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 3cfp_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 FDIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIDVYR 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 ALINGLAGAL 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 F 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 0.000 176.351 176.300 0.085 0.000 1.140 1 M CA 0.000 55.337 55.300 0.062 0.000 0.988 1 M CB 0.000 32.654 32.600 0.090 0.000 1.302 2 K N 2.363 122.812 120.400 0.082 0.000 2.489 2 K HA 0.143 4.468 4.320 0.009 0.000 0.278 2 K C -0.403 176.373 176.600 0.293 0.000 1.000 2 K CA 0.416 56.764 56.287 0.101 0.000 1.012 2 K CB 0.430 32.975 32.500 0.076 0.000 0.903 2 K HN 0.675 nan 8.250 nan 0.000 0.485 3 E N 2.214 122.623 120.200 0.349 0.000 2.383 3 E HA 0.187 4.542 4.350 0.009 0.000 0.264 3 E C -0.407 176.599 176.600 0.676 0.000 1.050 3 E CA -0.036 56.645 56.400 0.469 0.000 0.896 3 E CB 0.438 30.394 29.700 0.426 0.000 0.982 3 E HN 0.334 nan 8.360 nan 0.000 0.424 4 F N 0.023 120.172 119.950 0.331 0.000 2.608 4 F HA 0.366 4.898 4.527 0.010 0.000 0.309 4 F C -0.933 174.905 175.800 0.063 0.000 1.103 4 F CA -1.609 56.378 58.000 -0.022 0.000 0.954 4 F CB 0.326 39.141 39.000 -0.309 0.000 1.267 4 F HN 0.379 nan 8.300 nan 0.000 0.444 5 Y N 1.877 122.122 120.300 -0.091 0.000 2.379 5 Y HA 0.560 5.116 4.550 0.010 0.000 0.337 5 Y C -0.210 175.871 175.900 0.302 0.000 1.238 5 Y CA -0.844 57.352 58.100 0.159 0.000 1.405 5 Y CB 0.247 38.771 38.460 0.107 0.000 1.310 5 Y HN 0.628 nan 8.280 nan 0.000 0.569 6 L N 1.501 122.976 121.223 0.419 0.000 2.416 6 L HA 0.241 4.587 4.340 0.009 0.000 0.188 6 L C 0.799 177.917 176.870 0.413 0.000 1.145 6 L CA 1.486 56.526 54.840 0.333 0.000 0.826 6 L CB -0.901 41.279 42.059 0.202 0.000 1.064 6 L HN 1.011 nan 8.230 nan 0.000 0.490 7 T N -2.820 111.965 114.554 0.385 0.000 2.909 7 T HA 0.652 5.008 4.350 0.009 0.000 0.299 7 T C -0.952 173.918 174.700 0.284 0.000 1.073 7 T CA -0.643 61.641 62.100 0.307 0.000 0.999 7 T CB 2.269 71.272 68.868 0.226 0.000 1.098 7 T HN -0.092 nan 8.240 nan 0.000 0.477 8 V N 1.234 121.256 119.914 0.181 0.000 2.735 8 V HA 0.782 4.908 4.120 0.009 0.000 0.310 8 V C -1.590 174.584 176.094 0.134 0.000 1.061 8 V CA -0.495 61.881 62.300 0.127 0.000 0.913 8 V CB 1.830 33.668 31.823 0.024 0.000 1.005 8 V HN 1.067 nan 8.190 nan 0.000 0.428 9 E N 4.025 124.322 120.200 0.161 0.000 2.383 9 E HA 0.358 4.713 4.350 0.009 0.000 0.275 9 E C -1.580 175.127 176.600 0.179 0.000 0.918 9 E CA -0.621 55.916 56.400 0.228 0.000 0.764 9 E CB 2.521 32.481 29.700 0.433 0.000 1.252 9 E HN 0.718 nan 8.360 nan 0.000 0.449 10 Q N 2.158 122.084 119.800 0.210 0.000 2.348 10 Q HA 0.512 4.858 4.340 0.009 0.000 0.265 10 Q C -1.117 174.966 176.000 0.137 0.000 0.998 10 Q CA -0.467 55.435 55.803 0.165 0.000 0.831 10 Q CB 0.760 29.605 28.738 0.178 0.000 1.251 10 Q HN 0.499 nan 8.270 nan 0.000 0.456 11 I N 4.284 124.899 120.570 0.075 0.000 2.439 11 I HA 0.404 4.580 4.170 0.009 0.000 0.285 11 I C 0.829 176.952 176.117 0.009 0.000 1.021 11 I CA -0.312 60.956 61.300 -0.054 0.000 1.091 11 I CB 1.566 39.429 38.000 -0.228 0.000 1.242 11 I HN 0.976 nan 8.210 nan 0.000 0.439 12 G N 5.534 114.329 108.800 -0.008 0.000 2.651 12 G HA2 -0.299 3.667 3.960 0.009 0.000 0.315 12 G HA3 -0.299 3.667 3.960 0.009 0.000 0.315 12 G C 0.389 175.298 174.900 0.016 0.000 1.258 12 G CA 0.507 45.608 45.100 0.003 0.000 1.002 12 G HN 0.624 nan 8.290 nan 0.000 0.551 13 D N 1.558 121.963 120.400 0.009 0.000 2.336 13 D HA 0.343 4.989 4.640 0.009 0.000 0.228 13 D C 0.921 177.225 176.300 0.007 0.000 1.120 13 D CA 1.052 55.045 54.000 -0.011 0.000 0.839 13 D CB 0.062 40.846 40.800 -0.028 0.000 0.932 13 D HN 0.670 nan 8.370 nan 0.000 0.509 14 S N -0.331 115.397 115.700 0.046 0.000 2.526 14 S HA 0.589 5.065 4.470 0.009 0.000 0.293 14 S C -0.300 174.342 174.600 0.071 0.000 1.092 14 S CA -0.852 57.371 58.200 0.039 0.000 0.980 14 S CB 2.209 65.437 63.200 0.045 0.000 1.048 14 S HN -0.015 nan 8.310 nan 0.000 0.483 15 I N 2.535 123.063 120.570 -0.070 0.000 2.321 15 I HA 0.365 4.541 4.170 0.009 0.000 0.291 15 I C -1.181 174.788 176.117 -0.246 0.000 0.998 15 I CA -0.639 60.562 61.300 -0.164 0.000 1.227 15 I CB 0.777 38.497 38.000 -0.467 0.000 1.368 15 I HN 0.626 nan 8.210 nan 0.000 0.466 16 F N 5.795 125.588 119.950 -0.261 0.000 2.404 16 F HA 0.369 4.902 4.527 0.009 0.000 0.354 16 F C 0.444 176.161 175.800 -0.138 0.000 1.122 16 F CA -0.335 57.475 58.000 -0.317 0.000 1.080 16 F CB 1.078 39.617 39.000 -0.769 0.000 1.131 16 F HN 0.404 nan 8.300 nan 0.000 0.471 17 E N 4.878 125.130 120.200 0.087 0.000 2.256 17 E HA 0.426 4.781 4.350 0.009 0.000 0.268 17 E C -1.105 175.722 176.600 0.379 0.000 0.877 17 E CA -0.911 55.632 56.400 0.239 0.000 0.757 17 E CB 1.356 31.184 29.700 0.213 0.000 1.183 17 E HN 0.632 nan 8.360 nan 0.000 0.418 18 R N 2.826 123.566 120.500 0.401 0.000 2.474 18 R HA 0.453 4.798 4.340 0.009 0.000 0.295 18 R C -0.926 175.620 176.300 0.411 0.000 0.980 18 R CA -0.525 55.778 56.100 0.339 0.000 0.934 18 R CB 0.988 31.425 30.300 0.228 0.000 1.101 18 R HN 0.471 nan 8.270 nan 0.000 0.469 19 Y N -0.790 119.575 120.300 0.108 0.000 2.689 19 Y HA 0.521 5.077 4.550 0.009 0.000 0.333 19 Y C -1.509 174.314 175.900 -0.128 0.000 1.208 19 Y CA -1.595 56.526 58.100 0.036 0.000 1.055 19 Y CB 1.035 39.604 38.460 0.181 0.000 1.304 19 Y HN 0.200 nan 8.280 nan 0.000 0.455 20 I N 3.544 123.903 120.570 -0.351 0.000 2.336 20 I HA 0.224 4.399 4.170 0.009 0.000 0.292 20 I C -0.344 175.688 176.117 -0.142 0.000 0.991 20 I CA -0.526 60.481 61.300 -0.489 0.000 1.227 20 I CB 0.867 38.276 38.000 -0.985 0.000 1.366 20 I HN 0.870 nan 8.210 nan 0.000 0.466 21 D N 3.756 124.089 120.400 -0.111 0.000 2.478 21 D HA 0.092 4.738 4.640 0.009 0.000 0.274 21 D C 1.001 177.361 176.300 0.100 0.000 1.234 21 D CA -0.469 53.605 54.000 0.123 0.000 1.069 21 D CB 0.293 41.149 40.800 0.093 0.000 1.113 21 D HN 0.413 nan 8.370 nan 0.000 0.571 22 S N -1.613 114.158 115.700 0.118 0.000 2.595 22 S HA -0.061 4.415 4.470 0.009 0.000 0.235 22 S C 0.568 175.202 174.600 0.057 0.000 0.974 22 S CA 0.007 58.260 58.200 0.089 0.000 0.942 22 S CB -0.647 62.596 63.200 0.073 0.000 0.766 22 S HN 0.478 nan 8.310 nan 0.000 0.536 23 N N 0.583 119.307 118.700 0.039 0.000 2.197 23 N HA 0.214 4.960 4.740 0.009 0.000 0.228 23 N C 0.868 176.385 175.510 0.012 0.000 1.212 23 N CA 0.572 53.635 53.050 0.022 0.000 0.883 23 N CB 1.038 39.532 38.487 0.011 0.000 1.107 23 N HN 0.580 nan 8.380 nan 0.000 0.519 24 G N 1.659 110.467 108.800 0.013 0.000 2.160 24 G HA2 -0.289 3.677 3.960 0.009 0.000 0.251 24 G HA3 -0.289 3.677 3.960 0.009 0.000 0.251 24 G C 0.137 175.009 174.900 -0.048 0.000 1.008 24 G CA 0.114 45.216 45.100 0.003 0.000 0.724 24 G HN 0.231 nan 8.290 nan 0.000 0.514 25 R N 0.396 120.845 120.500 -0.085 0.000 2.407 25 R HA 0.563 4.909 4.340 0.009 0.000 0.303 25 R C 0.242 176.420 176.300 -0.203 0.000 0.981 25 R CA -0.658 55.373 56.100 -0.114 0.000 0.905 25 R CB 0.763 31.007 30.300 -0.093 0.000 1.099 25 R HN 0.380 nan 8.270 nan 0.000 0.459 26 E N 3.436 123.524 120.200 -0.186 0.000 2.290 26 E HA 0.131 4.487 4.350 0.009 0.000 0.277 26 E C -0.610 175.828 176.600 -0.270 0.000 1.035 26 E CA -0.251 56.007 56.400 -0.237 0.000 0.873 26 E CB 0.513 30.122 29.700 -0.153 0.000 1.029 26 E HN 0.300 nan 8.360 nan 0.000 0.419 27 R N 2.788 123.025 120.500 -0.440 0.000 2.771 27 R HA 0.448 4.794 4.340 0.009 0.000 0.274 27 R C -0.910 175.273 176.300 -0.195 0.000 0.987 27 R CA -0.814 55.054 56.100 -0.386 0.000 0.908 27 R CB 2.053 31.976 30.300 -0.628 0.000 1.213 27 R HN 0.452 nan 8.270 nan 0.000 0.468 28 T N 2.272 116.839 114.554 0.022 0.000 2.885 28 T HA 0.643 4.998 4.350 0.009 0.000 0.285 28 T C -0.340 174.467 174.700 0.179 0.000 1.019 28 T CA -0.963 61.244 62.100 0.177 0.000 1.010 28 T CB 1.863 70.861 68.868 0.217 0.000 1.022 28 T HN 0.603 nan 8.240 nan 0.000 0.466 29 R N 0.859 121.453 120.500 0.156 0.000 2.668 29 R HA 0.575 4.921 4.340 0.009 0.000 0.272 29 R C -1.429 174.723 176.300 -0.247 0.000 1.019 29 R CA -1.016 55.087 56.100 0.006 0.000 0.894 29 R CB 1.939 32.288 30.300 0.082 0.000 1.228 29 R HN 0.661 nan 8.270 nan 0.000 0.460 30 E N 2.742 122.679 120.200 -0.439 0.000 2.156 30 E HA 0.380 4.735 4.350 0.009 0.000 0.279 30 E C -1.299 175.068 176.600 -0.389 0.000 0.965 30 E CA -0.847 55.080 56.400 -0.788 0.000 0.789 30 E CB 1.865 30.885 29.700 -1.134 0.000 1.098 30 E HN 0.409 nan 8.360 nan 0.000 0.397 31 V N 4.510 124.232 119.914 -0.320 0.000 2.487 31 V HA 0.160 4.285 4.120 0.009 0.000 0.298 31 V C -0.313 175.735 176.094 -0.075 0.000 1.028 31 V CA -0.784 61.435 62.300 -0.134 0.000 0.860 31 V CB 1.684 33.484 31.823 -0.038 0.000 0.991 31 V HN 0.788 nan 8.190 nan 0.000 0.427 32 E N 3.808 123.990 120.200 -0.029 0.000 1.999 32 E HA 0.084 4.440 4.350 0.009 0.000 0.296 32 E C -0.707 175.924 176.600 0.052 0.000 1.187 32 E CA -0.205 56.192 56.400 -0.004 0.000 1.229 32 E CB 0.001 29.687 29.700 -0.023 0.000 1.131 32 E HN 0.571 nan 8.360 nan 0.000 0.478 33 Y N 1.985 122.251 120.300 -0.057 0.000 2.610 33 Y HA -0.029 4.527 4.550 0.010 0.000 0.332 33 Y C -0.102 175.777 175.900 -0.034 0.000 1.201 33 Y CA -0.140 57.957 58.100 -0.006 0.000 1.465 33 Y CB 0.469 38.944 38.460 0.024 0.000 1.283 33 Y HN 0.047 nan 8.280 nan 0.000 0.563 34 K N 8.903 129.000 120.400 -0.505 0.000 2.354 34 K HA 0.307 4.632 4.320 0.009 0.000 0.257 34 K C -2.523 173.636 176.600 -0.734 0.000 1.062 34 K CA -1.855 54.147 56.287 -0.476 0.000 0.971 34 K CB 0.646 33.002 32.500 -0.239 0.000 1.305 34 K HN 0.458 nan 8.250 nan 0.000 0.449 35 P HA 0.149 nan 4.420 nan 0.000 0.278 35 P C -0.733 176.505 177.300 -0.103 0.000 1.258 35 P CA -0.686 62.138 63.100 -0.459 0.000 0.811 35 P CB 1.394 32.845 31.700 -0.414 0.000 1.063 36 S N 0.314 116.014 115.700 -0.001 0.000 2.672 36 S HA 0.617 5.093 4.470 0.009 0.000 0.291 36 S C -0.650 173.876 174.600 -0.122 0.000 1.145 36 S CA -0.562 57.547 58.200 -0.151 0.000 1.013 36 S CB -0.149 62.908 63.200 -0.239 0.000 1.017 36 S HN 0.265 nan 8.310 nan 0.000 0.487 37 L N 3.033 124.126 121.223 -0.216 0.000 2.267 37 L HA 0.814 5.160 4.340 0.009 0.000 0.264 37 L C -1.318 175.170 176.870 -0.637 0.000 1.021 37 L CA -0.940 53.831 54.840 -0.116 0.000 0.861 37 L CB 1.164 43.366 42.059 0.239 0.000 1.443 37 L HN 0.556 nan 8.230 nan 0.000 0.475 38 F N -0.254 119.707 119.950 0.018 0.000 2.591 38 F HA 0.734 5.267 4.527 0.009 0.000 0.309 38 F C -0.207 175.687 175.800 0.157 0.000 1.098 38 F CA -0.611 57.385 58.000 -0.007 0.000 0.937 38 F CB 2.032 41.014 39.000 -0.029 0.000 1.250 38 F HN 0.336 nan 8.300 nan 0.000 0.447 39 A N 1.061 124.049 122.820 0.280 0.000 2.435 39 A HA 0.671 4.996 4.320 0.009 0.000 0.304 39 A C -1.335 176.344 177.584 0.158 0.000 1.064 39 A CA -0.720 51.461 52.037 0.239 0.000 0.727 39 A CB 0.596 19.820 19.000 0.374 0.000 1.284 39 A HN 0.912 nan 8.150 nan 0.000 0.415 40 H N -0.436 118.742 119.070 0.179 0.000 2.897 40 H HA 0.342 4.904 4.556 0.009 0.000 0.347 40 H C 0.507 175.896 175.328 0.100 0.000 1.068 40 H CA 1.067 57.191 56.048 0.126 0.000 1.426 40 H CB 0.429 30.257 29.762 0.110 0.000 1.410 40 H HN 0.919 nan 8.280 nan 0.000 0.597 41 C N 1.964 121.392 119.300 0.213 0.000 3.236 41 C HA 0.533 4.998 4.460 0.009 0.000 0.312 41 C C -2.546 172.498 174.990 0.090 0.000 1.374 41 C CA -2.300 56.793 59.018 0.125 0.000 1.455 41 C CB 1.276 29.070 27.740 0.088 0.000 1.834 41 C HN 0.583 nan 8.230 nan 0.000 0.460 42 P HA 0.144 nan 4.420 nan 0.000 0.267 42 P C 0.730 178.064 177.300 0.057 0.000 1.200 42 P CA 0.547 63.680 63.100 0.055 0.000 0.772 42 P CB 0.611 32.338 31.700 0.045 0.000 0.855 43 E N 1.402 121.639 120.200 0.061 0.000 2.097 43 E HA -0.153 4.203 4.350 0.009 0.000 0.196 43 E C 1.845 178.493 176.600 0.080 0.000 1.000 43 E CA 1.717 58.167 56.400 0.082 0.000 0.804 43 E CB -0.842 28.902 29.700 0.073 0.000 0.740 43 E HN 0.505 nan 8.360 nan 0.000 0.454 44 S N 1.351 117.086 115.700 0.058 0.000 2.359 44 S HA -0.174 4.301 4.470 0.009 0.000 0.224 44 S C 1.315 175.944 174.600 0.049 0.000 1.035 44 S CA 0.668 58.898 58.200 0.050 0.000 1.018 44 S CB -0.286 62.937 63.200 0.038 0.000 0.876 44 S HN 0.202 nan 8.310 nan 0.000 0.448 45 Q N 2.054 121.879 119.800 0.042 0.000 2.242 45 Q HA 0.249 4.594 4.340 0.009 0.000 0.284 45 Q C -0.608 175.409 176.000 0.028 0.000 1.130 45 Q CA 0.037 55.859 55.803 0.032 0.000 0.940 45 Q CB 0.163 28.919 28.738 0.029 0.000 1.146 45 Q HN 0.445 nan 8.270 nan 0.000 0.388 46 A N 4.372 127.211 122.820 0.031 0.000 2.260 46 A HA 0.523 4.849 4.320 0.009 0.000 0.312 46 A C 0.304 177.896 177.584 0.013 0.000 1.321 46 A CA -0.131 51.931 52.037 0.041 0.000 0.928 46 A CB 0.437 19.470 19.000 0.056 0.000 1.158 46 A HN 0.768 nan 8.150 nan 0.000 0.542 47 T N -0.799 113.736 114.554 -0.031 0.000 2.645 47 T HA 0.539 4.895 4.350 0.009 0.000 0.273 47 T C 0.432 175.087 174.700 -0.076 0.000 0.960 47 T CA -0.077 61.995 62.100 -0.046 0.000 1.051 47 T CB 1.236 70.104 68.868 0.001 0.000 1.366 47 T HN 0.567 nan 8.240 nan 0.000 0.536 48 K N -0.585 119.706 120.400 -0.181 0.000 2.387 48 K HA 0.229 4.555 4.320 0.009 0.000 0.203 48 K C -1.077 175.346 176.600 -0.296 0.000 1.030 48 K CA -0.616 55.553 56.287 -0.197 0.000 1.099 48 K CB 0.074 32.418 32.500 -0.261 0.000 0.863 48 K HN 0.621 nan 8.250 nan 0.000 0.529 49 Y N 0.786 121.051 120.300 -0.058 0.000 2.342 49 Y HA 0.426 4.981 4.550 0.009 0.000 0.338 49 Y C -0.660 175.057 175.900 -0.304 0.000 0.965 49 Y CA -1.176 56.885 58.100 -0.065 0.000 1.159 49 Y CB 0.855 39.345 38.460 0.050 0.000 1.157 49 Y HN -0.129 nan 8.280 nan 0.000 0.486 50 F N 2.082 122.109 119.950 0.129 0.000 2.551 50 F HA 0.284 4.816 4.527 0.009 0.000 0.316 50 F C 0.168 176.002 175.800 0.056 0.000 1.089 50 F CA -1.332 56.727 58.000 0.099 0.000 0.915 50 F CB 1.343 40.380 39.000 0.061 0.000 1.186 50 F HN 0.512 nan 8.300 nan 0.000 0.456 51 D N 1.763 122.322 120.400 0.265 0.000 2.393 51 D HA 0.006 4.652 4.640 0.009 0.000 0.246 51 D C 1.327 177.679 176.300 0.086 0.000 1.275 51 D CA -0.204 53.901 54.000 0.175 0.000 0.979 51 D CB 0.401 41.385 40.800 0.307 0.000 1.101 51 D HN 0.638 nan 8.370 nan 0.000 0.505 52 I N -2.660 117.847 120.570 -0.104 0.000 2.614 52 I HA -0.155 4.020 4.170 0.009 0.000 0.258 52 I C 1.191 177.099 176.117 -0.348 0.000 1.189 52 I CA 0.722 61.847 61.300 -0.291 0.000 1.462 52 I CB -0.519 37.237 38.000 -0.407 0.000 1.092 52 I HN 0.243 nan 8.210 nan 0.000 0.442 53 Y N 2.007 122.373 120.300 0.110 0.000 2.517 53 Y HA 0.369 4.925 4.550 0.009 0.000 0.281 53 Y C 2.041 177.977 175.900 0.059 0.000 1.125 53 Y CA 0.481 58.627 58.100 0.077 0.000 1.283 53 Y CB 0.180 38.684 38.460 0.074 0.000 1.042 53 Y HN 0.381 nan 8.280 nan 0.000 0.547 54 G N -0.364 108.550 108.800 0.190 0.000 2.168 54 G HA2 -0.194 3.772 3.960 0.009 0.000 0.197 54 G HA3 -0.194 3.772 3.960 0.009 0.000 0.197 54 G C -0.036 175.052 174.900 0.313 0.000 0.997 54 G CA -0.682 44.503 45.100 0.142 0.000 0.658 54 G HN 0.051 nan 8.290 nan 0.000 0.513 55 K N 1.157 121.750 120.400 0.323 0.000 2.249 55 K HA 0.435 4.761 4.320 0.009 0.000 0.280 55 K C -2.570 174.240 176.600 0.348 0.000 1.033 55 K CA -1.707 54.736 56.287 0.261 0.000 0.946 55 K CB 1.380 33.898 32.500 0.030 0.000 1.005 55 K HN 0.124 nan 8.250 nan 0.000 0.469 56 P HA 0.198 nan 4.420 nan 0.000 0.279 56 P C -0.607 176.711 177.300 0.031 0.000 1.239 56 P CA -0.461 62.561 63.100 -0.129 0.000 0.789 56 P CB 0.668 32.306 31.700 -0.104 0.000 0.933 57 C N 1.150 120.426 119.300 -0.039 0.000 2.614 57 C HA 0.694 5.160 4.460 0.009 0.000 0.320 57 C C 0.375 175.461 174.990 0.159 0.000 1.200 57 C CA -0.187 58.923 59.018 0.155 0.000 1.700 57 C CB 1.846 29.716 27.740 0.217 0.000 2.275 57 C HN 0.500 nan 8.230 nan 0.000 0.492 58 T N 1.360 116.013 114.554 0.165 0.000 2.824 58 T HA 0.428 4.784 4.350 0.009 0.000 0.280 58 T C -0.296 174.372 174.700 -0.054 0.000 0.995 58 T CA -0.393 61.758 62.100 0.084 0.000 1.009 58 T CB 0.438 69.319 68.868 0.022 0.000 0.955 58 T HN 0.735 nan 8.240 nan 0.000 0.452 59 R N 3.497 123.867 120.500 -0.217 0.000 2.390 59 R HA 0.387 4.733 4.340 0.009 0.000 0.291 59 R C -0.650 175.265 176.300 -0.643 0.000 1.070 59 R CA -0.310 55.338 56.100 -0.753 0.000 1.014 59 R CB 0.385 30.234 30.300 -0.752 0.000 1.007 59 R HN 0.575 nan 8.270 nan 0.000 0.466 60 K N 5.071 124.956 120.400 -0.858 0.000 2.535 60 K HA 0.273 4.599 4.320 0.009 0.000 0.253 60 K C -0.908 175.046 176.600 -1.076 0.000 0.953 60 K CA -0.706 55.025 56.287 -0.928 0.000 0.863 60 K CB 1.713 33.521 32.500 -1.153 0.000 1.111 60 K HN 0.352 nan 8.250 nan 0.000 0.431 61 L N 4.453 125.169 121.223 -0.844 0.000 2.326 61 L HA 0.463 4.808 4.340 0.009 0.000 0.278 61 L C -1.131 175.240 176.870 -0.831 0.000 1.092 61 L CA -0.058 54.386 54.840 -0.660 0.000 0.810 61 L CB 0.229 42.050 42.059 -0.397 0.000 1.153 61 L HN 0.522 nan 8.230 nan 0.000 0.439 62 F N 2.465 122.221 119.950 -0.324 0.000 2.480 62 F HA 0.417 4.949 4.527 0.009 0.000 0.329 62 F C 1.103 176.756 175.800 -0.246 0.000 1.091 62 F CA -0.579 57.251 58.000 -0.284 0.000 0.972 62 F CB 1.776 40.595 39.000 -0.303 0.000 1.150 62 F HN 0.618 nan 8.300 nan 0.000 0.467 63 A N 2.448 125.258 122.820 -0.017 0.000 2.015 63 A HA -0.031 4.295 4.320 0.009 0.000 0.219 63 A C 0.320 177.864 177.584 -0.068 0.000 1.163 63 A CA 1.629 53.632 52.037 -0.058 0.000 0.646 63 A CB -0.899 18.074 19.000 -0.045 0.000 0.806 63 A HN 0.878 nan 8.150 nan 0.000 0.448 64 N N -4.444 114.215 118.700 -0.069 0.000 2.934 64 N HA 0.454 5.200 4.740 0.009 0.000 0.253 64 N C -0.058 175.328 175.510 -0.208 0.000 1.466 64 N CA -0.638 52.343 53.050 -0.114 0.000 0.858 64 N CB 0.452 38.893 38.487 -0.076 0.000 1.459 64 N HN -0.088 nan 8.380 nan 0.000 0.532 65 M N -0.747 118.697 119.600 -0.260 0.000 2.254 65 M HA 0.045 4.530 4.480 0.009 0.000 0.265 65 M C 1.944 178.020 176.300 -0.373 0.000 1.066 65 M CA 1.102 56.114 55.300 -0.481 0.000 1.123 65 M CB -0.170 32.188 32.600 -0.403 0.000 1.388 65 M HN 0.660 nan 8.290 nan 0.000 0.425 66 R N 1.117 121.507 120.500 -0.183 0.000 2.083 66 R HA -0.164 4.181 4.340 0.009 0.000 0.237 66 R C 1.360 177.581 176.300 -0.132 0.000 1.137 66 R CA 2.055 58.091 56.100 -0.107 0.000 0.951 66 R CB -0.732 29.536 30.300 -0.054 0.000 0.851 66 R HN 0.219 nan 8.270 nan 0.000 0.434 67 D N -0.038 120.278 120.400 -0.139 0.000 2.133 67 D HA -0.177 4.468 4.640 0.009 0.000 0.195 67 D C 1.672 177.739 176.300 -0.389 0.000 0.997 67 D CA 1.944 55.878 54.000 -0.109 0.000 0.840 67 D CB -0.438 40.385 40.800 0.039 0.000 0.947 67 D HN 0.422 nan 8.370 nan 0.000 0.452 68 A N 0.013 122.371 122.820 -0.771 0.000 1.902 68 A HA -0.147 4.179 4.320 0.009 0.000 0.217 68 A C 2.438 179.797 177.584 -0.375 0.000 1.181 68 A CA 1.868 53.137 52.037 -1.280 0.000 0.623 68 A CB -0.588 17.769 19.000 -1.072 0.000 0.818 68 A HN 0.163 nan 8.150 nan 0.000 0.443 69 S N -0.642 114.992 115.700 -0.110 0.000 2.355 69 S HA -0.173 4.303 4.470 0.009 0.000 0.222 69 S C 2.157 176.770 174.600 0.022 0.000 1.031 69 S CA 1.379 59.619 58.200 0.066 0.000 0.993 69 S CB -0.312 62.953 63.200 0.109 0.000 0.859 69 S HN 0.665 nan 8.310 nan 0.000 0.453 70 Q N -0.837 118.960 119.800 -0.004 0.000 2.096 70 Q HA -0.215 4.131 4.340 0.009 0.000 0.204 70 Q C 1.916 177.953 176.000 0.062 0.000 0.982 70 Q CA 1.701 57.518 55.803 0.022 0.000 0.850 70 Q CB -0.229 28.526 28.738 0.028 0.000 0.901 70 Q HN 0.710 nan 8.270 nan 0.000 0.422 71 W N 1.232 122.465 121.300 -0.112 0.000 2.355 71 W HA -0.181 4.485 4.660 0.009 0.000 0.309 71 W C 1.703 178.206 176.519 -0.026 0.000 1.206 71 W CA 1.370 58.691 57.345 -0.040 0.000 1.284 71 W CB -0.331 29.127 29.460 -0.003 0.000 1.145 71 W HN 0.018 nan 8.180 nan 0.000 0.502 72 I N 0.816 121.406 120.570 0.033 0.000 2.145 72 I HA -0.420 3.756 4.170 0.009 0.000 0.244 72 I C 2.763 178.766 176.117 -0.191 0.000 1.075 72 I CA 1.719 62.947 61.300 -0.120 0.000 1.332 72 I CB -0.779 37.238 38.000 0.029 0.000 1.033 72 I HN -0.064 nan 8.210 nan 0.000 0.410 73 K N 1.090 121.426 120.400 -0.105 0.000 2.002 73 K HA -0.162 4.164 4.320 0.009 0.000 0.209 73 K C 2.240 178.759 176.600 -0.134 0.000 1.048 73 K CA 1.608 57.840 56.287 -0.093 0.000 0.930 73 K CB -0.261 32.212 32.500 -0.045 0.000 0.714 73 K HN 0.273 nan 8.250 nan 0.000 0.438 74 R N -0.191 120.219 120.500 -0.151 0.000 2.127 74 R HA -0.087 4.259 4.340 0.009 0.000 0.238 74 R C 2.278 178.424 176.300 -0.256 0.000 1.134 74 R CA 1.256 57.256 56.100 -0.166 0.000 0.975 74 R CB -0.151 30.075 30.300 -0.123 0.000 0.865 74 R HN 0.241 nan 8.270 nan 0.000 0.447 75 M N 0.257 119.602 119.600 -0.425 0.000 2.254 75 M HA -0.081 4.405 4.480 0.009 0.000 0.265 75 M C 1.749 177.893 176.300 -0.259 0.000 1.066 75 M CA 1.474 56.505 55.300 -0.449 0.000 1.123 75 M CB -0.443 31.701 32.600 -0.760 0.000 1.388 75 M HN 0.160 nan 8.290 nan 0.000 0.425 76 E N 0.227 120.301 120.200 -0.210 0.000 2.072 76 E HA -0.166 4.190 4.350 0.009 0.000 0.190 76 E C 1.161 177.697 176.600 -0.106 0.000 0.982 76 E CA 0.830 57.149 56.400 -0.135 0.000 0.803 76 E CB -0.199 29.435 29.700 -0.110 0.000 0.755 76 E HN 0.427 nan 8.360 nan 0.000 0.453 77 D N 0.330 120.666 120.400 -0.106 0.000 2.389 77 D HA -0.077 4.568 4.640 0.009 0.000 0.221 77 D C 1.521 177.775 176.300 -0.076 0.000 0.974 77 D CA 0.814 54.767 54.000 -0.079 0.000 0.923 77 D CB 0.116 40.873 40.800 -0.072 0.000 0.892 77 D HN 0.270 nan 8.370 nan 0.000 0.518 78 I N -1.958 118.555 120.570 -0.095 0.000 3.812 78 I HA 0.155 4.330 4.170 0.009 0.000 0.292 78 I C 1.490 177.568 176.117 -0.065 0.000 1.206 78 I CA 0.462 61.716 61.300 -0.077 0.000 1.370 78 I CB 0.757 38.703 38.000 -0.090 0.000 1.328 78 I HN 0.050 nan 8.210 nan 0.000 0.453 79 G N 1.715 110.467 108.800 -0.080 0.000 2.143 79 G HA2 -0.137 3.829 3.960 0.009 0.000 0.175 79 G HA3 -0.137 3.829 3.960 0.009 0.000 0.175 79 G C -0.129 174.741 174.900 -0.050 0.000 1.004 79 G CA -0.526 44.538 45.100 -0.061 0.000 0.671 79 G HN 0.139 nan 8.290 nan 0.000 0.512 80 L N 0.520 121.701 121.223 -0.070 0.000 2.334 80 L HA 0.567 4.913 4.340 0.009 0.000 0.276 80 L C 0.723 177.546 176.870 -0.079 0.000 1.014 80 L CA -1.003 53.812 54.840 -0.042 0.000 0.815 80 L CB 1.792 43.836 42.059 -0.025 0.000 1.268 80 L HN 0.221 nan 8.230 nan 0.000 0.428 81 E N 1.719 121.899 120.200 -0.033 0.000 2.480 81 E HA 0.159 4.515 4.350 0.009 0.000 0.258 81 E C -0.539 176.005 176.600 -0.095 0.000 0.984 81 E CA -0.252 56.114 56.400 -0.056 0.000 0.930 81 E CB 0.792 30.481 29.700 -0.019 0.000 0.936 81 E HN 0.615 nan 8.360 nan 0.000 0.466 82 A N 5.871 128.637 122.820 -0.091 0.000 2.322 82 A HA 0.380 4.706 4.320 0.009 0.000 0.327 82 A C -0.934 176.732 177.584 0.138 0.000 1.394 82 A CA -0.621 51.399 52.037 -0.028 0.000 0.921 82 A CB 0.184 19.053 19.000 -0.219 0.000 1.153 82 A HN 0.503 nan 8.150 nan 0.000 0.523 83 L N 2.074 123.437 121.223 0.234 0.000 2.360 83 L HA 0.868 5.214 4.340 0.009 0.000 0.271 83 L C 0.876 177.932 176.870 0.309 0.000 1.057 83 L CA 0.825 55.781 54.840 0.192 0.000 0.803 83 L CB 1.436 43.566 42.059 0.117 0.000 1.207 83 L HN 1.141 nan 8.230 nan 0.000 0.445 84 G N 1.827 110.747 108.800 0.200 0.000 2.381 84 G HA2 0.101 4.067 3.960 0.009 0.000 0.672 84 G HA3 0.101 4.067 3.960 0.009 0.000 0.672 84 G C -1.153 173.762 174.900 0.025 0.000 1.324 84 G CA -0.912 44.321 45.100 0.221 0.000 0.975 84 G HN 0.531 nan 8.290 nan 0.000 0.593 85 M N 2.122 121.650 119.600 -0.119 0.000 2.350 85 M HA 0.318 4.804 4.480 0.009 0.000 0.338 85 M C 1.417 177.548 176.300 -0.281 0.000 1.559 85 M CA -0.569 54.498 55.300 -0.389 0.000 1.217 85 M CB 0.219 32.225 32.600 -0.990 0.000 1.808 85 M HN 0.591 nan 8.290 nan 0.000 0.458 86 D N 1.799 121.999 120.400 -0.334 0.000 2.249 86 D HA -0.070 4.576 4.640 0.009 0.000 0.205 86 D C -0.011 175.687 176.300 -1.004 0.000 0.962 86 D CA 0.484 54.153 54.000 -0.551 0.000 0.860 86 D CB -0.468 40.158 40.800 -0.290 0.000 0.955 86 D HN 0.575 nan 8.370 nan 0.000 0.505 87 D N -0.012 120.036 120.400 -0.585 0.000 2.359 87 D HA -0.020 4.626 4.640 0.009 0.000 0.250 87 D C 0.186 176.274 176.300 -0.354 0.000 1.264 87 D CA -0.474 53.260 54.000 -0.445 0.000 0.911 87 D CB 0.105 40.783 40.800 -0.204 0.000 1.056 87 D HN -0.081 nan 8.370 nan 0.000 0.499 88 F N 2.862 122.856 119.950 0.074 0.000 2.407 88 F HA 0.019 4.552 4.527 0.009 0.000 0.299 88 F C 2.251 178.132 175.800 0.135 0.000 1.097 88 F CA 0.400 58.503 58.000 0.172 0.000 1.422 88 F CB -0.236 38.908 39.000 0.239 0.000 1.067 88 F HN 0.296 nan 8.300 nan 0.000 0.539 89 K N 0.596 121.102 120.400 0.178 0.000 2.026 89 K HA -0.132 4.194 4.320 0.009 0.000 0.208 89 K C 2.021 178.689 176.600 0.114 0.000 1.048 89 K CA 1.375 57.722 56.287 0.099 0.000 0.929 89 K CB -0.497 32.034 32.500 0.051 0.000 0.713 89 K HN 0.298 nan 8.250 nan 0.000 0.439 90 L N 0.417 121.699 121.223 0.099 0.000 2.083 90 L HA -0.153 4.192 4.340 0.009 0.000 0.209 90 L C 2.643 179.698 176.870 0.307 0.000 1.083 90 L CA 1.117 56.050 54.840 0.155 0.000 0.752 90 L CB -0.729 41.399 42.059 0.116 0.000 0.899 90 L HN 0.209 nan 8.230 nan 0.000 0.433 91 A N -0.452 122.544 122.820 0.294 0.000 1.898 91 A HA -0.268 4.058 4.320 0.009 0.000 0.216 91 A C 2.221 179.998 177.584 0.322 0.000 1.181 91 A CA 1.359 53.675 52.037 0.465 0.000 0.620 91 A CB -0.864 18.422 19.000 0.477 0.000 0.819 91 A HN 0.461 nan 8.150 nan 0.000 0.442 92 Y N 0.615 120.866 120.300 -0.082 0.000 2.128 92 Y HA -0.218 4.337 4.550 0.009 0.000 0.284 92 Y C 1.998 177.803 175.900 -0.158 0.000 1.154 92 Y CA 2.005 59.809 58.100 -0.494 0.000 1.149 92 Y CB -0.303 37.675 38.460 -0.803 0.000 0.976 92 Y HN 0.214 nan 8.280 nan 0.000 0.505 93 L N -0.816 120.403 121.223 -0.005 0.000 2.012 93 L HA -0.282 4.064 4.340 0.009 0.000 0.210 93 L C 2.842 179.731 