 4.324 3.960 0.012 0.000 0.271 798 G HA3 0.357 4.324 3.960 0.012 0.000 0.271 798 G C -2.459 172.551 174.900 0.183 0.000 1.236 798 G CA -1.267 43.934 45.100 0.170 0.000 0.958 798 G HN 0.302 nan 8.290 nan 0.000 0.512 799 P HA 0.131 nan 4.420 nan 0.000 0.266 799 P C 0.114 177.542 177.300 0.214 0.000 1.195 799 P CA 0.249 63.433 63.100 0.140 0.000 0.768 799 P CB 0.503 32.263 31.700 0.101 0.000 0.838 800 K N -1.424 119.062 120.400 0.144 0.000 3.274 800 K HA -0.207 4.120 4.320 0.012 0.000 0.300 800 K C 0.054 176.654 176.600 0.001 0.000 1.230 800 K CA 0.258 56.620 56.287 0.124 0.000 0.884 800 K CB -1.941 30.673 32.500 0.190 0.000 1.242 800 K HN 0.566 nan 8.250 nan 0.000 0.467 801 C N 2.294 121.568 119.300 -0.043 0.000 2.592 801 C HA 0.140 4.607 4.460 0.012 0.000 0.408 801 C C -1.508 173.263 174.990 -0.366 0.000 1.436 801 C CA -1.334 57.467 59.018 -0.363 0.000 1.595 801 C CB -0.513 27.169 27.740 -0.097 0.000 2.487 801 C HN 0.182 nan 8.230 nan 0.000 0.610 802 P HA 0.038 nan 4.420 nan 0.000 0.268 802 P C 0.528 177.747 177.300 -0.135 0.000 1.208 802 P CA 0.008 62.943 63.100 -0.276 0.000 0.777 802 P CB 0.239 31.704 31.700 -0.392 0.000 0.875 803 F N 2.477 122.392 119.950 -0.057 0.000 2.095 803 F HA -0.270 4.265 4.527 0.013 0.000 0.298 803 F C 2.480 178.282 175.800 0.003 0.000 1.104 803 F CA 1.978 59.978 58.000 -0.001 0.000 1.232 803 F CB -0.471 38.561 39.000 0.053 0.000 0.987 803 F HN 0.481 nan 8.300 nan 0.000 0.475 804 H N -0.518 118.572 119.070 0.034 0.000 2.389 804 H HA -0.108 4.455 4.556 0.012 0.000 0.299 804 H C 2.243 177.489 175.328 -0.137 0.000 1.081 804 H CA 1.637 57.644 56.048 -0.069 0.000 1.345 804 H CB -1.141 28.609 29.762 -0.021 0.000 1.393 804 H HN 0.242 nan 8.280 nan 0.000 0.520 805 I N 1.573 121.794 120.570 -0.581 0.000 2.226 805 I HA -0.193 3.985 4.170 0.012 0.000 0.245 805 I C 2.872 178.849 176.117 -0.234 0.000 1.100 805 I CA 0.943 62.000 61.300 -0.405 0.000 1.374 805 I CB -1.018 36.708 38.000 -0.456 0.000 1.057 805 I HN 0.228 nan 8.210 nan 0.000 0.413 806 R N 0.993 121.346 120.500 -0.245 0.000 2.091 806 R HA -0.164 4.183 4.340 0.012 0.000 0.238 806 R C 2.391 178.577 176.300 -0.190 0.000 1.136 806 R CA 1.766 57.751 56.100 -0.191 0.000 0.959 806 R CB -0.515 29.653 30.300 -0.221 0.000 0.856 806 R HN 0.411 nan 8.270 nan 0.000 0.437 807 G N 0.846 109.493 108.800 -0.256 0.000 2.418 807 G HA2 -0.238 3.729 3.960 0.012 0.000 0.217 807 G HA3 -0.238 3.729 3.960 0.012 0.000 0.217 807 G C 1.452 176.317 174.900 -0.058 0.000 1.158 807 G CA 0.893 45.886 45.100 -0.177 0.000 0.771 807 G HN 0.286 nan 8.290 nan 0.000 0.545 808 I N 0.327 120.857 120.570 -0.068 0.000 2.202 808 I HA -0.098 4.079 4.170 0.012 0.000 0.242 808 I C 2.699 178.839 176.117 0.038 0.000 1.091 808 I CA 0.615 61.913 61.300 -0.004 0.000 1.368 808 I CB -0.185 37.783 38.000 -0.054 0.000 1.058 808 I HN 0.112 nan 8.210 nan 0.000 0.410 809 L N -0.013 121.191 121.223 -0.031 0.000 2.079 809 L HA -0.227 4.121 4.340 0.012 0.000 0.210 809 L C 2.605 179.432 176.870 -0.071 0.000 1.081 809 L CA 1.552 56.360 54.840 -0.054 0.000 0.752 809 L CB -1.079 40.938 42.059 -0.071 0.000 0.896 809 L HN 0.303 nan 8.230 nan 0.000 0.433 810 T N -1.242 113.283 114.554 -0.048 0.000 2.708 810 T HA -0.269 4.088 4.350 0.012 0.000 0.266 810 T C 1.718 176.420 174.700 0.002 0.000 1.037 810 T CA 1.507 63.585 62.100 -0.037 0.000 1.146 810 T CB -0.460 68.380 68.868 -0.047 0.000 0.865 810 T HN 0.319 nan 8.240 nan 0.000 0.435 811 Y N 2.706 122.956 120.300 -0.084 0.000 2.193 811 Y HA -0.228 4.328 4.550 0.010 0.000 0.285 811 Y C 2.132 178.017 175.900 -0.025 0.000 1.166 811 Y CA 1.327 59.398 58.100 -0.047 0.000 1.181 811 Y CB -0.445 38.020 38.460 0.008 0.000 0.976 811 Y HN 0.120 nan 8.280 nan 0.000 0.520 812 N N 0.162 118.876 118.700 0.023 0.000 2.188 812 N HA -0.123 4.624 4.740 0.012 0.000 0.184 812 N C 1.812 177.242 175.510 -0.134 0.000 1.018 812 N CA 1.544 54.558 53.050 -0.060 0.000 0.858 812 N CB -0.320 38.159 38.487 -0.013 0.000 0.989 812 N HN 0.428 nan 8.380 nan 0.000 0.426 813 R N 0.414 120.833 120.500 -0.136 0.000 2.092 813 R HA 0.089 4.437 4.340 0.012 0.000 0.231 813 R C 1.966 178.208 176.300 -0.097 0.000 1.119 813 R CA 1.177 57.192 56.100 -0.141 0.000 0.970 813 R CB -0.288 29.899 30.300 -0.187 0.000 0.864 813 R HN 0.166 nan 8.270 nan 0.000 0.440 814 A N 1.571 124.344 122.820 -0.079 0.000 2.066 814 A HA -0.062 4.265 4.320 0.012 0.000 0.218 814 A C 1.959 179.468 177.584 -0.124 0.000 1.157 814 A CA 0.963 52.983 52.037 -0.028 0.000 0.670 814 A CB -0.359 18.721 19.000 0.133 0.000 0.804 814 A HN 0.475 nan 8.150 nan 0.000 0.453 815 I N -4.413 116.019 120.570 -0.229 0.000 4.025 815 I HA 0.333 4.510 4.170 0.012 0.000 0.336 815 I C 0.451 176.491 176.117 -0.129 0.000 1.390 815 I CA -0.498 60.672 61.300 -0.217 0.000 1.099 815 I CB 0.039 37.819 38.000 -0.367 0.000 1.049 815 I HN -0.064 nan 8.210 nan 0.000 0.394 816 K N 2.335 122.672 120.400 -0.106 0.000 2.527 816 K HA 0.196 4.523 4.320 0.012 0.000 0.278 816 K C 1.278 177.850 176.600 -0.046 0.000 0.981 816 K CA 1.465 57.712 56.287 -0.067 0.000 1.009 816 K CB 0.162 32.624 32.500 -0.063 0.000 0.895 816 K HN 0.547 nan 8.250 nan 0.000 0.493 817 G N 2.589 111.373 108.800 -0.028 0.000 2.148 817 G HA2 -0.263 3.705 3.960 0.012 0.000 0.254 817 G HA3 -0.263 3.705 3.960 0.012 0.000 0.254 817 G C -0.426 174.466 174.900 -0.012 0.000 0.981 817 G CA 0.070 45.161 45.100 -0.015 0.000 0.670 817 G HN 0.739 nan 8.290 nan 0.000 0.528 818 N N 0.542 119.232 118.700 -0.016 0.000 2.442 818 N HA 0.375 5.122 4.740 0.012 0.000 0.274 818 N C 1.607 177.122 175.510 0.009 0.000 1.002 818 N CA -0.272 52.773 53.050 -0.008 0.000 0.910 818 N CB 0.991 39.465 38.487 -0.020 0.000 1.244 818 N HN 0.197 nan 8.380 nan 0.000 0.492 819 I N 0.004 120.586 120.570 0.020 0.000 2.761 819 I HA -0.051 4.126 4.170 0.012 0.000 0.261 819 I C 0.909 177.053 176.117 0.045 0.000 1.198 819 I CA 1.135 62.457 61.300 0.037 0.000 1.482 819 I CB -0.650 37.373 38.000 0.038 0.000 1.100 819 I HN 0.326 nan 8.210 nan 0.000 0.445 820 D N 2.833 123.253 120.400 0.033 0.000 2.213 820 D HA 0.130 4.777 4.640 0.012 0.000 0.205 820 D C 1.344 177.682 176.300 0.063 0.000 0.961 820 D CA 0.469 54.492 54.000 0.039 0.000 0.853 820 D CB -0.282 40.532 40.800 0.023 0.000 0.967 820 D HN 0.407 nan 8.370 nan 0.000 0.496 821 A N 1.334 124.188 122.820 0.055 0.000 2.546 821 A HA 0.294 4.621 4.320 0.012 0.000 0.243 821 A C -2.128 175.540 177.584 0.140 0.000 1.063 821 A CA -0.932 51.154 52.037 0.081 0.000 0.757 821 A CB -0.264 18.747 19.000 0.019 0.000 0.991 821 A HN 0.053 nan 8.150 nan 0.000 0.503 822 P HA 0.070 nan 4.420 nan 0.000 0.263 822 P C -0.433 177.024 177.300 0.262 0.000 1.195 822 P CA 0.334 63.558 63.100 0.207 0.000 0.762 822 P CB 0.439 32.266 31.700 0.212 0.000 0.799 823 Q N 1.680 121.581 119.800 0.168 0.000 2.235 823 Q HA 0.274 4.621 4.340 0.012 0.000 0.250 823 Q C -0.242 175.796 176.000 0.064 0.000 0.909 823 Q CA -0.780 55.116 55.803 0.154 0.000 0.910 823 Q CB 1.319 30.106 28.738 0.082 0.000 1.223 823 Q HN 0.196 nan 8.270 nan 0.000 0.432 824 V N 2.559 122.506 119.914 0.054 0.000 2.508 824 V HA 0.066 4.193 4.120 0.012 0.000 0.281 824 V C 0.227 176.277 176.094 -0.073 0.000 1.041 824 V CA -0.264 61.999 62.300 -0.061 0.000 1.016 824 V CB 1.044 32.817 31.823 -0.084 0.000 0.984 824 V HN 0.445 nan 8.190 nan 0.000 0.478 825 V N 4.684 