176.870 0.032 0.000 1.073 93 L CA 1.771 56.610 54.840 -0.001 0.000 0.748 93 L CB -0.968 41.050 42.059 -0.069 0.000 0.891 93 L HN 0.272 nan 8.230 nan 0.000 0.431 94 S N -0.427 115.316 115.700 0.072 0.000 2.370 94 S HA -0.216 4.260 4.470 0.009 0.000 0.226 94 S C 1.587 176.172 174.600 -0.023 0.000 1.033 94 S CA 1.797 60.017 58.200 0.034 0.000 1.011 94 S CB -0.185 63.063 63.200 0.081 0.000 0.852 94 S HN 0.400 nan 8.310 nan 0.000 0.457 95 D N 0.550 120.932 120.400 -0.031 0.000 2.084 95 D HA -0.026 4.620 4.640 0.009 0.000 0.196 95 D C 2.105 178.269 176.300 -0.227 0.000 0.985 95 D CA 1.698 55.660 54.000 -0.064 0.000 0.826 95 D CB -0.968 39.850 40.800 0.031 0.000 0.978 95 D HN 0.430 nan 8.370 nan 0.000 0.456 96 T N -0.745 113.521 114.554 -0.480 0.000 3.007 96 T HA -0.124 4.232 4.350 0.009 0.000 0.270 96 T C 0.338 174.508 174.700 -0.883 0.000 1.107 96 T CA 0.784 62.438 62.100 -0.743 0.000 1.118 96 T CB -0.156 68.028 68.868 -1.140 0.000 0.889 96 T HN 0.205 nan 8.240 nan 0.000 0.506 97 Y N 0.938 121.087 120.300 -0.251 0.000 2.511 97 Y HA 0.366 4.921 4.550 0.010 0.000 0.356 97 Y C 0.785 176.399 175.900 -0.477 0.000 1.002 97 Y CA -1.030 56.786 58.100 -0.473 0.000 1.127 97 Y CB -0.266 37.959 38.460 -0.392 0.000 1.137 97 Y HN 0.072 nan 8.280 nan 0.000 0.652 98 N N 1.738 120.356 118.700 -0.137 0.000 2.530 98 N HA -0.028 4.718 4.740 0.009 0.000 0.216 98 N C -1.030 174.548 175.510 0.113 0.000 1.315 98 N CA 0.184 53.235 53.050 0.000 0.000 0.858 98 N CB 0.082 38.608 38.487 0.065 0.000 1.138 98 N HN 0.544 nan 8.380 nan 0.000 0.473 99 Y N -2.761 117.584 120.300 0.075 0.000 2.689 99 Y HA 0.375 4.930 4.550 0.009 0.000 0.333 99 Y C -0.712 175.223 175.900 0.057 0.000 1.190 99 Y CA -1.459 56.675 58.100 0.057 0.000 1.063 99 Y CB 0.445 38.945 38.460 0.066 0.000 1.294 99 Y HN -0.226 nan 8.280 nan 0.000 0.466 100 E N 1.816 122.153 120.200 0.229 0.000 2.217 100 E HA 0.271 4.627 4.350 0.009 0.000 0.279 100 E C -0.881 175.833 176.600 0.190 0.000 1.068 100 E CA -0.307 56.160 56.400 0.112 0.000 0.882 100 E CB 0.451 30.197 29.700 0.077 0.000 1.039 100 E HN 0.619 nan 8.360 nan 0.000 0.418 101 I N 5.817 126.435 120.570 0.080 0.000 2.517 101 I HA -0.013 4.163 4.170 0.009 0.000 0.285 101 I C 0.289 176.431 176.117 0.042 0.000 1.106 101 I CA 0.437 61.775 61.300 0.064 0.000 1.402 101 I CB 0.331 38.275 38.000 -0.093 0.000 1.399 101 I HN 0.254 nan 8.210 nan 0.000 0.535 102 K N 8.274 128.688 120.400 0.023 0.000 2.449 102 K HA 0.311 4.637 4.320 0.009 0.000 0.257 102 K C -0.945 175.472 176.600 -0.306 0.000 0.989 102 K CA -0.684 55.546 56.287 -0.095 0.000 0.916 102 K CB 1.260 33.728 32.500 -0.053 0.000 1.136 102 K HN 0.424 nan 8.250 nan 0.000 0.439 103 Y N -0.813 119.076 120.300 -0.684 0.000 2.432 103 Y HA 0.525 5.080 4.550 0.009 0.000 0.322 103 Y C -0.283 175.153 175.900 -0.773 0.000 1.246 103 Y CA -1.386 55.893 58.100 -1.368 0.000 1.268 103 Y CB 0.839 38.289 38.460 -1.683 0.000 1.276 103 Y HN 0.346 nan 8.280 nan 0.000 0.499 104 D N 0.293 120.263 120.400 -0.716 0.000 2.440 104 D HA 0.117 4.763 4.640 0.009 0.000 0.239 104 D C 0.456 176.791 176.300 0.058 0.000 1.084 104 D CA -0.535 53.349 54.000 -0.193 0.000 0.843 104 D CB 0.276 41.083 40.800 0.012 0.000 1.097 104 D HN 0.892 nan 8.370 nan 0.000 0.531 105 H N 0.836 119.914 119.070 0.014 0.000 2.457 105 H HA -0.095 4.466 4.556 0.009 0.000 0.294 105 H C 1.470 176.890 175.328 0.153 0.000 1.064 105 H CA 1.767 57.925 56.048 0.183 0.000 1.330 105 H CB -0.124 29.747 29.762 0.181 0.000 1.395 105 H HN 0.308 nan 8.280 nan 0.000 0.541 106 T N -1.982 112.274 114.554 -0.496 0.000 3.098 106 T HA -0.017 4.339 4.350 0.009 0.000 0.266 106 T C 1.470 176.134 174.700 -0.060 0.000 1.145 106 T CA 0.593 62.503 62.100 -0.317 0.000 1.092 106 T CB -0.086 68.606 68.868 -0.294 0.000 0.908 106 T HN 0.322 nan 8.240 nan 0.000 0.526 107 K N 0.352 120.788 120.400 0.060 0.000 2.354 107 K HA 0.353 4.679 4.320 0.009 0.000 0.194 107 K C 0.525 177.214 176.600 0.149 0.000 1.038 107 K CA 0.000 56.363 56.287 0.125 0.000 1.052 107 K CB 0.524 33.170 32.500 0.243 0.000 0.861 107 K HN 0.494 nan 8.250 nan 0.000 0.535 108 I N 2.069 122.758 120.570 0.198 0.000 2.342 108 I HA 0.190 4.365 4.170 0.009 0.000 0.291 108 I C 0.439 176.624 176.117 0.114 0.000 1.010 108 I CA -0.583 60.838 61.300 0.202 0.000 1.308 108 I CB 1.006 39.184 38.000 0.297 0.000 1.400 108 I HN -0.168 nan 8.210 nan 0.000 0.488 109 R N 6.293 126.827 120.500 0.057 0.000 2.235 109 R HA 0.400 4.745 4.340 0.009 0.000 0.338 109 R C -1.244 175.067 176.300 0.019 0.000 1.087 109 R CA -0.391 55.710 56.100 0.002 0.000 0.948 109 R CB 0.521 30.775 30.300 -0.077 0.000 1.099 109 R HN 0.476 nan 8.270 nan 0.000 0.483 110 V N 4.009 123.963 119.914 0.067 0.000 2.383 110 V HA 0.447 4.573 4.120 0.009 0.000 0.275 110 V C 0.274 176.414 176.094 0.077 0.000 1.036 110 V CA -0.690 61.671 62.300 0.101 0.000 0.889 110 V CB 1.206 33.134 31.823 0.175 0.000 0.985 110 V HN 0.818 nan 8.190 nan 0.000 0.459 111 A N 4.674 127.513 122.820 0.032 0.000 2.317 111 A HA 0.662 4.988 4.320 0.009 0.000 0.327 111 A C -0.171 177.465 177.584 0.086 0.000 1.178 111 A CA -0.657 51.352 52.037 -0.046 0.000 0.817 111 A CB 0.705 19.547 19.000 -0.265 0.000 1.189 111 A HN 0.725 nan 8.150 nan 0.000 0.489 112 N N 1.719 120.511 118.700 0.153 0.000 2.442 112 N HA 0.652 5.398 4.740 0.009 0.000 0.274 112 N C -1.612 174.118 175.510 0.367 0.000 1.002 112 N CA -0.020 53.206 53.050 0.292 0.000 0.910 112 N CB 1.535 40.201 38.487 0.298 0.000 1.244 112 N HN 0.613 nan 8.380 nan 0.000 0.492 113 F N 1.124 121.171 119.950 0.162 0.000 2.685 113 F HA 0.708 5.241 4.527 0.009 0.000 0.315 113 F C -1.659 174.296 175.800 0.257 0.000 1.126 113 F CA -1.111 57.025 58.000 0.226 0.000 0.950 113 F CB 1.560 40.712 39.000 0.253 0.000 1.360 113 F HN 0.217 nan 8.300 nan 0.000 0.469 114 D N 1.135 121.516 120.400 -0.032 0.000 2.654 114 D HA 0.652 5.297 4.640 0.009 0.000 0.231 114 D C -1.529 174.757 176.300 -0.022 0.000 1.239 114 D CA -0.290 53.630 54.000 -0.134 0.000 0.790 114 D CB 2.506 43.331 40.800 0.041 0.000 1.480 114 D HN 0.908 nan 8.370 nan 0.000 0.442 115 I N -1.350 119.202 120.570 -0.030 0.000 2.934 115 I HA 0.743 4.919 4.170 0.009 0.000 0.306 115 I C -1.114 175.028 176.117 0.043 0.000 1.110 115 I CA -0.686 60.629 61.300 0.024 0.000 1.019 115 I CB 2.352 40.343 38.000 -0.015 0.000 1.227 115 I HN 0.048 nan 8.210 nan 0.000 0.434 116 E N 3.814 124.023 120.200 0.015 0.000 2.199 116 E HA 0.579 4.935 4.350 0.009 0.000 0.269 116 E C -1.273 175.360 176.600 0.054 0.000 0.899 116 E CA -0.813 55.590 56.400 0.005 0.000 0.772 116 E CB 2.909 32.527 29.700 -0.136 0.000 1.155 116 E HN 0.516 nan 8.360 nan 0.000 0.408 117 V N 2.308 122.233 119.914 0.017 0.000 2.419 117 V HA 0.179 4.304 4.120 0.009 0.000 0.287 117 V C -0.005 176.066 176.094 -0.038 0.000 1.017 117 V CA -0.797 61.475 62.300 -0.047 0.000 0.844 117 V CB 1.595 33.233 31.823 -0.309 0.000 1.011 117 V HN 0.604 nan 8.190 nan 0.000 0.429 118 T N 3.318 117.885 114.554 0.021 0.000 2.902 118 T HA 0.261 4.617 4.350 0.009 0.000 0.301 118 T C 0.319 174.787 174.700 -0.385 0.000 1.012 118 T CA 0.527 62.547 62.100 -0.134 0.000 1.151 118 T CB 0.687 69.480 68.868 -0.125 0.000 0.946 118 T HN 0.702 nan 8.240 nan 0.000 0.542 119 S N 3.716 119.119 115.700 -0.496 0.000 2.680 119 S HA 0.421 4.897 4.470 0.009 0.000 0.262 119 S C -2.405 171.904 174.600 -0.486 0.000 1.138 119 S CA -1.152 56.596 58.200 -0.754 0.000 1.072 119 S CB 1.246 64.011 63.200 -0.725 0.000 1.097 119 S HN 0.470 nan 8.310 nan 0.000 0.468 120 P HA 0.376 nan 4.420 nan 0.000 0.253 120 P C -0.276 176.970 177.300 -0.090 0.000 1.459 120 P CA 0.067 63.040 63.100 -0.212 0.000 0.908 120 P CB 0.075 31.671 31.700 -0.174 0.000 1.470 121 D N -0.253 120.086 120.400 -0.102 0.000 2.395 121 D HA 0.330 4.976 4.640 0.009 0.000 0.213 121 D C 1.116 177.448 176.300 0.053 0.000 1.110 121 D CA 0.634 54.661 54.000 0.045 0.000 0.835 121 D CB 0.359 41.284 40.800 0.210 0.000 0.965 121 D HN 0.154 nan 8.370 nan 0.000 0.505 122 G N 0.800 109.609 108.800 0.014 0.000 2.796 122 G HA2 -0.257 3.709 3.960 0.009 0.000 0.571 122 G HA3 -0.257 3.709 3.960 0.009 0.000 0.571 122 G C -0.300 174.657 174.900 0.094 0.000 1.370 122 G CA -0.887 44.258 45.100 0.075 0.000 0.856 122 G HN 0.181 nan 8.290 nan 0.000 0.538 123 F N 2.892 122.853 119.950 0.019 0.000 2.604 123 F HA 0.376 4.909 4.527 0.009 0.000 0.393 123 F C -0.747 175.115 175.800 0.103 0.000 1.043 123 F CA -0.044 57.970 58.000 0.024 0.000 1.227 123 F CB 0.507 39.522 39.000 0.025 0.000 1.016 123 F HN 0.371 nan 8.300 nan 0.000 0.556 124 P HA 0.071 nan 4.420 nan 0.000 0.280 124 P C -1.081 176.334 177.300 0.191 0.000 1.300 124 P CA -0.213 62.871 63.100 -0.025 0.000 0.785 124 P CB 1.022 32.675 31.700 -0.078 0.000 0.874 125 E N 5.776 126.197 120.200 0.367 0.000 2.257 125 E HA 0.119 4.475 4.350 0.009 0.000 0.278 125 E C -1.561 175.230 176.600 0.317 0.000 1.049 125 E CA -2.096 54.542 56.400 0.397 0.000 0.876 125 E CB 0.431 30.305 29.700 0.289 0.000 1.035 125 E HN 0.297 nan 8.360 nan 0.000 0.419 126 P HA -0.204 nan 4.420 nan 0.000 0.216 126 P C 1.117 178.391 177.300 -0.044 0.000 1.150 126 P CA 1.537 64.704 63.100 0.112 0.000 0.837 126 P CB 0.115 31.932 31.700 0.194 0.000 0.786 127 S N -1.103 114.627 115.700 0.050 0.000 2.383 127 S HA -0.217 4.259 4.470 0.009 0.000 0.229 127 S C 1.915 176.501 174.600 -0.023 0.000 1.030 127 S CA 1.069 59.283 58.200 0.023 0.000 1.002 127 S CB -1.011 62.222 63.200 0.056 0.000 0.829 127 S HN 0.101 nan 8.310 nan 0.000 0.467 128 Q N 1.128 120.914 119.800 -0.023 0.000 2.200 128 Q HA 0.406 4.751 4.340 0.009 0.000 0.197 128 Q C 1.411 177.321 176.000 -0.150 0.000 0.953 128 Q CA 0.922 56.697 55.803 -0.047 0.000 0.851 128 Q CB -0.940 27.808 28.738 0.017 0.000 0.938 128 Q HN 0.878 nan 8.270 nan 0.000 0.488 129 A N 1.535 124.192 122.820 -0.271 0.000 2.610 129 A HA -0.285 4.041 4.320 0.009 0.000 0.299 129 A C 0.975 178.443 177.584 -0.192 0.000 1.487 129 A CA 1.251 52.933 52.037 -0.592 0.000 0.743 129 A CB -1.904 16.601 19.000 -0.826 0.000 1.070 129 A HN 0.403 nan 8.150 nan 0.000 0.439 130 K N -0.811 119.550 120.400 -0.065 0.000 2.155 130 K HA -0.022 4.303 4.320 0.009 0.000 0.203 130 K C 0.539 177.025 176.600 -0.190 0.000 1.052 130 K CA 1.387 57.557 56.287 -0.195 0.000 0.948 130 K CB -0.001 32.273 32.500 -0.376 0.000 0.728 130 K HN 0.910 nan 8.250 nan 0.000 0.448 131 H N 0.218 119.443 119.070 0.258 0.000 2.472 131 H HA 0.233 4.794 4.556 0.009 0.000 0.335 131 H C -2.506 173.009 175.328 0.311 0.000 1.136 131 H CA -2.447 53.785 56.048 0.307 0.000 1.264 131 H CB 0.591 30.513 29.762 0.266 0.000 1.486 131 H HN -0.156 nan 8.280 nan 0.000 0.517 132 P HA 0.007 nan 4.420 nan 0.000 0.268 132 P C -0.186 177.259 177.300 0.242 0.000 1.205 132 P CA 0.130 63.385 63.100 0.258 0.000 0.771 132 P CB 0.538 32.357 31.700 0.199 0.000 0.858 133 I N 3.344 124.034 120.570 0.200 0.000 2.452 133 I HA 0.013 4.188 4.170 0.009 0.000 0.287 133 I C 0.834 177.029 176.117 0.129 0.000 1.079 133 I CA 0.577 61.949 61.300 0.120 0.000 1.387 133 I CB 0.501 38.555 38.000 0.089 0.000 1.404 133 I HN 0.451 nan 8.210 nan 0.000 0.522 134 D N 4.229 124.727 120.400 0.163 0.000 2.500 134 D HA 0.405 5.051 4.640 0.009 0.000 0.217 134 D C -0.122 176.349 176.300 0.285 0.000 1.159 134 D CA -0.191 53.946 54.000 0.228 0.000 0.828 134 D CB 0.788 41.741 40.800 0.255 0.000 1.039 134 D HN 0.418 nan 8.370 nan 0.000 0.512 135 A N 0.283 123.229 122.820 0.210 0.000 2.555 135 A HA 0.640 4.965 4.320 0.009 0.000 0.297 135 A C -1.750 175.916 177.584 0.136 0.000 1.060 135 A CA -0.786 51.368 52.037 0.195 0.000 0.710 135 A CB 0.955 20.044 19.000 0.149 0.000 1.282 135 A HN 0.145 nan 8.150 nan 0.000 0.399 136 I N 1.885 122.581 120.570 0.210 0.000 2.500 136 I HA 0.385 4.561 4.170 0.009 0.000 0.286 136 I C -0.433 175.945 176.117 0.434 0.000 1.063 136 I CA -0.316 61.127 61.300 0.238 0.000 1.062 136 I CB 2.508 40.499 38.000 -0.015 0.000 1.223 136 I HN 0.563 nan 8.210 nan 0.000 0.435 137 T N 3.821 118.610 114.554 0.392 0.000 2.771 137 T HA 0.364 4.719 4.350 0.009 0.000 0.281 137 T C -0.884 174.216 174.700 0.666 0.000 0.982 137 T CA -0.389 61.994 62.100 0.472 0.000 0.978 137 T CB 0.664 69.717 68.868 0.308 0.000 0.930 137 T HN 0.518 nan 8.240 nan 0.000 0.447 138 H N 2.196 121.666 119.070 0.666 0.000 3.013 138 H HA 0.426 4.988 4.556 0.009 0.000 0.326 138 H C -1.631 174.088 175.328 0.652 0.000 0.973 138 H CA -0.786 55.702 56.048 0.733 0.000 1.369 138 H CB 0.610 30.901 29.762 0.882 0.000 1.598 138 H HN 0.690 nan 8.280 nan 0.000 0.518 139 Y N 4.560 125.056 120.300 0.326 0.000 2.308 139 Y HA 0.254 4.810 4.550 0.010 0.000 0.329 139 Y C -0.704 175.294 175.900 0.163 0.000 1.111 139 Y CA -0.456 57.714 58.100 0.116 0.000 1.179 139 Y CB 1.026 39.347 38.460 -0.232 0.000 1.201 139 Y HN 0.646 nan 8.280 nan 0.000 0.483 140 D N 3.724 123.815 120.400 -0.515 0.000 2.408 140 D HA 0.093 4.739 4.640 0.009 0.000 0.243 140 D C 0.460 176.377 176.300 -0.639 0.000 1.075 140 D CA 0.013 53.828 54.000 -0.310 0.000 0.832 140 D CB 1.850 42.677 40.800 0.045 0.000 1.162 140 D HN 0.795 nan 8.370 nan 0.000 0.515 141 S N 4.027 119.560 115.700 -0.278 0.000 2.423 141 S HA -0.125 4.351 4.470 0.009 0.000 0.231 141 S C 1.954 176.524 174.600 -0.051 0.000 1.014 141 S CA 0.363 58.525 58.200 -0.062 0.000 0.965 141 S CB -0.061 63.227 63.200 0.146 0.000 0.785 141 S HN 0.601 nan 8.310 nan 0.000 0.495 142 I N 2.373 122.903 120.570 -0.066 0.000 2.233 142 I HA -0.072 4.104 4.170 0.009 0.000 0.243 142 I C 1.790 177.886 176.117 -0.034 0.000 1.093 142 I CA 1.272 62.549 61.300 -0.038 0.000 1.380 142 I CB -1.065 36.911 38.000 -0.040 0.000 1.067 142 I HN 0.269 nan 8.210 nan 0.000 0.413 143 D N 0.343 120.719 120.400 -0.041 0.000 2.269 143 D HA -0.139 4.506 4.640 0.009 0.000 0.208 143 D C 0.604 176.883 176.300 -0.035 0.000 0.963 143 D CA 0.772 54.777 54.000 0.009 0.000 0.864 143 D CB -0.267 40.616 40.800 0.139 0.000 0.936 143 D HN 0.235 nan 8.370 nan 0.000 0.505 144 D N 0.184 120.503 120.400 -0.135 0.000 2.723 144 D HA -0.169 4.476 4.640 0.009 0.000 0.236 144 D C -0.834 175.412 176.300 -0.089 0.000 1.138 144 D CA 0.551 54.498 54.000 -0.090 0.000 0.676 144 D CB -0.394 40.449 40.800 0.071 0.000 1.069 144 D HN 0.098 nan 8.370 nan 0.000 0.430 145 R N -0.035 120.278 120.500 -0.311 0.000 2.686 145 R HA 0.470 4.816 4.340 0.009 0.000 0.286 145 R C -0.398 175.770 176.300 -0.220 0.000 0.969 145 R CA -0.669 55.302 56.100 -0.215 0.000 0.898 145 R CB 0.671 30.735 30.300 -0.394 0.000 1.183 145 R HN -0.018 nan 8.270 nan 0.000 0.456 146 F N 2.429 122.402 119.950 0.038 0.000 2.371 146 F HA 0.320 4.853 4.527 0.009 0.000 0.363 146 F C 0.097 175.882 175.800 -0.025 0.000 1.122 146 F CA -0.466 57.643 58.000 0.182 0.000 1.129 146 F CB 0.526 39.625 39.000 0.165 0.000 1.173 146 F HN 0.294 nan 8.300 nan 0.000 0.489 147 Y N 2.668 123.164 120.300 0.326 0.000 2.383 147 Y HA 0.471 5.027 4.550 0.009 0.000 0.344 147 Y C -0.093 175.837 175.900 0.049 0.000 0.986 147 Y CA -0.833 57.303 58.100 0.061 0.000 1.175 147 Y CB 0.897 39.283 38.460 -0.123 0.000 1.152 147 Y HN 0.187 nan 8.280 nan 0.000 0.511 148 V N 5.480 125.370 119.914 -0.040 0.000 2.384 148 V HA 0.342 4.467 4.120 0.009 0.000 0.287 148 V C -0.719 175.274 176.094 -0.168 0.000 1.020 148 V CA -1.034 61.280 62.300 0.024 0.000 0.850 148 V CB 0.471 32.306 31.823 0.019 0.000 0.987 148 V HN 0.434 nan 8.190 nan 0.000 0.436 149 F N 2.852 122.907 119.950 0.175 0.000 2.402 149 F HA 0.571 5.104 4.527 0.009 0.000 0.355 149 F C 0.078 176.024 175.800 0.243 0.000 1.123 149 F CA -0.706 57.452 58.000 0.262 0.000 1.021 149 F CB 1.466 40.576 39.000 0.183 0.000 1.160 149 F HN 0.419 nan 8.300 nan 0.000 0.451 150 D N 3.875 124.532 120.400 0.429 0.000 2.549 150 D HA 0.278 4.924 4.640 0.009 0.000 0.251 150 D C -1.348 175.196 176.300 0.408 0.000 1.153 150 D CA -0.530 53.700 54.000 0.384 0.000 0.861 150 D CB 1.558 42.596 40.800 0.396 0.000 1.207 150 D HN 0.380 nan 8.370 nan 0.000 0.543 151 L N 4.561 125.998 121.223 0.357 0.000 2.319 151 L HA 0.307 4.652 4.340 0.009 0.000 0.280 151 L C 0.343 177.325 176.870 0.186 0.000 1.099 151 L CA 0.143 55.147 54.840 0.273 0.000 0.828 151 L CB 0.717 42.901 42.059 0.207 0.000 1.150 151 L HN 0.596 nan 8.230 nan 0.000 0.442 152 L N 3.626 124.924 121.223 0.125 0.000 2.408 152 L HA 0.266 4.612 4.340 0.009 0.000 0.215 152 L C 0.112 176.979 176.870 -0.005 0.000 1.081 152 L CA 0.038 54.884 54.840 0.010 0.000 0.840 152 L CB -0.201 41.872 42.059 0.023 0.000 1.002 152 L HN 0.605 nan 8.230 nan 0.000 0.468 153 N N 0.655 119.378 118.700 0.038 0.000 2.354 153 N HA 0.431 5.176 4.740 0.009 0.000 0.287 153 N C -0.817 174.709 175.510 0.026 0.000 1.016 153 N CA 0.073 53.136 53.050 0.021 0.000 0.871 153 N CB 2.272 40.772 38.487 0.022 0.000 1.299 153 N HN 0.005 nan 8.380 nan 0.000 0.482 154 S N 0.798 116.500 115.700 0.004 0.000 2.567 154 S HA 0.464 4.940 4.470 0.009 0.000 0.270 154 S C -2.487 172.057 174.600 -0.095 0.000 1.152 154 S CA -0.937 57.254 58.200 -0.015 0.000 0.835 154 S CB 1.892 65.126 63.200 0.057 0.000 1.115 154 S HN 0.070 nan 8.310 nan 0.000 0.459 155 P HA -0.105 nan 4.420 nan 0.000 0.218 155 P C -0.202 176.847 177.300 -0.418 0.000 1.147 155 P CA 1.603 64.458 63.100 -0.409 0.000 0.827 155 P CB -0.265 31.008 31.700 -0.712 0.000 0.778 156 Y N -0.744 119.566 120.300 0.017 0.000 2.813 156 Y HA 0.576 5.131 4.550 0.009 0.000 0.378 156 Y C 1.322 177.209 175.900 -0.022 0.000 1.023 156 Y CA -0.314 57.787 58.100 0.002 0.000 1.567 156 Y CB -0.138 38.325 38.460 0.004 0.000 1.492 156 Y HN -0.068 nan 8.280 nan 0.000 0.533 157 G N 0.965 109.800 108.800 0.057 0.000 2.629 157 G HA2 -0.174 3.792 3.960 0.009 0.000 0.686 157 G HA3 -0.174 3.792 3.960 0.009 0.000 0.686 157 G C -1.161 173.735 174.900 -0.007 0.000 1.232 157 G CA -1.211 43.901 45.100 0.021 0.000 0.803 157 G HN 0.457 nan 8.290 nan 0.000 0.638 158 N N -0.955 117.732 118.700 -0.022 0.000 2.284 158 N HA 0.733 5.478 4.740 0.009 0.000 0.300 158 N C -0.143 175.329 175.510 -0.064 0.000 1.047 158 N CA -0.520 52.507 53.050 -0.038 0.000 0.821 158 N CB 2.822 41.296 38.487 -0.022 0.000 1.337 158 N HN 1.151 nan 8.380 nan 0.000 0.482 159 V N -1.541 118.302 119.914 -0.119 0.000 2.962 159 V HA 0.543 4.669 4.120 0.009 0.000 0.313 159 V C -0.342 175.666 176.094 -0.144 0.000 1.099 159 V CA -1.004 61.188 62.300 -0.181 0.000 0.971 159 V CB 1.861 33.430 31.823 -0.423 0.000 1.028 159 V HN 0.577 nan 8.190 nan 0.000 0.430 160 E N 1.326 121.497 120.200 -0.049 0.000 2.373 160 E HA 0.266 4.621 4.350 0.009 0.000 0.263 160 E C -0.199 176.479 176.600 0.130 0.000 1.073 160 E CA -0.378 56.043 56.400 0.035 0.000 0.894 160 E CB 0.936 30.666 29.700 0.051 0.000 1.008 160 E HN 0.771 nan 8.360 nan 0.000 0.420 161 E N 0.981 121.290 120.200 0.181 0.000 2.459 161 E HA -0.136 4.220 4.350 0.009 0.000 0.264 161 E C -0.655 176.160 176.600 0.358 0.000 1.055 161 E CA 0.264 56.874 56.400 0.350 0.000 0.957 161 E CB 0.419 30.312 29.700 0.323 0.000 0.952 161 E HN 0.373 nan 8.360 nan 0.000 0.448 162 W N 2.426 123.831 121.300 0.175 0.000 2.190 162 W HA 0.070 4.735 4.660 0.009 0.000 0.330 162 W C -0.139 176.189 176.519 -0.318 0.000 1.299 162 W CA -0.195 57.056 57.345 -0.157 0.000 1.215 162 W CB 0.802 30.045 29.460 -0.361 0.000 1.147 162 W HN 0.223 nan 8.180 nan 0.000 0.563 163 S N 7.185 122.341 115.700 -0.907 0.000 2.474 163 S HA 0.213 4.689 4.470 0.009 0.000 0.321 163 S C 0.520 174.265 174.600 -1.425 0.000 1.080 163 S CA -0.797 56.862 58.200 -0.902 0.000 1.106 163 S CB 0.754 63.679 63.200 -0.459 0.000 0.984 163 S HN 0.718 nan 8.310 nan 0.000 0.464 164 I N 4.003 123.741 120.570 -1.387 0.000 2.676 164 I HA -0.055 4.121 4.170 0.009 0.000 0.259 164 I C 1.609 177.402 176.117 -0.539 0.000 1.194 164 I CA 1.307 61.919 61.300 -1.146 0.000 1.473 164 I CB 0.138 37.752 38.000 -0.643 0.000 1.096 164 I HN 0.695 nan 8.210 nan 0.000 0.443 165 E N 0.901 120.849 120.200 -0.420 0.000 2.072 165 E HA -0.170 4.186 4.350 0.009 0.000 0.191 165 E C 2.023 178.484 176.600 -0.233 0.000 0.985 165 E CA 1.490 57.738 56.400 -0.253 0.000 0.801 165 E CB -0.215 29.367 29.700 -0.196 0.000 0.750 165 E HN 0.518 nan 8.360 nan 0.000 0.452 166 I N 0.601 120.994 120.570 -0.296 0.000 2.333 166 I HA -0.172 4.004 4.170 0.009 0.000 0.246 166 I C 2.291 178.291 176.117 -0.195 0.000 1.106 166 I CA 0.813 61.980 61.300 -0.222 0.000 1.411 166 I CB -0.271 37.595 38.000 -0.223 0.000 1.082 166 I HN 0.086 nan 8.210 nan 0.000 0.420 167 A N 0.871 123.515 122.820 -0.294 0.000 1.948 167 A HA -0.245 4.081 4.320 0.009 0.000 0.220 167 A C 2.479 180.041 177.584 -0.037 0.000 1.177 167 A CA 2.130 54.104 52.037 -0.104 0.000 0.636 167 A CB -0.848 18.141 19.000 -0.019 0.000 0.815 167 A HN 0.446 nan 8.150 nan 0.000 0.449 168 A N -0.785 121.981 122.820 -0.089 0.000 2.014 168 A HA 0.044 4.369 4.320 0.009 0.000 0.218 168 A C 1.367 178.927 177.584 -0.039 0.000 1.163 168 A CA 0.658 52.664 52.037 -0.052 0.000 0.652 168 A CB -0.165 18.792 19.000 -0.072 0.000 0.808 168 A HN 0.493 nan 8.150 nan 0.000 0.449 169 K N 0.410 120.778 120.400 -0.053 0.000 2.276 169 K HA 0.238 4.564 4.320 0.009 0.000 0.259 169 K C -0.179 176.412 176.600 -0.015 0.000 1.001 169 K CA -0.561 55.703 56.287 -0.038 0.000 0.927 169 K CB 0.305 32.775 32.500 -0.050 0.000 0.969 169 K HN 0.149 nan 8.250 nan 0.000 0.490 170 L N 2.985 124.202 121.223 -0.010 0.000 2.506 170 L HA -0.129 4.217 4.340 0.009 0.000 0.281 170 L C 1.998 178.875 176.870 0.011 0.000 1.228 170 L CA 0.800 55.642 54.840 0.002 0.000 0.850 170 L CB 0.201 42.259 42.059 -0.002 0.000 1.110 170 L HN 0.687 nan 8.230 nan 0.000 0.496 171 Q N 2.081 121.897 119.800 0.027 0.000 2.030 171 Q HA -0.219 4.127 4.340 0.009 0.000 0.204 171 Q C 1.465 177.478 176.000 0.022 0.000 0.986 171 Q CA 1.708 57.533 55.803 0.038 0.000 0.843 171 Q CB 0.008 28.779 28.738 0.054 0.000 0.904 171 Q HN 0.564 nan 8.270 nan 0.000 0.420 172 E N 0.557 120.766 120.200 0.015 0.000 2.501 172 E HA -0.167 4.189 4.350 0.009 0.000 0.203 172 E C 1.134 177.736 176.600 0.002 0.000 1.072 172 E CA 0.675 57.079 56.400 0.008 0.000 0.885 172 E CB -0.098 29.604 29.700 0.004 0.000 0.813 172 E HN 0.320 nan 8.360 nan 0.000 0.556 173 Q N -1.186 118.613 119.800 -0.001 0.000 2.112 173 Q HA 0.193 4.538 4.340 0.009 0.000 0.222 173 Q C 0.535 176.528 176.000 -0.012 0.000 0.798 173 Q CA 0.418 56.216 55.803 -0.009 0.000 1.060 173 Q CB 0.634 29.364 28.738 -0.014 0.000 1.184 173 Q HN 0.233 nan 8.270 nan 0.000 0.475 174 G N -0.446 108.351 108.800 -0.006 0.000 2.159 174 G HA2 -0.257 3.708 3.960 0.009 0.000 0.256 174 G HA3 -0.257 3.708 3.960 0.009 0.000 0.256 174 G C 0.294 175.183 174.900 -0.019 0.000 0.977 174 G CA 0.014 45.108 45.100 -0.010 0.000 0.652 174 G HN 0.566 nan 8.290 nan 0.000 0.531 175 G N -1.161 107.629 108.800 -0.016 0.000 2.583 175 G HA2 0.538 4.503 3.960 0.009 0.000 0.280 175 G HA3 0.538 4.503 3.960 0.009 0.000 0.280 175 G C 0.291 175.195 174.900 0.007 0.000 1.376 175 G CA 0.483 45.568 45.100 -0.024 0.000 1.043 175 G HN 0.056 nan 8.290 nan 0.000 0.538 176 D N -1.300 119.114 120.400 0.024 0.000 2.417 176 D HA 0.070 4.715 4.640 0.009 0.000 0.207 176 D C 0.576 176.952 176.300 0.126 0.000 1.075 176 D CA 0.118 54.171 54.000 0.088 0.000 0.851 176 D CB 0.722 41.584 40.800 0.103 0.000 0.976 176 D HN 0.640 nan 8.370 nan 0.000 0.505 177 E N 0.481 120.723 120.200 0.070 0.000 2.416 177 E HA -0.158 4.198 4.350 0.009 0.000 0.249 177 E C -0.814 175.825 176.600 0.064 0.000 1.124 177 E CA -0.226 56.208 56.400 0.057 0.000 0.732 177 E CB -1.042 28.694 29.700 0.058 0.000 1.286 177 E HN -0.027 nan 8.360 nan 0.000 0.394 178 V N 1.445 121.399 119.914 0.067 0.000 2.529 178 V HA 0.126 4.251 4.120 0.009 0.000 0.292 178 V C -1.605 174.485 176.094 -0.006 0.000 1.028 178 V CA -0.619 61.706 62.300 0.041 0.000 1.074 178 V CB 0.391 32.254 31.823 0.066 0.000 0.958 178 V HN 0.213 nan 8.190 nan 0.000 0.481 179 P HA 0.061 nan 4.420 nan 0.000 0.265 179 P C 0.866 178.130 177.300 -0.060 0.000 1.187 179 P CA 0.293 63.386 63.100 -0.012 0.000 0.766 179 P CB 0.497 32.234 31.700 0.062 0.000 0.820 180 S N 2.410 118.094 115.700 -0.026 0.000 2.359 180 S HA -0.204 4.272 4.470 0.009 0.000 0.224 180 S C 1.496 176.075 174.600 -0.036 0.000 1.035 180 S CA 1.418 59.602 58.200 -0.027 0.000 1.018 180 S CB -0.737 62.458 63.200 -0.009 0.000 0.876 180 S HN 0.699 nan 8.310 nan 0.000 0.448 181 E N 2.155 122.341 120.200 -0.025 0.000 2.501 181 E HA -0.155 4.201 4.350 0.009 0.000 0.203 181 E C 1.583 178.146 176.600 -0.062 0.000 1.072 181 E CA 0.994 57.388 56.400 -0.010 0.000 0.885 181 E CB -0.561 29.167 29.700 0.047 0.000 0.813 181 E HN 0.840 nan 8.360 nan 0.000 0.556 182 I N -3.869 116.596 120.570 -0.175 0.000 4.403 182 I HA 0.115 4.291 4.170 0.009 0.000 0.331 182 I C 1.670 177.703 176.117 -0.139 0.000 1.327 182 I CA -0.464 60.708 61.300 -0.212 0.000 1.175 182 I CB 0.094 37.685 38.000 -0.681 0.000 1.165 182 I HN -0.247 nan 8.210 nan 0.000 0.413 183 I N 2.793 123.304 120.570 -0.098 0.000 2.113 183 I HA -0.285 3.891 4.170 0.009 0.000 0.242 183 I C 1.697 177.822 176.117 0.013 0.000 1.064 183 I CA 1.825 63.106 61.300 -0.032 0.000 1.320 183 I CB -1.134 36.849 38.000 -0.027 0.000 1.028 183 I HN 0.362 nan 8.210 nan 0.000 0.406 184 D N 0.527 120.938 120.400 0.018 0.000 2.378 184 D HA -0.091 4.555 4.640 0.009 0.000 0.227 184 D C 1.614 177.954 176.300 0.066 0.000 1.012 184 D CA 0.666 54.689 54.000 0.038 0.000 0.905 184 D CB -0.013 40.807 40.800 0.033 0.000 0.895 184 D HN 0.433 nan 8.370 nan 0.000 0.532 185 K N -0.174 120.290 120.400 0.106 0.000 2.373 185 K HA 0.250 4.575 4.320 0.009 0.000 0.202 185 K C 0.412 177.139 176.600 0.213 0.000 1.025 185 K CA -0.147 56.250 56.287 0.183 0.000 1.115 