124.527 119.914 -0.117 0.000 2.406 825 V HA 0.187 4.314 4.120 0.012 0.000 0.272 825 V C 0.434 176.457 176.094 -0.119 0.000 1.043 825 V CA -0.640 61.581 62.300 -0.132 0.000 0.915 825 V CB 1.353 33.069 31.823 -0.179 0.000 0.988 825 V HN 1.021 nan 8.190 nan 0.000 0.466 826 E N 4.515 124.653 120.200 -0.103 0.000 2.606 826 E HA 0.282 4.639 4.350 0.012 0.000 0.248 826 E C 1.124 177.647 176.600 -0.128 0.000 1.005 826 E CA 1.232 57.565 56.400 -0.112 0.000 0.946 826 E CB -0.114 29.534 29.700 -0.086 0.000 0.928 826 E HN 0.992 nan 8.360 nan 0.000 0.494 827 G N 3.494 112.198 108.800 -0.161 0.000 2.195 827 G HA2 -0.261 3.706 3.960 0.012 0.000 0.224 827 G HA3 -0.261 3.706 3.960 0.012 0.000 0.224 827 G C 0.273 175.100 174.900 -0.121 0.000 0.990 827 G CA 0.170 45.177 45.100 -0.155 0.000 0.639 827 G HN 0.566 nan 8.290 nan 0.000 0.514 828 E N 0.118 120.243 120.200 -0.124 0.000 2.504 828 E HA 0.621 4.978 4.350 0.012 0.000 0.253 828 E C 0.152 176.664 176.600 -0.146 0.000 1.151 828 E CA -0.734 55.593 56.400 -0.121 0.000 0.972 828 E CB 0.732 30.358 29.700 -0.124 0.000 1.247 828 E HN 0.200 nan 8.360 nan 0.000 0.519 829 K N 0.812 121.103 120.400 -0.182 0.000 2.138 829 K HA 0.396 4.723 4.320 0.012 0.000 0.263 829 K C -0.720 175.664 176.600 -0.359 0.000 0.965 829 K CA -0.603 55.534 56.287 -0.250 0.000 0.868 829 K CB 1.633 33.966 32.500 -0.279 0.000 1.083 829 K HN 0.279 nan 8.250 nan 0.000 0.443 830 V N -0.615 119.078 119.914 -0.369 0.000 2.815 830 V HA 0.460 4.587 4.120 0.012 0.000 0.314 830 V C -1.014 174.721 176.094 -0.598 0.000 1.064 830 V CA -1.061 60.950 62.300 -0.481 0.000 0.952 830 V CB 0.899 32.532 31.823 -0.317 0.000 1.020 830 V HN 0.510 nan 8.190 nan 0.000 0.439 831 Y N 1.811 121.605 120.300 -0.842 0.000 2.304 831 Y HA 0.680 5.237 4.550 0.012 0.000 0.328 831 Y C 0.391 175.812 175.900 -0.799 0.000 1.123 831 Y CA -0.557 56.945 58.100 -0.996 0.000 1.218 831 Y CB 1.630 39.013 38.460 -1.795 0.000 1.207 831 Y HN 0.576 nan 8.280 nan 0.000 0.495 832 V N 5.313 125.126 119.914 -0.169 0.000 2.656 832 V HA 0.553 4.680 4.120 0.012 0.000 0.307 832 V C -0.523 175.675 176.094 0.174 0.000 1.051 832 V CA -1.072 61.248 62.300 0.034 0.000 0.893 832 V CB 2.124 34.011 31.823 0.106 0.000 0.999 832 V HN 0.555 nan 8.190 nan 0.000 0.426 833 L N 5.546 126.920 121.223 0.253 0.000 2.445 833 L HA 0.577 4.924 4.340 0.012 0.000 0.262 833 L C -2.634 174.360 176.870 0.206 0.000 0.974 833 L CA -1.695 53.291 54.840 0.244 0.000 0.822 833 L CB 3.598 45.827 42.059 0.284 0.000 1.339 833 L HN 0.432 nan 8.230 nan 0.000 0.409 834 P HA 0.250 nan 4.420 nan 0.000 0.278 834 P C -1.337 176.065 177.300 0.170 0.000 1.238 834 P CA -0.465 62.779 63.100 0.240 0.000 0.794 834 P CB 1.480 33.330 31.700 0.250 0.000 0.955 835 L N 2.930 124.260 121.223 0.178 0.000 2.346 835 L HA 0.421 4.768 4.340 0.012 0.000 0.276 835 L C 1.000 178.014 176.870 0.239 0.000 1.006 835 L CA -0.817 54.149 54.840 0.210 0.000 0.817 835 L CB 1.017 43.184 42.059 0.181 0.000 1.272 835 L HN 0.350 nan 8.230 nan 0.000 0.421 836 R N 1.229 121.924 120.500 0.324 0.000 2.640 836 R HA 0.032 4.379 4.340 0.012 0.000 0.270 836 R C 0.050 176.532 176.300 0.304 0.000 1.024 836 R CA -0.143 56.161 56.100 0.340 0.000 1.085 836 R CB 0.453 31.017 30.300 0.440 0.000 0.963 836 R HN 0.562 nan 8.270 nan 0.000 0.426 837 E N 0.551 120.886 120.200 0.224 0.000 2.417 837 E HA 0.051 4.409 4.350 0.012 0.000 0.261 837 E C 0.559 177.245 176.600 0.144 0.000 1.000 837 E CA 0.926 57.413 56.400 0.145 0.000 0.919 837 E CB 0.332 30.105 29.700 0.122 0.000 0.955 837 E HN 0.765 nan 8.360 nan 0.000 0.455 838 G N 3.589 112.378 108.800 -0.019 0.000 2.192 838 G HA2 -0.275 3.692 3.960 0.012 0.000 0.193 838 G HA3 -0.275 3.692 3.960 0.012 0.000 0.193 838 G C -0.081 174.418 174.900 -0.669 0.000 0.999 838 G CA -0.053 44.966 45.100 -0.135 0.000 0.659 838 G HN 0.798 nan 8.290 nan 0.000 0.503 839 N N 0.886 119.083 118.700 -0.839 0.000 2.381 839 N HA 0.466 5.213 4.740 0.012 0.000 0.241 839 N C -0.624 174.382 175.510 -0.840 0.000 1.279 839 N CA -0.564 51.647 53.050 -1.399 0.000 0.896 839 N CB 0.932 39.067 38.487 -0.588 0.000 1.118 839 N HN 0.090 nan 8.380 nan 0.000 0.438 840 P HA -0.025 nan 4.420 nan 0.000 0.233 840 P C 0.212 177.203 177.300 -0.515 0.000 1.167 840 P CA 0.797 63.527 63.100 -0.616 0.000 0.770 840 P CB -0.036 31.279 31.700 -0.641 0.000 0.837 841 F N 0.529 120.343 119.950 -0.227 0.000 2.558 841 F HA 0.260 4.794 4.527 0.011 0.000 0.298 841 F C 1.907 177.659 175.800 -0.080 0.000 1.119 841 F CA 0.947 58.872 58.000 -0.124 0.000 1.451 841 F CB -1.197 37.748 39.000 -0.092 0.000 1.091 841 F HN 0.025 nan 8.300 nan 0.000 0.563 842 G N 0.671 109.492 108.800 0.035 0.000 2.221 842 G HA2 -0.249 3.718 3.960 0.012 0.000 0.265 842 G HA3 -0.249 3.718 3.960 0.012 0.000 0.265 842 G C -0.375 174.581 174.900 0.094 0.000 1.041 842 G CA 0.512 45.639 45.100 0.045 0.000 0.807 842 G HN 0.380 nan 8.290 nan 0.000 0.502 843 D N -1.766 118.687 120.400 0.088 0.000 2.671 843 D HA 0.245 4.893 4.640 0.012 0.000 0.273 843 D C 1.290 177.625 176.300 0.059 0.000 1.264 843 D CA -0.147 53.896 54.000 0.072 0.000 0.788 843 D CB 0.463 41.301 40.800 0.063 0.000 1.324 843 D HN 0.151 nan 8.370 nan 0.000 0.424 844 K N -0.884 119.545 120.400 0.049 0.000 2.459 844 K HA 0.193 4.521 4.320 0.012 0.000 0.193 844 K C 0.575 177.213 176.600 0.063 0.000 1.030 844 K CA 0.251 56.593 56.287 0.092 0.000 1.026 844 K CB -0.398 32.197 32.500 0.158 0.000 0.809 844 K HN 0.434 nan 8.250 nan 0.000 0.504 845 C N -1.352 117.903 119.300 -0.076 0.000 3.311 845 C HA 0.745 5.212 4.460 0.012 0.000 0.325 845 C C -1.078 173.823 174.990 -0.149 0.000 1.352 845 C CA -1.404 57.527 59.018 -0.144 0.000 1.308 845 C CB 0.796 28.213 27.740 -0.539 0.000 1.619 845 C HN 0.365 nan 8.230 nan 0.000 0.469 846 I N 1.299 121.820 120.570 -0.082 0.000 2.769 846 I HA 0.774 4.951 4.170 0.012 0.000 0.298 846 I C -0.301 175.890 176.117 0.123 0.000 1.128 846 I CA -0.380 60.894 61.300 -0.044 0.000 1.031 846 I CB 2.115 40.000 38.000 -0.192 0.000 1.235 846 I HN 1.291 nan 8.210 nan 0.000 0.423 847 A N 5.373 128.275 122.820 0.137 0.000 2.454 847 A HA 0.886 5.214 4.320 0.012 0.000 0.302 847 A C -1.992 175.618 177.584 0.043 0.000 1.079 847 A CA -0.450 51.654 52.037 0.112 0.000 0.731 847 A CB 1.314 20.277 19.000 -0.063 0.000 1.299 847 A HN 0.871 nan 8.150 nan 0.000 0.413 848 W N -0.112 120.986 121.300 -0.335 0.000 3.146 848 W HA 0.686 5.352 4.660 0.010 0.000 0.319 848 W C -3.434 172.888 176.519 -0.327 0.000 1.258 848 W CA -2.440 54.533 57.345 -0.620 0.000 1.189 848 W CB 0.361 29.544 29.460 -0.462 0.000 1.412 848 W HN 0.437 nan 8.180 nan 0.000 0.567 849 P HA 0.042 nan 4.420 nan 0.000 0.261 849 P C 0.299 177.335 177.300 -0.440 0.000 1.183 849 P CA 0.494 63.417 63.100 -0.295 0.000 0.761 849 P CB 0.737 32.376 31.700 -0.102 0.000 0.785 850 S N 2.506 117.790 115.700 -0.694 0.000 2.579 850 S HA 0.387 4.865 4.470 0.012 0.000 0.275 850 S C 1.409 175.674 174.600 -0.559 0.000 1.345 850 S CA 0.272 57.782 58.200 -1.149 0.000 1.031 850 S CB -0.071 62.348 63.200 -1.302 0.000 0.892 850 S HN 0.929 nan 8.310 nan 0.000 0.529 851 G N 0.635 109.216 108.800 -0.365 0.000 2.179 851 G HA2 -0.222 3.745 3.960 0.012 0.000 0.260 851 G HA3 -0.222 3.745 3.960 0.012 0.000 0.260 851 G C 0.234 175.243 174.900 0.182 0.000 0.977 851 G CA 0.570 45.675 45.100 0.009 0.000 0.641 851 G HN 