185 K CB 1.336 34.034 32.500 0.329 0.000 0.858 185 K HN 0.046 nan 8.250 nan 0.000 0.525 186 I N 2.552 123.204 120.570 0.136 0.000 2.371 186 I HA 0.114 4.290 4.170 0.009 0.000 0.290 186 I C -0.145 176.004 176.117 0.053 0.000 1.028 186 I CA -0.454 60.917 61.300 0.118 0.000 1.345 186 I CB 0.854 38.931 38.000 0.127 0.000 1.407 186 I HN -0.084 nan 8.210 nan 0.000 0.501 187 I N 7.526 128.064 120.570 -0.053 0.000 2.330 187 I HA 0.162 4.338 4.170 0.009 0.000 0.286 187 I C -0.556 175.565 176.117 0.007 0.000 1.025 187 I CA -0.605 60.650 61.300 -0.076 0.000 1.197 187 I CB 0.740 38.569 38.000 -0.286 0.000 1.358 187 I HN 0.448 nan 8.210 nan 0.000 0.467 188 Y N 7.869 128.152 120.300 -0.027 0.000 2.326 188 Y HA 0.542 5.097 4.550 0.009 0.000 0.337 188 Y C -0.524 175.333 175.900 -0.072 0.000 1.023 188 Y CA -0.865 57.230 58.100 -0.008 0.000 1.143 188 Y CB 1.436 40.018 38.460 0.203 0.000 1.183 188 Y HN 0.505 nan 8.280 nan 0.000 0.485 189 M N 9.752 128.889 119.600 -0.771 0.000 2.007 189 M HA 0.341 4.826 4.480 0.009 0.000 0.285 189 M C -2.644 173.080 176.300 -0.960 0.000 0.893 189 M CA -1.801 53.035 55.300 -0.773 0.000 0.925 189 M CB 1.637 33.903 32.600 -0.555 0.000 1.568 189 M HN 0.403 nan 8.290 nan 0.000 0.414 190 P HA 0.382 nan 4.420 nan 0.000 0.274 190 P C -1.194 175.716 177.300 -0.650 0.000 1.231 190 P CA -0.049 62.726 63.100 -0.541 0.000 0.790 190 P CB 0.544 32.096 31.700 -0.246 0.000 0.951 191 F N 0.293 120.246 119.950 0.006 0.000 2.547 191 F HA 0.228 4.760 4.527 0.009 0.000 0.316 191 F C 1.134 176.964 175.800 0.049 0.000 1.121 191 F CA -0.415 57.612 58.000 0.045 0.000 0.911 191 F CB 1.691 40.742 39.000 0.086 0.000 1.179 191 F HN 0.175 nan 8.300 nan 0.000 0.443 192 D N 1.124 121.653 120.400 0.214 0.000 2.117 192 D HA -0.103 4.543 4.640 0.009 0.000 0.197 192 D C 0.173 176.554 176.300 0.136 0.000 0.987 192 D CA 1.632 55.713 54.000 0.134 0.000 0.829 192 D CB -0.127 40.735 40.800 0.104 0.000 0.961 192 D HN 0.625 nan 8.370 nan 0.000 0.460 193 N N -1.511 117.292 118.700 0.172 0.000 2.416 193 N HA 0.106 4.851 4.740 0.009 0.000 0.276 193 N C 0.181 175.757 175.510 0.110 0.000 1.261 193 N CA -0.758 52.362 53.050 0.117 0.000 0.790 193 N CB 1.852 40.386 38.487 0.079 0.000 1.554 193 N HN -0.234 nan 8.380 nan 0.000 0.481 194 E N 0.353 120.594 120.200 0.070 0.000 2.077 194 E HA -0.213 4.142 4.350 0.009 0.000 0.193 194 E C 0.807 177.436 176.600 0.049 0.000 0.989 194 E CA 1.145 57.574 56.400 0.047 0.000 0.800 194 E CB 0.093 29.820 29.700 0.046 0.000 0.746 194 E HN 0.497 nan 8.360 nan 0.000 0.452 195 K N 0.616 121.052 120.400 0.061 0.000 2.000 195 K HA -0.243 4.083 4.320 0.009 0.000 0.218 195 K C 2.126 178.839 176.600 0.189 0.000 1.053 195 K CA 2.028 58.402 56.287 0.145 0.000 0.946 195 K CB -0.376 32.167 32.500 0.071 0.000 0.723 195 K HN 0.269 nan 8.250 nan 0.000 0.446 196 E N 0.756 121.023 120.200 0.111 0.000 2.077 196 E HA -0.170 4.185 4.350 0.009 0.000 0.193 196 E C 1.926 178.409 176.600 -0.195 0.000 0.989 196 E CA 0.538 56.988 56.400 0.084 0.000 0.800 196 E CB -0.115 29.717 29.700 0.220 0.000 0.746 196 E HN 0.128 nan 8.360 nan 0.000 0.452 197 L N 1.205 122.169 121.223 -0.432 0.000 1.997 197 L HA -0.241 4.104 4.340 0.009 0.000 0.216 197 L C 2.002 178.583 176.870 -0.481 0.000 1.074 197 L CA 1.867 56.144 54.840 -0.937 0.000 0.763 197 L CB -0.941 40.865 42.059 -0.422 0.000 0.890 197 L HN 0.238 nan 8.230 nan 0.000 0.434 198 L N -1.278 119.837 121.223 -0.179 0.000 2.072 198 L HA -0.218 4.128 4.340 0.009 0.000 0.205 198 L C 2.769 179.550 176.870 -0.148 0.000 1.079 198 L CA 1.325 56.112 54.840 -0.087 0.000 0.752 198 L CB -0.338 41.791 42.059 0.115 0.000 0.906 198 L HN 0.304 nan 8.230 nan 0.000 0.436 199 M N -0.339 119.172 119.600 -0.147 0.000 2.086 199 M HA -0.245 4.240 4.480 0.009 0.000 0.261 199 M C 2.247 178.486 176.300 -0.103 0.000 1.067 199 M CA 1.754 56.922 55.300 -0.220 0.000 1.116 199 M CB -0.010 32.538 32.600 -0.085 0.000 1.348 199 M HN 0.123 nan 8.290 nan 0.000 0.407 200 E N -0.279 119.899 120.200 -0.037 0.000 2.051 200 E HA -0.255 4.101 4.350 0.009 0.000 0.192 200 E C 1.708 178.374 176.600 0.110 0.000 0.991 200 E CA 1.758 58.218 56.400 0.099 0.000 0.799 200 E CB -0.630 29.226 29.700 0.259 0.000 0.748 200 E HN 0.575 nan 8.360 nan 0.000 0.449 201 Y N 0.518 120.691 120.300 -0.211 0.000 2.165 201 Y HA -0.196 4.360 4.550 0.009 0.000 0.286 201 Y C 1.929 177.794 175.900 -0.059 0.000 1.155 201 Y CA 1.861 59.744 58.100 -0.362 0.000 1.164 201 Y CB -0.240 37.833 38.460 -0.645 0.000 0.978 201 Y HN 0.076 nan 8.280 nan 0.000 0.513 202 L N -0.079 121.080 121.223 -0.108 0.000 2.017 202 L HA -0.274 4.072 4.340 0.009 0.000 0.208 202 L C 2.147 178.969 176.870 -0.081 0.000 1.073 202 L CA 1.933 56.681 54.840 -0.154 0.000 0.745 202 L CB -0.689 41.240 42.059 -0.216 0.000 0.894 202 L HN 0.294 nan 8.230 nan 0.000 0.432 203 N N -0.584 118.091 118.700 -0.041 0.000 2.223 203 N HA -0.218 4.528 4.740 0.009 0.000 0.185 203 N C 1.839 177.354 175.510 0.007 0.000 1.016 203 N CA 1.036 54.082 53.050 -0.007 0.000 0.863 203 N CB -0.108 38.393 38.487 0.024 0.000 0.983 203 N HN 0.214 nan 8.380 nan 0.000 0.429 204 F N 1.321 121.185 119.950 -0.142 0.000 2.113 204 F HA -0.138 4.395 4.527 0.009 0.000 0.297 204 F C 2.235 177.841 175.800 -0.324 0.000 1.103 204 F CA 1.093 58.962 58.000 -0.217 0.000 1.248 204 F CB -0.389 38.514 39.000 -0.162 0.000 0.999 204 F HN 0.147 nan 8.300 nan 0.000 0.475 205 W N 1.711 122.611 121.300 -0.667 0.000 2.342 205 W HA -0.271 4.395 4.660 0.010 0.000 0.297 205 W C 2.318 178.557 176.519 -0.467 0.000 1.213 205 W CA 2.190 59.117 57.345 -0.695 0.000 1.251 205 W CB -0.787 28.332 29.460 -0.570 0.000 1.136 205 W HN 0.278 nan 8.180 nan 0.000 0.526 206 Q N -0.062 119.690 119.800 -0.081 0.000 2.061 206 Q HA -0.262 4.084 4.340 0.009 0.000 0.204 206 Q C 2.418 178.303 176.000 -0.190 0.000 0.984 206 Q CA 2.475 58.227 55.803 -0.085 0.000 0.846 206 Q CB -0.292 28.417 28.738 -0.048 0.000 0.902 206 Q HN 0.211 nan 8.270 nan 0.000 0.421 207 Q N -0.094 119.558 119.800 -0.246 0.000 2.187 207 Q HA -0.039 4.306 4.340 0.009 0.000 0.199 207 Q C 0.339 176.130 176.000 -0.349 0.000 0.957 207 Q CA 0.982 56.640 55.803 -0.242 0.000 0.857 207 Q CB 0.255 28.887 28.738 -0.177 0.000 0.929 207 Q HN 0.088 nan 8.270 nan 0.000 0.453 208 K N 1.377 121.426 120.400 -0.585 0.000 2.724 208 K HA 0.222 4.547 4.320 0.009 0.000 0.198 208 K C -1.038 175.134 176.600 -0.712 0.000 1.099 208 K CA -0.030 55.878 56.287 -0.632 0.000 1.025 208 K CB 1.074 33.077 32.500 -0.828 0.000 1.509 208 K HN -0.098 nan 8.250 nan 0.000 0.564 209 T N 3.173 117.394 114.554 -0.555 0.000 2.769 209 T HA 0.145 4.501 4.350 0.009 0.000 0.293 209 T C -2.330 172.056 174.700 -0.524 0.000 0.931 209 T CA -1.393 60.321 62.100 -0.644 0.000 1.139 209 T CB 0.361 69.022 68.868 -0.346 0.000 0.881 209 T HN 0.097 nan 8.240 nan 0.000 0.532 210 P HA 0.122 nan 4.420 nan 0.000 0.268 210 P C 0.543 177.739 177.300 -0.173 0.000 1.204 210 P CA -0.194 62.679 63.100 -0.379 0.000 0.768 210 P CB 0.670 32.105 31.700 -0.441 0.000 0.842 211 V N 3.474 123.344 119.914 -0.073 0.000 2.403 211 V HA 0.022 4.148 4.120 0.009 0.000 0.239 211 V C 1.055 177.178 176.094 0.047 0.000 1.041 211 V CA 1.200 63.507 62.300 0.011 0.000 1.051 211 V CB -0.180 31.675 31.823 0.053 0.000 0.704 211 V HN 0.414 nan 8.190 nan 0.000 0.472 212 I N 2.038 122.644 120.570 0.059 0.000 2.315 212 I HA 0.376 4.551 4.170 0.009 0.000 0.291 212 I C -0.610 175.568 176.117 0.101 0.000 1.006 212 I CA -0.448 60.908 61.300 0.094 0.000 1.265 212 I CB 1.099 39.169 38.000 0.118 0.000 1.387 212 I HN 0.086 nan 8.210 nan 0.000 0.475 213 L N 7.036 128.343 121.223 0.141 0.000 2.298 213 L HA 0.645 4.990 4.340 0.009 0.000 0.284 213 L C -0.124 176.909 176.870 0.273 0.000 1.013 213 L CA 0.465 55.420 54.840 0.192 0.000 0.824 213 L CB 1.552 43.749 42.059 0.229 0.000 1.221 213 L HN 0.725 nan 8.230 nan 0.000 0.418 214 T N 2.627 117.374 114.554 0.322 0.000 2.716 214 T HA 0.973 5.328 4.350 0.009 0.000 0.286 214 T C -0.517 174.414 174.700 0.385 0.000 1.052 214 T CA -0.047 62.267 62.100 0.357 0.000 1.024 214 T CB 1.466 70.566 68.868 0.385 0.000 1.349 214 T HN 1.137 nan 8.240 nan 0.000 0.525 215 G N -0.114 108.905 108.800 0.366 0.000 2.350 215 G HA2 0.179 4.144 3.960 0.009 0.000 0.282 215 G HA3 0.179 4.144 3.960 0.009 0.000 0.282 215 G C -2.042 173.078 174.900 0.366 0.000 1.314 215 G CA -0.602 44.690 45.100 0.319 0.000 0.915 215 G HN 0.723 nan 8.290 nan 0.000 0.499 216 W N 1.785 123.149 121.300 0.108 0.000 2.291 216 W HA 0.465 5.131 4.660 0.009 0.000 0.312 216 W C 0.774 177.348 176.519 0.091 0.000 1.061 216 W CA 0.299 57.711 57.345 0.111 0.000 1.296 216 W CB 0.999 30.500 29.460 0.068 0.000 1.223 216 W HN 0.931 nan 8.180 nan 0.000 0.421 217 N N 3.351 121.882 118.700 -0.281 0.000 2.800 217 N HA -0.241 4.505 4.740 0.009 0.000 0.250 217 N C 0.596 176.131 175.510 0.041 0.000 1.078 217 N CA 1.123 54.082 53.050 -0.152 0.000 0.804 217 N CB -1.114 37.339 38.487 -0.057 0.000 1.135 217 N HN 0.279 nan 8.380 nan 0.000 0.565 218 V N -0.256 119.688 119.914 0.051 0.000 2.759 218 V HA -0.110 4.016 4.120 0.009 0.000 0.256 218 V C 1.995 178.158 176.094 0.115 0.000 1.080 218 V CA 2.268 64.620 62.300 0.085 0.000 1.101 218 V CB -0.182 31.714 31.823 0.121 0.000 0.698 218 V HN 0.445 nan 8.190 nan 0.000 0.477 219 E N -1.084 119.157 120.200 0.068 0.000 2.318 219 E HA -0.062 4.294 4.350 0.009 0.000 0.193 219 E C 2.126 178.752 176.600 0.043 0.000 0.998 219 E CA 0.844 57.272 56.400 0.046 0.000 0.859 219 E CB 0.233 29.923 29.700 -0.017 0.000 0.812 219 E HN 0.584 nan 8.360 nan 0.000 0.492 220 S N -0.616 115.123 115.700 0.066 0.000 2.492 220 S HA 0.078 4.554 4.470 0.009 0.000 0.218 220 S C 0.921 175.676 174.600 0.258 0.000 1.016 220 S CA 0.048 58.312 58.200 0.107 0.000 0.916 220 S CB 0.265 63.501 63.200 0.059 0.000 0.791 220 S HN 0.298 nan 8.310 nan 0.000 0.513 221 F N 1.700 121.717 119.950 0.112 0.000 2.182 221 F HA 0.202 4.735 4.527 0.009 0.000 0.254 221 F C 2.211 178.107 175.800 0.161 0.000 0.972 221 F CA 0.925 59.031 58.000 0.178 0.000 1.182 221 F CB -0.642 38.486 39.000 0.215 0.000 1.382 221 F HN 0.101 nan 8.300 nan 0.000 0.718 222 D N 1.477 121.843 120.400 -0.057 0.000 2.092 222 D HA -0.169 4.477 4.640 0.009 0.000 0.193 222 D C 2.006 178.314 176.300 0.013 0.000 0.994 222 D CA 2.277 56.149 54.000 -0.214 0.000 0.828 222 D CB -1.045 39.565 40.800 -0.317 0.000 0.963 222 D HN 0.392 nan 8.370 nan 0.000 0.450 223 I N 0.875 121.543 120.570 0.163 0.000 2.113 223 I HA -0.122 4.054 4.170 0.009 0.000 0.238 223 I C -0.312 175.881 176.117 0.127 0.000 1.070 223 I CA 1.562 63.006 61.300 0.240 0.000 1.332 223 I CB -0.867 37.272 38.000 0.232 0.000 1.044 223 I HN 0.182 nan 8.210 nan 0.000 0.402 224 P HA -0.233 nan 4.420 nan 0.000 0.215 224 P C 1.584 178.910 177.300 0.045 0.000 1.157 224 P CA 1.655 64.787 63.100 0.054 0.000 0.874 224 P CB -0.154 31.577 31.700 0.051 0.000 0.790 225 Y N -0.112 120.089 120.300 -0.165 0.000 2.114 225 Y HA -0.184 4.372 4.550 0.009 0.000 0.284 225 Y C 2.428 178.260 175.900 -0.113 0.000 1.143 225 Y CA 1.312 59.275 58.100 -0.230 0.000 1.135 225 Y CB -1.011 37.079 38.460 -0.617 0.000 0.980 225 Y HN -0.276 nan 8.280 nan 0.000 0.499 226 V N -0.425 119.568 119.914 0.130 0.000 2.407 226 V HA -0.293 3.832 4.120 0.009 0.000 0.248 226 V C 2.044 178.156 176.094 0.030 0.000 1.055 226 V CA 2.181 64.537 62.300 0.092 0.000 1.049 226 V CB -0.735 31.145 31.823 0.095 0.000 0.662 226 V HN 0.624 nan 8.190 nan 0.000 0.455 227 Y N 1.406 121.665 120.300 -0.067 0.000 2.114 227 Y HA -0.223 4.333 4.550 0.009 0.000 0.284 227 Y C 2.537 178.382 175.900 -0.091 0.000 1.143 227 Y CA 2.481 60.528 58.100 -0.088 0.000 1.135 227 Y CB -0.315 38.102 38.460 -0.071 0.000 0.980 227 Y HN 0.339 nan 8.280 nan 0.000 0.499 228 N N 0.044 118.738 118.700 -0.010 0.000 2.216 228 N HA -0.151 4.594 4.740 0.009 0.000 0.183 228 N C 1.957 177.341 175.510 -0.209 0.000 1.017 228 N CA 1.089 54.063 53.050 -0.126 0.000 0.861 228 N CB -0.322 38.095 38.487 -0.116 0.000 0.986 228 N HN 0.238 nan 8.380 nan 0.000 0.428 229 R N 1.535 121.900 120.500 -0.225 0.000 2.083 229 R HA 0.060 4.406 4.340 0.009 0.000 0.237 229 R C 2.140 178.398 176.300 -0.070 0.000 1.137 229 R CA 1.033 57.043 56.100 -0.150 0.000 0.951 229 R CB -0.625 29.653 30.300 -0.037 0.000 0.851 229 R HN 0.213 nan 8.270 nan 0.000 0.434 230 I N 0.382 120.921 120.570 -0.052 0.000 2.252 230 I HA -0.255 3.920 4.170 0.009 0.000 0.245 230 I C 2.448 178.556 176.117 -0.014 0.000 1.102 230 I CA 1.423 62.756 61.300 0.056 0.000 1.385 230 I CB -0.368 37.598 38.000 -0.057 0.000 1.064 230 I HN 0.223 nan 8.210 nan 0.000 0.414 231 K N 1.118 121.389 120.400 -0.214 0.000 2.063 231 K HA -0.212 4.114 4.320 0.009 0.000 0.208 231 K C 1.866 178.389 176.600 -0.128 0.000 1.048 231 K CA 1.704 57.856 56.287 -0.226 0.000 0.928 231 K CB -0.040 32.257 32.500 -0.337 0.000 0.713 231 K HN 0.265 nan 8.250 nan 0.000 0.442 232 N N 0.515 119.139 118.700 -0.128 0.000 2.309 232 N HA -0.082 4.664 4.740 0.009 0.000 0.182 232 N C 1.704 177.130 175.510 -0.140 0.000 1.018 232 N CA 1.052 54.031 53.050 -0.119 0.000 0.876 232 N CB 0.055 38.467 38.487 -0.125 0.000 0.972 232 N HN 0.325 nan 8.380 nan 0.000 0.434 233 I N -1.463 119.008 120.570 -0.166 0.000 2.685 233 I HA 0.001 4.177 4.170 0.009 0.000 0.251 233 I C 0.769 176.618 176.117 -0.447 0.000 1.102 233 I CA 0.605 61.695 61.300 -0.351 0.000 1.442 233 I CB 0.067 37.763 38.000 -0.506 0.000 1.194 233 I HN -0.110 nan 8.210 nan 0.000 0.448 234 F N 0.871 120.763 119.950 -0.097 0.000 2.731 234 F HA 0.459 4.992 4.527 0.009 0.000 0.298 234 F C 1.083 176.828 175.800 -0.092 0.000 1.106 234 F CA 0.212 58.160 58.000 -0.087 0.000 1.329 234 F CB 0.250 39.196 39.000 -0.090 0.000 1.100 234 F HN 0.087 nan 8.300 nan 0.000 0.592 235 G N 0.831 109.658 108.800 0.045 0.000 2.629 235 G HA2 -0.207 3.758 3.960 0.009 0.000 0.686 235 G HA3 -0.207 3.758 3.960 0.009 0.000 0.686 235 G C 0.181 175.047 174.900 -0.058 0.000 1.232 235 G CA -0.289 44.802 45.100 -0.014 0.000 0.803 235 G HN 0.228 nan 8.290 nan 0.000 0.638 236 E N -0.319 119.834 120.200 -0.078 0.000 2.268 236 E HA -0.049 4.306 4.350 0.009 0.000 0.195 236 E C 2.414 178.963 176.600 -0.085 0.000 0.995 236 E CA 1.490 57.821 56.400 -0.114 0.000 0.836 236 E CB -0.107 29.562 29.700 -0.052 0.000 0.763 236 E HN 0.460 nan 8.360 nan 0.000 0.491 237 S N -0.270 115.399 115.700 -0.051 0.000 2.368 237 S HA -0.121 4.354 4.470 0.009 0.000 0.224 237 S C 1.977 176.541 174.600 -0.061 0.000 1.029 237 S CA 1.458 59.634 58.200 -0.040 0.000 0.988 237 S CB -0.289 62.897 63.200 -0.023 0.000 0.838 237 S HN 0.317 nan 8.310 nan 0.000 0.462 238 T N 2.546 117.057 114.554 -0.072 0.000 2.737 238 T HA -0.017 4.339 4.350 0.009 0.000 0.265 238 T C 2.197 176.793 174.700 -0.173 0.000 1.038 238 T CA 1.225 63.253 62.100 -0.120 0.000 1.144 238 T CB -0.597 68.197 68.868 -0.123 0.000 0.866 238 T HN 0.450 nan 8.240 nan 0.000 0.434 239 A N 1.634 124.327 122.820 -0.212 0.000 1.986 239 A HA -0.190 4.135 4.320 0.009 0.000 0.220 239 A C 2.133 179.602 177.584 -0.193 0.000 1.171 239 A CA 1.696 53.525 52.037 -0.347 0.000 0.640 239 A CB -0.536 18.038 19.000 -0.710 0.000 0.811 239 A HN 0.472 nan 8.150 nan 0.000 0.451 240 K N -0.715 119.637 120.400 -0.081 0.000 2.515 240 K HA -0.023 4.303 4.320 0.009 0.000 0.196 240 K C 1.864 178.455 176.600 -0.015 0.000 1.038 240 K CA 0.430 56.736 56.287 0.033 0.000 0.967 240 K CB -0.088 32.430 32.500 0.029 0.000 0.780 240 K HN 0.428 nan 8.250 nan 0.000 0.483 241 R N 0.450 120.900 120.500 -0.083 0.000 2.189 241 R HA -0.053 4.292 4.340 0.009 0.000 0.223 241 R C 1.866 178.092 176.300 -0.124 0.000 1.092 241 R CA 0.715 56.761 56.100 -0.090 0.000 0.989 241 R CB -0.245 29.981 30.300 -0.122 0.000 0.876 241 R HN 0.226 nan 8.270 nan 0.000 0.457 242 L N 0.412 121.490 121.223 -0.242 0.000 2.265 242 L HA -0.064 4.282 4.340 0.009 0.000 0.215 242 L C 1.296 178.180 176.870 0.023 0.000 1.117 242 L CA 0.527 55.091 54.840 -0.459 0.000 0.782 242 L CB -0.200 41.545 42.059 -0.523 0.000 0.914 242 L HN -0.011 nan 8.230 nan 0.000 0.441 243 S N 0.127 115.859 115.700 0.053 0.000 2.452 243 S HA 0.244 4.720 4.470 0.009 0.000 0.284 243 S C -1.323 173.282 174.600 0.009 0.000 1.171 243 S CA -1.683 56.562 58.200 0.074 0.000 1.064 243 S CB 1.066 64.314 63.200 0.081 0.000 0.967 243 S HN -0.077 nan 8.310 nan 0.000 0.484 244 P HA -0.146 nan 4.420 nan 0.000 0.218 244 P C 0.405 177.612 177.300 -0.155 0.000 1.146 244 P CA 1.415 64.419 63.100 -0.160 0.000 0.813 244 P CB -0.116 31.404 31.700 -0.299 0.000 0.778 245 H N -1.320 117.766 119.070 0.027 0.000 2.586 245 H HA 0.272 4.833 4.556 0.009 0.000 0.273 245 H C 0.719 175.961 175.328 -0.142 0.000 0.997 245 H CA -0.033 55.948 56.048 -0.112 0.000 1.177 245 H CB 0.313 29.831 29.762 -0.407 0.000 1.471 245 H HN -0.026 nan 8.280 nan 0.000 0.538 246 R N -0.395 120.106 120.500 0.002 0.000 3.963 246 R HA -0.152 4.194 4.340 0.009 0.000 0.394 246 R C -0.011 176.264 176.300 -0.041 0.000 1.131 246 R CA 0.484 56.576 56.100 -0.013 0.000 1.059 246 R CB -2.067 28.223 30.300 -0.016 0.000 1.614 246 R HN 0.210 nan 8.270 nan 0.000 0.546 247 K N 1.912 122.271 120.400 -0.068 0.000 2.244 247 K HA 0.465 4.791 4.320 0.009 0.000 0.260 247 K C -0.604 176.011 176.600 0.026 0.000 0.951 247 K CA -0.087 56.109 56.287 -0.152 0.000 0.826 247 K CB 1.399 33.612 32.500 -0.478 0.000 1.108 247 K HN 0.193 nan 8.250 nan 0.000 0.433 248 T N 1.029 115.611 114.554 0.046 0.000 2.881 248 T HA 0.514 4.869 4.350 0.009 0.000 0.290 248 T C -0.604 174.158 174.700 0.103 0.000 1.000 248 T CA -0.963 61.217 62.100 0.133 0.000 0.978 248 T CB 1.227 70.105 68.868 0.017 0.000 0.997 248 T HN 0.530 nan 8.240 nan 0.000 0.443 249 R N 2.051 122.669 120.500 0.196 0.000 2.368 249 R HA 0.646 4.992 4.340 0.009 0.000 0.302 249 R C -1.186 175.106 176.300 -0.013 0.000 1.002 249 R CA -0.718 55.451 56.100 0.116 0.000 0.929 249 R CB 1.158 31.587 30.300 0.214 0.000 1.073 249 R HN 0.624 nan 8.270 nan 0.000 0.464 250 V N 5.280 125.180 119.914 -0.023 0.000 2.304 250 V HA 0.215 4.341 4.120 0.009 0.000 0.278 250 V C 0.005 176.082 176.094 -0.028 0.000 1.018 250 V CA -0.700 61.568 62.300 -0.054 0.000 0.814 250 V CB 1.103 32.910 31.823 -0.027 0.000 1.021 250 V HN 0.657 nan 8.190 nan 0.000 0.440 251 K N 3.515 123.892 120.400 -0.039 0.000 2.292 251 K HA 0.208 4.534 4.320 0.009 0.000 0.290 251 K C 1.154 177.739 176.600 -0.024 0.000 1.083 251 K CA -0.190 56.079 56.287 -0.031 0.000 0.918 251 K CB 1.365 33.840 32.500 -0.042 0.000 1.089 251 K HN 0.648 nan 8.250 nan 0.000 0.473 252 V N 2.916 122.822 119.914 -0.014 0.000 2.358 252 V HA -0.143 3.983 4.120 0.009 0.000 0.246 252 V C 1.091 177.181 176.094 -0.006 0.000 1.047 252 V CA 0.348 62.645 62.300 -0.005 0.000 1.035 252 V CB -0.782 31.041 31.823 -0.001 0.000 0.658 252 V HN 0.737 nan 8.190 nan 0.000 0.452 253 I N 2.115 122.677 120.570 -0.012 0.000 2.730 253 I HA -0.271 3.904 4.170 0.009 0.000 0.128 253 I C 0.971 177.085 176.117 -0.005 0.000 0.882 253 I CA 1.054 62.345 61.300 -0.014 0.000 2.783 253 I CB -0.798 37.186 38.000 -0.026 0.000 0.550 253 I HN 0.589 nan 8.210 nan 0.000 0.352 254 E N 4.659 124.858 120.200 -0.002 0.000 3.884 254 E HA 0.627 4.982 4.350 0.009 0.000 0.434 254 E C 0.046 176.651 176.600 0.007 0.000 0.672 254 E CA -0.441 55.964 56.400 0.008 0.000 2.669 254 E CB 0.436 30.141 29.700 0.008 0.000 2.107 254 E HN 0.764 nan 8.360 nan 0.000 0.613 255 N N -1.767 116.937 118.700 0.006 0.000 3.413 255 N HA 0.015 4.760 4.740 0.009 0.000 0.273 255 N C -0.114 175.373 175.510 -0.039 0.000 1.458 255 N CA -0.650 52.401 53.050 0.001 0.000 0.860 255 N CB 0.248 38.764 38.487 0.048 0.000 1.556 255 N HN 0.369 nan 8.380 nan 0.000 0.475 256 M N -1.137 118.393 119.600 -0.117 0.000 2.175 256 M HA 0.076 4.562 4.480 0.009 0.000 0.264 256 M C -0.241 175.899 176.300 -0.267 0.000 1.063 256 M CA 1.560 56.700 55.300 -0.267 0.000 1.119 256 M CB -0.097 32.212 32.600 -0.486 0.000 1.377 256 M HN 0.630 nan 8.290 nan 0.000 0.415 257 Y N 1.124 121.432 120.300 0.012 0.000 2.976 257 Y HA 0.394 4.950 4.550 0.009 0.000 0.389 257 Y C 1.062 176.980 175.900 0.031 0.000 1.072 257 Y CA 0.424 58.536 58.100 0.021 0.000 1.809 257 Y CB -0.829 37.643 38.460 0.019 0.000 1.736 257 Y HN 0.503 nan 8.280 nan 0.000 0.471 258 G N -0.185 108.683 108.800 0.112 0.000 2.443 258 G HA2 -0.126 3.840 3.960 0.009 0.000 0.209 258 G HA3 -0.126 3.840 3.960 0.009 0.000 0.209 258 G C -0.753 174.190 174.900 0.073 0.000 1.176 258 G CA -0.373 44.784 45.100 0.096 0.000 1.074 258 G HN 0.343 nan 8.290 nan 0.000 0.577 259 S N 0.293 116.042 115.700 0.081 0.000 2.789 259 S HA 0.675 5.150 4.470 0.009 0.000 0.286 259 S C -0.037 174.609 174.600 0.078 0.000 1.153 259 S CA -0.341 57.897 58.200 0.064 0.000 1.084 259 S CB 0.528 63.758 63.200 0.051 0.000 1.036 259 S HN 0.698 nan 8.310 nan 0.000 0.484 260 R N 2.608 123.147 120.500 0.065 0.000 2.540 260 R HA 0.507 4.852 4.340 0.009 0.000 0.287 260 R C -0.615 175.710 176.300 0.042 0.000 0.980 260 R CA -0.653 55.488 56.100 0.068 0.000 0.966 260 R CB 1.682 32.016 30.300 0.055 0.000 1.106 260 R HN 0.665 nan 8.270 nan 0.000 0.480 261 E N 2.696 122.922 120.200 0.044 0.000 2.275 261 E HA 0.349 4.704 4.350 0.009 0.000 0.270 261 E C -1.210 175.391 176.600 0.001 0.000 0.882 261 E CA -0.497 55.914 56.400 0.018 0.000 0.758 261 E CB 1.603 31.319 29.700 0.026 0.000 1.195 261 E HN 0.430 nan 8.360 nan 0.000 0.419 262 I N 5.161 125.714 120.570 -0.028 0.000 2.389 262 I HA 0.326 4.502 4.170 0.009 0.000 0.288 262 I C -0.682 175.383 176.117 -0.087 0.000 0.999 262 I CA -0.906 60.364 61.300 -0.050 0.000 1.129 262 I CB 1.285 39.250 38.000 -0.058 0.000 1.288 262 I HN 0.477 nan 8.210 nan 0.000 0.444 263 I N 5.411 125.909 120.570 -0.120 0.000 2.385 263 I HA 0.228 4.403 4.170 0.009 0.000 0.294 263 I C 0.340 176.365 176.117 -0.154 0.000 0.988 263 I CA 0.111 61.285 61.300 -0.210 0.000 1.265 263 I CB 1.680 39.433 38.000 -0.411 0.000 1.388 263 I HN 0.428 nan 8.210 nan 0.000 0.480 264 T N 7.239 121.710 114.554 -0.139 0.000 2.749 264 T HA 0.505 4.861 4.350 0.009 0.000 0.287 264 T C -0.055 174.603 174.700 -0.070 0.000 0.970 264 T CA -0.436 61.589 62.100 -0.125 0.000 0.980 264 T CB 0.313 69.080 68.868 -0.168 0.000 0.924 264 T HN 0.254 nan 8.240 nan 0.000 0.456 265 L N 4.448 125.641 121.223 -0.051 0.000 2.287 265 L HA 0.422 4.768 4.340 0.009 0.000 0.280 265 L C -0.247 176.659 176.870 0.061 0.000 1.055 265 L CA -0.785 54.083 54.840 0.047 0.000 0.863 265 L CB -0.064 42.044 42.059 0.082 0.000 1.245 265 L HN 0.566 nan 8.230 nan 0.000 0.432 266 F N 2.136 122.091 119.950 0.008 0.000 2.608 266 F HA 0.232 4.765 4.527 0.010 0.000 0.380 266 F C 1.552 177.375 175.800 0.037 0.000 1.083 266 F CA 1.546 59.575 58.000 0.047 0.000 1.266 266 F CB 0.695 39.725 39.000 0.051 0.000 1.076 266 F HN 0.723 nan 8.300 nan 0.000 0.574 267 G N 3.006 111.946 108.800 0.232 0.000 2.217 267 G HA2 -0.275 3.691 3.960 0.009 0.000 0.246 267 G HA3 -0.275 3.691 3.960 0.009 0.000 0.246 267 G C -0.056 174.886 174.900 0.070 0.000 0.990 267 G CA -0.124 45.046 45.100 0.117 0.000 0.627 267 G HN 0.544 nan 8.290 nan 0.000 0.522 268 I N 1.444 122.056 120.570 0.070 0.000 2.530 268 I HA 0.479 4.654 4.170 0.009 0.000 0.297 268 I C -0.132 176.025 176.117 0.065 0.000 1.011 268 I CA -0.796 60.550 61.300 0.078 0.000 1.107 268 I CB 2.201 40.278 38.000 0.128 0.000 1.285 268 I HN 0.014 nan 8.210 nan 0.000 0.436 269 S N 4.766 120.511 115.700 0.076 0.000 2.415 269 S HA 0.296 4.772 4.470 0.009 0.000 0.313 269 S C -0.174 174.488 174.600 0.103 0.000 1.067 269 S CA -0.548 57.696 58.200 0.072 0.000 1.099 269 S CB 0.646 63.885 63.200 0.065 0.000 0.991 269 S HN 0.277 nan 8.310 nan 0.000 0.491 270 V N 5.767 125.746 119.914 0.108 0.000 2.455 270 V HA 0.247 4.373 4.120 0.009 0.000 0.273 270 V C -0.002 176.197 176.094 0.174 0.000 1.045 270 V CA -0.074 62.314 62.300 0.146 0.000 0.976 270 V CB 0.340 32.237 31.823 0.123 0.000 0.993 270 V HN 0.713 nan 8.190 nan 0.000 0.475 271 L N 4.341 125.691 121.223 0.213 0.000 2.433 271 L HA 0.401 4.747 4.340 0.009 0.000 0.256 271 L C -0.050 176.969 176.870 0.249 0.000 1.063 271 L CA -0.553 54.451 54.840 0.274 0.000 0.922 271 L CB 1.210 43.417 42.059 0.246 0.000 1.238 271 L HN 0.518 nan 8.230 nan 0.000 0.466 272 D N 0.645 121.136 120.400 0.153 0.000 2.487 272 D HA -0.132 4.514 4.640 0.009 0.000 0.243 272 D C 0.710 177.067 176.300 0.095 0.000 1.154 272 D CA 0.523 54.576 54.000 0.089 0.000 0.876 272 D CB 0.830 41.591 40.800 -0.065 0.000 1.161 272 D HN 0.332 nan 8.370 nan 0.000 0.478 273 Y N 3.536 123.880 120.300 0.073 0.000 2.352 273 Y HA -0.116 4.440 4.550 0.009 0.000 0.292 273 Y C 2.195 178.075 175.900 -0.033 0.000 1.136 273 Y CA 0.863 59.065 58.100 0.170 0.000 1.227 273 Y CB 0.023 38.713 38.460 0.384 0.000 0.991 273 Y HN 0.587 nan 8.280 nan 0.000 0.545 274 I N -0.356 119.972 120.570 -0.403 0.000 2.226 274 I HA -0.339 3.837 4.170 0.009 0.000 0.245 274 I C 1.637 177.552 176.117 -0.337 0.000 1.100 274 I CA 1.871 62.775 61.300 -0.660 0.000 1.374 274 I CB -0.179 37.219 38.000 -1.003 0.000 1.057 274 I HN 0.196 nan 8.210 nan 0.000 0.413 275 D N 0.631 120.841 120.400 -0.318 0.000 2.117 275 D HA -0.151 4.494 4.640 0.009 0.000 0.198 275 D C 2.307 178.498 176.300 -0.180 0.000 0.982 275 D CA 1.207 55.000 54.000 -0.344 0.000 0.828 275 D CB -0.327 40.118 40.800 -0.591 0.000 0.967 275 D HN 0.370 nan 8.370 nan 0.000 0.464 276 L N -0.041 121.129 121.223 -0.089 0.000 2.013 276 L HA -0.242 4.103 4.340 0.009 0.000 0.212 276 L C 2.557 179.140 176.870 -0.478 0.000 1.073 276 L CA 1.319 56.002 54.840 -0.260 0.000 0.753 276 L CB -0.554 41.309 42.059 -0.328 0.000 0.890 276 L HN 0.048 nan 8.230 nan 0.000 