1.804 nan 8.290 nan 0.000 0.533 852 T N -1.926 112.787 114.554 0.265 0.000 2.908 852 T HA 0.681 5.038 4.350 0.012 0.000 0.290 852 T C -0.359 174.627 174.700 0.477 0.000 1.034 852 T CA -0.783 61.502 62.100 0.308 0.000 1.010 852 T CB 2.617 71.644 68.868 0.265 0.000 1.068 852 T HN 0.117 nan 8.240 nan 0.000 0.481 853 E N 1.247 121.634 120.200 0.313 0.000 2.392 853 E HA 0.185 4.543 4.350 0.012 0.000 0.264 853 E C 0.084 176.820 176.600 0.226 0.000 1.024 853 E CA -0.253 56.324 56.400 0.295 0.000 0.903 853 E CB 1.277 31.084 29.700 0.179 0.000 0.963 853 E HN 0.687 nan 8.360 nan 0.000 0.432 854 I N 1.688 122.235 120.570 -0.039 0.000 2.692 854 I HA -0.082 4.095 4.170 0.012 0.000 0.284 854 I C 0.884 176.953 176.117 -0.080 0.000 1.159 854 I CA 0.370 61.457 61.300 -0.355 0.000 1.423 854 I CB 0.848 38.262 38.000 -0.977 0.000 1.380 854 I HN 0.353 nan 8.210 nan 0.000 0.580 855 T N 4.582 119.155 114.554 0.033 0.000 2.946 855 T HA -0.058 4.299 4.350 0.012 0.000 0.311 855 T C 0.972 175.667 174.700 -0.007 0.000 1.063 855 T CA -0.041 62.088 62.100 0.048 0.000 1.139 855 T CB 0.283 69.204 68.868 0.090 0.000 0.994 855 T HN 0.706 nan 8.240 nan 0.000 0.547 856 D N 3.438 123.837 120.400 -0.003 0.000 2.309 856 D HA -0.063 4.584 4.640 0.012 0.000 0.212 856 D C 2.063 178.353 176.300 -0.016 0.000 0.968 856 D CA 0.717 54.706 54.000 -0.019 0.000 0.882 856 D CB 0.007 40.802 40.800 -0.009 0.000 0.918 856 D HN 0.578 nan 8.370 nan 0.000 0.503 857 L N 0.396 121.615 121.223 -0.007 0.000 2.189 857 L HA -0.150 4.197 4.340 0.012 0.000 0.214 857 L C 2.208 179.079 176.870 0.002 0.000 1.097 857 L CA 1.086 55.921 54.840 -0.009 0.000 0.764 857 L CB -0.269 41.780 42.059 -0.017 0.000 0.900 857 L HN 0.181 nan 8.230 nan 0.000 0.436 858 I N -6.643 113.934 120.570 0.012 0.000 4.557 858 I HA 0.086 4.263 4.170 0.012 0.000 0.333 858 I C 2.009 178.157 176.117 0.052 0.000 1.332 858 I CA -0.151 61.199 61.300 0.083 0.000 1.240 858 I CB -0.021 38.079 38.000 0.165 0.000 1.312 858 I HN -0.081 nan 8.210 nan 0.000 0.457 859 K N 2.276 122.638 120.400 -0.062 0.000 2.000 859 K HA -0.251 4.076 4.320 0.012 0.000 0.218 859 K C 1.428 177.952 176.600 -0.128 0.000 1.053 859 K CA 2.882 59.061 56.287 -0.180 0.000 0.946 859 K CB -0.180 32.190 32.500 -0.217 0.000 0.723 859 K HN 0.312 nan 8.250 nan 0.000 0.446 860 D N 1.036 121.395 120.400 -0.068 0.000 2.133 860 D HA -0.202 4.445 4.640 0.012 0.000 0.192 860 D C 1.721 178.057 176.300 0.059 0.000 1.001 860 D CA 1.493 55.477 54.000 -0.028 0.000 0.844 860 D CB -0.577 40.209 40.800 -0.024 0.000 0.944 860 D HN 0.336 nan 8.370 nan 0.000 0.447 861 D N -0.161 120.310 120.400 0.119 0.000 2.144 861 D HA -0.080 4.567 4.640 0.012 0.000 0.199 861 D C 2.272 178.870 176.300 0.496 0.000 0.984 861 D CA 0.262 54.424 54.000 0.270 0.000 0.834 861 D CB -0.107 40.779 40.800 0.145 0.000 0.955 861 D HN 0.080 nan 8.370 nan 0.000 0.465 862 V N 0.982 121.098 119.914 0.336 0.000 2.270 862 V HA -0.191 3.937 4.120 0.012 0.000 0.245 862 V C 2.662 178.816 176.094 0.099 0.000 1.043 862 V CA 1.021 63.427 62.300 0.177 0.000 1.014 862 V CB -0.402 31.328 31.823 -0.155 0.000 0.645 862 V HN 0.194 nan 8.190 nan 0.000 0.447 863 L N -0.455 120.741 121.223 -0.045 0.000 2.129 863 L HA -0.249 4.098 4.340 0.012 0.000 0.212 863 L C 2.576 179.471 176.870 0.041 0.000 1.087 863 L CA 1.847 56.644 54.840 -0.072 0.000 0.757 863 L CB -0.769 41.196 42.059 -0.157 0.000 0.896 863 L HN 0.516 nan 8.230 nan 0.000 0.434 864 H N -1.081 117.987 119.070 -0.003 0.000 2.372 864 H HA -0.146 4.417 4.556 0.012 0.000 0.301 864 H C 1.457 176.663 175.328 -0.204 0.000 1.065 864 H CA 1.492 57.464 56.048 -0.127 0.000 1.364 864 H CB 0.070 29.716 29.762 -0.194 