0.432 277 Y N 0.670 120.775 120.300 -0.325 0.000 2.145 277 Y HA -0.299 4.257 4.550 0.009 0.000 0.286 277 Y C 2.621 178.416 175.900 -0.175 0.000 1.145 277 Y CA 1.742 59.810 58.100 -0.054 0.000 1.148 277 Y CB 0.012 38.672 38.460 0.333 0.000 0.981 277 Y HN -0.042 nan 8.280 nan 0.000 0.507 278 K N 0.305 120.664 120.400 -0.069 0.000 2.063 278 K HA -0.195 4.131 4.320 0.009 0.000 0.208 278 K C 2.243 178.584 176.600 -0.431 0.000 1.048 278 K CA 1.596 57.754 56.287 -0.216 0.000 0.928 278 K CB -0.127 32.191 32.500 -0.304 0.000 0.713 278 K HN 0.140 nan 8.250 nan 0.000 0.442 279 K N -0.662 119.392 120.400 -0.576 0.000 2.044 279 K HA -0.026 4.300 4.320 0.009 0.000 0.204 279 K C 1.698 177.748 176.600 -0.918 0.000 1.049 279 K CA 1.379 57.196 56.287 -0.784 0.000 0.945 279 K CB 0.093 32.001 32.500 -0.986 0.000 0.724 279 K HN 0.141 nan 8.250 nan 0.000 0.440 280 F N -0.024 119.485 119.950 -0.735 0.000 2.678 280 F HA -0.019 4.514 4.527 0.009 0.000 0.291 280 F C 2.428 177.949 175.800 -0.465 0.000 1.123 280 F CA 0.079 57.636 58.000 -0.738 0.000 1.395 280 F CB 0.181 38.501 39.000 -1.134 0.000 1.121 280 F HN 0.040 nan 8.300 nan 0.000 0.592 281 S N 0.114 115.579 115.700 -0.391 0.000 2.423 281 S HA -0.207 4.268 4.470 0.009 0.000 0.231 281 S C 0.796 175.445 174.600 0.083 0.000 1.014 281 S CA 0.333 58.480 58.200 -0.089 0.000 0.965 281 S CB -1.001 61.709 63.200 -0.817 0.000 0.785 281 S HN 0.350 nan 8.310 nan 0.000 0.495 282 F N 2.379 122.272 119.950 -0.095 0.000 3.074 282 F HA -0.179 4.354 4.527 0.010 0.000 0.287 282 F C 0.585 176.374 175.800 -0.018 0.000 0.932 282 F CA 0.809 58.788 58.000 -0.035 0.000 0.995 282 F CB -2.479 36.525 39.000 0.006 0.000 0.966 282 F HN 0.529 nan 8.300 nan 0.000 0.721 283 T N -2.890 111.680 114.554 0.026 0.000 2.908 283 T HA 0.650 5.006 4.350 0.009 0.000 0.290 283 T C -0.521 174.206 174.700 0.045 0.000 1.034 283 T CA -0.989 61.132 62.100 0.035 0.000 1.010 283 T CB 2.466 71.323 68.868 -0.018 0.000 1.068 283 T HN 0.126 nan 8.240 nan 0.000 0.481 284 N N 1.842 120.561 118.700 0.031 0.000 2.524 284 N HA 0.241 4.987 4.740 0.009 0.000 0.261 284 N C -0.897 174.596 175.510 -0.028 0.000 0.998 284 N CA -0.454 52.627 53.050 0.052 0.000 0.915 284 N CB 1.095 39.601 38.487 0.030 0.000 1.187 284 N HN 0.512 nan 8.380 nan 0.000 0.507 285 Q N 2.949 122.696 119.800 -0.087 0.000 2.222 285 Q HA 0.384 4.730 4.340 0.009 0.000 0.252 285 Q C -1.645 174.098 176.000 -0.429 0.000 0.926 285 Q CA -1.665 53.905 55.803 -0.389 0.000 0.899 285 Q CB 1.417 29.669 28.738 -0.811 0.000 1.250 285 Q HN 0.435 nan 8.270 nan 0.000 0.441 286 P HA -0.067 nan 4.420 nan 0.000 0.225 286 P C 0.121 177.035 177.300 -0.644 0.000 1.156 286 P CA 0.895 63.722 63.100 -0.455 0.000 0.787 286 P CB 0.488 31.969 31.700 -0.365 0.000 0.802 287 S N -2.003 113.148 115.700 -0.914 0.000 2.570 287 S HA 0.452 4.928 4.470 0.009 0.000 0.270 287 S C -1.255 172.936 174.600 -0.682 0.000 1.149 287 S CA -0.619 57.152 58.200 -0.714 0.000 0.837 287 S CB 0.457 63.229 63.200 -0.713 0.000 1.124 287 S HN -0.106 nan 8.310 nan 0.000 0.465 288 Y N 1.674 121.911 120.300 -0.105 0.000 2.698 288 Y HA 0.365 4.921 4.550 0.009 0.000 0.261 288 Y C 1.064 177.146 175.900 0.304 0.000 1.104 288 Y CA -0.335 57.839 58.100 0.123 0.000 1.145 288 Y CB 0.579 39.074 38.460 0.058 0.000 1.191 288 Y HN 0.807 nan 8.280 nan 0.000 0.564 289 S N -0.557 115.279 115.700 0.228 0.000 2.585 289 S HA 0.066 4.541 4.470 0.009 0.000 0.273 289 S C 1.121 175.725 174.600 0.007 0.000 1.339 289 S CA -0.605 57.708 58.200 0.189 0.000 1.028 289 S CB 1.278 64.530 63.200 0.087 0.000 0.906 289 S HN 0.401 nan 8.310 nan 0.000 0.528 290 L N 1.564 122.605 121.223 -0.302 0.000 2.046 290 L HA -0.017 4.329 4.340 0.009 0.000 0.208 290 L C 1.830 178.460 176.870 -0.400 0.000 1.077 290 L CA 1.924 56.302 54.840 -0.771 0.000 0.747 290 L CB -1.352 40.185 42.059 -0.869 0.000 0.896 290 L HN 0.810 nan 8.230 nan 0.000 0.432 291 D N -1.298 118.979 120.400 -0.205 0.000 2.126 291 D HA -0.312 4.333 4.640 0.009 0.000 0.190 291 D C 2.059 178.301 176.300 -0.097 0.000 1.001 291 D CA 1.993 55.915 54.000 -0.129 0.000 0.841 291 D CB -0.423 40.350 40.800 -0.045 0.000 0.949 291 D HN 0.478 nan 8.370 nan 0.000 0.446 292 Y N 0.441 120.661 120.300 -0.132 0.000 2.145 292 Y HA -0.197 4.359 4.550 0.010 0.000 0.286 292 Y C 2.275 178.119 175.900 -0.092 0.000 1.145 292 Y CA 1.284 59.327 58.100 -0.094 0.000 1.148 292 Y CB -0.231 38.168 38.460 -0.102 0.000 0.981 292 Y HN -0.100 nan 8.280 nan 0.000 0.507 293 I N -0.726 119.812 120.570 -0.053 0.000 2.286 293 I HA -0.271 3.905 4.170 0.009 0.000 0.245 293 I C 2.512 178.547 176.117 -0.136 0.000 1.104 293 I CA 1.425 62.650 61.300 -0.126 0.000 1.397 293 I CB -0.708 37.114 38.000 -0.297 0.000 1.072 293 I HN 0.060 nan 8.210 nan 0.000 0.417 294 S N -0.086 115.470 115.700 -0.241 0.000 2.365 294 S HA -0.304 4.171 4.470 0.009 0.000 0.225 294 S C 2.030 176.545 174.600 -0.142 0.000 1.039 294 S CA 1.872 59.951 58.200 -0.202 0.000 1.033 294 S CB -0.362 62.695 63.200 -0.237 0.000 0.887 294 S HN 0.533 nan 8.310 nan 0.000 0.447 295 E N 0.087 120.189 120.200 -0.163 0.000 2.031 295 E HA -0.167 4.189 4.350 0.009 0.000 0.193 295 E C 1.869 178.382 176.600 -0.144 0.000 0.994 295 E CA 1.104 57.403 56.400 -0.169 0.000 0.800 295 E CB -0.269 29.300 29.700 -0.219 0.000 0.752 295 E HN 0.497 nan 8.360 nan 0.000 0.447 296 F N 1.426 121.197 119.950 -0.299 0.000 2.126 296 F HA -0.208 4.325 4.527 0.010 0.000 0.299 296 F C 2.128 177.884 175.800 -0.073 0.000 1.096 296 F CA 1.652 59.532 58.000 -0.200 0.000 1.255 296 F CB 0.163 39.056 39.000 -0.178 0.000 0.997 296 F HN 0.046 nan 8.300 nan 0.000 0.479 297 E N 0.023 120.281 120.200 0.098 0.000 2.102 297 E HA 0.035 4.391 4.350 0.009 0.000 0.190 297 E C 2.040 178.617 176.600 -0.038 0.000 0.971 297 E CA 1.201 57.652 56.400 0.085 0.000 0.821 297 E CB -0.176 29.642 29.700 0.197 0.000 0.777 297 E HN 0.454 nan 8.360 nan 0.000 0.460 298 L N 0.040 121.226 121.223 -0.061 0.000 2.731 298 L HA 0.247 4.593 4.340 0.009 0.000 0.240 298 L C 0.326 177.151 176.870 -0.076 0.000 1.120 298 L CA -0.216 54.587 54.840 -0.061 0.000 0.913 298 L CB -0.002 42.004 42.059 -0.088 0.000 1.213 298 L HN -0.006 nan 8.230 nan 0.000 0.515 299 N N 0.857 119.493 118.700 -0.107 0.000 2.754 299 N HA -0.155 4.590 4.740 0.009 0.000 0.248 299 N C -0.444 175.009 175.510 -0.096 0.000 1.093 299 N CA 0.863 53.847 53.050 -0.109 0.000 0.699 299 N CB -1.077 37.353 38.487 -0.094 0.000 1.016 299 N HN 0.281 nan 8.380 nan 0.000 0.552 300 V N -2.838 117.014 119.914 -0.104 0.000 2.834 300 V HA 0.984 5.110 4.120 0.009 0.000 0.313 300 V C 1.683 177.715 176.094 -0.103 0.000 1.060 300 V CA -0.274 61.966 62.300 -0.099 0.000 0.989 300 V CB 1.489 33.248 31.823 -0.107 0.000 1.041 300 V HN 0.185 nan 8.190 nan 0.000 0.459 301 G N 0.918 109.665 108.800 -0.088 0.000 2.447 301 G HA2 0.164 4.130 3.960 0.009 0.000 0.269 301 G HA3 0.164 4.130 3.960 0.009 0.000 0.269 301 G C 0.422 175.265 174.900 -0.095 0.000 1.455 301 G CA 0.145 45.197 45.100 -0.080 0.000 1.061 301 G HN 0.928 nan 8.290 nan 0.000 0.545 302 K N -1.870 118.483 120.400 -0.078 0.000 2.352 302 K HA 0.196 4.521 4.320 0.009 0.000 0.194 302 K C -0.057 176.477 176.600 -0.109 0.000 1.038 302 K CA -0.328 55.913 56.287 -0.076 0.000 1.023 302 K CB 0.008 32.481 32.500 -0.044 0.000 0.840 302 K HN 0.156 nan 8.250 nan 0.000 0.519 303 L N 1.835 122.965 121.223 -0.155 0.000 3.523 303 L HA -0.188 4.157 4.340 0.009 0.000 0.668 303 L C -1.092 175.781 176.870 0.006 0.000 1.211 303 L CA 0.801 55.441 54.840 -0.333 0.000 1.096 303 L CB -1.071 40.600 42.059 -0.645 0.000 1.617 303 L HN 0.091 nan 8.230 nan 0.000 0.873 304 K N 2.108 122.605 120.400 0.161 0.000 2.218 304 K HA 0.646 4.972 4.320 0.009 0.000 0.276 304 K C -0.122 176.719 176.600 0.402 0.000 1.022 304 K CA -0.134 56.257 56.287 0.173 0.000 0.946 304 K CB 1.092 33.639 32.500 0.078 0.000 1.000 304 K HN 0.464 nan 8.250 nan 0.000 0.468 305 Y N -1.803 118.618 120.300 0.202 0.000 2.625 305 Y HA 0.476 5.031 4.550 0.009 0.000 0.338 305 Y C -0.827 175.129 175.900 0.093 0.000 1.123 305 Y CA -1.446 56.742 58.100 0.147 0.000 1.046 305 Y CB 1.054 39.612 38.460 0.165 0.000 1.299 305 Y HN 0.298 nan 8.280 nan 0.000 0.464 306 D N 0.655 121.205 120.400 0.250 0.000 2.253 306 D HA 0.500 5.145 4.640 0.009 0.000 0.249 306 D C 0.621 177.053 176.300 0.219 0.000 1.049 306 D CA 1.048 55.135 54.000 0.145 0.000 0.929 306 D CB 1.403 42.263 40.800 0.100 0.000 1.176 306 D HN 1.148 nan 8.370 nan 0.000 0.437 307 G N 1.363 110.242 108.800 0.132 0.000 2.749 307 G HA2 -0.167 3.798 3.960 0.009 0.000 0.242 307 G HA3 -0.167 3.798 3.960 0.009 0.000 0.242 307 G C -2.556 172.482 174.900 0.231 0.000 1.364 307 G CA -0.910 44.274 45.100 0.141 0.000 0.888 307 G HN 0.484 nan 8.290 nan 0.000 0.566 308 P HA 0.387 nan 4.420 nan 0.000 0.277 308 P C 1.275 178.746 177.300 0.286 0.000 1.271 308 P CA -0.890 62.353 63.100 0.238 0.000 0.795 308 P CB 0.611 32.386 31.700 0.125 0.000 1.101 309 I N 0.550 121.272 120.570 0.254 0.000 2.617 309 I HA -0.151 4.025 4.170 0.009 0.000 0.256 309 I C 1.597 177.730 176.117 0.027 0.000 1.167 309 I CA 1.582 62.923 61.300 0.067 0.000 1.469 309 I CB -0.657 37.384 38.000 0.068 0.000 1.098 309 I HN 0.306 nan 8.210 nan 0.000 0.436 310 S N 0.238 115.949 115.700 0.019 0.000 2.442 310 S HA -0.122 4.354 4.470 0.009 0.000 0.236 310 S C 1.634 176.190 174.600 -0.073 0.000 1.007 310 S CA 0.679 58.846 58.200 -0.056 0.000 0.965 310 S CB -0.296 62.859 63.200 -0.075 0.000 0.773 310 S HN 0.451 nan 8.310 nan 0.000 0.504 311 K N -0.073 120.313 120.400 -0.024 0.000 2.373 311 K HA 0.345 4.671 4.320 0.009 0.000 0.202 311 K C 1.147 177.723 176.600 -0.040 0.000 1.025 311 K CA -0.167 56.104 56.287 -0.027 0.000 1.115 311 K CB 0.144 32.653 32.500 0.014 0.000 0.858 311 K HN 0.197 nan 8.250 nan 0.000 0.525 312 L N 1.482 122.668 121.223 -0.060 0.000 2.072 312 L HA -0.016 4.330 4.340 0.009 0.000 0.205 312 L C 2.308 179.067 176.870 -0.185 0.000 1.079 312 L CA 1.611 56.411 54.840 -0.066 0.000 0.752 312 L CB -0.244 41.777 42.059 -0.064 0.000 0.906 312 L HN 0.042 nan 8.230 nan 0.000 0.436 313 R N -0.294 119.869 120.500 -0.561 0.000 2.105 313 R HA -0.227 4.119 4.340 0.009 0.000 0.239 313 R C 2.223 178.383 176.300 -0.233 0.000 1.135 313 R CA 1.895 57.525 56.100 -0.784 0.000 0.967 313 R CB -0.198 29.390 30.300 -1.186 0.000 0.861 313 R HN 0.745 nan 8.270 nan 0.000 0.442 314 E N -0.218 119.888 120.200 -0.157 0.000 2.028 314 E HA -0.135 4.221 4.350 0.009 0.000 0.190 314 E C 1.785 178.373 176.600 -0.020 0.000 0.984 314 E CA 1.579 57.944 56.400 -0.059 0.000 0.800 314 E CB -0.241 29.440 29.700 -0.031 0.000 0.758 314 E HN 0.337 nan 8.360 nan 0.000 0.448 315 S N 0.252 115.943 115.700 -0.016 0.000 2.387 315 S HA -0.087 4.389 4.470 0.009 0.000 0.226 315 S C 1.120 175.733 174.600 0.020 0.000 1.026 315 S CA 0.920 59.126 58.200 0.010 0.000 0.972 315 S CB -0.049 63.163 63.200 0.021 0.000 0.814 315 S HN 0.253 nan 8.310 nan 0.000 0.477 316 N N 0.303 119.014 118.700 0.018 0.000 2.722 316 N HA 0.158 4.904 4.740 0.009 0.000 0.242 316 N C 0.130 175.679 175.510 0.065 0.000 1.398 316 N CA -0.368 52.702 53.050 0.034 0.000 0.755 316 N CB 0.017 38.509 38.487 0.007 0.000 1.268 316 N HN 0.423 nan 8.380 nan 0.000 0.522 317 H N 0.687 119.763 119.070 0.012 0.000 2.387 317 H HA -0.158 4.404 4.556 0.010 0.000 0.299 317 H C 1.201 176.633 175.328 0.174 0.000 1.099 317 H CA 1.928 58.021 56.048 0.075 0.000 1.315 317 H CB 0.660 30.463 29.762 0.068 0.000 1.380 317 H HN 0.464 nan 8.280 nan 0.000 0.513 318 Q N 1.414 121.273 119.800 0.097 0.000 2.029 318 Q HA -0.212 4.133 4.340 0.009 0.000 0.209 318 Q C 2.592 178.622 176.000 0.049 0.000 0.999 318 Q CA 2.369 58.224 55.803 0.088 0.000 0.857 318 Q CB -0.427 28.329 28.738 0.029 0.000 0.926 318 Q HN 0.410 nan 8.270 nan 0.000 0.415 319 R N -1.555 118.901 120.500 -0.073 0.000 2.115 319 R HA -0.130 4.216 4.340 0.009 0.000 0.226 319 R C 2.190 178.298 176.300 -0.321 0.000 1.100 319 R CA 1.051 56.971 56.100 -0.300 0.000 0.980 319 R CB -0.452 29.585 30.300 -0.439 0.000 0.875 319 R HN 0.423 nan 8.270 nan 0.000 0.445 320 Y N 0.739 120.870 120.300 -0.281 0.000 2.128 320 Y HA -0.264 4.292 4.550 0.009 0.000 0.284 320 Y C 1.773 177.564 175.900 -0.180 0.000 1.154 320 Y CA 1.681 59.654 58.100 -0.212 0.000 1.149 320 Y CB -0.003 38.370 38.460 -0.145 0.000 0.976 320 Y HN 0.029 nan 8.280 nan 0.000 0.505 321 I N -0.991 119.483 120.570 -0.161 0.000 2.286 321 I HA -0.235 3.941 4.170 0.009 0.000 0.245 321 I C 2.427 178.359 176.117 -0.310 0.000 1.104 321 I CA 1.402 62.509 61.300 -0.322 0.000 1.397 321 I CB -1.604 36.071 38.000 -0.543 0.000 1.072 321 I HN 0.154 nan 8.210 nan 0.000 0.417 322 S N -0.001 115.635 115.700 -0.107 0.000 2.368 322 S HA -0.168 4.308 4.470 0.009 0.000 0.225 322 S C 2.083 176.776 174.600 0.154 0.000 1.030 322 S CA 1.129 59.371 58.200 0.070 0.000 0.999 322 S CB -0.472 62.880 63.200 0.253 0.000 0.844 322 S HN 0.421 nan 8.310 nan 0.000 0.459 323 Y N 1.946 122.193 120.300 -0.087 0.000 2.274 323 Y HA -0.143 4.413 4.550 0.009 0.000 0.290 323 Y C 2.815 178.631 175.900 -0.140 0.000 1.145 323 Y CA 0.675 58.717 58.100 -0.098 0.000 1.203 323 Y CB -0.231 38.168 38.460 -0.102 0.000 0.984 323 Y HN 0.381 nan 8.280 nan 0.000 0.533 324 N N 1.156 119.826 118.700 -0.049 0.000 2.142 324 N HA -0.179 4.567 4.740 0.009 0.000 0.186 324 N C 1.661 177.154 175.510 -0.027 0.000 1.023 324 N CA 1.228 54.222 53.050 -0.093 0.000 0.852 324 N CB -0.151 38.228 38.487 -0.181 0.000 0.998 324 N HN 0.337 nan 8.380 nan 0.000 0.424 325 I N 0.980 121.509 120.570 -0.068 0.000 2.202 325 I HA -0.237 3.939 4.170 0.009 0.000 0.242 325 I C 2.216 178.315 176.117 -0.029 0.000 1.091 325 I CA 0.887 62.144 61.300 -0.072 0.000 1.368 325 I CB -0.231 37.630 38.000 -0.231 0.000 1.058 325 I HN 0.104 nan 8.210 nan 0.000 0.410 326 I N 1.400 121.963 120.570 -0.011 0.000 2.286 326 I HA -0.284 3.891 4.170 0.009 0.000 0.248 326 I C 2.784 178.910 176.117 0.015 0.000 1.115 326 I CA 1.830 63.144 61.300 0.022 0.000 1.392 326 I CB -1.061 36.943 38.000 0.006 0.000 1.065 326 I HN 0.358 nan 8.210 nan 0.000 0.418 327 D N 0.476 120.866 120.400 -0.015 0.000 2.123 327 D HA -0.129 4.516 4.640 0.009 0.000 0.196 327 D C 2.200 178.517 176.300 0.028 0.000 0.992 327 D CA 1.787 55.763 54.000 -0.040 0.000 0.833 327 D CB -0.754 40.022 40.800 -0.041 0.000 0.954 327 D HN 0.143 nan 8.370 nan 0.000 0.455 328 V N -0.587 119.402 119.914 0.125 0.000 2.358 328 V HA -0.128 3.998 4.120 0.009 0.000 0.246 328 V C 2.371 178.624 176.094 0.265 0.000 1.047 328 V CA 1.486 63.921 62.300 0.225 0.000 1.035 328 V CB -0.641 31.396 31.823 0.357 0.000 0.658 328 V HN 0.663 nan 8.190 nan 0.000 0.452 329 Y N 1.432 121.808 120.300 0.127 0.000 2.181 329 Y HA -0.202 4.354 4.550 0.009 0.000 0.288 329 Y C 2.611 178.500 175.900 -0.018 0.000 1.146 329 Y CA 1.631 59.792 58.100 0.101 0.000 1.164 329 Y CB -0.459 37.987 38.460 -0.025 0.000 0.982 329 Y HN 0.110 nan 8.280 nan 0.000 0.515 330 R N -0.595 119.832 120.500 -0.122 0.000 2.096 330 R HA -0.176 4.170 4.340 0.009 0.000 0.240 330 R C 2.274 178.413 176.300 -0.268 0.000 1.139 330 R CA 2.027 57.967 56.100 -0.266 0.000 0.952 330 R CB -0.775 29.382 30.300 -0.239 0.000 0.854 330 R HN 0.270 nan 8.270 nan 0.000 0.436 331 V N 0.579 120.377 119.914 -0.193 0.000 2.343 331 V HA -0.235 3.891 4.120 0.009 0.000 0.247 331 V C 2.056 177.969 176.094 -0.300 0.000 1.051 331 V CA 1.350 63.502 62.300 -0.247 0.000 1.036 331 V CB -0.483 31.279 31.823 -0.101 0.000 0.654 331 V HN 0.217 nan 8.190 nan 0.000 0.451 332 L N -0.250 120.860 121.223 -0.187 0.000 2.046 332 L HA -0.197 4.149 4.340 0.009 0.000 0.208 332 L C 2.546 179.289 176.870 -0.212 0.000 1.077 332 L CA 1.812 56.554 54.840 -0.164 0.000 0.747 332 L CB -1.381 40.625 42.059 -0.089 0.000 0.896 332 L HN 0.419 nan 8.230 nan 0.000 0.432 333 Q N -0.842 118.747 119.800 -0.352 0.000 2.084 333 Q HA -0.176 4.170 4.340 0.009 0.000 0.202 333 Q C 2.316 178.199 176.000 -0.194 0.000 0.978 333 Q CA 1.473 57.078 55.803 -0.330 0.000 0.844 333 Q CB -0.138 28.317 28.738 -0.471 0.000 0.898 333 Q HN 0.472 nan 8.270 nan 0.000 0.426 334 I N 0.700 121.153 120.570 -0.195 0.000 2.163 334 I HA -0.291 3.885 4.170 0.009 0.000 0.243 334 I C 1.965 178.032 176.117 -0.083 0.000 1.085 334 I CA 1.470 62.711 61.300 -0.099 0.000 1.347 334 I CB -0.295 37.681 38.000 -0.040 0.000 1.044 334 I HN 0.206 nan 8.210 nan 0.000 0.408 335 D N 0.792 121.105 120.400 -0.144 0.000 2.178 335 D HA -0.148 4.498 4.640 0.009 0.000 0.201 335 D C 2.155 178.432 176.300 -0.037 0.000 0.980 335 D CA 1.243 55.231 54.000 -0.020 0.000 0.842 335 D CB 0.087 40.910 40.800 0.038 0.000 0.948 335 D HN 0.321 nan 8.370 nan 0.000 0.472 336 A N 0.254 123.041 122.820 -0.054 0.000 2.019 336 A HA -0.182 4.144 4.320 0.009 0.000 0.219 336 A C 2.073 179.615 177.584 -0.069 0.000 1.164 336 A CA 1.454 53.468 52.037 -0.038 0.000 0.644 336 A CB -0.476 18.512 19.000 -0.019 0.000 0.805 336 A HN 0.217 nan 8.150 nan 0.000 0.449 337 K N -1.289 119.057 120.400 -0.091 0.000 2.044 337 K HA -0.036 4.289 4.320 0.009 0.000 0.204 337 K C 2.076 178.575 176.600 -0.168 0.000 1.045 337 K CA 0.545 56.762 56.287 -0.118 0.000 0.951 337 K CB -0.100 32.346 32.500 -0.091 0.000 0.738 337 K HN 0.186 nan 8.250 nan 0.000 0.443 338 R N 0.679 121.028 120.500 -0.252 0.000 2.161 338 R HA 0.058 4.403 4.340 0.009 0.000 0.213 338 R C 0.372 176.333 176.300 -0.565 0.000 1.055 338 R CA 0.564 56.331 56.100 -0.555 0.000 0.996 338 R CB -0.157 29.476 30.300 -1.111 0.000 0.901 338 R HN 0.398 nan 8.270 nan 0.000 0.456 339 Q N -0.547 119.074 119.800 -0.298 0.000 2.502 339 Q HA -0.183 4.163 4.340 0.009 0.000 0.273 339 Q C 0.248 176.262 176.000 0.023 0.000 1.127 339 Q CA 0.708 56.449 55.803 -0.105 0.000 0.952 339 Q CB -1.951 26.731 28.738 -0.094 0.000 1.333 339 Q HN 0.210 nan 8.270 nan 0.000 0.494 340 F N -0.145 119.877 119.950 0.120 0.000 2.259 340 F HA -0.072 4.460 4.527 0.010 0.000 0.298 340 F C 2.360 178.166 175.800 0.010 0.000 1.088 340 F CA 0.379 58.390 58.000 0.018 0.000 1.358 340 F CB -0.258 38.791 39.000 0.083 0.000 1.040 340 F HN 0.183 nan 8.300 nan 0.000 0.505 341 I N 0.304 121.062 120.570 0.313 0.000 2.179 341 I HA -0.310 3.866 4.170 0.009 0.000 0.242 341 I C 2.283 178.464 176.117 0.106 0.000 1.088 341 I CA 1.530 62.958 61.300 0.213 0.000 1.357 341 I CB -1.621 36.532 38.000 0.255 0.000 1.051 341 I HN 0.195 nan 8.210 nan 0.000 0.409 342 N N 1.677 120.428 118.700 0.086 0.000 2.036 342 N HA -0.224 4.522 4.740 0.009 0.000 0.195 342 N C 2.035 177.541 175.510 -0.007 0.000 1.037 342 N CA 1.464 54.539 53.050 0.041 0.000 0.855 342 N CB -0.393 38.089 38.487 -0.008 0.000 1.033 342 N HN 0.334 nan 8.380 nan 0.000 0.423 343 L N -0.077 121.099 121.223 -0.080 0.000 2.013 343 L HA -0.191 4.155 4.340 0.009 0.000 0.212 343 L C 1.870 178.602 176.870 -0.229 0.000 1.073 343 L CA 1.743 56.452 54.840 -0.218 0.000 0.753 343 L CB -0.525 41.282 42.059 -0.421 0.000 0.890 343 L HN 0.292 nan 8.230 nan 0.000 0.432 344 S N -0.029 115.558 115.700 -0.189 0.000 2.402 344 S HA -0.131 4.345 4.470 0.009 0.000 0.229 344 S C 1.861 176.348 174.600 -0.188 0.000 1.021 344 S CA 1.051 59.148 58.200 -0.173 0.000 0.974 344 S CB -0.223 62.915 63.200 -0.104 0.000 0.800 344 S HN 0.359 nan 8.310 nan 0.000 0.484 345 L N 1.346 122.480 121.223 -0.147 0.000 2.005 345 L HA -0.135 4.210 4.340 0.009 0.000 0.207 345 L C 2.278 179.013 176.870 -0.224 0.000 1.072 345 L CA 1.209 55.886 54.840 -0.271 0.000 0.744 345 L CB -0.831 41.131 42.059 -0.162 0.000 0.895 345 L HN 0.150 nan 8.230 nan 0.000 0.433 346 D N 0.077 120.477 120.400 0.001 0.000 2.160 346 D HA -0.255 4.390 4.640 0.009 0.000 0.189 346 D C 2.296 178.614 176.300 0.030 0.000 1.003 346 D CA 1.760 55.819 54.000 0.097 0.000 0.846 346 D CB -0.171 40.653 40.800 0.039 0.000 0.949 346 D HN 0.247 nan 8.370 nan 0.000 0.446 347 M N -0.266 119.282 119.600 -0.087 0.000 2.123 347 M HA -0.016 4.470 4.480 0.009 0.000 0.263 347 M C 2.431 178.695 176.300 -0.061 0.000 1.069 347 M CA 1.530 56.771 55.300 -0.099 0.000 1.133 347 M CB -0.640 31.857 32.600 -0.172 0.000 1.356 347 M HN 0.058 nan 8.290 nan 0.000 0.415 348 G N -0.176 108.524 108.800 -0.167 0.000 2.491 348 G HA2 -0.254 3.712 3.960 0.009 0.000 0.218 348 G HA3 -0.254 3.712 3.960 0.009 0.000 0.218 348 G C 1.123 175.923 174.900 -0.167 0.000 1.180 348 G CA 1.113 46.081 45.100 -0.220 0.000 0.774 348 G HN 0.351 nan 8.290 nan 0.000 0.562 349 Y N -1.031 119.209 120.300 -0.099 0.000 2.337 349 Y HA 0.058 4.613 4.550 0.009 0.000 0.293 349 Y C 2.379 178.290 175.900 0.018 0.000 1.123 349 Y CA 0.240 58.275 58.100 -0.109 0.000 1.201 349 Y CB -0.784 37.490 38.460 -0.310 0.000 1.011 349 Y HN 0.348 nan 8.280 nan 0.000 0.545 350 Y N 0.128 120.473 120.300 0.077 0.000 2.224 350 Y HA -0.205 4.351 4.550 0.010 0.000 0.289 350 Y C 2.298 178.212 175.900 0.022 0.000 1.146 350 Y CA 1.615 59.742 58.100 0.045 0.000 1.182 350 Y CB -0.182 38.277 38.460 -0.002 0.000 0.983 350 Y HN 0.021 nan 8.280 nan 0.000 0.524 351 A N -0.403 122.526 122.820 0.182 0.000 2.095 351 A HA 0.145 4.471 4.320 0.009 0.000 0.212 351 A C 0.793 178.429 177.584 0.087 0.000 1.162 351 A CA 0.450 52.551 52.037 0.105 0.000 0.753 351 A CB -0.141 18.903 19.000 0.073 0.000 0.840 351 A HN 0.392 nan 8.150 nan 0.000 0.468 352 K N -0.341 120.140 120.400 0.136 0.000 3.353 352 K HA -0.139 4.187 4.320 0.009 0.000 0.272 352 K C -0.419 176.242 176.600 0.102 0.000 1.071 352 K CA 0.895 57.294 56.287 0.187 0.000 0.789 352 K CB -2.136 30.439 32.500 0.124 0.000 1.325 352 K HN 0.805 nan 8.250 nan 0.000 0.464 353 I N -3.542 117.088 120.570 0.100 0.000 3.206 353 I HA 0.339 4.515 4.170 0.009 0.000 0.313 353 I C 0.058 176.188 176.117 0.020 0.000 1.103 353 I CA -1.517 59.800 61.300 0.030 0.000 0.985 353 I CB 1.402 39.417 38.000 0.025 0.000 1.240 353 I HN -0.011 nan 8.210 nan 0.000 0.464 354 Q N 1.521 121.319 119.800 -0.004 0.000 2.300 354 Q HA 0.155 4.501 4.340 0.009 0.000 0.280 354 Q C 0.890 176.885 176.000 -0.008 0.000 1.033 354 Q CA -0.389 55.425 55.803 0.019 0.000 0.903 354 Q CB 1.227 29.968 28.738 0.005 0.000 1.195 354 Q HN 0.508 nan 8.270 nan 0.000 0.386 355 I N 2.488 123.040 120.570 -0.030 0.000 2.248 355 I HA -0.335 3.841 4.170 0.009 0.000 0.248 355 I C 2.420 178.480 176.117 -0.096 0.000 1.107 355 I CA 1.618 62.843 61.300 -0.124 0.000 1.373 355 I CB -1.292 36.612 38.000 -0.161 0.000 1.055 355 I HN 0.774 nan 8.210 nan 0.000 0.418 356 Q N 0.135 119.924 119.800 -0.019 0.000 2.437 356 Q HA -0.087 4.259 4.340 0.009 0.000 0.210 356 Q C 1.757 177.797 176.000 0.066 0.000 0.972 356 Q CA 1.186 57.021 55.803 0.054 0.000 0.903 356 Q CB -0.733 28.074 28.738 0.115 0.000 0.967 356 Q HN 0.311 nan 8.270 nan 0.000 0.486 357 S N 1.227 116.927 115.700 -0.000 0.000 2.607 357 S HA -0.018 4.458 4.470 0.009 0.000 0.224 357 S C 1.826 176.399 174.600 -0.046 0.000 0.969 357 S CA 0.679 58.884 58.200 0.007 0.000 0.927 357 S CB -0.240 62.962 63.200 0.004 0.000 0.772 357 S HN 0.508 nan 8.310 nan 0.000 0.533 358 V N -1.318 118.499 119.914 -0.161 0.000 2.720 358 V HA -0.083 4.043 4.120 0.009 0.000 0.256 358 V C 1.530 177.476 176.094 -0.246 0.000 1.082 358 V CA 1.482 63.656 62.300 -0.212 0.000 1.101 358 V CB -1.292 30.388 31.823 -0.238 0.000 0.693 358 V HN 0.416 nan 8.190 nan 0.000 0.479 359 F N 1.566 121.472 119.950 -0.074 0.000 2.641 359 F HA 0.203 4.736 4.527 0.009 0.000 0.298 359 F C 1.640 177.377 175.800 -0.104 0.000 1.146 359 F CA 1.125 59.038 58.000 -0.145 0.000 1.464 359 F CB -0.420 38.478 39.000 -0.170 0.000 1.101 359 F HN 0.292 nan 8.300 nan 0.000 0.585 360 S N 1.173 116.919 115.700 0.076 0.000 2.622 360 S HA 0.295 4.771 4.470 0.009 0.000 0.283 360 S C -1.582 173.055 174.600 0.061 0.000 1.197 360 S CA -1.691 56.546 58.200 0.063 0.000 1.146 360 S CB 0.858 64.093 63.200 0.058 0.000 1.007 360 S HN -0.200 nan 8.310 nan 0.000 0.478 361 P HA -0.099 nan 4.420 nan 0.000 0.218 361 P C 1.375 178.812 177.300 0.229 0.000 1.148 361 P CA 1.046 64.230 63.100 0.139 0.000 0.822 361 P CB 0.118 31.919 31.700 0.169 0.000 0.784 362 I N -0.474 120.204 120.570 0.179 0.000 2.252 362 I HA -0.207 3.969 4.170 0.009 0.000 0.245 362 I C 2.564 178.868 176.117 0.312 0.000 1.102 362 I CA 1.357 62.808 61.300 0.251 0.000 1.385 362 I CB -0.335 37.811 38.000 0.242 0.000 1.064 362 I HN -0.119 nan 8.210 nan 0.000 0.414 363 K N 0.749 121.264 120.400 0.192 0.000 2.097 363 K HA -0.120 4.205 4.320 0.009 0.000 0.205 363 K C 1.948 178.643 176.600 0.159 0.000 1.050 363 K CA 1.832 58.213 56.287 0.157 0.000 0.938 363 K CB -0.544 32.006 32.500 0.083 0.000 0.718 363 K HN 0.153 nan 8.250 nan 0.000 0.442 364 T N -0.541 114.073 114.554 0.100 0.000 2.708 364 T HA -0.132 4.224 4.350 0.009 0.000 0.266 364 T C 1.452 176.170 174.700 0.030 0.000 1.037 364 T CA 1.746 63.839 62.100 -0.012 0.000 1.146 364 T CB -0.385 68.381 68.868 -0.171 0.000 0.865 364 T HN 0.404 nan 8.240 nan 0.000 0.435 365 W N 1.090 122.521 121.300 0.218 0.000 2.453 365 W HA 0.030 4.695 4.660 0.009 0.000 0.289 365 W C 2.281 179.045 176.519 0.408 0.000 1.215 365 W CA 0.161 57.683 57.345 0.294 0.000 1.297 365 W CB -0.193 29.431 29.460 0.273 0.000 1.113 365 W HN 0.238 nan 8.180 nan 0.000 0.551 366 D N 0.225 121.027 120.400 0.670 0.000 2.133 366 D HA -0.224 4.422 4.640 0.009 0.000 0.195 366 D C 2.163 178.733 176.300 0.449 0.000 0.997 366 D CA 2.155 56.472 54.000 0.527 0.000 0.840 366 D CB -0.333 40.679 40.800 0.352 0.000 0.947 366 D HN 0.029 nan 8.370 nan 0.000 0.452 367 A N -0.100 122.939 122.820 0.365 0.000 1.872 367 A HA -0.060 4.265 4.320 0.009 0.000 0.214 367 A C 2.480 180.252 177.584 0.312 0.000 1.187 367 A CA 1.077 53.329 52.037 0.359 0.000 0.614 367 A CB -0.731 18.412 19.000 0.238 0.000 0.826 367 A HN 0.335 nan 8.150 nan 0.000 0.442 368 I N -0.239 120.492 120.570 0.269 0.000 2.163 368 I HA -0.282 3.893 4.170 0.009 0.000 0.243 368 I C 2.290 178.570 176.117 0.271 0.000 1.085 368 I CA 1.503 62.942 61.300 0.232 0.000 1.347 368 I CB -0.312 37.834 38.000 0.244 0.000 1.044 368 I HN 0.301 nan 8.210 nan 0.000 0.408 369 I N -0.071 120.730 120.570 0.384 0.000 2.315 369 I HA -0.298 3.878 4.170 0.009 0.000 0.248 369 I C 2.482 178.763 176.117 0.273 0.000 1.117 369 I CA 1.386 62.858 61.300 0.286 0.000 1.404 369 I CB -0.360 37.791 38.000 0.251 0.000 1.071 369 I HN 0.194 nan 8.210 nan 0.000 0.419 370 F N 2.135 122.207 119.950 0.203 0.000 2.046 370 F HA -0.303 4.229 4.527 0.009 0.000 0.297 370 F C 2.468 178.336 175.800 0.113 0.000 1.123 370 F CA 1.799 59.893 58.000 0.157 0.000 1.199 370 F CB -0.317 38.774 39.000 0.153 0.000 0.972 370 F HN 0.064 nan 8.300 nan 0.000 0.474 371 N N 0.107 118.603 118.700 -0.341 0.000 2.104 371 N HA -0.222 4.524 4.740 0.009 0.000 0.190 371 N C 2.084 177.460 175.510 -0.225 0.000 1.024 371 N CA 1.524 54.302 53.050 -0.454 0.000 0.853 371 N CB -0.549 37.794 38.487 -0.240 0.000 1.008 371 N HN 0.339 nan 8.380 nan 0.000 0.424 372 S N 0.695 116.347 115.700 -0.079 0.000 2.370 372 S HA -0.063 4.413 4.470 0.009 0.000 0.226 372 S C 1.908 176.489 174.600 -0.033 0.000 1.033 372 S CA 0.679 58.862 58.200 -0.029 0.000 1.011 372 S CB -0.071 63.149 63.200 0.033 0.000 0.852 372 S HN 0.080 nan 8.310 nan 0.000 0.457 373 L N 1.961 123.176 121.223 -0.015 0.000 2.056 373 L HA 0.089 4.434 4.340 0.009 0.000 0.207 373 L C 2.390 179.255 176.870 -0.008 0.000 1.078 373 L CA 1.693 56.540 54.840 0.010 0.000 0.749 373 L CB -1.074 41.033 42.059 0.081 0.000 0.901 373 L HN 0.289 nan 8.230 nan 0.000 0.433 374 K N -0.520 119.828 120.400 -0.088 0.000 2.103 374 K HA -0.196 4.130 4.320 0.009 0.000 0.207 374 K C 1.793 178.375 176.600 -0.029 0.000 1.048 374 K CA 1.035 57.274 56.287 -0.079 0.000 0.930 374 K CB 0.168 32.487 32.500 -0.303 0.000 0.716 374 K HN 0.194 nan 8.250 nan 0.000 0.444 375 E N 0.604 120.772 120.200 -0.053 0.000 2.265 375 E HA -0.158 4.198 4.350 0.009 0.000 0.196 375 E C 0.924 177.524 176.600 0.001 0.000 0.996 375 E CA 1.128 57.514 56.400 -0.023 0.000 0.832 375 E CB 0.101 29.783 29.700 -0.030 0.000 0.756 375 E HN 0.465 nan 8.360 nan 0.000 0.491 376 Q N -0.171 119.633 119.800 0.006 0.000 2.172 376 Q HA 0.180 4.526 4.340 0.009 0.000 0.217 376 Q C -0.244 175.778 176.000 0.035 0.000 0.832 376 Q CA -0.270 55.540 55.803 0.012 0.000 1.010 376 Q CB 0.612 29.351 28.738 0.001 0.000 1.133 376 Q HN 0.048 nan 8.270 nan 0.000 0.489 377 N N 0.860 119.595 118.700 0.058 0.000 2.800 377 N HA -0.159 4.587 4.740 0.009 0.000 0.250 377 N C -0.762 174.833 175.510 0.143 0.000 1.078 377 N CA 1.122 54.237 53.050 0.108 0.000 0.804 377 N CB -0.683 37.817 38.487 0.022 0.000 1.135 377 N HN 0.353 nan 8.380 nan 0.000 0.565 378 K N 0.343 120.796 120.400 0.088 0.000 2.126 378 K HA 0.511 4.836 4.320 0.009 0.000 0.257 378 K C 0.226 176.824 176.600 -0.004 0.000 1.007 378 K CA -0.330 55.998 56.287 0.068 0.000 0.928 378 K CB 1.357 33.882 32.500 0.042 0.000 1.013 378 K HN -0.164 nan 8.250 nan 0.000 0.473 379 V N 3.817 123.696 119.914 -0.058 0.000 2.487 379 V HA 0.271 4.397 4.120 0.009 0.000 0.298 379 V C 0.223 176.306 176.094 -0.019 0.000 1.028 379 V CA -0.996 61.189 62.300 -0.192 0.000 0.860 379 V CB 1.242 32.799 31.823 -0.444 0.000 0.991 379 V HN 0.660 nan 8.190 nan 0.000 0.427 380 I N 3.992 124.597 120.570 0.058 0.000 2.779 380 I HA 0.459 4.635 4.170 0.009 0.000 0.285 380 I C -2.098 174.063 176.117 0.074 0.000 1.134 380 I CA -1.524 59.851 61.300 0.125 0.000 1.398 380 I CB 0.956 39.066 38.000 0.184 0.000 1.404 380 I HN 0.380 nan 8.210 nan 0.000 0.587 381 P HA 0.094 nan 4.420 nan 0.000 0.276 381 P C -1.177 176.112 177.300 -0.017 0.000 1.252 381 P CA -0.345 62.791 63.100 0.061 0.000 0.802 381 P CB 0.708 32.473 31.700 0.107 0.000 1.035 382 Q N 0.200 120.003 119.800 0.004 0.000 2.352 382 Q HA 0.333 4.679 4.340 0.009 0.000 0.260 382 Q C 0.387 176.354 176.000 -0.055 0.000 0.976 382 Q CA -0.356 55.433 55.803 -0.024 0.000 0.881 382 Q CB 0.223 28.952 28.738 -0.016 0.000 1.235 382 Q HN 0.597 nan 8.270 nan 0.000 0.419 383 G N 4.000 112.759 108.800 -0.067 0.000 2.356 383 G HA2 0.197 4.162 3.960 0.009 0.000 0.273 383 G HA3 0.197 4.162 3.960 0.009 0.000 0.273 383 G C -0.469 174.404 174.900 -0.044 0.000 1.213 383 G CA -0.303 44.764 45.100 -0.055 0.000 0.955 383 G HN 0.604 nan 8.290 nan 0.000 0.454 384 R N 0.801 121.266 120.500 -0.059 0.000 2.608 384 R HA 0.624 4.970 4.340 0.009 0.000 0.255 384 R C 0.539 176.652 176.300 -0.313 0.000 1.086 384 R CA -0.553 55.441 56.100 -0.176 0.000 1.125 384 R CB 1.273 31.439 30.300 -0.223 0.000 1.193 384 R HN 0.621 nan 8.270 nan 0.000 0.553 385 S N -0.255 115.169 115.700 -0.459 0.000 2.593 385 S HA 0.530 5.005 4.470 0.009 0.000 0.297 385 S C -0.922 173.225 174.600 -0.755 0.000 1.112 385 S CA -0.785 57.102 58.200 -0.521 0.000 1.043 385 S CB 1.238 64.233 63.200 -0.342 0.000 1.054 385 S HN 0.629 nan 8.310 nan 0.000 0.516 386 H N 0.275 119.120 119.070 -0.376 0.000 2.961 386 H HA 0.617 5.178 4.556 0.009 0.000 0.371 386 H C -2.629 172.526 175.328 -0.288 0.000 1.190 386 H CA -1.314 54.562 56.048 -0.286 0.000 1.138 386 H CB 1.205 30.752 29.762 -0.359 0.000 1.816 386 H HN 0.600 nan 8.280 nan 0.000 0.551 387 P HA 0.098 nan 4.420 nan 0.000 0.279 387 P C -0.451 176.831 177.300 -0.030 0.000 1.239 387 P CA -0.498 62.579 63.100 -0.038 0.000 0.789 387 P CB 1.097 32.800 31.700 0.005 0.000 0.933 388 V N 3.886 123.779 119.914 -0.035 0.000 2.446 388 V HA 0.024 4.149 4.120 0.009 0.000 0.276 388 V C 0.782 176.920 176.094 0.073 0.000 1.030 388 V CA 0.378 62.684 62.300 0.011 0.000 1.033 388 V CB -0.539 31.297 31.823 0.021 0.000 0.993 388 V HN 0.518 nan 8.190 nan 0.000 0.477 389 Q N 5.794 125.675 119.800 0.135 0.000 2.322 389 Q HA 0.439 4.784 4.340 0.009 0.000 0.265 389 Q C -2.397 173.731 176.000 0.213 0.000 0.985 389 Q CA -1.815 54.078 55.803 0.151 0.000 0.849 389 Q CB 2.023 30.850 28.738 0.149 0.000 1.274 389 Q HN 0.539 nan 8.270 nan 0.000 0.449 390 P HA 0.012 nan 4.420 nan 0.000 0.269 390 P C -1.467 175.972 177.300 0.232 0.000 1.215 390 P CA 0.152 63.337 63.100 0.143 0.000 0.780 390 P CB 0.242 31.985 31.700 0.071 0.000 0.898 391 Y N -0.605 119.729 120.300 0.055 0.000 2.597 391 Y HA 0.739 5.294 4.550 0.009 0.000 0.340 391 Y C -2.887 173.045 175.900 0.053 0.000 1.097 391 Y CA -2.844 55.283 58.100 0.044 0.000 1.037 391 Y CB -0.337 38.141 38.460 0.030 0.000 1.305 391 Y HN 0.220 nan 8.280 nan 0.000 0.463 392 P HA 0.545 nan 4.420 nan 0.000 0.281 392 P C -0.324 177.015 177.300 0.066 0.000 1.249 392 P CA -0.040 63.101 63.100 0.069 0.000 0.810 392 P CB 1.952 33.721 31.700 0.116 0.000 1.008 393 G N 0.102 108.925 108.800 0.039 0.000 3.414 393 G HA2 0.588 4.554 3.960 0.009 0.000 0.196 393 G HA3 0.588 4.554 3.960 0.009 0.000 0.196 393 G C -0.463 174.541 174.900 0.174 0.000 1.486 393 G CA -0.025 45.136 45.100 0.101 0.000 0.811 393 G HN 0.748 nan 8.290 nan 0.000 0.704 394 A N -0.830 122.109 122.820 0.197 0.000 2.257 394 A HA 0.662 4.988 4.320 0.009 0.000 0.289 394 A C -1.159 176.561 177.584 0.226 0.000 1.095 394 A CA -0.416 51.763 52.037 0.236 0.000 0.836 394 A CB 0.609 19.738 19.000 0.215 0.000 1.111 394 A HN 0.730 nan 8.150 nan 0.000 0.497 395 F N 0.752 120.755 119.950 0.089 0.000 2.443 395 F HA 0.607 5.140 4.527 0.009 0.000 0.335 395 F C -0.708 175.114 175.800 0.037 0.000 1.104 395 F CA -0.537 57.501 58.000 0.064 0.000 1.013 395 F CB 1.699 40.733 39.000 0.057 0.000 1.136 395 F HN 0.306 nan 8.300 nan 0.000 0.470 396 V N 5.866 125.299 119.914 -0.801 0.000 2.588 396 V HA 0.322 4.448 4.120 0.009 0.000 0.304 396 V C -0.480 175.058 176.094 -0.926 0.000 1.042 396 V CA -1.237 60.698 62.300 -0.608 0.000 0.877 396 V CB 1.619 33.295 31.823 -0.244 0.000 0.996 396 V HN 0.757 nan 8.190 nan 0.000 0.425 397 K N 2.568 122.637 120.400 -0.551 0.000 2.298 397 K HA 0.277 4.603 4.320 0.009 0.000 0.280 397 K C -0.053 176.533 176.600 -0.022 0.000 1.032 397 K CA -0.362 55.790 56.287 -0.225 0.000 0.958 397 K CB 0.894 33.400 32.500 0.010 0.000 0.978 397 K HN 0.757 nan 8.250 nan 0.000 0.472 398 E N 5.881 126.095 120.200 0.024 0.000 2.166 398 E HA 0.156 4.512 4.350 0.009 0.000 0.279 398 E C -2.259 174.407 176.600 0.110 0.000 1.095 398 E CA -1.916 54.538 56.400 0.090 0.000 0.888 398 E CB 0.662 30.401 29.700 0.066 0.000 1.041 398 E HN 0.316 nan 8.360 nan 0.000 0.414 399 P HA 0.269 nan 4.420 nan 0.000 0.287 399 P C -0.480 176.854 177.300 0.057 0.000 1.270 399 P CA -0.495 62.616 63.100 0.018 0.000 0.844 399 P CB 0.915 32.496 31.700 -0.199 0.000 1.068 400 I N 3.541 124.156 120.570 0.075 0.000 2.505 400 I HA 0.111 4.287 4.170 0.009 0.000 0.287 400 I C -1.891 174.351 176.117 0.208 0.000 1.104 400 I CA -1.795 59.584 61.300 0.131 0.000 1.387 400 I CB 0.066 38.149 38.000 0.138 0.000 1.404 400 I HN 0.147 nan 8.210 nan 0.000 0.528 401 P HA 0.170 nan 4.420 nan 0.000 0.268 401 P C -0.643 176.758 177.300 0.169 0.000 1.204 401 P CA 0.094 63.332 63.100 0.229 0.000 0.768 401 P CB 0.566 32.364 31.700 0.163 0.000 0.842 402 N N 0.502 119.329 118.700 0.212 0.000 4.173 402 N HA 0.093 4.839 4.740 0.009 0.000 0.218 402 N C -1.417 174.113 175.510 0.035 0.000 1.312 402 N CA -0.798 52.237 53.050 -0.025 0.000 0.834 402 N CB 0.981 39.252 38.487 -0.360 0.000 1.467 402 N HN 0.318 nan 8.380 nan 0.000 0.468 403 R N 0.432 120.877 120.500 -0.091 0.000 2.560 403 R HA 0.538 4.884 4.340 0.009 0.000 0.270 403 R C -1.033 175.109 176.300 -0.263 0.000 1.074 403 R CA 0.036 56.157 56.100 0.034 0.000 1.140 403 R CB 0.503 30.820 30.300 0.029 0.000 1.073 403 R HN 0.518 nan 8.270 nan 0.000 0.527 404 Y N 0.169 120.608 120.300 0.231 0.000 2.396 404 Y HA 0.246 4.802 4.550 0.009 0.000 0.332 404 Y C 0.654 176.638 175.900 0.141 0.000 1.034 404 Y CA -0.940 57.275 58.100 0.191 0.000 1.057 404 Y CB 2.417 41.023 38.460 0.244 0.000 1.220 404 Y HN 0.685 nan 8.280 nan 0.000 0.440 405 K N 1.847 122.365 120.400 0.198 0.000 2.005 405 K HA 0.088 4.414 4.320 0.009 0.000 0.206 405 K C -0.752 175.724 176.600 -0.206 0.000 1.044 405 K CA 1.176 57.441 56.287 -0.037 0.000 0.942 405 K CB 0.202 32.682 32.500 -0.032 0.000 0.727 405 K HN 0.607 nan 8.250 nan 0.000 0.439 406 Y N 0.009 120.379 120.300 0.117 0.000 2.328 406 Y HA 0.412 4.967 4.550 0.009 0.000 0.336 406 Y C -0.871 175.149 175.900 0.200 0.000 0.960 406 Y CA -1.011 57.138 58.100 0.081 0.000 1.134 406 Y CB 1.971 40.376 38.460 -0.092 0.000 1.166 406 Y HN -0.303 nan 8.280 nan 0.000 0.464 407 V N 5.148 125.289 119.914 0.379 0.000 2.709 407 V HA 0.515 4.641 4.120 0.009 0.000 0.308 407 V C -0.730 175.577 176.094 0.355 0.000 1.062 407 V CA -0.941 61.582 62.300 0.371 0.000 0.901 407 V CB 2.172 34.247 31.823 0.421 0.000 1.003 407 V HN 0.827 nan 8.190 nan 0.000 0.425 408 M N 4.518 124.306 119.600 0.312 0.000 2.213 408 M HA 0.608 5.093 4.480 0.009 0.000 0.286 408 M C -0.366 176.006 176.300 0.119 0.000 1.008 408 M CA -0.151 55.275 55.300 0.211 0.000 0.937 408 M CB 1.962 34.715 32.600 0.254 0.000 1.600 408 M HN 0.800 nan 8.290 nan 0.000 0.450 409 S N 3.302 118.928 115.700 -0.124 0.000 2.690 409 S HA 0.864 5.340 4.470 0.009 0.000 0.291 409 S C -0.956 173.363 174.600 -0.467 0.000 1.138 409 S CA -0.540 57.462 58.200 -0.329 0.000 1.013 409 S CB 1.337 64.101 63.200 -0.726 0.000 1.053 409 S HN 0.573 nan 8.310 nan 0.000 0.539 410 F N -0.127 119.708 119.950 -0.191 0.000 2.581 410 F HA 0.551 5.084 4.527 0.010 0.000 0.311 410 F C -0.407 175.368 175.800 -0.042 0.000 1.113 410 F CA -0.571 57.392 58.000 -0.061 0.000 0.935 410 F CB 2.402 41.398 39.000 -0.007 0.000 1.232 410 F HN 0.759 nan 8.300 nan 0.000 0.445 411 D N 1.864 122.362 120.400 0.162 0.000 2.671 411 D HA 0.622 5.268 4.640 0.009 0.000 0.232 411 D C -1.426 174.957 176.300 0.139 0.000 1.114 411 D CA -0.328 53.743 54.000 0.119 0.000 0.858 411 D CB 1.935 42.772 40.800 0.062 0.000 1.544 411 D HN 0.418 nan 8.370 nan 0.000 0.471 412 L N 2.171 123.458 121.223 0.107 0.000 2.292 412 L HA 0.385 4.731 4.340 0.009 0.000 0.284 412 L C 0.183 177.079 176.870 0.043 0.000 1.065 412 L CA -0.541 54.334 54.840 0.059 0.000 0.806 412 L CB 1.456 43.515 42.059 0.001 0.000 1.175 412 L HN 0.462 nan 8.230 nan 0.000 0.431 413 T N 0.653 115.240 114.554 0.054 0.000 2.834 413 T HA 0.044 4.400 4.350 0.009 0.000 0.298 413 T C 0.623 175.330 174.700 0.010 0.000 0.966 413 T CA -0.548 61.604 62.100 0.087 0.000 1.141 413 T CB 0.675 69.660 68.868 0.195 0.000 0.905 413 T HN 0.660 nan 8.240 nan 0.000 0.535 414 S N 1.863 117.597 115.700 0.056 0.000 3.245 414 S HA -0.144 4.332 4.470 0.009 0.000 0.306 414 S C 1.131 175.681 174.600 -0.084 0.000 0.878 414 S CA -0.044 58.160 58.200 0.006 0.000 1.354 414 S CB -1.131 62.093 63.200 0.041 0.000 0.969 414 S HN 0.705 nan 8.310 nan 0.000 0.493 415 L N 3.064 124.268 121.223 -0.032 0.000 1.961 415 L HA -0.074 4.272 4.340 0.009 0.000 0.210 415 L C 1.933 178.869 176.870 0.109 0.000 1.072 415 L CA 1.997 56.844 54.840 0.012 0.000 0.749 415 L CB -0.601 41.507 42.059 0.081 0.000 0.889 415 L HN 0.595 nan 8.230 nan 0.000 0.432 416 Y N 0.082 120.337 120.300 -0.076 0.000 2.128 416 Y HA -0.111 4.444 4.550 0.010 0.000 0.284 416 Y C -0.125 175.683 175.900 -0.152 0.000 1.154 416 Y CA 1.073 59.122 58.100 -0.085 0.000 1.149 416 Y CB -2.526 35.910 38.460 -0.039 0.000 0.976 416 Y HN 0.323 nan 8.280 nan 0.000 0.505 417 P HA -0.096 nan 4.420 nan 0.000 0.216 417 P C 1.948 179.096 177.300 -0.254 0.000 1.153 417 P CA 2.202 65.223 63.100 -0.131 0.000 0.848 417 P CB 0.012 31.649 31.700 -0.105 0.000 0.787 418 S N -0.577 114.939 115.700 -0.306 0.000 2.370 418 S HA -0.159 4.317 4.470 0.009 0.000 0.226 418 S C 1.875 176.255 174.600 -0.366 0.000 1.033 418 S CA 1.154 59.115 58.200 -0.398 0.000 1.011 418 S CB -1.167 61.781 63.200 -0.421 0.000 0.852 418 S HN 0.111 nan 8.310 nan 0.000 0.457 419 I N 1.180 121.567 120.570 -0.305 0.000 2.179 419 I HA -0.202 3.973 4.170 0.009 0.000 0.242 419 I C 2.062 177.896 176.117 -0.471 0.000 1.088 419 I CA 1.178 62.222 61.300 -0.427 0.000 1.357 419 I CB -0.425 37.381 38.000 -0.323 0.000 1.051 419 I HN 0.264 nan 8.210 nan 0.000 0.409 420 I N 0.589 120.942 120.570 -0.362 0.000 2.118 420 I HA -0.350 3.826 4.170 0.009 0.000 0.241 420 I C 2.750 178.658 176.117 -0.349 0.000 1.070 420 I CA 1.715 62.801 61.300 -0.356 0.000 1.327 420 I CB -0.438 37.394 38.000 -0.280 0.000 1.034 420 I HN 0.210 nan 8.210 nan 0.000 0.405 421 R N 0.231 120.544 120.500 -0.311 0.000 2.075 421 R HA -0.210 4.135 4.340 0.009 0.000 0.232 421 R C 2.284 178.419 176.300 -0.276 0.000 1.126 421 R CA 1.466 57.407 56.100 -0.265 0.000 0.963 421 R CB -0.435 29.717 30.300 -0.248 0.000 0.858 421 R HN 0.454 nan 8.270 nan 0.000 0.435 422 Q N 0.835 120.430 119.800 -0.341 0.000 2.119 422 Q HA -0.106 4.240 4.340 0.009 0.000 0.201 422 Q C 1.646 177.451 176.000 -0.324 0.000 0.972 422 Q CA 1.536 57.145 55.803 -0.323 0.000 0.847 422 Q CB 0.255 28.768 28.738 -0.376 0.000 0.903 422 Q HN 0.183 nan 8.270 nan 0.000 0.433 423 V N 0.716 120.364 119.914 -0.443 0.000 3.174 423 V HA -0.003 4.123 4.120 0.009 0.000 0.254 423 V C 0.398 176.279 176.094 -0.354 0.000 1.120 423 V CA 0.737 62.784 62.300 -0.421 0.000 1.114 423 V CB -0.653 30.817 31.823 -0.588 0.000 0.756 423 V HN 0.668 nan 8.190 nan 0.000 0.467 424 N N 0.255 118.736 118.700 -0.365 0.000 2.806 424 N HA -0.186 4.560 4.740 0.009 0.000 0.248 424 N C -0.590 174.604 175.510 -0.527 0.000 1.081 424 N CA 0.241 53.106 53.050 -0.307 0.000 0.680 424 N CB -1.452 36.957 38.487 -0.131 0.000 0.941 424 N HN 0.535 nan 8.380 nan 0.000 0.554 425 I N 0.413 120.583 120.570 -0.666 0.000 2.352 425 I HA 0.376 4.551 4.170 0.009 0.000 0.290 425 I C 0.614 176.481 176.117 -0.417 0.000 1.036 425 I CA -0.063 60.725 61.300 -0.853 0.000 1.336 425 I CB 1.337 38.897 38.000 -0.734 0.000 1.407 425 I HN 0.266 nan 8.210 nan 0.000 0.497 426 S N 6.960 122.503 115.700 -0.262 0.000 2.558 426 S HA 0.332 4.808 4.470 0.009 0.000 0.277 426 S C -2.109 172.483 174.600 -0.013 0.000 1.143 426 S CA -0.842 57.277 58.200 -0.135 0.000 0.865 426 S CB 1.750 64.871 63.200 -0.131 0.000 1.102 426 S HN 0.338 nan 8.310 nan 0.000 0.454 427 P HA -0.134 nan 4.420 nan 0.000 0.218 427 P C 0.658 178.049 177.300 0.152 0.000 1.146 427 P CA 1.330 64.480 63.100 0.082 0.000 0.813 427 P CB 0.036 31.775 31.700 0.065 0.000 0.778 428 E N -0.246 119.982 120.200 0.047 0.000 2.558 428 E HA 0.046 4.402 4.350 0.009 0.000 0.205 428 E C 0.519 177.224 176.600 0.175 0.000 1.006 428 E CA 0.342 56.788 56.400 0.077 0.000 0.961 428 E CB -0.784 28.844 29.700 -0.120 0.000 1.044 428 E HN 0.221 nan 8.360 nan 0.000 0.465 429 T N -1.690 112.992 114.554 0.213 0.000 3.044 429 T HA 0.354 4.710 4.350 0.009 0.000 0.260 429 T C 0.957 175.845 174.700 0.313 0.000 1.019 429 T CA -0.430 61.863 62.100 0.322 0.000 0.921 429 T CB -0.345 68.651 68.868 0.212 0.000 1.053 429 T HN 0.038 nan 8.240 nan 0.000 0.533 430 I N 2.187 122.877 120.570 0.199 0.000 2.668 430 I HA 0.275 4.450 4.170 0.009 0.000 0.285 430 I C 1.419 177.327 176.117 -0.349 0.000 1.168 430 I CA -0.153 61.068 61.300 -0.132 0.000 1.424 430 I CB 0.826 38.783 38.000 -0.072 0.000 1.377 430 I HN 0.300 nan 8.210 nan 0.000 0.560 431 A N 4.768 127.121 122.820 -0.778 0.000 2.070 431 A HA 0.675 5.001 4.320 0.009 0.000 0.202 431 A C 0.923 178.076 177.584 -0.718 0.000 1.277 431 A CA 0.687 52.042 52.037 -1.138 0.000 0.872 431 A CB 0.297 18.060 19.000 -2.062 0.000 0.933 431 A HN 0.872 nan 8.150 nan 0.000 0.475 432 G N -1.597 106.847 108.800 -0.592 0.000 2.367 432 G HA2 0.474 4.440 3.960 0.009 0.000 0.272 432 G HA3 0.474 4.440 3.960 0.009 0.000 0.272 432 G C -0.545 174.164 174.900 -0.317 0.000 1.271 432 G CA 0.316 45.193 45.100 -0.371 0.000 0.893 432 G HN 0.954 nan 8.290 nan 0.000 0.485 433 T N -1.821 112.616 114.554 -0.195 0.000 2.887 433 T HA 0.863 5.218 4.350 0.009 0.000 0.292 433 T C -0.677 174.015 174.700 -0.013 0.000 1.087 433 T CA -0.367 61.622 62.100 -0.184 0.000 1.009 433 T CB 2.077 70.811 68.868 -0.224 0.000 1.203 433 T HN 1.774 nan 8.240 nan 0.000 0.518 434 F N -1.564 118.332 119.950 -0.089 0.000 2.650 434 F HA 0.768 5.300 4.527 0.009 0.000 0.320 434 F C -0.602 175.186 175.800 -0.019 0.000 1.091 434 F CA -1.530 56.446 58.000 -0.040 0.000 0.962 434 F CB 1.486 40.471 39.000 -0.025 0.000 1.363 434 F HN 0.494 nan 8.300 nan 0.000 0.482 435 K N 1.934 122.435 120.400 0.167 0.000 2.312 435 K HA 0.407 4.733 4.320 0.009 0.000 0.287 435 K C -0.931 175.788 176.600 0.197 0.000 1.062 435 K CA -0.601 55.730 56.287 0.072 0.000 0.934 435 K CB 1.752 34.301 32.500 0.083 0.000 1.027 435 K HN 0.660 nan 8.250 nan 0.000 0.478 436 V N 3.799 123.736 119.914 0.037 0.000 2.461 436 V HA 0.319 4.445 4.120 0.009 0.000 0.275 436 V C -0.052 176.193 176.094 0.251 0.000 1.047 436 V CA -0.354 62.063 62.300 0.195 0.000 0.955 436 V CB 0.901 32.725 31.823 0.002 0.000 0.988 436 V HN 0.893 nan 8.190 nan 0.000 0.471 437 A N 8.406 131.439 122.820 0.356 0.000 2.366 437 A HA 0.669 4.995 4.320 0.009 0.000 0.249 437 A C -2.324 175.360 177.584 0.166 0.000 1.084 437 A CA -1.303 50.800 52.037 0.110 0.000 0.794 437 A CB -0.242 18.635 19.000 -0.205 0.000 1.034 437 A HN 0.808 nan 8.150 nan 0.000 0.491 438 P HA 0.000 nan 4.420 nan 0.000 0.266 438 P C 0.962 178.373 177.300 0.185 0.000 1.193 438 P CA -0.264 62.914 63.100 0.129 0.000 0.770 438 P CB 0.357 32.109 31.700 0.087 0.000 0.836 439 L N 3.293 124.662 121.223 0.244 0.000 2.081 439 L HA -0.226 4.120 4.340 0.009 0.000 0.212 439 L C 1.830 178.808 176.870 0.180 0.000 1.080 439 L CA 2.162 57.159 54.840 0.262 0.000 0.754 439 L CB -1.201 40.944 42.059 0.144 0.000 0.893 439 L HN 0.428 nan 8.230 nan 0.000 0.433 440 H N -0.663 118.449 119.070 0.071 0.000 2.521 440 H HA -0.082 4.479 4.556 0.009 0.000 0.286 440 H C 1.697 177.034 175.328 0.015 0.000 1.034 440 H CA 1.323 57.389 56.048 0.031 0.000 1.278 440 H CB -0.160 29.602 29.762 0.001 0.000 1.386 440 H HN 0.449 nan 8.280 nan 0.000 0.567 441 D N -0.576 119.853 120.400 0.048 0.000 2.234 441 D HA -0.117 4.529 4.640 0.009 0.000 0.205 441 D C 1.314 177.577 176.300 -0.061 0.000 0.962 441 D CA 0.826 54.779 54.000 -0.078 0.000 0.855 441 D CB -0.105 40.564 40.800 -0.218 0.000 0.951 441 D HN 0.443 nan 8.370 nan 0.000 0.500 442 Y N 1.061 121.495 120.300 0.224 0.000 2.263 442 Y HA 0.026 4.581 4.550 0.009 0.000 0.292 442 Y C 2.438 178.586 175.900 0.413 0.000 1.130 442 Y CA 0.201 58.522 58.100 0.369 0.000 1.179 442 Y CB -0.490 38.094 38.460 0.206 0.000 0.998 442 Y HN -0.084 nan 8.280 nan 0.000 0.532 443 I N 0.234 120.999 120.570 0.324 0.000 2.226 443 I HA -0.322 3.854 4.170 0.009 0.000 0.245 443 I C 1.208 177.340 176.117 0.025 0.000 1.100 443 I CA 1.512 62.936 61.300 0.207 0.000 1.374 443 I CB -0.284 37.681 38.000 -0.058 0.000 1.057 443 I HN 0.272 nan 8.210 nan 0.000 0.413 444 N N 0.816 119.504 118.700 -0.021 0.000 2.270 444 N HA 0.220 4.965 4.740 0.009 0.000 0.198 444 N C 0.706 176.106 175.510 -0.183 0.000 1.117 444 N CA 0.794 53.751 53.050 -0.156 0.000 0.845 444 N CB 0.781 39.214 38.487 -0.089 0.000 0.980 444 N HN 0.270 nan 8.380 nan 0.000 0.486 445 A N -0.237 122.530 122.820 -0.089 0.000 2.869 445 A HA -0.174 4.152 4.320 0.009 0.000 0.280 445 A C 1.179 178.687 177.584 -0.126 0.000 1.458 445 A CA 0.830 52.741 52.037 -0.210 0.000 0.776 445 A CB -2.118 16.662 19.000 -0.366 0.000 1.028 445 A HN 0.111 nan 8.150 nan 0.000 0.547 446 V N -0.703 119.190 119.914 -0.036 0.000 2.581 446 V HA 0.332 4.458 4.120 0.009 0.000 0.240 446 V C 1.823 177.918 176.094 0.003 0.000 1.054 446 V CA 1.094 63.375 62.300 -0.031 0.000 1.076 446 V CB -0.725 31.073 31.823 -0.042 0.000 0.748 446 V HN 1.658 nan 8.190 nan 0.000 0.474 447 A N 1.855 124.658 122.820 -0.029 0.000 2.531 447 A HA 0.155 4.481 4.320 0.009 0.000 0.236 447 A C 0.578 178.239 177.584 0.128 0.000 1.062 447 A CA -0.142 51.839 52.037 -0.093 0.000 0.760 447 A CB -0.336 18.298 19.000 -0.609 0.000 0.995 447 A HN 0.709 nan 8.150 nan 0.000 0.501 448 E N 2.584 122.839 120.200 0.090 0.000 2.413 448 E HA 0.132 4.488 4.350 0.009 0.000 0.263 448 E C 0.251 176.936 176.600 0.141 0.000 1.015 448 E CA -0.634 55.845 56.400 0.130 0.000 0.916 448 E CB 0.542 30.283 29.700 0.069 0.000 0.947 448 E HN 0.599 nan 8.360 nan 0.000 0.440 449 R N 3.402 123.993 120.500 0.151 0.000 2.485 449 R HA -0.043 4.303 4.340 0.009 0.000 0.304 449 R C -1.590 174.609 176.300 -0.168 0.000 0.934 449 R CA -0.789 55.301 56.100 -0.016 0.000 1.102 449 R CB 0.278 30.612 30.300 0.056 0.000 0.906 449 R HN 0.514 nan 8.270 nan 0.000 0.407 450 P HA -0.046 nan 4.420 nan 0.000 0.216 450 P C -0.167 176.862 177.300 -0.451 0.000 1.153 450 P CA 0.770 63.452 63.100 -0.697 0.000 0.844 450 P CB 0.317 31.038 31.700 -1.632 0.000 0.787 451 S N -2.275 113.225 115.700 -0.334 0.000 2.556 451 S HA 0.362 4.838 4.470 0.009 0.000 0.271 451 S C -0.492 174.018 174.600 -0.151 0.000 1.135 451 S CA -0.564 57.524 58.200 -0.186 0.000 0.858 451 S CB 1.234 64.366 63.200 -0.113 0.000 1.114 451 S HN -0.257 nan 8.310 nan 0.000 0.468 452 D N 1.154 121.467 120.400 -0.145 0.000 2.389 452 D HA 0.179 4.825 4.640 0.009 0.000 0.206 452 D C 1.501 177.691 176.300 -0.184 0.000 1.055 452 D CA 1.069 54.991 54.000 -0.129 0.000 0.856 452 D CB 0.601 41.341 40.800 -0.100 0.000 0.957 452 D HN 0.360 nan 8.370 nan 0.000 0.509 453 V N -1.745 117.979 119.914 -0.317 0.000 3.013 453 V HA 0.296 4.422 4.120 0.009 0.000 0.238 453 V C 0.398 176.164 176.094 -0.546 0.000 1.161 453 V CA 0.088 62.064 62.300 -0.541 0.000 1.170 453 V CB -0.510 30.736 31.823 -0.962 0.000 0.917 453 V HN -0.178 nan 8.190 nan 0.000 0.478 454 Y N 0.873 121.142 120.300 -0.051 0.000 2.568 454 Y HA 0.724 5.279 4.550 0.009 0.000 0.327 454 Y C 0.685 176.553 175.900 -0.052 0.000 1.163 454 Y CA -1.023 57.042 58.100 -0.058 0.000 1.219 454 Y CB 1.180 39.564 38.460 -0.126 0.000 1.308 454 Y HN 0.039 nan 8.280 nan 0.000 0.503 455 S N 0.513 116.311 115.700 0.164 0.000 2.499 455 S HA 0.592 5.068 4.470 0.009 0.000 0.279 455 S C -0.933 173.743 174.600 0.127 0.000 1.219 455 S CA -0.373 57.882 58.200 0.090 0.000 1.062 455 S CB -0.276 62.964 63.200 0.066 0.000 0.978 455 S HN 0.656 nan 8.310 nan 0.000 0.489 456 C N 3.190 122.526 119.300 0.059 0.000 2.561 456 C HA 0.815 5.280 4.460 0.009 0.000 0.319 456 C C 0.278 175.353 174.990 0.142 0.000 1.198 456 C CA -0.740 58.333 59.018 0.092 0.000 1.665 456 C CB 1.461 29.129 27.740 -0.119 0.000 2.258 456 C HN 0.891 nan 8.230 nan 0.000 0.493 457 S N 1.849 117.687 115.700 0.231 0.000 2.501 457 S HA 0.530 5.005 4.470 0.009 0.000 0.301 457 S C -1.737 172.951 174.600 0.148 0.000 1.096 457 S CA -1.222 57.115 58.200 0.228 0.000 1.063 457 S CB 1.498 64.804 63.200 0.176 0.000 1.042 457 S HN 0.641 nan 8.310 nan 0.000 0.494 458 P HA -0.090 nan 4.420 nan 0.000 0.234 458 P C 0.658 177.890 177.300 -0.113 0.000 1.162 458 P CA 0.718 63.669 63.100 -0.250 0.000 0.759 458 P CB -0.312 31.224 31.700 -0.275 0.000 0.813 459 N N -0.187 118.471 118.700 -0.070 0.000 2.467 459 N HA -0.024 4.722 4.740 0.009 0.000 0.184 459 N C 1.345 176.676 175.510 -0.299 0.000 1.106 459 N CA 1.138 54.118 53.050 -0.116 0.000 0.892 459 N CB -0.829 37.617 38.487 -0.069 0.000 0.969 459 N HN 0.204 nan 8.380 nan 0.000 0.454 460 G N -0.524 107.937 108.800 -0.565 0.000 2.179 460 G HA2 -0.189 3.776 3.960 0.009 0.000 0.220 460 G HA3 -0.189 3.776 3.960 0.009 0.000 0.220 460 G C -0.129 174.241 174.900 -0.884 0.000 0.990 460 G CA 0.049 44.349 45.100 -1.334 0.000 0.646 460 G HN 0.206 nan 8.290 nan 0.000 0.517 461 M N 0.495 119.873 119.600 -0.370 0.000 2.342 461 M HA 0.703 5.188 4.480 0.009 0.000 0.332 461 M C 0.517 176.682 176.300 -0.224 0.000 1.166 461 M