0.000 1.406 864 H HN 0.350 nan 8.280 nan 0.000 0.521 865 W N 0.852 122.273 121.300 0.201 0.000 3.353 865 W HA 0.229 4.897 4.660 0.013 0.000 0.304 865 W C 0.632 177.210 176.519 0.097 0.000 1.273 865 W CA -0.492 56.958 57.345 0.174 0.000 1.773 865 W CB 0.040 29.655 29.460 0.258 0.000 1.095 865 W HN -0.042 nan 8.180 nan 0.000 0.676 866 M N 1.746 121.448 119.600 0.169 0.000 2.327 866 M HA -0.093 4.394 4.480 0.012 0.000 0.353 866 M C 0.253 176.545 176.300 -0.013 0.000 1.539 866 M CA 0.901 56.200 55.300 -0.001 0.000 1.039 866 M CB 0.216 32.670 32.600 -0.243 0.000 1.967 866 M HN -0.187 nan 8.290 nan 0.000 0.459 867 D N 3.858 124.279 120.400 0.035 0.000 2.483 867 D HA 0.053 4.700 4.640 0.012 0.000 0.220 867 D C 0.330 176.687 176.300 0.095 0.000 1.173 867 D CA 0.121 54.189 54.000 0.113 0.000 0.964 867 D CB 0.218 41.116 40.800 0.164 0.000 1.046 867 D HN 0.462 nan 8.370 nan 0.000 0.517 868 Y N 1.150 121.543 120.300 0.155 0.000 2.128 868 Y HA -0.231 4.327 4.550 0.012 0.000 0.284 868 Y C 2.602 178.776 175.900 0.456 0.000 1.154 868 Y CA 1.290 59.566 58.100 0.294 0.000 1.149 868 Y CB -0.440 38.058 38.460 0.063 0.000 0.976 868 Y HN 0.275 nan 8.280 nan 0.000 0.505 869 T N -0.459 114.355 114.554 0.435 0.000 2.665 869 T HA -0.206 4.152 4.350 0.012 0.000 0.268 869 T C 2.105 176.912 174.700 0.178 0.000 1.035 869 T CA 1.748 64.008 62.100 0.266 0.000 1.151 869 T CB -0.778 68.203 68.868 0.188 0.000 0.862 869 T HN 0.107 nan 8.240 nan 0.000 0.438 870 V N 1.216 121.233 119.914 0.172 0.000 2.343 870 V HA -0.107 4.020 4.120 0.012 0.000 0.247 870 V C 2.493 178.657 176.094 0.116 0.000 1.051 870 V CA 1.348 63.723 62.300 0.124 0.000 1.036 870 V CB -0.627 31.273 31.823 0.129 0.000 0.654 870 V HN 0.425 nan 8.190 nan 0.000 0.451 871 L N -1.025 120.298 121.223 0.166 0.000 2.012 871 L HA -0.239 4.108 4.340 0.012 0.000 0.210 871 L C 2.462 179.408 176.870 0.127 0.000 1.073 871 L CA 1.589 56.532 54.840 0.172 0.000 0.748 871 L CB -0.441 41.768 42.059 0.251 0.000 0.891 871 L HN 0.335 nan 8.230 nan 0.000 0.431 872 L N -0.404 120.844 121.223 0.042 0.000 2.017 872 L HA -0.236 4.111 4.340 0.012 0.000 0.208 872 L C 2.584 179.470 176.870 0.026 0.000 1.073 872 L CA 1.805 56.541 54.840 -0.173 0.000 0.745 872 L CB -0.622 41.080 42.059 -0.596 0.000 0.894 872 L HN 0.210 nan 8.230 nan 0.000 0.432 873 E N -0.311 119.907 120.200 0.030 0.000 2.047 873 E HA -0.237 4.120 4.350 0.012 0.000 0.191 873 E C 2.264 178.865 176.600 0.003 0.000 0.987 873 E CA 1.309 57.727 56.400 0.029 0.000 0.799 873 E CB 0.043 29.762 29.700 0.033 0.000 0.752 873 E HN 0.471 nan 8.360 nan 0.000 0.449 874 K N -0.433 119.971 120.400 0.008 0.000 1.984 874 K HA -0.105 4.223 4.320 0.012 0.000 0.209 874 K C 2.286 178.877 176.600 -0.015 0.000 1.046 874 K CA 2.066 58.338 56.287 -0.024 0.000 0.934 874 K CB -0.218 32.257 32.500 -0.041 0.000 0.717 874 K HN 0.202 nan 8.250 nan 0.000 0.438 875 T N -2.059 112.521 114.554 0.042 0.000 3.035 875 T HA -0.012 4.345 4.350 0.012 0.000 0.259 875 T C 1.556 176.322 174.700 0.109 0.000 1.078 875 T CA 0.417 62.559 62.100 0.070 0.000 1.132 875 T CB -0.035 68.903 68.868 0.116 0.000 0.900 875 T HN 0.170 nan 8.240 nan 0.000 0.480 876 F N 0.458 120.377 119.950 -0.051 0.000 2.536 876 F HA 0.473 5.007 4.527 0.012 0.000 0.278 876 F C 1.750 177.463 175.800 -0.145 0.000 0.945 876 F CA -0.483 57.475 58.000 -0.070 0.000 1.244 876 F CB -0.057 38.949 39.000 0.010 0.000 1.118 876 F HN -0.041 nan 8.300 nan 0.000 0.725 877 I N 1.086 121.572 120.570 -0.140 0.000 2.142 877 I HA -0.303 3.874 4.170 0.012 0.000 0.240 877 I C 2.460 178.320 176.117 -0.428 0.000 1.078 877 I CA 1.662 62.772 61.300 -0.316 0.000 1.343 877 I CB -0.461 37.527 