CA 0.094 55.198 55.300 -0.327 0.000 1.086 461 M CB 1.196 33.594 32.600 -0.336 0.000 1.541 461 M HN 0.176 nan 8.290 nan 0.000 0.462 462 M N 2.129 121.428 119.600 -0.501 0.000 2.393 462 M HA 0.475 4.961 4.480 0.009 0.000 0.299 462 M C -1.761 174.053 176.300 -0.810 0.000 1.103 462 M CA -0.528 54.532 55.300 -0.400 0.000 0.910 462 M CB 2.294 34.775 32.600 -0.198 0.000 1.659 462 M HN 0.480 nan 8.290 nan 0.000 0.445 463 Y N 0.097 120.280 120.300 -0.194 0.000 2.499 463 Y HA 0.470 5.026 4.550 0.010 0.000 0.347 463 Y C -0.720 175.096 175.900 -0.140 0.000 0.987 463 Y CA -0.883 57.077 58.100 -0.235 0.000 1.044 463 Y CB 1.365 39.750 38.460 -0.125 0.000 1.245 463 Y HN 0.448 nan 8.280 nan 0.000 0.461 464 Y N 2.117 122.508 120.300 0.152 0.000 2.712 464 Y HA -0.028 4.528 4.550 0.009 0.000 0.333 464 Y C 1.304 177.289 175.900 0.142 0.000 1.225 464 Y CA 0.248 58.456 58.100 0.182 0.000 1.499 464 Y CB 0.683 39.205 38.460 0.104 0.000 1.288 464 Y HN 0.604 nan 8.280 nan 0.000 0.575 465 K N 1.324 121.899 120.400 0.291 0.000 2.211 465 K HA -0.100 4.226 4.320 0.009 0.000 0.201 465 K C 1.314 177.978 176.600 0.108 0.000 1.052 465 K CA 1.109 57.484 56.287 0.147 0.000 0.973 465 K CB 0.089 32.648 32.500 0.097 0.000 0.766 465 K HN 0.772 nan 8.250 nan 0.000 0.466 466 D N 0.965 121.439 120.400 0.124 0.000 2.162 466 D HA -0.098 4.547 4.640 0.009 0.000 0.203 466 D C 0.932 177.249 176.300 0.028 0.000 0.967 466 D CA 0.552 54.586 54.000 0.057 0.000 0.840 466 D CB 0.055 40.879 40.800 0.039 0.000 0.972 466 D HN 0.030 nan 8.370 nan 0.000 0.482 467 R N 0.331 120.854 120.500 0.038 0.000 2.584 467 R HA 0.203 4.549 4.340 0.009 0.000 0.253 467 R C 0.800 177.105 176.300 0.009 0.000 1.251 467 R CA -0.401 55.700 56.100 0.001 0.000 1.129 467 R CB 0.605 30.890 30.300 -0.024 0.000 1.239 467 R HN -0.039 nan 8.270 nan 0.000 0.595 468 D N -0.996 119.398 120.400 -0.009 0.000 2.943 468 D HA 0.143 4.788 4.640 0.009 0.000 0.282 468 D C 0.011 176.293 176.300 -0.030 0.000 1.148 468 D CA 1.209 55.199 54.000 -0.018 0.000 1.006 468 D CB 0.152 40.941 40.800 -0.020 0.000 1.168 468 D HN 0.666 nan 8.370 nan 0.000 0.450 469 G N 1.352 110.131 108.800 -0.036 0.000 3.285 469 G HA2 -0.186 3.779 3.960 0.009 0.000 0.685 469 G HA3 -0.186 3.779 3.960 0.009 0.000 0.685 469 G C 1.125 175.982 174.900 -0.072 0.000 0.938 469 G CA 0.076 45.140 45.100 -0.060 0.000 0.778 469 G HN 0.212 nan 8.290 nan 0.000 0.515 470 V N 1.778 121.639 119.914 -0.089 0.000 2.324 470 V HA -0.233 3.892 4.120 0.009 0.000 0.250 470 V C 2.826 178.879 176.094 -0.068 0.000 1.060 470 V CA 2.359 64.617 62.300 -0.070 0.000 1.042 470 V CB -1.359 30.407 31.823 -0.094 0.000 0.650 470 V HN 0.973 nan 8.190 nan 0.000 0.450 471 V N 0.914 120.746 119.914 -0.136 0.000 2.220 471 V HA -0.158 3.968 4.120 0.009 0.000 0.246 471 V C 0.611 176.626 176.094 -0.132 0.000 1.049 471 V CA 2.962 65.164 62.300 -0.163 0.000 1.003 471 V CB -2.031 29.666 31.823 -0.211 0.000 0.634 471 V HN 0.481 nan 8.190 nan 0.000 0.444 472 P HA -0.169 nan 4.420 nan 0.000 0.215 472 P C 1.851 179.126 177.300 -0.040 0.000 1.163 472 P CA 2.280 65.313 63.100 -0.112 0.000 0.894 472 P CB -0.310 31.317 31.700 -0.121 0.000 0.791 473 T N -0.111 114.434 114.554 -0.016 0.000 2.622 473 T HA -0.174 4.181 4.350 0.009 0.000 0.266 473 T C 1.594 176.350 174.700 0.095 0.000 1.047 473 T CA 1.430 63.549 62.100 0.032 0.000 1.159 473 T CB -0.890 67.993 68.868 0.025 0.000 0.863 473 T HN 0.166 nan 8.240 nan 0.000 0.422 474 E N 0.638 120.914 120.200 0.128 0.000 2.153 474 E HA 0.023 4.379 4.350 0.009 0.000 0.194 474 E C 2.180 178.988 176.600 0.347 0.000 0.988 474 E CA 0.496 57.060 56.400 0.274 0.000 0.811 474 E CB -0.486 29.446 29.700 0.387 0.000 0.746 474 E HN 0.481 nan 8.360 nan 0.000 0.466 475 I N 0.946 121.624 120.570 0.180 0.000 2.315 475 I HA -0.239 3.936 4.170 0.009 0.000 0.248 475 I C 1.809 178.050 176.117 0.207 0.000 1.117 475 I CA 1.146 62.545 61.300 0.165 0.000 1.404 475 I CB -0.024 37.936 38.000 -0.067 0.000 1.071 475 I HN 0.068 nan 8.210 nan 0.000 0.419 476 T N 0.799 115.441 114.554 0.146 0.000 2.759 476 T HA -0.215 4.140 4.350 0.009 0.000 0.269 476 T C 1.868 176.722 174.700 0.256 0.000 1.042 476 T CA 1.267 63.479 62.100 0.187 0.000 1.140 476 T CB -0.149 68.785 68.868 0.111 0.000 0.864 476 T HN 0.336 nan 8.240 nan 0.000 0.455 477 K N 0.490 121.026 120.400 0.226 0.000 1.985 477 K HA -0.046 4.280 4.320 0.009 0.000 0.210 477 K C 2.370 179.077 176.600 0.179 0.000 1.047 477 K CA 1.158 57.575 56.287 0.216 0.000 0.932 477 K CB -0.548 32.117 32.500 0.275 0.000 0.716 477 K HN 0.163 nan 8.250 nan 0.000 0.439 478 V N 1.357 121.388 119.914 0.195 0.000 2.515 478 V HA -0.221 3.905 4.120 0.009 0.000 0.250 478 V C 1.992 178.151 176.094 0.108 0.000 1.058 478 V CA 1.448 63.788 62.300 0.068 0.000 1.064 478 V CB -0.576 31.276 31.823 0.048 0.000 0.675 478 V HN 0.236 nan 8.190 nan 0.000 0.461 479 F N 2.235 122.224 119.950 0.066 0.000 2.095 479 F HA -0.223 4.310 4.527 0.009 0.000 0.298 479 F C 2.253 178.061 175.800 0.014 0.000 1.104 479 F CA 2.036 60.058 58.000 0.037 0.000 1.232 479 F CB -0.458 38.561 39.000 0.031 0.000 0.987 479 F HN 0.197 nan 8.300 nan 0.000 0.475 480 N N 0.498 119.081 118.700 -0.196 0.000 2.166 480 N HA -0.180 4.566 4.740 0.009 0.000 0.186 480 N C 1.854 177.194 175.510 -0.284 0.000 1.019 480 N CA 1.504 54.373 53.050 -0.301 0.000 0.856 480 N CB -0.549 37.903 38.487 -0.059 0.000 0.993 480 N HN 0.537 nan 8.380 nan 0.000 0.426 481 Q N 0.323 120.029 119.800 -0.158 0.000 2.050 481 Q HA -0.080 4.265 4.340 0.009 0.000 0.202 481 Q C 2.154 178.087 176.000 -0.113 0.000 0.980 481 Q CA 0.989 56.727 55.803 -0.108 0.000 0.840 481 Q CB -0.055 28.668 28.738 -0.025 0.000 0.898 481 Q HN 0.198 nan 8.270 nan 0.000 0.424 482 R N 1.510 121.918 120.500 -0.153 0.000 2.112 482 R HA -0.221 4.125 4.340 0.009 0.000 0.242 482 R C 2.049 178.185 176.300 -0.273 0.000 1.137 482 R CA 1.964 57.969 56.100 -0.159 0.000 0.944 482 R CB -0.407 29.815 30.300 -0.130 0.000 0.857 482 R HN 0.168 nan 8.270 nan 0.000 0.435 483 K N 0.527 120.623 120.400 -0.506 0.000 2.152 483 K HA -0.191 4.134 4.320 0.009 0.000 0.206 483 K C 1.991 178.345 176.600 -0.410 0.000 1.048 483 K CA 1.774 57.778 56.287 -0.472 0.000 0.933 483 K CB -0.132 31.986 32.500 -0.637 0.000 0.721 483 K HN 0.321 nan 8.250 nan 0.000 0.447 484 E N -0.124 119.792 120.200 -0.473 0.000 2.017 484 E HA -0.215 4.141 4.350 0.009 0.000 0.193 484 E C 1.929 177.918 176.600 -1.020 0.000 0.997 484 E CA 1.165 57.136 56.400 -0.715 0.000 0.804 484 E CB -0.032 29.265 29.700 -0.671 0.000 0.757 484 E HN 0.483 nan 8.360 nan 0.000 0.448 485 H N 0.138 118.895 119.070 -0.522 0.000 2.423 485 H HA -0.036 4.526 4.556 0.009 0.000 0.297 485 H C 2.101 177.279 175.328 -0.250 0.000 1.075 485 H CA 1.005 56.855 56.048 -0.330 0.000 1.342 485 H CB 0.015 29.699 29.762 -0.131 0.000 1.395 485 H HN 0.152 nan 8.280 nan 0.000 0.530 486 K N 0.743 121.054 120.400 -0.148 0.000 2.057 486 K HA -0.104 4.222 4.320 0.009 0.000 0.207 486 K C 2.380 178.883 176.600 -0.161 0.000 1.049 486 K CA 1.095 57.307 56.287 -0.126 0.000 0.931 486 K CB -0.159 32.268 32.500 -0.121 0.000 0.714 486 K HN 0.264 nan 8.250 nan 0.000 0.440 487 G N 0.091 108.722 108.800 -0.281 0.000 2.418 487 G HA2 -0.243 3.723 3.960 0.009 0.000 0.217 487 G HA3 -0.243 3.723 3.960 0.009 0.000 0.217 487 G C 1.148 175.940 174.900 -0.180 0.000 1.158 487 G CA 0.769 45.713 45.100 -0.261 0.000 0.771 487 G HN 0.239 nan 8.290 nan 0.000 0.545 488 Y N -0.013 120.153 120.300 -0.223 0.000 2.181 488 Y HA 0.008 4.564 4.550 0.009 0.000 0.288 488 Y C 2.835 178.627 175.900 -0.180 0.000 1.146 488 Y CA 0.678 58.614 58.100 -0.273 0.000 1.164 488 Y CB -0.961 37.354 38.460 -0.241 0.000 0.982 488 Y HN 0.145 nan 8.280 nan 0.000 0.515 489 M N -0.454 119.163 119.600 0.029 0.000 2.065 489 M HA -0.242 4.243 4.480 0.009 0.000 0.259 489 M C 2.047 178.322 176.300 -0.042 0.000 1.071 489 M CA 1.920 57.214 55.300 -0.010 0.000 1.109 489 M CB -0.501 32.089 32.600 -0.016 0.000 1.313 489 M HN 0.295 nan 8.290 nan 0.000 0.408 490 L N 0.042 121.230 121.223 -0.058 0.000 2.042 490 L HA -0.189 4.157 4.340 0.009 0.000 0.210 490 L C 2.738 179.560 176.870 -0.081 0.000 1.076 490 L CA 1.396 56.196 54.840 -0.067 0.000 0.749 490 L CB -0.994 41.022 42.059 -0.073 0.000 0.893 490 L HN 0.415 nan 8.230 nan 0.000 0.432 491 A N -0.118 122.648 122.820 -0.089 0.000 1.933 491 A HA -0.157 4.169 4.320 0.009 0.000 0.218 491 A C 2.529 180.026 177.584 -0.144 0.000 1.175 491 A CA 1.681 53.650 52.037 -0.113 0.000 0.628 491 A CB -0.725 18.209 19.000 -0.110 0.000 0.814 491 A HN 0.404 nan 8.150 nan 0.000 0.444 492 A N -0.920 121.836 122.820 -0.107 0.000 1.933 492 A HA -0.214 4.112 4.320 0.009 0.000 0.218 492 A C 2.177 179.703 177.584 -0.096 0.000 1.175 492 A CA 1.774 53.757 52.037 -0.090 0.000 0.628 492 A CB -0.530 18.435 19.000 -0.058 0.000 0.814 492 A HN 0.661 nan 8.150 nan 0.000 0.444 493 Q N -0.586 119.167 119.800 -0.078 0.000 2.046 493 Q HA -0.172 4.173 4.340 0.009 0.000 0.200 493 Q C 2.373 178.333 176.000 -0.067 0.000 0.975 493 Q CA 1.418 57.189 55.803 -0.053 0.000 0.836 493 Q CB -0.108 28.610 28.738 -0.034 0.000 0.896 493 Q HN 0.655 nan 8.270 nan 0.000 0.428 494 R N 0.103 120.542 120.500 -0.102 0.000 2.083 494 R HA -0.137 4.209 4.340 0.009 0.000 0.237 494 R C 2.068 178.288 176.300 -0.133 0.000 1.137 494 R CA 1.524 57.557 56.100 -0.111 0.000 0.951 494 R CB -0.303 29.927 30.300 -0.117 0.000 0.851 494 R HN 0.348 nan 8.270 nan 0.000 0.434 495 N N 0.140 118.685 118.700 -0.257 0.000 2.043 495 N HA -0.130 4.615 4.740 0.009 0.000 0.193 495 N C 1.882 177.337 175.510 -0.091 0.000 1.037 495 N CA 1.639 54.423 53.050 -0.444 0.000 0.851 495 N CB -0.897 36.988 38.487 -1.003 0.000 1.027 495 N HN 0.337 nan 8.380 nan 0.000 0.422 496 G N 1.508 110.283 108.800 -0.041 0.000 2.507 496 G HA2 -0.256 3.710 3.960 0.009 0.000 0.221 496 G HA3 -0.256 3.710 3.960 0.009 0.000 0.221 496 G C 1.431 176.360 174.900 0.049 0.000 1.119 496 G CA 0.816 45.933 45.100 0.028 0.000 0.751 496 G HN 0.260 nan 8.290 nan 0.000 0.574 497 E N 0.257 120.478 120.200 0.035 0.000 2.152 497 E HA 0.022 4.378 4.350 0.009 0.000 0.192 497 E C 2.611 179.247 176.600 0.060 0.000 0.983 497 E CA 0.246 56.681 56.400 0.059 0.000 0.818 497 E CB -0.136 29.595 29.700 0.051 0.000 0.758 497 E HN 0.571 nan 8.360 nan 0.000 0.467 498 I N 0.440 121.054 120.570 0.073 0.000 2.353 498 I HA -0.194 3.982 4.170 0.009 0.000 0.248 498 I C 2.261 178.443 176.117 0.108 0.000 1.119 498 I CA 0.722 62.086 61.300 0.106 0.000 1.417 498 I CB -0.211 37.898 38.000 0.181 0.000 1.078 498 I HN 0.017 nan 8.210 nan 0.000 0.421 499 I N 0.867 121.524 120.570 0.146 0.000 2.252 499 I HA -0.264 3.912 4.170 0.009 0.000 0.245 499 I C 2.488 178.616 176.117 0.019 0.000 1.102 499 I CA 1.427 62.797 61.300 0.116 0.000 1.385 499 I CB -0.291 37.812 38.000 0.172 0.000 1.064 499 I HN 0.125 nan 8.210 nan 0.000 0.414 500 K N 0.447 120.853 120.400 0.009 0.000 2.032 500 K HA -0.193 4.133 4.320 0.009 0.000 0.209 500 K C 2.113 178.577 176.600 -0.227 0.000 1.048 500 K CA 1.272 57.530 56.287 -0.048 0.000 0.927 500 K CB -0.111 32.401 32.500 0.019 0.000 0.712 500 K HN 0.216 nan 8.250 nan 0.000 0.441 501 E N 0.411 120.511 120.200 -0.167 0.000 2.085 501 E HA -0.184 4.171 4.350 0.009 0.000 0.194 501 E C 2.013 178.372 176.600 -0.402 0.000 0.994 501 E CA 1.270 57.510 56.400 -0.266 0.000 0.801 501 E CB -0.156 29.539 29.700 -0.007 0.000 0.743 501 E HN 0.332 nan 8.360 nan 0.000 0.453 502 A N 0.861 123.568 122.820 -0.188 0.000 2.015 502 A HA -0.089 4.236 4.320 0.009 0.000 0.219 502 A C 2.142 179.643 177.584 -0.138 0.000 1.163 502 A CA 0.646 52.619 52.037 -0.108 0.000 0.646 502 A CB -0.521 18.462 19.000 -0.028 0.000 0.806 502 A HN 0.179 nan 8.150 nan 0.000 0.448 503 L N -0.442 120.649 121.223 -0.221 0.000 2.711 503 L HA -0.078 4.267 4.340 0.009 0.000 0.242 503 L C 1.498 178.340 176.870 -0.048 0.000 1.153 503 L CA 0.420 55.188 54.840 -0.120 0.000 0.898 503 L CB -0.550 41.464 42.059 -0.075 0.000 1.044 503 L HN 0.586 nan 8.230 nan 0.000 0.437 504 H N -1.951 117.142 119.070 0.038 0.000 2.582 504 H HA 0.041 4.601 4.556 0.007 0.000 0.269 504 H C 1.178 176.524 175.328 0.030 0.000 0.962 504 H CA 0.447 56.516 56.048 0.034 0.000 1.230 504 H CB 0.276 30.061 29.762 0.038 0.000 1.445 504 H HN 0.392 nan 8.280 nan 0.000 0.528 505 N N 1.334 120.097 118.700 0.105 0.000 2.635 505 N HA 0.123 4.868 4.740 0.009 0.000 0.307 505 N C -2.836 172.697 175.510 0.038 0.000 1.433 505 N CA -1.622 51.468 53.050 0.067 0.000 0.973 505 N CB 0.511 39.031 38.487 0.056 0.000 1.304 505 N HN -0.032 nan 8.380 nan 0.000 0.507 506 P HA 0.031 nan 4.420 nan 0.000 0.271 506 P C -0.787 176.526 177.300 0.022 0.000 1.226 506 P CA 0.167 63.282 63.100 0.024 0.000 0.765 506 P CB 0.672 32.388 31.700 0.026 0.000 0.835 507 N N 2.954 121.663 118.700 0.015 0.000 2.499 507 N HA 0.154 4.899 4.740 0.009 0.000 0.281 507 N C -0.169 175.347 175.510 0.010 0.000 1.098 507 N CA -0.718 52.340 53.050 0.012 0.000 0.979 507 N CB 0.727 39.219 38.487 0.008 0.000 1.121 507 N HN 0.286 nan 8.380 nan 0.000 0.466 508 L N 2.145 123.375 121.223 0.010 0.000 2.536 508 L HA 0.149 4.495 4.340 0.009 0.000 0.282 508 L C 0.627 177.501 176.870 0.006 0.000 1.147 508 L CA 0.748 55.593 54.840 0.008 0.000 0.936 508 L CB -1.184 40.880 42.059 0.009 0.000 1.279 508 L HN 0.509 nan 8.230 nan 0.000 0.461 509 S N 2.627 118.330 115.700 0.004 0.000 2.556 509 S HA 0.554 5.029 4.470 0.009 0.000 0.280 509 S C -1.134 173.467 174.600 0.002 0.000 1.141 509 S CA -0.543 57.659 58.200 0.002 0.000 0.883 509 S CB 1.605 64.806 63.200 0.002 0.000 1.103 509 S HN 0.088 nan 8.310 nan 0.000 0.453 510 V N 4.959 124.873 119.914 0.000 0.000 2.328 510 V HA 0.598 4.723 4.120 0.009 0.000 0.278 510 V C -0.743 175.350 176.094 -0.001 0.000 1.021 510 V CA -0.346 61.955 62.300 0.000 0.000 0.838 510 V CB 0.734 32.557 31.823 -0.000 0.000 0.999 510 V HN 0.931 nan 8.190 nan 0.000 0.447 511 D N 2.895 123.295 120.400 -0.000 0.000 2.752 511 D HA 0.543 5.189 4.640 0.009 0.000 0.313 511 D C -0.795 175.506 176.300 0.003 0.000 1.225 511 D CA -0.978 53.021 54.000 -0.001 0.000 0.976 511 D CB 1.209 42.007 40.800 -0.004 0.000 1.443 511 D HN 0.539 nan 8.370 nan 0.000 0.515 512 E N -0.952 119.250 120.200 0.003 0.000 2.207 512 E HA 0.570 4.926 4.350 0.009 0.000 0.270 512 E C -2.534 174.073 176.600 0.012 0.000 0.927 512 E CA -2.109 54.297 56.400 0.010 0.000 0.799 512 E CB 1.575 31.281 29.700 0.011 0.000 1.172 512 E HN 0.159 nan 8.360 nan 0.000 0.404 513 P HA -0.028 nan 4.420 nan 0.000 0.267 513 P C -0.499 176.817 177.300 0.025 0.000 1.200 513 P CA -0.356 62.769 63.100 0.042 0.000 0.772 513 P CB 0.411 32.163 31.700 0.086 0.000 0.855 514 L N 2.642 123.861 121.223 -0.007 0.000 2.456 514 L HA 0.064 4.410 4.340 0.009 0.000 0.272 514 L C 1.021 177.867 176.870 -0.040 0.000 1.189 514 L CA 0.620 55.425 54.840 -0.059 0.000 0.846 514 L CB -0.754 41.211 42.059 -0.156 0.000 1.111 514 L HN 0.358 nan 8.230 nan 0.000 0.475 515 D N 2.851 123.225 120.400 -0.044 0.000 2.435 515 D HA 0.360 5.005 4.640 0.009 0.000 0.230 515 D C -0.694 175.554 176.300 -0.086 0.000 1.215 515 D CA -0.012 53.971 54.000 -0.029 0.000 0.947 515 D CB 0.194 40.987 40.800 -0.013 0.000 1.048 515 D HN 0.260 nan 8.370 nan 0.000 0.512 516 V N 0.749 120.575 119.914 -0.146 0.000 3.078 516 V HA 0.547 4.672 4.120 0.009 0.000 0.311 516 V C -0.506 175.458 176.094 -0.216 0.000 1.138 516 V CA -1.131 61.035 62.300 -0.223 0.000 1.007 516 V CB 2.122 33.725 31.823 -0.367 0.000 1.045 516 V HN 0.231 nan 8.190 nan 0.000 0.432 517 D N 1.060 121.419 120.400 -0.069 0.000 2.359 517 D HA 0.346 4.992 4.640 0.009 0.000 0.230 517 D C 0.092 176.446 176.300 0.089 0.000 1.118 517 D CA -0.158 53.884 54.000 0.071 0.000 0.844 517 D CB 1.187 42.097 40.800 0.184 0.000 1.059 517 D HN 0.623 nan 8.370 nan 0.000 0.493 518 Y N 2.451 122.829 120.300 0.130 0.000 2.616 518 Y HA 0.043 4.598 4.550 0.009 0.000 0.296 518 Y C 2.213 178.047 175.900 -0.111 0.000 1.154 518 Y CA 0.318 58.440 58.100 0.036 0.000 1.325 518 Y CB 0.096 38.562 38.460 0.010 0.000 1.007 518 Y HN 0.294 nan 8.280 nan 0.000 0.542 519 R N -0.581 119.883 120.500 -0.059 0.000 2.237 519 R HA -0.021 4.325 4.340 0.009 0.000 0.219 519 R C -0.637 175.294 176.300 -0.615 0.000 1.080 519 R CA 0.630 56.477 56.100 -0.422 0.000 0.995 519 R CB -0.135 29.633 30.300 -0.887 0.000 0.875 519 R HN 0.144 nan 8.270 nan 0.000 0.462 520 F N 0.496 120.432 119.950 -0.023 0.000 2.532 520 F HA 0.220 4.752 4.527 0.009 0.000 0.321 520 F C 0.272 176.036 175.800 -0.060 0.000 1.089 520 F CA -1.506 56.488 58.000 -0.011 0.000 0.926 520 F CB 1.027 40.028 39.000 0.001 0.000 1.168 520 F HN -0.223 nan 8.300 nan 0.000 0.459 521 D N 2.317 122.787 120.400 0.116 0.000 2.533 521 D HA -0.051 4.594 4.640 0.009 0.000 0.236 521 D C -0.043 176.330 176.300 0.121 0.000 1.137 521 D CA 0.600 54.608 54.000 0.015 0.000 0.867 521 D CB 0.439 41.260 40.800 0.036 0.000 1.170 521 D HN 0.075 nan 8.370 nan 0.000 0.474 522 F N 1.362 121.334 119.950 0.037 0.000 2.607 522 F HA -0.068 4.465 4.527 0.009 0.000 0.374 522 F C 1.675 177.478 175.800 0.004 0.000 1.104 522 F CA -0.746 57.257 58.000 0.004 0.000 1.296 522 F CB -0.092 38.906 39.000 -0.005 0.000 1.085 522 F HN 0.084 nan 8.300 nan 0.000 0.584 523 S N 1.179 116.993 115.700 0.189 0.000 2.632 523 S HA 0.172 4.647 4.470 0.009 0.000 0.267 523 S C 0.725 175.359 174.600 0.057 0.000 1.276 523 S CA -0.656 57.594 58.200 0.084 0.000 0.998 523 S CB 0.955 64.174 63.200 0.032 0.000 0.953 523 S HN 0.522 nan 8.310 nan 0.000 0.547 524 D N 1.164 121.585 120.400 0.035 0.000 2.123 524 D HA -0.147 4.499 4.640 0.009 0.000 0.196 524 D C 2.153 178.452 176.300 -0.003 0.000 0.992 524 D CA 1.799 55.812 54.000 0.021 0.000 0.833 524 D CB -0.107 40.702 40.800 0.015 0.000 0.954 524 D HN 0.811 nan 8.370 nan 0.000 0.455 525 E N 1.024 121.213 120.200 -0.017 0.000 2.051 525 E HA -0.176 4.180 4.350 0.009 0.000 0.192 525 E C 2.347 178.906 176.600 -0.068 0.000 0.991 525 E CA 0.746 57.124 56.400 -0.037 0.000 0.799 525 E CB -0.684 28.994 29.700 -0.037 0.000 0.748 525 E HN 0.365 nan 8.360 nan 0.000 0.449 526 I N 1.484 121.996 120.570 -0.097 0.000 2.163 526 I HA -0.288 3.888 4.170 0.009 0.000 0.243 526 I C 2.639 178.639 176.117 -0.195 0.000 1.085 526 I CA 1.636 62.816 61.300 -0.200 0.000 1.347 526 I CB -0.277 37.539 38.000 -0.307 0.000 1.044 526 I HN 0.040 nan 8.210 nan 0.000 0.408 527 K N 0.401 120.745 120.400 -0.094 0.000 2.032 527 K HA -0.249 4.076 4.320 0.009 0.000 0.209 527 K C 2.122 178.703 176.600 -0.032 0.000 1.048 527 K CA 1.658 57.928 56.287 -0.028 0.000 0.927 527 K CB -0.204 32.324 32.500 0.046 0.000 0.712 527 K HN 0.308 nan 8.250 nan 0.000 0.441 528 E N 1.027 121.209 120.200 -0.031 0.000 2.077 528 E HA -0.182 4.174 4.350 0.009 0.000 0.193 528 E C 1.655 178.233 176.600 -0.038 0.000 0.989 528 E CA 1.202 57.587 56.400 -0.024 0.000 0.800 528 E CB 0.200 29.888 29.700 -0.021 0.000 0.746 528 E HN 0.170 nan 8.360 nan 0.000 0.452 529 K N 0.040 120.403 120.400 -0.062 0.000 2.283 529 K HA -0.089 4.236 4.320 0.009 0.000 0.202 529 K C 2.024 178.580 176.600 -0.072 0.000 1.048 529 K CA 0.627 56.872 56.287 -0.070 0.000 0.948 529 K CB 0.049 32.494 32.500 -0.092 0.000 0.742 529 K HN 0.238 nan 8.250 nan 0.000 0.458 530 I N 0.741 121.261 120.570 -0.083 0.000 2.277 530 I HA -0.235 3.941 4.170 0.009 0.000 0.243 530 I C 1.852 177.952 176.117 -0.028 0.000 1.094 530 I CA 1.116 62.374 61.300 -0.069 0.000 1.393 530 I CB 0.034 37.982 38.000 -0.087 0.000 1.078 530 I HN -0.022 nan 8.210 nan 0.000 0.417 531 K N 0.857 121.247 120.400 -0.016 0.000 2.103 531 K HA -0.206 4.120 4.320 0.009 0.000 0.207 531 K C 1.857 178.456 176.600 -0.002 0.000 1.048 531 K CA 1.299 57.585 56.287 -0.002 0.000 0.930 531 K CB -0.081 32.422 32.500 0.006 0.000 0.716 531 K HN -0.043 nan 8.250 nan 0.000 0.444 532 K N 0.224 120.619 120.400 -0.009 0.000 2.486 532 K HA 0.101 4.427 4.320 0.009 0.000 0.194 532 K C 0.101 176.697 176.600 -0.007 0.000 1.033 532 K CA 0.297 56.580 56.287 -0.006 0.000 1.004 532 K CB 0.013 32.507 32.500 -0.010 0.000 0.798 532 K HN 0.043 nan 8.250 nan 0.000 0.495 533 L N 0.816 122.033 121.223 -0.010 0.000 2.466 533 L HA 0.116 4.462 4.340 0.009 0.000 0.257 533 L C 0.634 177.504 176.870 0.001 0.000 1.189 533 L CA -0.513 54.322 54.840 -0.007 0.000 0.813 533 L CB 0.921 42.973 42.059 -0.011 0.000 1.118 533 L HN 0.102 nan 8.230 nan 0.000 0.471 534 S N 0.303 116.005 115.700 0.003 0.000 2.632 534 S HA 0.338 4.813 4.470 0.009 0.000 0.267 534 S C 0.935 175.541 174.600 0.010 0.000 1.276 534 S CA -0.251 57.953 58.200 0.007 0.000 0.998 534 S CB 1.564 64.767 63.200 0.006 0.000 0.953 534 S HN 0.693 nan 8.310 nan 0.000 0.547 535 A N 1.668 124.495 122.820 0.012 0.000 1.892 535 A HA -0.190 4.136 4.320 0.009 0.000 0.218 535 A C 2.129 179.720 177.584 0.012 0.000 1.188 535 A CA 2.073 54.118 52.037 0.013 0.000 0.631 535 A CB -1.076 17.933 19.000 0.015 0.000 0.822 535 A HN 0.982 nan 8.150 nan 0.000 0.447 536 K N -0.534 119.870 120.400 0.008 0.000 2.074 536 K HA -0.154 4.172 4.320 0.009 0.000 0.209 536 K C 2.108 178.715 176.600 0.011 0.000 1.048 536 K CA 1.889 58.178 56.287 0.004 0.000 0.926 536 K CB -0.256 32.244 32.500 -0.000 0.000 0.713 536 K HN 0.393 nan 8.250 nan 0.000 0.444 537 S N 0.727 116.437 115.700 0.016 0.000 2.414 537 S HA 0.055 4.530 4.470 0.009 0.000 0.227 537 S C 1.777 176.402 174.600 0.042 0.000 1.022 537 S CA 0.574 58.789 58.200 0.026 0.000 0.958 537 S CB -0.041 63.169 63.200 0.017 0.000 0.797 537 S HN 0.252 nan 8.310 nan 0.000 0.493 538 L N 1.272 122.517 121.223 0.036 0.000 2.056 538 L HA -0.090 4.256 4.340 0.009 0.000 0.207 538 L C 1.967 178.877 176.870 0.066 0.000 1.078 538 L CA 1.119 55.989 54.840 0.050 0.000 0.749 538 L CB -0.601 41.476 42.059 0.030 0.000 0.901 538 L HN 0.305 nan 8.230 nan 0.000 0.433 539 N N -0.264 118.465 118.700 0.048 0.000 2.142 539 N HA -0.192 4.554 4.740 0.009 0.000 0.186 539 N C 1.708 177.266 175.510 0.080 0.000 1.023 539 N CA 0.971 54.052 53.050 0.053 0.000 0.852 539 N CB 0.034 38.535 38.487 0.023 0.000 0.998 539 N HN 0.278 nan 8.380 nan 0.000 0.424 540 E N 0.359 120.599 120.200 0.067 0.000 2.085 540 E HA -0.180 4.175 4.350 0.009 0.000 0.194 540 E C 1.844 178.537 176.600 0.155 0.000 0.994 540 E CA 1.189 57.646 56.400 0.095 0.000 0.801 540 E CB 0.012 29.751 29.700 0.065 0.000 0.743 540 E HN 0.376 nan 8.360 nan 0.000 0.453 541 M N -0.149 119.543 119.600 0.153 0.000 2.132 541 M HA -0.149 4.336 4.480 0.009 0.000 0.263 541 M C 2.237 178.593 176.300 0.094 0.000 1.065 541 M CA 0.780 56.209 55.300 0.215 0.000 1.122 541 M CB -0.159 32.615 32.600 0.290 0.000 1.365 541 M HN 0.166 nan 8.290 nan 0.000 0.411 542 L N 0.267 121.553 121.223 0.104 0.000 1.970 542 L HA -0.202 4.143 4.340 0.009 0.000 0.212 542 L C 2.226 179.091 176.870 -0.009 0.000 1.071 542 L CA 1.949 56.822 54.840 0.054 0.000 0.751 542 L CB -1.129 40.973 42.059 0.071 0.000 0.889 542 L HN 0.226 nan 8.230 nan 0.000 0.432 543 F N 0.509 120.405 119.950 -0.089 0.000 2.087 543 F HA -0.319 4.213 4.527 0.009 0.000 0.299 543 F C 2.606 178.298 175.800 -0.181 0.000 1.100 543 F CA 2.174 60.109 58.000 -0.109 0.000 1.226 543 F CB -0.303 38.651 39.000 -0.076 0.000 0.983 543 F HN 0.070 nan 8.300 nan 0.000 0.479 544 R N 0.021 120.386 120.500 -0.225 0.000 2.073 544 R HA -0.102 4.244 4.340 0.009 0.000 0.234 544 R C 2.548 178.369 176.300 -0.799 0.000 1.134 544 R CA 1.266 57.066 56.100 -0.501 0.000 0.952 544 R CB -0.930 29.120 30.300 -0.417 0.000 0.850 544 R HN 0.413 nan 8.270 nan 0.000 0.433 545 A N 1.112 123.387 122.820 -0.908 0.000 1.859 545 A HA -0.299 4.026 4.320 0.009 0.000 0.217 545 A C 2.097 179.470 177.584 -0.352 0.000 1.198 545 A CA 1.706 53.367 52.037 -0.628 0.000 0.629 545 A CB -0.691 18.173 19.000 -0.225 0.000 0.830 545 A HN 0.343 nan 8.150 nan 0.000 0.446 546 Q N -1.203 118.416 119.800 -0.302 0.000 2.112 546 Q HA -0.203 4.142 4.340 0.009 0.000 0.206 546 Q C 2.389 178.202 176.000 -0.311 0.000 0.987 546 Q CA 1.686 57.335 55.803 -0.256 0.000 0.858 546 Q CB -0.162 28.436 28.738 -0.233 0.000 0.905 546 Q HN 0.409 nan 8.270 nan 0.000 0.420 547 R N -0.298 119.921 120.500 -0.468 0.000 2.096 547 R HA -0.078 4.267 4.340 0.009 0.000 0.235 547 R C 2.201 178.343 176.300 -0.262 0.000 1.127 547 R CA 1.517 57.360 56.100 -0.428 0.000 0.968 547 R CB -1.031 28.922 30.300 -0.578 0.000 0.861 547 R HN 0.335 nan 8.270 nan 0.000 0.440 548 T N 0.784 115.190 114.554 -0.248 0.000 2.746 548 T HA -0.148 4.207 4.350 0.009 0.000 0.267 548 T C 1.728 176.366 174.700 -0.103 0.000 1.039 548 T CA 1.444 63.461 62.100 -0.138 0.000 1.142 548 T CB -0.068 68.749 68.868 -0.086 0.000 0.866 548 T HN 0.424 nan 8.240 nan 0.000 0.444 549 E N 0.619 120.747 120.200 -0.119 0.000 2.031 549 E HA -0.137 4.218 4.350 0.009 0.000 0.193 549 E C 2.275 178.835 176.600 -0.067 0.000 0.994 549 E CA 1.153 57.505 56.400 -0.080 0.000 0.800 549 E CB -0.163 29.489 29.700 -0.081 0.000 0.752 549 E HN 0.225 nan 8.360 nan 0.000 0.447 550 V N 1.637 121.495 119.914 -0.093 0.000 2.250 550 V HA -0.364 3.762 4.120 0.009 0.000 0.250 550 V C 2.550 178.607 176.094 -0.062 0.000 1.060 550 V CA 2.139 64.396 62.300 -0.072 0.000 1.030 550 V CB -1.072 30.690 31.823 -0.102 0.000 0.643 550 V HN 0.503 nan 8.190 nan 0.000 0.445 551 A N 0.372 123.141 122.820 -0.084 0.000 1.892 551 A HA -0.192 4.134 4.320 0.009 0.000 0.218 551 A C 2.419 179.977 177.584 -0.043 0.000 1.188 551 A CA 2.346 54.340 52.037 -0.072 0.000 0.631 551 A CB -1.351 17.607 19.000 -0.071 0.000 0.822 551 A HN 0.585 nan 8.150 nan 0.000 0.447 552 G N -1.222 107.571 108.800 -0.011 0.000 2.422 552 G HA2 -0.123 3.842 3.960 0.009 0.000 0.218 552 G HA3 -0.123 3.842 3.960 0.009 0.000 0.218 