38.000 -0.021 0.000 1.046 877 I HN 0.124 nan 8.210 nan 0.000 0.405 878 K N 0.399 120.641 120.400 -0.263 0.000 2.034 878 K HA -0.212 4.115 4.320 0.012 0.000 0.214 878 K C -0.487 175.880 176.600 -0.389 0.000 1.051 878 K CA 2.116 58.251 56.287 -0.253 0.000 0.931 878 K CB -0.984 31.424 32.500 -0.154 0.000 0.715 878 K HN 0.183 nan 8.250 nan 0.000 0.446 879 P HA -0.180 nan 4.420 nan 0.000 0.215 879 P C 1.286 177.784 177.300 -1.338 0.000 1.157 879 P CA 0.969 63.636 63.100 -0.720 0.000 0.868 879 P CB 0.017 31.390 31.700 -0.546 0.000 0.788 880 L N 0.476 120.993 121.223 -1.177 0.000 2.046 880 L HA -0.191 4.156 4.340 0.012 0.000 0.208 880 L C 2.322 178.708 176.870 -0.806 0.000 1.077 880 L CA 2.042 56.213 54.840 -1.116 0.000 0.747 880 L CB -1.343 40.078 42.059 -1.063 0.000 0.896 880 L HN -0.109 nan 8.230 nan 0.000 0.432 881 E N -0.392 119.402 120.200 -0.677 0.000 2.085 881 E HA -0.155 4.202 4.350 0.012 0.000 0.194 881 E C 2.122 178.569 176.600 -0.255 0.000 0.994 881 E CA 1.702 57.897 56.400 -0.343 0.000 0.801 881 E CB -0.985 28.595 29.700 -0.200 0.000 0.743 881 E HN 0.462 nan 8.360 nan 0.000 0.453 882 G N -0.578 108.020 108.800 -0.338 0.000 2.418 882 G HA2 -0.224 3.743 3.960 0.012 0.000 0.217 882 G HA3 -0.224 3.743 3.960 0.012 0.000 0.217 882 G C 1.184 176.062 174.900 -0.037 0.000 1.158 882 G CA 1.008 46.001 45.100 -0.177 0.000 0.771 882 G HN 0.277 nan 8.290 nan 0.000 0.545 883 F N 1.952 121.786 119.950 -0.195 0.000 2.113 883 F HA -0.041 4.493 4.527 0.012 0.000 0.297 883 F C 3.164 178.677 175.800 -0.478 0.000 1.103 883 F CA 1.329 59.104 58.000 -0.376 0.000 1.248 883 F CB -1.534 37.223 39.000 -0.405 0.000 0.999 883 F HN 0.251 nan 8.300 nan 0.000 0.475 884 T N -2.613 111.855 114.554 -0.144 0.000 2.821 884 T HA -0.178 4.179 4.350 0.012 0.000 0.267 884 T C 2.197 176.831 174.700 -0.110 0.000 1.046 884 T CA 1.420 63.439 62.100 -0.135 0.000 1.139 884 T CB -0.889 67.966 68.868 -0.020 0.000 0.871 884 T HN 0.282 nan 8.240 nan 0.000 0.454 885 S N 1.848 117.502 115.700 -0.077 0.000 2.368 885 S HA 0.126 4.604 4.470 0.012 0.000 0.224 885 S C 2.495 177.072 174.600 -0.038 0.000 1.029 885 S CA 1.024 59.195 58.200 -0.048 0.000 0.988 885 S CB -0.886 62.295 63.200 -0.031 0.000 0.838 885 S HN 0.724 nan 8.310 nan 0.000 0.462 886 A N 1.280 124.083 122.820 -0.028 0.000 1.933 886 A HA 0.343 4.670 4.320 0.012 0.000 0.218 886 A C 2.299 179.884 177.584 0.001 0.000 1.175 886 A CA 1.628 53.685 52.037 0.034 0.000 0.628 886 A CB -1.157 17.925 19.000 0.137 0.000 0.814 886 A HN 0.963 nan 8.150 nan 0.000 0.444 887 A N -1.335 121.415 122.820 -0.116 0.000 2.275 887 A HA 0.308 4.635 4.320 0.012 0.000 0.212 887 A C 0.719 178.249 177.584 -0.089 0.000 1.201 887 A CA 0.508 52.472 52.037 -0.121 0.000 0.843 887 A CB -0.200 18.608 19.000 -0.319 0.000 0.873 887 A HN 0.374 nan 8.150 nan 0.000 0.492 888 K N -1.338 119.017 120.400 -0.074 0.000 3.125 888 K HA -0.194 4.133 4.320 0.012 0.000 0.268 888 K C -0.449 176.114 176.600 -0.063 0.000 1.078 888 K CA 1.246 57.497 56.287 -0.061 0.000 0.775 888 K CB -2.883 29.584 32.500 -0.056 0.000 1.253 888 K HN 0.713 nan 8.250 nan 0.000 0.486 889 L N -3.431 117.748 121.223 -0.072 0.000 2.397 889 L HA 0.755 5.102 4.340 0.012 0.000 0.251 889 L C -0.670 176.162 176.870 -0.063 0.000 1.064 889 L CA -0.860 53.942 54.840 -0.063 0.000 0.859 889 L CB 1.223 43.250 42.059 -0.055 0.000 1.468 889 L HN -0.125 nan 8.230 nan 0.000 0.411 890 D N -0.515 119.841 120.400 -0.072 0.000 2.256 890 D HA 0.288 4.935 4.640 0.012 0.000 0.246 890 D C -0.253 175.980 176.300 -0.112 0.000 1.042 890 D CA -0.095 53.828 54.000 -0.128 0.000 0.841 890 D CB 1.994 42.691 40.800 -0.171 0.000 1.223 890 D HN 0.822 nan 8.370 nan 0.000 0.470 891 Y N 0.175 120.341 120.300 -0.223 0.000 2.490 891 Y HA 0.301 4.858 4.550 0.012 0.000 0.285 891 Y C 0.413 176.120 175.900 -0.323 0.000 1.117 891 Y CA -0.047 57.868 58.100 -0.307 0.000 1.262 891 Y CB 0.218 38.368 38.460 -0.517 0.000 1.043 891 Y HN 0.129 nan 8.280 nan 0.000 0.553 892 E N 2.179 121.944 120.200 -0.724 0.000 2.156 892 E HA 0.178 4.535 4.350 0.012 0.000 0.279 892 E C -0.914 175.554 176.600 -0.219 0.000 0.965 892 E CA -0.918 55.246 56.400 -0.394 0.000 0.789 892 E CB 1.195 30.615 29.700 -0.467 0.000 1.098 892 E HN 0.126 nan 8.360 nan 0.000 0.397 893 K N 3.502 123.852 120.400 -0.082 0.000 2.466 893 K HA -0.059 4.268 4.320 0.012 0.000 0.278 893 K C -0.580 175.982 176.600 -0.063 0.000 1.048 893 K CA 0.012 56.271 56.287 -0.047 0.000 1.088 893 K CB 0.253 32.757 32.500 0.006 0.000 0.884 893 K HN 0.199 nan 8.250 nan 0.000 0.478 894 K N 2.850 123.210 120.400 -0.067 0.000 2.144 894 K HA 0.371 4.698 4.320 0.012 0.000 0.270 894 K C -0.657 175.925 176.600 -0.031 0.000 1.005 894 K CA -0.670 55.580 56.287 -0.062 0.000 0.932 894 K CB 1.428 33.884 32.500 -0.072 0.000 1.021 894 K HN 0.426 nan 8.250 nan 0.000 0.462 895 A N 1.985 124.788 122.820 -0.029 0.000 2.444 895 A HA 0.341 4.668 4.320 0.012 0.000 0.273 895 A C 0.336 177.912 177.584 -0.013 0.000 1.136 895 A CA -0.215 51.811 52.037 -0.019 0.000 0.799 895 A CB -0.689 18.296 19.000 -0.025 0.000 1.081 895 A HN 0.875 nan 8.150 nan 0.000 0.509 896 S N 2.220 117.923 115.700 0.005 0.000 2.521 896 S HA 0.608 5.085 4.470 0.012 0.000 0.278 896 S C 0.695 175.300 174.600 0.008 0.000 1.140 896 S CA -0.467 57.745 58.200 0.021 0.000 1.028 896 S CB 0.351 63.590 63.200 0.065 0.000 1.203 896 S HN 0.498 nan 8.310 nan 0.000 0.491 897 L N -1.186 120.062 121.223 0.041 0.000 2.575 897 L HA 0.449 4.796 4.340 0.012 0.000 0.228 897 L C 0.252 177.167 176.870 0.074 0.000 1.075 897 L CA 0.124 54.969 54.840 0.008 0.000 0.867 897 L CB 0.108 42.173 42.059 0.009 0.000 1.097 897 L HN 0.648 nan 8.230 nan 0.000 0.485 898 F N 2.643 122.604 119.950 0.018 0.000 2.619 898 F HA 0.076 4.610 4.527 0.012 0.000 0.350 898 F C 0.791 176.646 175.800 0.093 0.000 1.259 898 F CA 0.313 58.363 58.000 0.083 0.000 1.204 898 F CB -0.257 38.773 39.000 0.051 0.000 1.556 898 F HN 0.203 nan 8.300 nan 0.000 0.650 899 D N 2.852 123.227 120.400 -0.042 0.000 1.555 899 D HA -0.080 4.567 4.640 0.012 0.000 0.725 899 D C 0.564 176.868 176.300 0.005 0.000 0.683 899 D CA -0.143 53.848 54.000 -0.014 0.000 1.214 899 D CB -0.737 40.067 40.800 0.005 0.000 1.335 899 D HN 0.436 nan 8.370 nan 0.000 0.468 900 M N 0.969 120.448 119.600 -0.203 0.000 3.102 900 M HA 0.498 4.985 4.480 0.012 0.000 0.269 900 M C -1.541 174.448 176.300 -0.518 0.000 1.551 900 M CA 0.415 55.458 55.300 -0.428 0.000 1.629 900 M CB -1.056 30.958 32.600 -0.976 0.000 1.324 900 M HN -0.118 nan 8.290 nan 0.000 0.509 901 F N 0.737 120.652 119.950 -0.059 0.000 2.588 901 F HA 0.368 4.903 4.527 0.012 0.000 0.318 901 F C -0.383 175.431 175.800 0.023 0.000 1.155 901 F CA -1.007 56.986 58.000 -0.011 0.000 0.967 901 F CB 1.531 40.471 39.000 -0.100 0.000 1.236 901 F HN 0.430 nan 8.300 nan 0.000 0.455 902 D N 2.610 123.134 120.400 0.206 0.000 2.255 902 D HA 0.375 5.022 4.640 0.012 0.000 0.249 902 D C -1.090 175.289 176.300 0.133 0.000 1.078 902 D CA 0.328 54.443 54.000 0.192 0.000 0.896 902 D CB 0.873 41.763 40.800 0.150 0.000 1.194 902 D HN 0.335 nan 8.370 nan 0.000 0.429 903 F N 0.000 119.837 119.950 -0.189 0.000 2.286 903 F HA 0.000 4.534 4.527 0.012 0.000 0.279 903 F CA 0.000 57.877 58.000 -0.205 0.000 1.383 903 F CB 0.000 38.790 39.000 -0.350 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574