552 G C 1.482 176.382 174.900 0.001 0.000 1.140 552 G CA 1.448 46.571 45.100 0.038 0.000 0.775 552 G HN 0.470 nan 8.290 nan 0.000 0.545 553 M N 1.274 120.867 119.600 -0.011 0.000 2.065 553 M HA -0.037 4.449 4.480 0.009 0.000 0.259 553 M C 2.501 178.805 176.300 0.006 0.000 1.069 553 M CA 2.214 57.510 55.300 -0.006 0.000 1.110 553 M CB -1.112 31.493 32.600 0.008 0.000 1.328 553 M HN 0.096 nan 8.290 nan 0.000 0.405 554 T N 0.800 115.369 114.554 0.025 0.000 2.665 554 T HA -0.149 4.207 4.350 0.009 0.000 0.268 554 T C 1.762 176.432 174.700 -0.051 0.000 1.035 554 T CA 1.959 64.100 62.100 0.068 0.000 1.151 554 T CB -0.784 68.124 68.868 0.067 0.000 0.862 554 T HN 0.593 nan 8.240 nan 0.000 0.438 555 A N 0.861 123.590 122.820 -0.152 0.000 1.969 555 A HA -0.086 4.239 4.320 0.009 0.000 0.218 555 A C 2.296 179.739 177.584 -0.234 0.000 1.169 555 A CA 1.430 53.263 52.037 -0.340 0.000 0.635 555 A CB -0.434 18.114 19.000 -0.754 0.000 0.810 555 A HN 0.431 nan 8.150 nan 0.000 0.445 556 Q N -0.288 119.447 119.800 -0.108 0.000 2.107 556 Q HA 0.041 4.387 4.340 0.009 0.000 0.195 556 Q C 1.981 177.948 176.000 -0.055 0.000 0.964 556 Q CA 1.281 57.051 55.803 -0.054 0.000 0.833 556 Q CB -0.275 28.443 28.738 -0.033 0.000 0.910 556 Q HN 0.601 nan 8.270 nan 0.000 0.465 557 I N 1.455 121.988 120.570 -0.061 0.000 2.493 557 I HA -0.212 3.963 4.170 0.009 0.000 0.254 557 I C 1.490 177.598 176.117 -0.015 0.000 1.160 557 I CA 0.812 62.042 61.300 -0.116 0.000 1.445 557 I CB 0.022 37.876 38.000 -0.243 0.000 1.086 557 I HN 0.207 nan 8.210 nan 0.000 0.433 558 N N 0.424 119.158 118.700 0.056 0.000 2.395 558 N HA -0.037 4.709 4.740 0.009 0.000 0.175 558 N C 1.785 177.320 175.510 0.043 0.000 1.029 558 N CA 0.565 53.689 53.050 0.124 0.000 0.897 558 N CB 0.034 38.528 38.487 0.012 0.000 0.991 558 N HN 0.378 nan 8.380 nan 0.000 0.441 559 R N 1.396 121.883 120.500 -0.023 0.000 2.062 559 R HA -0.023 4.323 4.340 0.009 0.000 0.229 559 R C 2.193 178.531 176.300 0.064 0.000 1.128 559 R CA 0.946 57.038 56.100 -0.015 0.000 0.960 559 R CB -0.105 30.164 30.300 -0.052 0.000 0.855 559 R HN 0.156 nan 8.270 nan 0.000 0.432 560 K N 0.984 121.416 120.400 0.053 0.000 2.034 560 K HA -0.232 4.094 4.320 0.009 0.000 0.214 560 K C 2.055 178.719 176.600 0.107 0.000 1.051 560 K CA 1.875 58.207 56.287 0.075 0.000 0.931 560 K CB -0.244 32.264 32.500 0.013 0.000 0.715 560 K HN 0.169 nan 8.250 nan 0.000 0.446 561 A N 1.365 124.261 122.820 0.126 0.000 1.892 561 A HA -0.214 4.111 4.320 0.009 0.000 0.218 561 A C 2.138 179.841 177.584 0.199 0.000 1.188 561 A CA 1.850 54.006 52.037 0.199 0.000 0.631 561 A CB -0.820 18.379 19.000 0.333 0.000 0.822 561 A HN 0.448 nan 8.150 nan 0.000 0.447 562 L N 0.523 121.863 121.223 0.197 0.000 2.046 562 L HA -0.153 4.192 4.340 0.009 0.000 0.208 562 L C 2.403 179.560 176.870 0.478 0.000 1.077 562 L CA 2.290 57.291 54.840 0.269 0.000 0.747 562 L CB -0.517 41.603 42.059 0.102 0.000 0.896 562 L HN 0.619 nan 8.230 nan 0.000 0.432 563 I N -3.430 117.357 120.570 0.362 0.000 2.353 563 I HA -0.204 3.972 4.170 0.009 0.000 0.248 563 I C 1.978 178.185 176.117 0.149 0.000 1.119 563 I CA 1.843 63.335 61.300 0.321 0.000 1.417 563 I CB -0.923 37.235 38.000 0.263 0.000 1.078 563 I HN 0.276 nan 8.210 nan 0.000 0.421 564 N N 1.493 120.277 118.700 0.139 0.000 2.289 564 N HA -0.086 4.659 4.740 0.009 0.000 0.184 564 N C 1.972 177.540 175.510 0.095 0.000 1.016 564 N CA 0.989 54.098 53.050 0.098 0.000 0.872 564 N CB -0.212 38.317 38.487 0.070 0.000 0.973 564 N HN 0.589 nan 8.380 nan 0.000 0.433 565 G N 1.006 109.887 108.800 0.135 0.000 2.421 565 G HA2 -0.168 3.798 3.960 0.009 0.000 0.217 565 G HA3 -0.168 3.798 3.960 0.009 0.000 0.217 565 G C 1.401 176.279 174.900 -0.037 0.000 1.143 565 G CA 0.100 45.268 45.100 0.114 0.000 0.784 565 G HN 0.127 nan 8.290 nan 0.000 0.541 566 L N 1.679 122.785 121.223 -0.195 0.000 2.042 566 L HA 0.075 4.420 4.340 0.009 0.000 0.210 566 L C 2.985 179.642 176.870 -0.355 0.000 1.076 566 L CA 2.152 56.602 54.840 -0.651 0.000 0.749 566 L CB -0.916 40.421 42.059 -1.204 0.000 0.893 566 L HN 0.236 nan 8.230 nan 0.000 0.432 567 A N -0.783 121.936 122.820 -0.168 0.000 1.902 567 A HA -0.059 4.267 4.320 0.009 0.000 0.217 567 A C 2.317 179.906 177.584 0.007 0.000 1.181 567 A CA 1.575 53.576 52.037 -0.060 0.000 0.623 567 A CB -1.445 17.600 19.000 0.075 0.000 0.818 567 A HN 0.528 nan 8.150 nan 0.000 0.443 568 G N -0.899 107.929 108.800 0.048 0.000 2.430 568 G HA2 0.134 4.100 3.960 0.009 0.000 0.216 568 G HA3 0.134 4.100 3.960 0.009 0.000 0.216 568 G C 1.672 176.604 174.900 0.054 0.000 1.146 568 G CA 1.110 46.279 45.100 0.114 0.000 0.793 568 G HN 0.760 nan 8.290 nan 0.000 0.537 569 A N 0.947 123.694 122.820 -0.122 0.000 1.978 569 A HA 0.011 4.336 4.320 0.009 0.000 0.220 569 A C 2.314 179.865 177.584 -0.054 0.000 1.170 569 A CA 1.168 53.020 52.037 -0.309 0.000 0.636 569 A CB -0.413 17.993 19.000 -0.990 0.000 0.810 569 A HN 0.366 nan 8.150 nan 0.000 0.448 570 L N -1.031 120.212 121.223 0.032 0.000 2.349 570 L HA -0.124 4.222 4.340 0.009 0.000 0.220 570 L C 2.113 179.024 176.870 0.068 0.000 1.130 570 L CA 0.852 55.802 54.840 0.185 0.000 0.791 570 L CB -0.264 41.810 42.059 0.025 0.000 0.918 570 L HN 0.504 nan 8.230 nan 0.000 0.444 571 G N -1.468 107.408 108.800 0.128 0.000 3.575 571 G HA2 -0.006 3.960 3.960 0.009 0.000 0.273 571 G HA3 -0.006 3.960 3.960 0.009 0.000 0.273 571 G C 0.052 175.210 174.900 0.430 0.000 1.053 571 G CA -0.288 44.926 45.100 0.190 0.000 0.803 571 G HN 0.123 nan 8.290 nan 0.000 0.528 572 N N 1.298 120.234 118.700 0.393 0.000 2.446 572 N HA 0.107 4.853 4.740 0.009 0.000 0.265 572 N C 1.595 177.150 175.510 0.076 0.000 0.975 572 N CA -0.379 52.820 53.050 0.249 0.000 0.928 572 N CB 2.261 40.889 38.487 0.234 0.000 1.160 572 N HN -0.026 nan 8.380 nan 0.000 0.495 573 V N 1.930 121.594 119.914 -0.417 0.000 3.140 573 V HA -0.079 4.047 4.120 0.009 0.000 0.269 573 V C 1.054 176.834 176.094 -0.523 0.000 1.149 573 V CA 0.989 62.707 62.300 -0.970 0.000 1.162 573 V CB -0.965 30.299 31.823 -0.933 0.000 0.756 573 V HN 0.644 nan 8.190 nan 0.000 0.523 574 W N -1.629 119.667 121.300 -0.006 0.000 2.996 574 W HA 0.415 5.081 4.660 0.009 0.000 0.270 574 W C 1.011 177.632 176.519 0.169 0.000 1.280 574 W CA -0.800 56.585 57.345 0.067 0.000 1.549 574 W CB -0.006 29.487 29.460 0.055 0.000 1.079 574 W HN 0.156 nan 8.180 nan 0.000 0.629 575 F N 2.661 122.750 119.950 0.232 0.000 2.578 575 F HA 0.040 4.573 4.527 0.010 0.000 0.376 575 F C 1.920 177.784 175.800 0.106 0.000 1.085 575 F CA -0.607 57.510 58.000 0.196 0.000 1.260 575 F CB 0.657 39.793 39.000 0.227 0.000 1.095 575 F HN -0.151 nan 8.300 nan 0.000 0.573 576 R N 3.598 123.876 120.500 -0.371 0.000 2.139 576 R HA -0.203 4.143 4.340 0.009 0.000 0.243 576 R C 0.471 176.255 176.300 -0.860 0.000 1.145 576 R CA 1.884 57.581 56.100 -0.671 0.000 0.976 576 R CB -0.256 29.468 30.300 -0.960 0.000 0.866 576 R HN 0.740 nan 8.270 nan 0.000 0.449 577 Y N -1.288 118.574 120.300 -0.729 0.000 2.658 577 Y HA 0.121 4.677 4.550 0.009 0.000 0.276 577 Y C -0.434 175.413 175.900 -0.087 0.000 1.167 577 Y CA -1.009 56.843 58.100 -0.413 0.000 1.230 577 Y CB -0.302 37.851 38.460 -0.511 0.000 1.144 577 Y HN 0.019 nan 8.280 nan 0.000 0.529 578 Y N 2.745 123.040 120.300 -0.008 0.000 2.969 578 Y HA -0.001 4.554 4.550 0.009 0.000 0.339 578 Y C 0.022 175.859 175.900 -0.105 0.000 1.272 578 Y CA 0.700 58.791 58.100 -0.014 0.000 1.577 578 Y CB 0.385 38.708 38.460 -0.228 0.000 1.234 578 Y HN 0.254 nan 8.280 nan 0.000 0.590 579 D N 6.253 126.186 120.400 -0.778 0.000 2.192 579 D HA 0.012 4.658 4.640 0.009 0.000 0.200 579 D C -0.407 175.528 176.300 -0.608 0.000 1.281 579 D CA -0.473 53.145 54.000 -0.637 0.000 0.895 579 D CB 0.500 41.160 40.800 -0.233 0.000 1.643 579 D HN 0.524 nan 8.370 nan 0.000 0.510 580 L N 3.254 124.034 121.223 -0.739 0.000 2.191 580 L HA 0.042 4.388 4.340 0.009 0.000 0.212 580 L C 2.404 179.051 176.870 -0.372 0.000 1.103 580 L CA 1.459 55.946 54.840 -0.590 0.000 0.769 580 L CB -0.472 41.309 42.059 -0.464 0.000 0.908 580 L HN 0.421 nan 8.230 nan 0.000 0.438 581 R N -0.762 119.573 120.500 -0.275 0.000 2.091 581 R HA -0.176 4.169 4.340 0.009 0.000 0.238 581 R C 1.915 178.142 176.300 -0.122 0.000 1.136 581 R CA 1.505 57.499 56.100 -0.177 0.000 0.959 581 R CB -0.343 29.866 30.300 -0.151 0.000 0.856 581 R HN 0.442 nan 8.270 nan 0.000 0.437 582 N N 0.360 118.985 118.700 -0.126 0.000 2.207 582 N HA -0.043 4.703 4.740 0.009 0.000 0.182 582 N C 1.661 177.075 175.510 -0.159 0.000 1.020 582 N CA 1.291 54.294 53.050 -0.078 0.000 0.858 582 N CB -0.309 38.136 38.487 -0.069 0.000 0.991 582 N HN 0.183 nan 8.380 nan 0.000 0.427 583 A N 0.398 123.069 122.820 -0.247 0.000 1.877 583 A HA -0.119 4.207 4.320 0.009 0.000 0.216 583 A C 2.337 179.807 177.584 -0.191 0.000 1.186 583 A CA 1.997 53.871 52.037 -0.270 0.000 0.620 583 A CB -1.099 17.573 19.000 -0.545 0.000 0.822 583 A HN 0.277 nan 8.150 nan 0.000 0.443 584 T N -0.006 114.423 114.554 -0.208 0.000 2.867 584 T HA 0.070 4.426 4.350 0.009 0.000 0.268 584 T C 2.140 176.810 174.700 -0.051 0.000 1.057 584 T CA 1.241 63.301 62.100 -0.067 0.000 1.136 584 T CB -0.335 68.490 68.868 -0.072 0.000 0.874 584 T HN 0.586 nan 8.240 nan 0.000 0.466 585 A N 0.995 123.774 122.820 -0.068 0.000 1.933 585 A HA -0.010 4.315 4.320 0.009 0.000 0.218 585 A C 2.167 179.704 177.584 -0.078 0.000 1.175 585 A CA 1.103 53.125 52.037 -0.026 0.000 0.628 585 A CB -0.635 18.395 19.000 0.050 0.000 0.814 585 A HN 0.517 nan 8.150 nan 0.000 0.444 586 I N -0.006 120.458 120.570 -0.178 0.000 2.110 586 I HA -0.243 3.933 4.170 0.009 0.000 0.236 586 I C 3.001 178.917 176.117 -0.335 0.000 1.068 586 I CA 1.937 63.049 61.300 -0.314 0.000 1.333 586 I CB -0.844 36.900 38.000 -0.426 0.000 1.054 586 I HN 0.521 nan 8.210 nan 0.000 0.402 587 T N -1.647 112.724 114.554 -0.306 0.000 2.665 587 T HA -0.211 4.144 4.350 0.009 0.000 0.268 587 T C 1.819 176.516 174.700 -0.005 0.000 1.035 587 T CA 2.221 64.213 62.100 -0.179 0.000 1.151 587 T CB -1.163 67.728 68.868 0.039 0.000 0.862 587 T HN 0.297 nan 8.240 nan 0.000 0.438 588 T N 1.104 115.673 114.554 0.025 0.000 2.746 588 T HA 0.038 4.394 4.350 0.009 0.000 0.267 588 T C 1.399 176.131 174.700 0.052 0.000 1.039 588 T CA 1.216 63.346 62.100 0.050 0.000 1.142 588 T CB -0.691 68.200 68.868 0.038 0.000 0.866 588 T HN 0.417 nan 8.240 nan 0.000 0.444 589 F N 2.165 122.062 119.950 -0.089 0.000 2.171 589 F HA 0.018 4.551 4.527 0.009 0.000 0.300 589 F C 2.378 178.144 175.800 -0.057 0.000 1.090 589 F CA 1.182 59.125 58.000 -0.096 0.000 1.293 589 F CB -0.766 38.153 39.000 -0.135 0.000 1.013 589 F HN 0.177 nan 8.300 nan 0.000 0.486 590 G N -0.379 108.515 108.800 0.157 0.000 2.459 590 G HA2 -0.283 3.682 3.960 0.009 0.000 0.217 590 G HA3 -0.283 3.682 3.960 0.009 0.000 0.217 590 G C 1.506 176.467 174.900 0.102 0.000 1.183 590 G CA 0.855 46.053 45.100 0.163 0.000 0.776 590 G HN 0.414 nan 8.290 nan 0.000 0.552 591 Q N -0.623 119.232 119.800 0.092 0.000 2.112 591 Q HA -0.173 4.173 4.340 0.009 0.000 0.206 591 Q C 2.490 178.451 176.000 -0.066 0.000 0.987 591 Q CA 1.574 57.412 55.803 0.057 0.000 0.858 591 Q CB -0.294 28.484 28.738 0.066 0.000 0.905 591 Q HN 0.591 nan 8.270 nan 0.000 0.420 592 M N 0.100 119.638 119.600 -0.104 0.000 2.086 592 M HA -0.170 4.316 4.480 0.009 0.000 0.261 592 M C 2.167 178.425 176.300 -0.069 0.000 1.067 592 M CA 1.695 56.920 55.300 -0.125 0.000 1.116 592 M CB -0.178 32.298 32.600 -0.208 0.000 1.348 592 M HN 0.207 nan 8.290 nan 0.000 0.407 593 A N 1.099 123.825 122.820 -0.157 0.000 1.892 593 A HA -0.214 4.112 4.320 0.009 0.000 0.218 593 A C 2.160 179.891 177.584 0.245 0.000 1.188 593 A CA 1.781 53.832 52.037 0.022 0.000 0.631 593 A CB -1.292 17.677 19.000 -0.052 0.000 0.822 593 A HN 0.658 nan 8.150 nan 0.000 0.447 594 L N -0.373 120.944 121.223 0.157 0.000 1.994 594 L HA -0.235 4.111 4.340 0.009 0.000 0.208 594 L C 2.508 179.441 176.870 0.105 0.000 1.071 594 L CA 2.599 57.541 54.840 0.170 0.000 0.745 594 L CB -1.084 41.080 42.059 0.174 0.000 0.892 594 L HN 0.558 nan 8.230 nan 0.000 0.431 595 Q N -1.233 118.559 119.800 -0.013 0.000 2.172 595 Q HA -0.235 4.111 4.340 0.009 0.000 0.200 595 Q C 1.944 177.936 176.000 -0.013 0.000 0.964 595 Q CA 1.505 57.243 55.803 -0.108 0.000 0.855 595 Q CB -0.263 28.255 28.738 -0.367 0.000 0.918 595 Q HN 0.669 nan 8.270 nan 0.000 0.444 596 W N 1.158 122.385 121.300 -0.123 0.000 2.333 596 W HA -0.213 4.452 4.660 0.009 0.000 0.316 596 W C 1.684 178.105 176.519 -0.163 0.000 1.215 596 W CA 1.090 58.365 57.345 -0.118 0.000 1.278 596 W CB -0.309 29.103 29.460 -0.080 0.000 1.154 596 W HN 0.149 nan 8.180 nan 0.000 0.486 597 I N 1.503 122.149 120.570 0.128 0.000 2.546 597 I HA -0.211 3.965 4.170 0.009 0.000 0.255 597 I C 2.557 178.606 176.117 -0.113 0.000 1.163 597 I CA 1.726 62.958 61.300 -0.112 0.000 1.457 597 I CB -0.749 37.120 38.000 -0.220 0.000 1.092 597 I HN 0.080 nan 8.210 nan 0.000 0.434 598 E N 0.373 120.548 120.200 -0.043 0.000 2.085 598 E HA -0.302 4.054 4.350 0.009 0.000 0.194 598 E C 2.434 178.989 176.600 -0.074 0.000 0.994 598 E CA 1.169 57.550 56.400 -0.031 0.000 0.801 598 E CB -0.094 29.610 29.700 0.006 0.000 0.743 598 E HN 0.415 nan 8.360 nan 0.000 0.453 599 R N 0.290 120.702 120.500 -0.146 0.000 2.070 599 R HA -0.130 4.216 4.340 0.009 0.000 0.233 599 R C 2.362 178.532 176.300 -0.216 0.000 1.137 599 R CA 1.530 57.511 56.100 -0.198 0.000 0.945 599 R CB 0.024 30.135 30.300 -0.315 0.000 0.845 599 R HN -0.029 nan 8.270 nan 0.000 0.430 600 K N 0.153 120.368 120.400 -0.310 0.000 2.032 600 K HA -0.111 4.215 4.320 0.009 0.000 0.209 600 K C 2.069 178.582 176.600 -0.146 0.000 1.048 600 K CA 1.198 57.325 56.287 -0.266 0.000 0.927 600 K CB -0.548 31.757 32.500 -0.324 0.000 0.712 600 K HN 0.134 nan 8.250 nan 0.000 0.441 601 V N 2.468 122.297 119.914 -0.142 0.000 2.515 601 V HA -0.190 3.936 4.120 0.009 0.000 0.250 601 V C 1.927 178.020 176.094 -0.001 0.000 1.058 601 V CA 1.388 63.630 62.300 -0.096 0.000 1.064 601 V CB -0.452 31.279 31.823 -0.153 0.000 0.675 601 V HN 0.302 nan 8.190 nan 0.000 0.461 602 N N -0.047 118.675 118.700 0.036 0.000 2.188 602 N HA -0.131 4.615 4.740 0.009 0.000 0.184 602 N C 1.821 177.398 175.510 0.111 0.000 1.018 602 N CA 1.208 54.349 53.050 0.151 0.000 0.858 602 N CB -0.078 38.482 38.487 0.122 0.000 0.989 602 N HN 0.594 nan 8.380 nan 0.000 0.426 603 E N -0.102 120.110 120.200 0.020 0.000 2.015 603 E HA -0.191 4.164 4.350 0.009 0.000 0.191 603 E C 1.754 178.365 176.600 0.018 0.000 0.991 603 E CA 0.810 57.211 56.400 0.001 0.000 0.802 603 E CB -0.293 29.371 29.700 -0.059 0.000 0.759 603 E HN 0.393 nan 8.360 nan 0.000 0.447 604 Y N 1.701 121.937 120.300 -0.107 0.000 2.040 604 Y HA -0.312 4.243 4.550 0.009 0.000 0.275 604 Y C 2.086 177.918 175.900 -0.113 0.000 1.171 604 Y CA 1.757 59.787 58.100 -0.117 0.000 1.123 604 Y CB -0.230 38.135 38.460 -0.158 0.000 0.963 604 Y HN -0.037 nan 8.280 nan 0.000 0.493 605 L N 0.281 121.335 121.223 -0.281 0.000 2.083 605 L HA -0.248 4.098 4.340 0.009 0.000 0.209 605 L C 2.292 178.985 176.870 -0.294 0.000 1.083 605 L CA 1.215 55.734 54.840 -0.534 0.000 0.752 605 L CB -0.709 40.722 42.059 -1.047 0.000 0.899 605 L HN 0.364 nan 8.230 nan 0.000 0.433 606 N N -0.067 118.638 118.700 0.009 0.000 2.166 606 N HA -0.227 4.519 4.740 0.009 0.000 0.186 606 N C 1.796 177.312 175.510 0.010 0.000 1.019 606 N CA 1.288 54.432 53.050 0.158 0.000 0.856 606 N CB 0.009 38.603 38.487 0.178 0.000 0.993 606 N HN 0.462 nan 8.380 nan 0.000 0.426 607 E N 0.759 120.913 120.200 -0.077 0.000 2.028 607 E HA -0.080 4.276 4.350 0.009 0.000 0.191 607 E C 1.764 178.276 176.600 -0.147 0.000 0.988 607 E CA 0.657 56.997 56.400 -0.101 0.000 0.799 607 E CB 0.128 29.764 29.700 -0.108 0.000 0.755 607 E HN -0.038 nan 8.360 nan 0.000 0.447 608 V N 0.240 119.977 119.914 -0.295 0.000 2.867 608 V HA -0.212 3.913 4.120 0.009 0.000 0.260 608 V C 1.515 177.534 176.094 -0.126 0.000 1.099 608 V CA 1.136 63.266 62.300 -0.283 0.000 1.122 608 V CB -0.112 31.369 31.823 -0.570 0.000 0.708 608 V HN 0.492 nan 8.190 nan 0.000 0.490 609 C N -0.183 119.068 119.300 -0.081 0.000 3.000 609 C HA 0.519 4.985 4.460 0.009 0.000 0.286 609 C C 2.049 177.051 174.990 0.020 0.000 1.343 609 C CA -0.186 58.833 59.018 0.002 0.000 1.742 609 C CB -0.579 27.213 27.740 0.087 0.000 2.200 609 C HN 0.728 nan 8.230 nan 0.000 0.621 610 G N 1.486 110.283 108.800 -0.004 0.000 2.343 610 G HA2 -0.344 3.622 3.960 0.009 0.000 0.264 610 G HA3 -0.344 3.622 3.960 0.009 0.000 0.264 610 G C 0.577 175.487 174.900 0.017 0.000 0.989 610 G CA 1.293 46.394 45.100 0.001 0.000 0.627 610 G HN 0.577 nan 8.290 nan 0.000 0.549 611 T N 0.818 115.400 114.554 0.046 0.000 2.734 611 T HA 0.431 4.787 4.350 0.009 0.000 0.314 611 T C -0.062 174.663 174.700 0.041 0.000 1.057 611 T CA 0.465 62.596 62.100 0.050 0.000 1.047 611 T CB 0.461 69.378 68.868 0.082 0.000 0.991 611 T HN 0.236 nan 8.240 nan 0.000 0.540 612 E N 1.288 121.499 120.200 0.018 0.000 2.155 612 E HA 0.374 4.730 4.350 0.009 0.000 0.264 612 E C 0.731 177.328 176.600 -0.004 0.000 0.886 612 E CA -0.207 56.197 56.400 0.007 0.000 0.752 612 E CB 1.223 30.921 29.700 -0.004 0.000 1.133 612 E HN 1.073 nan 8.360 nan 0.000 0.414 613 G N 3.579 112.381 108.800 0.004 0.000 2.341 613 G HA2 -0.324 3.642 3.960 0.009 0.000 0.292 613 G HA3 -0.324 3.642 3.960 0.009 0.000 0.292 613 G C 0.286 175.162 174.900 -0.041 0.000 1.021 613 G CA 1.206 46.300 45.100 -0.010 0.000 0.905 613 G HN 0.455 nan 8.290 nan 0.000 0.508 614 E N -0.036 120.119 120.200 -0.076 0.000 2.319 614 E HA 0.697 5.053 4.350 0.009 0.000 0.268 614 E C 0.592 177.043 176.600 -0.249 0.000 1.050 614 E CA 0.091 56.359 56.400 -0.220 0.000 0.878 614 E CB 0.835 30.293 29.700 -0.404 0.000 1.066 614 E HN 0.834 nan 8.360 nan 0.000 0.406 615 A N 3.684 126.350 122.820 -0.257 0.000 2.320 615 A HA 0.429 4.754 4.320 0.009 0.000 0.287 615 A C -0.519 176.887 177.584 -0.297 0.000 1.181 615 A CA -0.290 51.649 52.037 -0.163 0.000 0.831 615 A CB -0.078 18.878 19.000 -0.072 0.000 1.102 615 A HN 0.735 nan 8.150 nan 0.000 0.513 616 F N 1.874 121.840 119.950 0.027 0.000 2.557 616 F HA 0.124 4.656 4.527 0.009 0.000 0.278 616 F C 0.953 176.768 175.800 0.025 0.000 1.051 616 F CA 0.188 58.213 58.000 0.042 0.000 1.357 616 F CB 0.136 39.168 39.000 0.053 0.000 1.104 616 F HN 0.267 nan 8.300 nan 0.000 0.654 617 V N 5.148 125.185 119.914 0.206 0.000 2.425 617 V HA -0.029 4.097 4.120 0.009 0.000 0.276 617 V C 1.156 177.256 176.094 0.011 0.000 1.017 617 V CA -0.015 62.346 62.300 0.103 0.000 1.062 617 V CB 0.385 32.261 31.823 0.088 0.000 0.997 617 V HN 0.218 nan 8.190 nan 0.000 0.476 618 L N 3.919 125.078 121.223 -0.106 0.000 2.513 618 L HA 0.433 4.779 4.340 0.009 0.000 0.222 618 L C 0.182 176.877 176.870 -0.291 0.000 1.096 618 L CA 0.842 55.508 54.840 -0.290 0.000 0.857 618 L CB -0.959 40.688 42.059 -0.686 0.000 1.026 618 L HN 0.572 nan 8.230 nan 0.000 0.469 619 Y N -0.248 119.838 120.300 -0.357 0.000 2.689 619 Y HA 0.643 5.199 4.550 0.009 0.000 0.333 619 Y C -1.035 174.886 175.900 0.034 0.000 1.208 619 Y CA -0.323 57.605 58.100 -0.286 0.000 1.055 619 Y CB 1.853 39.904 38.460 -0.680 0.000 1.304 619 Y HN 0.077 nan 8.280 nan 0.000 0.455 620 G N 2.408 110.806 108.800 -0.671 0.000 2.633 620 G HA2 0.403 4.369 3.960 0.009 0.000 0.299 620 G HA3 0.403 4.369 3.960 0.009 0.000 0.299 620 G C -2.808 171.726 174.900 -0.610 0.000 1.501 620 G CA -0.653 44.242 45.100 -0.342 0.000 0.887 620 G HN 0.468 nan 8.290 nan 0.000 0.561 621 D N 0.714 120.964 120.400 -0.251 0.000 2.575 621 D HA 0.568 5.213 4.640 0.009 0.000 0.250 621 D C 1.167 177.493 176.300 0.044 0.000 1.279 621 D CA 0.772 54.702 54.000 -0.117 0.000 0.925 621 D CB 1.398 42.198 40.800 0.001 0.000 1.261 621 D HN 0.592 nan 8.370 nan 0.000 0.567 622 T N 2.444 117.052 114.554 0.089 0.000 12.940 622 T HA -0.280 4.076 4.350 0.009 0.000 0.419 622 T C 0.531 175.322 174.700 0.151 0.000 1.444 622 T CA 1.858 64.037 62.100 0.133 0.000 2.373 622 T CB -1.116 67.790 68.868 0.064 0.000 2.821 622 T HN 0.658 nan 8.240 nan 0.000 0.696 623 D N 1.044 121.516 120.400 0.118 0.000 2.740 623 D HA 0.350 4.996 4.640 0.009 0.000 0.305 623 D C -0.240 176.136 176.300 0.127 0.000 1.583 623 D CA 0.508 54.582 54.000 0.122 0.000 0.790 623 D CB -0.128 40.720 40.800 0.080 0.000 1.187 623 D HN 0.754 nan 8.370 nan 0.000 0.447 624 S N 0.156 115.934 115.700 0.130 0.000 2.541 624 S HA 0.762 5.238 4.470 0.009 0.000 0.280 624 S C -0.272 174.396 174.600 0.113 0.000 1.112 624 S CA -0.941 57.328 58.200 0.115 0.000 0.925 624 S CB 1.808 65.099 63.200 0.150 0.000 1.067 624 S HN 0.367 nan 8.310 nan 0.000 0.479 625 I N -0.532 120.083 120.570 0.075 0.000 2.569 625 I HA 0.697 4.872 4.170 0.009 0.000 0.296 625 I C -1.854 174.256 176.117 -0.011 0.000 1.028 625 I CA -1.260 60.100 61.300 0.101 0.000 1.082 625 I CB 1.432 39.497 38.000 0.109 0.000 1.264 625 I HN 0.642 nan 8.210 nan 0.000 0.429 626 Y N 4.446 124.813 120.300 0.112 0.000 2.334 626 Y HA 0.578 5.134 4.550 0.009 0.000 0.336 626 Y C -0.211 175.727 175.900 0.064 0.000 0.960 626 Y CA -0.790 57.373 58.100 0.105 0.000 1.164 626 Y CB 1.972 40.450 38.460 0.030 0.000 1.155 626 Y HN 0.333 nan 8.280 nan 0.000 0.478 627 V N 2.846 122.916 119.914 0.259 0.000 2.394 627 V HA 0.222 4.348 4.120 0.009 0.000 0.282 627 V C 0.210 176.461 176.094 0.262 0.000 1.031 627 V CA -0.801 61.652 62.300 0.255 0.000 0.881 627 V CB 1.726 33.725 31.823 0.294 0.000 0.982 627 V HN 0.776 nan 8.190 nan 0.000 0.451 628 S N 3.865 119.717 115.700 0.253 0.000 2.429 628 S HA 0.311 4.787 4.470 0.009 0.000 0.292 628 S C 1.073 175.884 174.600 0.352 0.000 1.183 628 S CA 0.043 58.413 58.200 0.284 0.000 1.088 628 S CB 0.475 63.827 63.200 0.254 0.000 1.018 628 S HN 0.971 nan 8.310 nan 0.000 0.511 629 A N 4.349 127.357 122.820 0.312 0.000 2.275 629 A HA 0.157 4.482 4.320 0.009 0.000 0.212 629 A C 1.543 179.228 177.584 0.167 0.000 1.201 629 A CA 0.054 52.239 52.037 0.246 0.000 0.843 629 A CB -0.138 19.014 19.000 0.252 0.000 0.873 629 A HN 0.753 nan 8.150 nan 0.000 0.492 630 D N 0.925 121.455 120.400 0.218 0.000 2.123 630 D HA -0.156 4.490 4.640 0.009 0.000 0.196 630 D C 1.741 178.079 176.300 0.062 0.000 0.992 630 D CA 1.378 55.462 54.000 0.140 0.000 0.833 630 D CB -0.077 40.839 40.800 0.194 0.000 0.954 630 D HN 0.469 nan 8.370 nan 0.000 0.455 631 K N -0.063 120.422 120.400 0.142 0.000 2.148 631 K HA -0.015 4.311 4.320 0.009 0.000 0.204 631 K C 2.266 178.896 176.600 0.052 0.000 1.050 631 K CA 0.407 56.769 56.287 0.124 0.000 0.942 631 K CB 0.040 32.690 32.500 0.251 0.000 0.724 631 K HN 0.159 nan 8.250 nan 0.000 0.446 632 I N 1.114 121.693 120.570 0.016 0.000 2.179 632 I HA -0.285 3.891 4.170 0.009 0.000 0.242 632 I C 2.162 178.287 176.117 0.013 0.000 1.088 632 I CA 0.977 62.227 61.300 -0.082 0.000 1.357 632 I CB -0.199 37.641 38.000 -0.267 0.000 1.051 632 I HN 0.096 nan 8.210 nan 0.000 0.409 633 I N 0.706 121.249 120.570 -0.045 0.000 2.179 633 I HA -0.296 3.880 4.170 0.009 0.000 0.242 633 I C 1.998 178.043 176.117 -0.119 0.000 1.088 633 I CA 1.885 63.096 61.300 -0.148 0.000 1.357 633 I CB -1.211 36.413 38.000 -0.626 0.000 1.051 633 I HN 0.252 nan 8.210 nan 0.000 0.409 634 D N 0.652 120.991 120.400 -0.101 0.000 2.218 634 D HA -0.176 4.470 4.640 0.009 0.000 0.204 634 D C 2.025 178.296 176.300 -0.048 0.000 0.976 634 D CA 0.825 54.787 54.000 -0.063 0.000 0.853 634 D CB -0.104 40.680 40.800 -0.027 0.000 0.939 634 D HN 0.002 nan 8.370 nan 0.000 0.481 635 K N -0.367 120.012 120.400 -0.036 0.000 2.442 635 K HA -0.013 4.313 4.320 0.009 0.000 0.198 635 K C 1.209 177.771 176.600 -0.065 0.000 1.042 635 K CA 0.462 56.730 56.287 -0.031 0.000 0.958 635 K CB 0.213 32.707 32.500 -0.010 0.000 0.766 635 K HN 0.071 nan 8.250 nan 0.000 0.474 636 V N -2.119 117.731 119.914 -0.108 0.000 3.219 636 V HA 0.340 4.466 4.120 0.009 0.000 0.240 636 V C 0.514 176.478 176.094 -0.215 0.000 1.222 636 V CA 0.221 62.395 62.300 -0.210 0.000 1.181 636 V CB 0.272 31.872 31.823 -0.372 0.000 0.941 636 V HN 0.293 nan 8.190 nan 0.000 0.471 637 G N 1.094 109.817 108.800 -0.130 0.000 3.039 637 G HA2 -0.144 3.822 3.960 0.009 0.000 0.686 637 G HA3 -0.144 3.822 3.960 0.009 0.000 0.686 637 G C -0.009 174.867 174.900 -0.039 0.000 1.066 637 G CA 0.026 45.068 45.100 -0.097 0.000 0.774 637 G HN 0.319 nan 8.290 nan 0.000 0.591 638 E N 0.096 120.312 120.200 0.026 0.000 2.333 638 E HA -0.047 4.309 4.350 0.009 0.000 0.198 638 E C 1.294 177.949 176.600 0.092 0.000 1.007 638 E CA 1.071 57.545 56.400 0.122 0.000 0.845 638 E CB -0.018 29.717 29.700 0.058 0.000 0.766 638 E HN 0.476 nan 8.360 nan 0.000 0.507 639 S N 1.842 117.532 115.700 -0.018 0.000 2.423 639 S HA 0.271 4.746 4.470 0.009 0.000 0.302 639 S C -0.149 174.346 174.600 -0.176 0.000 1.143 639 S CA -0.186 57.978 58.200 -0.061 0.000 1.080 639 S CB 0.301 63.465 63.200 -0.059 0.000 1.081 639 S HN 0.213 nan 8.310 nan 0.000 0.522 640 K N 1.798 122.084 120.400 -0.189 0.000 10.020 640 K HA -0.032 4.293 4.320 0.009 0.000 1.126 640 K C -0.475 175.931 176.600 -0.324 0.000 0.881 640 K CA -0.099 55.950 56.287 -0.396 0.000 0.784 640 K CB -1.279 30.780 32.500 -0.735 0.000 1.493 640 K HN 0.380 nan 8.250 nan 0.000 0.633 641 F N -1.013 118.641 119.950 -0.493 0.000 2.549 641 F HA -0.401 4.131 4.527 0.008 0.000 0.616 641 F C 1.611 177.323 175.800 -0.146 0.000 0.500 641 F CA 2.022 59.611 58.000 -0.685 0.000 0.948 641 F CB -1.143 37.692 39.000 -0.274 0.000 1.754 641 F HN 0.677 nan 8.300 nan 0.000 0.260 642 R N -0.293 120.264 120.500 0.095 0.000 1.396 642 R HA -0.287 4.059 4.340 0.009 0.000 0.053 642 R C -0.164 176.214 176.300 0.130 0.000 0.951 642 R CA 2.153 58.319 56.100 0.110 0.000 1.960 642 R CB -2.007 28.364 30.300 0.119 0.000 0.309 642 R HN 0.609 nan 8.270 nan 0.000 0.719 643 D N -1.223 119.270 120.400 0.156 0.000 2.477 643 D HA 0.372 5.018 4.640 0.009 0.000 0.234 643 D C 0.389 176.700 176.300 0.018 0.000 1.048 643 D CA -0.269 53.781 54.000 0.084 0.000 0.959 643 D CB 0.800 41.624 40.800 0.040 0.000 1.408 643 D HN -0.020 nan 8.370 nan 0.000 0.496 644 T N -0.074 114.402 114.554 -0.130 0.000 2.624 644 T HA -0.239 4.117 4.350 0.009 0.000 0.268 644 T C 1.453 175.585 174.700 -0.947 0.000 1.041 644 T CA 2.074 63.864 62.100 -0.518 0.000 1.159 644 T CB -0.539 67.855 68.868 -0.791 0.000 0.863 644 T HN 0.549 nan 8.240 nan 0.000 0.434 645 N N 0.365 118.735 118.700 -0.549 0.000 2.272 645 N HA -0.156 4.590 4.740 0.009 0.000 0.185 645 N C 1.684 177.019 175.510 -0.293 0.000 1.014 645 N CA 0.951 53.737 53.050 -0.440 0.000 0.870 645 N CB -0.304 38.065 38.487 -0.197 0.000 0.975 645 N HN 0.452 nan 8.380 nan 0.000 0.433 646 H N 0.322 119.253 119.070 -0.233 0.000 2.270 646 H HA -0.142 4.419 4.556 0.009 0.000 0.299 646 H C 1.844 177.155 175.328 -0.028 0.000 1.077 646 H CA 2.029 58.079 56.048 0.004 0.000 1.294 646 H CB -0.762 29.142 29.762 0.237 0.000 1.371 646 H HN 0.551 nan 8.280 nan 0.000 0.491 647 W N 0.942 122.139 121.300 -0.171 0.000 2.425 647 W HA -0.046 4.621 4.660 0.011 0.000 0.277 647 W C 1.664 178.136 176.519 -0.078 0.000 1.231 647 W CA 0.930 57.939 57.345 -0.560 0.000 1.248 647 W CB -1.095 27.561 29.460 -1.340 0.000 1.117 647 W HN -0.053 nan 8.180 nan 0.000 0.568 648 V N 2.050 121.594 119.914 -0.617 0.000 2.295 648 V HA -0.325 3.801 4.120 0.009 0.000 0.246 648 V C 2.116 178.178 176.094 -0.053 0.000 1.049 648 V CA 2.644 64.689 62.300 -0.425 0.000 1.024 648 V CB -1.150 30.261 31.823 -0.688 0.000 0.648 648 V HN -0.010 nan 8.190 nan 0.000 0.447 649 D N -0.949 119.422 120.400 -0.048 0.000 2.218 649 D HA -0.158 4.488 4.640 0.009 0.000 0.204 649 D C 1.747 178.149 176.300 0.171 0.000 0.976 649 D CA 0.876 54.897 54.000 0.036 0.000 0.853 649 D CB -0.118 40.677 40.800 -0.010 0.000 0.939 649 D HN 0.420 nan 8.370 nan 0.000 0.481 650 F N 0.854 120.889 119.950 0.142 0.000 2.022 650 F HA -0.097 4.436 4.527 0.009 0.000 0.293 650 F C 2.005 177.946 175.800 0.235 0.000 1.142 650 F CA 1.318 59.462 58.000 0.240 0.000 1.177 650 F CB -0.737 38.490 39.000 0.378 0.000 0.982 650 F HN -0.109 nan 8.300 nan 0.000 0.473 651 L N 0.391 121.622 121.223 0.015 0.000 2.021 651 L HA -0.300 4.045 4.340 0.009 0.000 0.215 651 L C 2.347 179.254 176.870 0.061 0.000 1.074 651 L CA 1.927 56.747 54.840 -0.033 0.000 0.760 651 L CB -1.055 41.151 42.059 0.245 0.000 0.889 651 L HN 0.311 nan 8.230 nan 0.000 0.433 652 D N 0.428 120.872 120.400 0.073 0.000 2.137 652 D HA -0.286 4.359 4.640 0.009 0.000 0.189 652 D C 2.154 178.476 176.300 0.038 0.000 0.998 652 D CA 1.829 55.856 54.000 0.045 0.000 0.839 652 D CB -0.058 40.756 40.800 0.023 0.000 0.962 652 D HN 0.066 nan 8.370 nan 0.000 0.446 653 K N -1.302 119.119 120.400 0.035 0.000 2.113 653 K HA -0.182 4.144 4.320 0.009 0.000 0.208 653 K C 2.301 178.918 176.600 0.028 0.000 1.047 653 K CA 1.136 57.444 56.287 0.035 0.000 0.928 653 K CB -0.463 32.077 32.500 0.067 0.000 0.716 653 K HN 0.258 nan 8.250 nan 0.000 0.446 654 F N 0.705 120.554 119.950 -0.168 0.000 2.234 654 F HA -0.142 4.390 4.527 0.009 0.000 0.299 654 F C 1.954 177.745 175.800 -0.015 0.000 1.087 654 F CA 1.195 59.101 58.000 -0.157 0.000 1.340 654 F CB -0.069 38.715 39.000 -0.359 0.000 1.031 654 F HN 0.034 nan 8.300 nan 0.000 0.500 655 A N 0.433 123.301 122.820 0.079 0.000 1.855 655 A HA -0.173 4.152 4.320 0.009 0.000 0.215 655 A C 2.285 179.892 177.584 0.039 0.000 1.191 655 A CA 1.627 53.749 52.037 0.143 0.000 0.613 655 A CB -0.760 18.361 19.000 0.202 0.000 0.829 655 A HN 0.416 nan 8.150 nan 0.000 0.442 656 R N -0.815 119.691 120.500 0.010 0.000 2.148 656 R HA -0.038 4.307 4.340 0.009 0.000 0.223 656 R C 1.804 178.074 176.300 -0.049 0.000 1.088 656 R CA 1.491 57.588 56.100 -0.005 0.000 0.985 656 R CB -0.055 30.244 30.300 -0.002 0.000 0.880 656 R HN 0.666 nan 8.270 nan 0.000 0.451 657 E N -1.291 118.856 120.200 -0.088 0.000 2.244 657 E HA 0.069 4.425 4.350 0.009 0.000 0.196 657 E C 1.810 178.309 176.600 -0.169 0.000 0.939 657 E CA 0.213 56.556 56.400 -0.096 0.000 0.884 657 E CB 0.500 30.171 29.700 -0.048 0.000 0.850 657 E HN 0.136 nan 8.360 nan 0.000 0.481 658 R N -0.433 119.871 120.500 -0.326 0.000 2.098 658 R HA 0.238 4.584 4.340 0.009 0.000 0.203 658 R C 2.314 178.314 176.300 -0.500 0.000 1.166 658 R CA 0.333 56.195 56.100 -0.397 0.000 1.090 658 R CB -0.099 29.801 30.300 -0.667 0.000 0.992 658 R HN 0.127 nan 8.270 nan 0.000 0.477 659 M N 1.051 120.316 119.600 -0.559 0.000 2.066 659 M HA -0.133 4.353 4.480 0.009 0.000 0.259 659 M C 2.050 178.069 176.300 -0.470 0.000 1.074 659 M CA 1.833 56.810 55.300 -0.537 0.000 1.114 659 M CB -0.552 31.842 32.600 -0.344 0.000 1.306 659 M HN 0.153 nan 8.290 nan 0.000 0.411 660 E N -0.071 119.990 120.200 -0.231 0.000 2.086 660 E HA -0.226 4.130 4.350 0.009 0.000 0.200 660 E C -0.596 175.917 176.600 -0.145 0.000 1.012 660 E CA 1.558 57.890 56.400 -0.112 0.000 0.812 660 E CB -1.308 28.412 29.700 0.032 0.000 0.743 660 E HN 0.405 nan 8.360 nan 0.000 0.453 661 P HA -0.170 nan 4.420 nan 0.000 0.216 661 P C 1.058 178.227 177.300 -0.218 0.000 1.150 661 P CA 1.825 64.835 63.100 -0.150 0.000 0.837 661 P CB -0.016 31.600 31.700 -0.140 0.000 0.786 662 A N -0.523 122.048 122.820 -0.416 0.000 1.877 662 A HA -0.179 4.147 4.320 0.009 0.000 0.216 662 A C 2.226 179.593 177.584 -0.361 0.000 1.186 662 A CA 1.455 53.184 52.037 -0.513 0.000 0.620 662 A CB -1.643 16.654 19.000 -1.171 0.000 0.822 662 A HN 0.097 nan 8.150 nan 0.000 0.443 663 I N -0.324 120.029 120.570 -0.362 0.000 2.208 663 I HA -0.280 3.896 4.170 0.009 0.000 0.245 663 I C 2.290 178.352 176.117 -0.091 0.000 1.097 663 I CA 1.951 63.091 61.300 -0.266 0.000 1.363 663 I CB -0.411 37.453 38.000 -0.226 0.000 1.051 663 I HN 0.403 nan 8.210 nan 0.000 0.413 664 D N 0.829 121.233 120.400 0.006 0.000 2.084 664 D HA -0.182 4.464 4.640 0.009 0.000 0.194 664 D C 2.362 178.694 176.300 0.053 0.000 0.990 664 D CA 1.454 55.541 54.000 0.145 0.000 0.826 664 D CB 0.042 40.915 40.800 0.121 0.000 0.971 664 D HN 0.100 nan 8.370 nan 0.000 0.453 665 R N -0.360 120.119 120.500 -0.035 0.000 2.105 665 R HA -0.060 4.285 4.340 0.009 0.000 0.239 665 R C 2.457 178.743 176.300 -0.023 0.000 1.135 665 R CA 1.194 57.267 56.100 -0.045 0.000 0.967 665 R CB -0.551 29.710 30.300 -0.065 0.000 0.861 665 R HN 0.256 nan 8.270 nan 0.000 0.442 666 G N 0.455 109.221 108.800 -0.057 0.000 2.418 666 G HA2 -0.241 3.724 3.960 0.009 0.000 0.217 666 G HA3 -0.241 3.724 3.960 0.009 0.000 0.217 666 G C 1.023 175.989 174.900 0.109 0.000 1.158 666 G CA 0.519 45.626 45.100 0.011 0.000 0.771 666 G HN 0.172 nan 8.290 nan 0.000 0.545 667 F N 0.941 120.941 119.950 0.083 0.000 2.456 667 F HA 0.211 4.743 4.527 0.009 0.000 0.298 667 F C 2.773 178.441 175.800 -0.220 0.000 1.104 667 F CA 0.307 58.289 58.000 -0.030 0.000 1.435 667 F CB -0.137 38.940 39.000 0.128 0.000 1.078 667 F HN 0.017 nan 8.300 nan 0.000 0.546 668 R N 0.079 120.502 120.500 -0.129 0.000 2.066 668 R HA -0.175 4.170 4.340 0.009 0.000 0.232 668 R C 2.134 178.386 176.300 -0.080 0.000 1.131 668 R CA 1.564 57.513 56.100 -0.253 0.000 0.955 668 R CB -0.552 29.636 30.300 -0.187 0.000 0.851 668 R HN 0.328 nan 8.270 nan 0.000 0.432 669 E N 0.880 121.089 120.200 0.015 0.000 2.038 669 E HA -0.243 4.113 4.350 0.009 0.000 0.195 669 E C 2.059 178.665 176.600 0.011 0.000 1.000 669 E CA 1.314 57.767 56.400 0.088 0.000 0.803 669 E CB -0.024 29.817 29.700 0.235 0.000 0.750 669 E HN 0.198 nan 8.360 nan 0.000 0.448 670 M N 0.428 119.894 119.600 -0.224 0.000 2.108 670 M HA -0.199 4.286 4.480 0.009 0.000 0.261 670 M C 2.599 178.757 176.300 -0.237 0.000 1.066 670 M CA 1.662 56.547 55.300 -0.692 0.000 1.107 670 M CB -0.375 31.407 32.600 -1.364 0.000 1.356 670 M HN 0.407 nan 8.290 nan 0.000 0.406 671 C N 0.815 120.060 119.300 -0.091 0.000 2.413 671 C HA -0.201 4.265 4.460 0.009 0.000 0.276 671 C C 2.484 177.478 174.990 0.006 0.000 1.248 671 C CA 2.045 61.069 59.018 0.011 0.000 1.742 671 C CB -0.980 26.785 27.740 0.041 0.000 2.017 671 C HN 0.737 nan 8.230 nan 0.000 0.481 672 E N -0.509 119.696 120.200 0.009 0.000 2.015 672 E HA -0.225 4.131 4.350 0.009 0.000 0.191 672 E C 2.056 178.701 176.600 0.076 0.000 0.991 672 E CA 1.850 58.272 56.400 0.036 0.000 0.802 672 E CB -0.928 28.799 29.700 0.044 0.000 0.759 672 E HN 0.700 nan 8.360 nan 0.000 0.447 673 Y N 0.035 120.301 120.300 -0.058 0.000 2.132 673 Y HA -0.239 4.316 4.550 0.009 0.000 0.280 673 Y C 1.987 177.847 175.900 -0.068 0.000 1.193 673 Y CA 2.034 60.108 58.100 -0.045 0.000 1.157 673 Y CB -0.389 38.040 38.460 -0.052 0.000 0.966 673 Y HN 0.197 nan 8.280 nan 0.000 0.511 674 M N 0.484 120.010 119.600 -0.122 0.000 2.595 674 M HA 0.053 4.539 4.480 0.009 0.000 0.248 674 M C 0.609 176.849 176.300 -0.101 0.000 1.119 674 M CA 0.601 55.794 55.300 -0.179 0.000 1.079 674 M CB -1.140 31.448 32.600 -0.020 0.000 1.472 674 M HN 0.381 nan 8.290 nan 0.000 0.501 675 N N 1.346 120.013 118.700 -0.056 0.000 2.740 675 N HA -0.228 4.518 4.740 0.009 0.000 0.248 675 N C -0.997 174.501 175.510 -0.021 0.000 1.062 675 N CA 0.555 53.582 53.050 -0.038 0.000 0.704 675 N CB -1.570 36.878 38.487 -0.065 0.000 0.968 675 N HN 0.591 nan 8.380 nan 0.000 0.547 676 N N 0.156 118.848 118.700 -0.014 0.000 2.399 676 N HA 0.073 4.819 4.740 0.009 0.000 0.250 676 N C 1.280 176.776 175.510 -0.024 0.000 1.272 676 N CA -0.145 52.887 53.050 -0.031 0.000 0.928 676 N CB 0.674 39.127 38.487 -0.056 0.000 1.158 676 N HN 0.265 nan 8.380 nan 0.000 0.463 677 K N 0.398 120.772 120.400 -0.043 0.000 1.965 677 K HA -0.185 4.141 4.320 0.009 0.000 0.214 677 K C 0.052 176.639 176.600 -0.021 0.000 1.046 677 K CA 1.376 57.647 56.287 -0.027 0.000 0.944 677 K CB 0.104 32.579 32.500 -0.042 0.000 0.726 677 K HN 0.696 nan 8.250 nan 0.000 0.441 678 Q N -0.485 119.287 119.800 -0.046 0.000 2.331 678 Q HA 0.162 4.508 4.340 0.009 0.000 0.272 678 Q C -1.283 174.698 176.000 -0.032 0.000 1.062 678 Q CA -0.903 54.890 55.803 -0.016 0.000 0.806 678 Q CB 1.343 30.072 28.738 -0.015 0.000 1.312 678 Q HN 0.252 nan 8.270 nan 0.000 0.431 679 H N 4.116 123.148 119.070 -0.062 0.000 3.046 679 H HA 0.087 4.648 4.556 0.009 0.000 0.303 679 H C -0.626 174.560 175.328 -0.237 0.000 1.002 679 H CA 0.586 56.574 56.048 -0.099 0.000 1.460 679 H CB 0.580 30.348 29.762 0.009 0.000 1.493 679 H HN 0.787 nan 8.280 nan 0.000 0.559 680 L N 5.869 126.561 121.223 -0.884 0.000 3.521 680 L HA 0.136 4.482 4.340 0.009 0.000 0.323 680 L C -0.243 175.660 176.870 -1.611 0.000 1.268 680 L CA -0.189 53.815 54.840 -1.393 0.000 1.064 680 L CB 0.551 42.167 42.059 -0.739 0.000 1.455 680 L HN 0.621 nan 8.230 nan 0.000 0.622 681 M N 1.593 120.462 119.600 -1.217 0.000 2.383 681 M HA 0.278 4.764 4.480 0.009 0.000 0.337 681 M C -1.100 174.809 176.300 -0.652 0.000 1.422 681 M CA 0.333 55.087 55.300 -0.911 0.000 1.333 681 M CB -0.575 31.424 32.600 -1.001 0.000 1.488 681 M HN -0.119 nan 8.290 nan 0.000 0.454 682 F N 3.416 123.217 119.950 -0.249 0.000 2.347 682 F HA 0.505 5.038 4.527 0.010 0.000 0.366 682 F C 0.202 176.020 175.800 0.031 0.000 1.107 682 F CA -1.062 56.901 58.000 -0.061 0.000 1.058 682 F CB 0.922 39.884 39.000 -0.064 0.000 1.236 682 F HN 0.441 nan 8.300 nan 0.000 0.456 683 M N 5.263 125.069 119.600 0.344 0.000 2.036 683 M HA 0.325 4.811 4.480 0.009 0.000 0.337 683 M C -1.479 175.023 176.300 0.337 0.000 1.012 683 M CA -0.532 54.967 55.300 0.332 0.000 0.962 683 M CB 0.343 33.213 32.600 0.451 0.000 1.423 683 M HN 0.654 nan 8.290 nan 0.000 0.405 684 D N 2.960 123.522 120.400 0.270 0.000 2.299 684 D HA 0.334 4.980 4.640 0.009 0.000 0.243 684 D C -0.511 175.857 176.300 0.114 0.000 0.982 684 D CA -0.878 53.262 54.000 0.233 0.000 0.924 684 D CB 0.921 41.788 40.800 0.112 0.000 1.238 684 D HN 0.461 nan 8.370 nan 0.000 0.484 685 R N 1.040 121.481 120.500 -0.098 0.000 2.570 685 R HA -0.002 4.344 4.340 0.009 0.000 0.277 685 R C -0.146 175.953 176.300 -0.335 0.000 1.039 685 R CA 0.452 56.147 56.100 -0.676 0.000 1.065 685 R CB 0.483 30.359 30.300 -0.706 0.000 0.964 685 R HN 0.700 nan 8.270 nan 0.000 0.428 686 E N 2.262 122.255 120.200 -0.345 0.000 2.184 686 E HA 0.179 4.534 4.350 0.009 0.000 0.194 686 E C -0.358 176.179 176.600 -0.105 0.000 0.978 686 E CA 0.056 56.361 56.400 -0.158 0.000 0.998 686 E CB 0.245 29.884 29.700 -0.101 0.000 1.240 686 E HN 0.712 nan 8.360 nan 0.000 0.492 687 A N 1.539 124.316 122.820 -0.072 0.000 2.301 687 A HA 0.575 4.901 4.320 0.009 0.000 0.312 687 A C -0.426 177.203 177.584 0.075 0.000 1.182 687 A CA -0.334 51.732 52.037 0.049 0.000 0.826 687 A CB 0.335 19.424 19.000 0.148 0.000 1.134 687 A HN 0.237 nan 8.150 nan 0.000 0.501 688 I N 1.885 122.553 120.570 0.163 0.000 2.382 688 I HA 0.554 4.730 4.170 0.009 0.000 0.286 688 I C 0.259 176.653 176.117 0.460 0.000 1.002 688 I CA -0.176 61.294 61.300 0.283 0.000 1.135 688 I CB 1.761 39.908 38.000 0.245 0.000 1.288 688 I HN 0.695 nan 8.210 nan 0.000 0.448 689 A N 4.710 127.848 122.820 0.530 0.000 2.393 689 A HA 0.986 5.311 4.320 0.009 0.000 0.306 689 A C -0.292 177.647 177.584 0.592 0.000 1.050 689 A CA -0.422 51.943 52.037 0.548 0.000 0.724 689 A CB 1.776 20.986 19.000 0.350 0.000 1.248 689 A HN 0.870 nan 8.150 nan 0.000 0.424 690 G N 0.983 110.204 108.800 0.701 0.000 2.430 690 G HA2 0.709 4.675 3.960 0.009 0.000 0.300 690 G HA3 0.709 4.675 3.960 0.009 0.000 0.300 690 G C -3.613 171.589 174.900 0.504 0.000 1.330 690 G CA -0.795 44.477 45.100 0.285 0.000 0.813 690 G HN 0.543 nan 8.290 nan 0.000 0.487 691 P HA 0.460 nan 4.420 nan 0.000 0.282 691 P C -2.704 174.891 177.300 0.492 0.000 1.259 691 P CA -1.778 61.497 63.100 0.291 0.000 0.826 691 P CB 0.574 32.309 31.700 0.059 0.000 1.064 692 P HA 0.033 nan 4.420 nan 0.000 0.268 692 P C 0.157 177.621 177.300 0.273 0.000 1.208 692 P CA 0.129 63.474 63.100 0.408 0.000 0.777 692 P CB 0.257 32.172 31.700 0.358 0.000 0.875 693 L N 2.204 123.572 121.223 0.240 0.000 2.601 693 L HA -0.012 4.334 4.340 0.009 0.000 0.277 693 L C 1.478 178.441 176.870 0.155 0.000 1.219 693 L CA 0.844 55.819 54.840 0.224 0.000 0.915 693 L CB -0.831 41.356 42.059 0.214 0.000 1.160 693 L HN 0.805 nan 8.230 nan 0.000 0.494 694 G N 2.582 111.462 108.800 0.133 0.000 2.321 694 G HA2 -0.313 3.653 3.960 0.009 0.000 0.287 694 G HA3 -0.313 3.653 3.960 0.009 0.000 0.287 694 G C 0.408 175.361 174.900 0.090 0.000 1.018 694 G CA 0.624 45.782 45.100 0.098 0.000 0.855 694 G HN 0.822 nan 8.290 nan 0.000 0.507 695 S N -1.405 114.356 115.700 0.102 0.000 2.713 695 S HA 0.703 5.179 4.470 0.009 0.000 0.277 695 S C 1.191 175.835 174.600 0.073 0.000 1.168 695 S CA -0.368 57.888 58.200 0.094 0.000 0.994 695 S CB 1.379 64.652 63.200 0.121 0.000 1.054 695 S HN 0.120 nan 8.310 nan 0.000 0.555 696 K N 0.278 120.718 120.400 0.067 0.000 2.444 696 K HA 0.181 4.506 4.320 0.009 0.000 0.193 696 K C 1.050 177.681 176.600 0.052 0.000 1.024 696 K CA 0.314 56.633 56.287 0.053 0.000 1.077 696 K CB -0.828 31.702 32.500 0.049 0.000 0.833 696 K HN 0.707 nan 8.250 nan 0.000 0.517 697 G N 1.968 110.806 108.800 0.064 0.000 2.491 697 G HA2 0.195 4.161 3.960 0.009 0.000 0.242 697 G HA3 0.195 4.161 3.960 0.009 0.000 0.242 697 G C 0.939 175.865 174.900 0.043 0.000 1.266 697 G CA -0.533 44.606 45.100 0.065 0.000 0.844 697 G HN 0.317 nan 8.290 nan 0.000 0.571 698 I N -0.196 120.406 120.570 0.054 0.000 3.883 698 I HA 0.358 4.533 4.170 0.009 0.000 0.326 698 I C 1.670 177.816 176.117 0.048 0.000 1.283 698 I CA 0.397 61.727 61.300 0.049 0.000 1.161 698 I CB 0.113 38.160 38.000 0.079 0.000 1.012 698 I HN 0.784 nan 8.210 nan 0.000 0.421 699 G N 1.463 110.291 108.800 0.047 0.000 3.078 699 G HA2 -0.222 3.743 3.960 0.009 0.000 0.227 699 G HA3 -0.222 3.743 3.960 0.009 0.000 0.227 699 G C 0.513 175.474 174.900 0.101 0.000 1.306 699 G CA 0.041 45.171 45.100 0.049 0.000 0.841 699 G HN 1.192 nan 8.290 nan 0.000 0.530 700 G N -1.183 107.713 108.800 0.160 0.000 2.576 700 G HA2 0.835 4.801 3.960 0.009 0.000 0.290 700 G HA3 0.835 4.801 3.960 0.009 0.000 0.290 700 G C -1.007 174.095 174.900 0.336 0.000 1.442 700 G CA 0.043 45.234 45.100 0.152 0.000 0.792 700 G HN 1.758 nan 8.290 nan 0.000 0.491 701 F N -2.191 117.842 119.950 0.139 0.000 2.693 701 F HA 0.832 5.365 4.527 0.009 0.000 0.309 701 F C -1.675 174.233 175.800 0.179 0.000 1.129 701 F CA -1.970 56.185 58.000 0.258 0.000 0.948 701 F CB 1.414 40.479 39.000 0.108 0.000 1.315 701 F HN 0.557 nan 8.300 nan 0.000 0.447 702 W N 1.633 123.148 121.300 0.357 0.000 2.706 702 W HA 0.390 5.055 4.660 0.009 0.000 0.346 702 W C 0.348 177.034 176.519 0.279 0.000 1.071 702 W CA -0.152 57.299 57.345 0.177 0.000 1.206 702 W CB 2.695 32.175 29.460 0.034 0.000 1.413 702 W HN 0.868 nan 8.180 nan 0.000 0.542 703 T N -0.988 113.784 114.554 0.364 0.000 2.969 703 T HA 0.448 4.804 4.350 0.009 0.000 0.250 703 T C 0.502 175.334 174.700 0.220 0.000 1.021 703 T CA 0.734 63.007 62.100 0.289 0.000 1.003 703 T CB 1.050 70.081 68.868 0.273 0.000 1.040 703 T HN 0.615 nan 8.240 nan 0.000 0.492 704 G N 0.619 109.553 108.800 0.224 0.000 2.323 704 G HA2 0.350 4.315 3.960 0.009 0.000 0.291 704 G HA3 0.350 4.315 3.960 0.009 0.000 0.291 704 G C -1.844 173.156 174.900 0.167 0.000 1.278 704 G CA -1.183 44.022 45.100 0.175 0.000 0.860 704 G HN 0.308 nan 8.290 nan 0.000 0.504 705 K N 0.993 121.501 120.400 0.180 0.000 2.527 705 K HA 0.175 4.500 4.320 0.009 0.000 0.278 705 K C 0.233 176.957 176.600 0.206 0.000 0.981 705 K CA 0.695 57.144 56.287 0.270 0.000 1.009 705 K CB 0.268 32.909 32.500 0.235 0.000 0.895 705 K HN 0.564 nan 8.250 nan 0.000 0.493 706 K N 0.664 121.250 120.400 0.310 0.000 3.349 706 K HA -0.237 4.088 4.320 0.009 0.000 0.310 706 K C -0.650 175.970 176.600 0.033 0.000 1.267 706 K CA 1.326 57.744 56.287 0.219 0.000 0.920 706 K CB -1.188 31.400 32.500 0.146 0.000 1.240 706 K HN 0.687 nan 8.250 nan 0.000 0.453 707 R N 0.164 120.659 120.500 -0.008 0.000 2.575 707 R HA 0.377 4.723 4.340 0.009 0.000 0.292 707 R C -0.755 175.330 176.300 -0.359 0.000 1.246 707 R CA -0.747 55.249 56.100 -0.173 0.000 0.973 707 R CB 0.988 31.272 30.300 -0.026 0.000 1.187 707 R HN 0.212 nan 8.270 nan 0.000 0.478 708 Y N -0.839 118.962 120.300 -0.830 0.000 2.656 708 Y HA 0.842 5.398 4.550 0.009 0.000 0.334 708 Y C -1.717 173.501 175.900 -1.137 0.000 1.179 708 Y CA -1.520 55.766 58.100 -1.357 0.000 1.050 708 Y CB 1.378 38.244 38.460 -2.657 0.000 1.308 708 Y HN 0.450 nan 8.280 nan 0.000 0.456 709 A N 2.256 124.365 122.820 -1.185 0.000 2.427 709 A HA 0.844 5.170 4.320 0.009 0.000 0.298 709 A C -1.983 175.231 177.584 -0.616 0.000 1.036 709 A CA -0.750 50.731 52.037 -0.926 0.000 0.701 709 A CB 1.134 19.475 19.000 -1.098 0.000 1.250 709 A HN 0.782 nan 8.150 nan 0.000 0.412 710 L N 1.176 122.199 121.223 -0.333 0.000 2.371 710 L HA 0.502 4.848 4.340 0.009 0.000 0.262 710 L C -0.465 176.341 176.870 -0.106 0.000 1.006 710 L CA -1.048 53.715 54.840 -0.127 0.000 0.818 710 L CB 2.457 44.536 42.059 0.032 0.000 1.354 710 L HN 0.753 nan 8.230 nan 0.000 0.415 711 N N 1.066 119.738 118.700 -0.047 0.000 2.500 711 N HA 0.377 5.122 4.740 0.009 0.000 0.236 711 N C -1.193 174.228 175.510 -0.149 0.000 1.022 711 N CA -0.231 52.737 53.050 -0.136 0.000 0.935 711 N CB 0.985 39.415 38.487 -0.095 0.000 1.147 711 N HN 0.281 nan 8.380 nan 0.000 0.512 712 V N 4.017 123.815 119.914 -0.192 0.000 2.439 712 V HA 0.259 4.384 4.120 0.009 0.000 0.282 712 V C 0.299 176.332 176.094 -0.102 0.000 1.039 712 V CA -0.456 61.839 62.300 -0.009 0.000 0.913 712 V CB 1.143 33.034 31.823 0.113 0.000 0.983 712 V HN 0.761 nan 8.190 nan 0.000 0.460 713 W N 0.617 122.032 121.300 0.192 0.000 2.699 713 W HA 0.278 4.944 4.660 0.009 0.000 0.265 713 W C 0.759 177.322 176.519 0.074 0.000 1.210 713 W CA 0.025 57.452 57.345 0.137 0.000 1.414 713 W CB 0.589 30.026 29.460 -0.038 0.000 1.043 713 W HN 0.461 nan 8.180 nan 0.000 0.599 714 D N 0.298 120.823 120.400 0.207 0.000 2.896 714 D HA 0.280 4.925 4.640 0.009 0.000 0.241 714 D C -1.431 174.842 176.300 -0.046 0.000 1.188 714 D CA -0.466 53.511 54.000 -0.038 0.000 0.879 714 D CB 1.727 42.517 40.800 -0.017 0.000 1.553 714 D HN -0.208 nan 8.370 nan 0.000 0.515 715 M N 3.422 122.902 119.600 -0.201 0.000 2.053 715 M HA 0.243 4.728 4.480 0.009 0.000 0.297 715 M C -0.359 175.872 176.300 -0.115 0.000 0.921 715 M CA 0.013 55.266 55.300 -0.079 0.000 0.918 715 M CB 0.769 33.404 32.600 0.058 0.000 1.499 715 M HN 0.476 nan 8.290 nan 0.000 0.422 716 E N 3.413 123.563 120.200 -0.083 0.000 2.476 716 E HA -0.229 4.127 4.350 0.009 0.000 0.251 716 E C 0.662 177.207 176.600 -0.092 0.000 1.130 716 E CA 1.049 57.402 56.400 -0.078 0.000 0.736 716 E CB -1.493 28.175 29.700 -0.054 0.000 1.298 716 E HN 1.347 nan 8.360 nan 0.000 0.400 717 G N -0.743 107.993 108.800 -0.106 0.000 2.157 717 G HA2 -0.294 3.672 3.960 0.009 0.000 0.248 717 G HA3 -0.294 3.672 3.960 0.009 0.000 0.248 717 G C 0.204 175.023 174.900 -0.135 0.000 0.979 717 G CA 0.414 45.454 45.100 -0.100 0.000 0.650 717 G HN 0.262 nan 8.290 nan 0.000 0.529 718 T N 0.672 115.100 114.554 -0.210 0.000 2.743 718 T HA 0.557 4.912 4.350 0.009 0.000 0.292 718 T C 0.181 174.617 174.700 -0.439 0.000 0.972 718 T CA -0.398 61.519 62.100 -0.305 0.000 0.967 718 T CB 1.482 70.136 68.868 -0.356 0.000 0.926 718 T HN 0.420 nan 8.240 nan 0.000 0.459 719 R N 3.179 123.518 120.500 -0.268 0.000 2.202 719 R HA 0.339 4.685 4.340 0.009 0.000 0.334 719 R C -1.244 174.981 176.300 -0.125 0.000 1.036 719 R CA -0.583 55.409 56.100 -0.180 0.000 0.878 719 R CB -0.241 30.023 30.300 -0.060 0.000 1.067 719 R HN 0.475 nan 8.270 nan 0.000 0.457 720 Y N 2.760 123.097 120.300 0.060 0.000 2.346 720 Y HA 0.205 4.760 4.550 0.009 0.000 0.330 720 Y C 1.572 177.520 175.900 0.080 0.000 1.178 720 Y CA 0.250 58.376 58.100 0.043 0.000 1.331 720 Y CB 0.993 39.452 38.460 -0.002 0.000 1.253 720 Y HN 0.795 nan 8.280 nan 0.000 0.529 721 A N 2.086 125.057 122.820 0.250 0.000 1.873 721 A HA -0.120 4.206 4.320 0.009 0.000 0.218 721 A C 0.677 178.384 177.584 0.205 0.000 1.193 721 A CA 1.473 53.635 52.037 0.209 0.000 0.629 721 A CB -0.251 18.858 19.000 0.180 0.000 0.826 721 A HN 0.679 nan 8.150 nan 0.000 0.447 722 E N -0.370 119.914 120.200 0.141 0.000 2.212 722 E HA 0.412 4.767 4.350 0.009 0.000 0.268 722 E C -2.788 173.759 176.600 -0.089 0.000 0.902 722 E CA -2.563 53.863 56.400 0.043 0.000 0.779 722 E CB 1.172 30.866 29.700 -0.010 0.000 1.172 722 E HN 0.221 nan 8.360 nan 0.000 0.409 723 P HA 0.079 nan 4.420 nan 0.000 0.271 723 P C -0.447 176.550 177.300 -0.506 0.000 1.216 723 P CA -0.046 62.662 63.100 -0.654 0.000 0.776 723 P CB 1.088 31.896 31.700 -1.486 0.000 0.881 724 K N 3.127 123.213 120.400 -0.523 0.000 2.270 724 K HA 0.394 4.720 4.320 0.009 0.000 0.255 724 K C -0.511 175.877 176.600 -0.354 0.000 0.936 724 K CA -0.891 55.086 56.287 -0.517 0.000 0.809 724 K CB 1.062 33.013 32.500 -0.915 0.000 1.131 724 K HN 0.461 nan 8.250 nan 0.000 0.427 725 L N 4.014 125.064 121.223 -0.288 0.000 2.319 725 L HA 0.267 4.613 4.340 0.009 0.000 0.280 725 L C 0.552 177.298 176.870 -0.207 0.000 1.099 725 L CA -0.243 54.457 54.840 -0.234 0.000 0.828 725 L CB 0.685 42.615 42.059 -0.216 0.000 1.150 725 L HN 0.366 nan 8.230 nan 0.000 0.442 726 K N 5.586 125.877 120.400 -0.183 0.000 2.281 726 K HA 0.526 4.852 4.320 0.009 0.000 0.272 726 K C -0.938 175.485 176.600 -0.294 0.000 1.048 726 K CA -0.392 55.795 56.287 -0.166 0.000 0.898 726 K CB 0.870 33.340 32.500 -0.050 0.000 1.128 726 K HN 0.512 nan 8.250 nan 0.000 0.460 727 I N 4.374 124.745 120.570 -0.331 0.000 2.418 727 I HA 0.287 4.462 4.170 0.009 0.000 0.287 727 I C -0.724 175.101 176.117 -0.486 0.000 1.008 727 I CA -0.950 60.071 61.300 -0.465 0.000 1.104 727 I CB 1.697 39.472 38.000 -0.374 0.000 1.264 727 I HN 0.289 nan 8.210 nan 0.000 0.438 728 M N 4.119 123.266 119.600 -0.754 0.000 2.243 728 M HA 0.518 5.004 4.480 0.009 0.000 0.324 728 M C 0.782 176.776 176.300 -0.509 0.000 1.031 728 M CA -0.470 54.423 55.300 -0.678 0.000 0.949 728 M CB 1.222 33.144 32.600 -1.129 0.000 1.615 728 M HN 0.803 nan 8.290 nan 0.000 0.430 729 G N 2.506 111.143 108.800 -0.272 0.000 2.302 729 G HA2 -0.240 3.726 3.960 0.009 0.000 0.263 729 G HA3 -0.240 3.726 3.960 0.009 0.000 0.263 729 G C 0.223 175.057 174.900 -0.110 0.000 0.995 729 G CA 0.447 45.453 45.100 -0.156 0.000 0.622 729 G HN 0.601 nan 8.290 nan 0.000 0.538 730 L N -0.054 121.066 121.223 -0.171 0.000 2.476 730 L HA 0.378 4.724 4.340 0.009 0.000 0.255 730 L C 1.895 178.782 176.870 0.029 0.000 1.218 730 L CA -0.293 54.516 54.840 -0.051 0.000 0.819 730 L CB 0.224 42.127 42.059 -0.260 0.000 1.119 730 L HN 0.041 nan 8.230 nan 0.000 0.485 731 E N 0.032 120.339 120.200 0.179 0.000 2.209 731 E HA -0.179 4.176 4.350 0.009 0.000 0.196 731 E C 1.884 178.535 176.600 0.084 0.000 0.993 731 E CA 1.597 58.073 56.400 0.127 0.000 0.819 731 E CB -0.243 29.543 29.700 0.144 0.000 0.745 731 E HN 0.855 nan 8.360 nan 0.000 0.477 732 T N -1.171 113.424 114.554 0.068 0.000 2.897 732 T HA -0.172 4.184 4.350 0.009 0.000 0.271 732 T C 1.399 176.097 174.700 -0.003 0.000 1.084 732 T CA 0.879 62.992 62.100 0.021 0.000 1.123 732 T CB -0.047 68.798 68.868 -0.038 0.000 0.865 732 T HN 0.029 nan 8.240 nan 0.000 0.496 733 Q N 0.506 120.292 119.800 -0.024 0.000 2.384 733 Q HA 0.307 4.653 4.340 0.009 0.000 0.207 733 Q C 0.311 176.308 176.000 -0.004 0.000 0.904 733 Q CA 0.382 56.169 55.803 -0.028 0.000 0.933 733 Q CB 0.374 29.071 28.738 -0.068 0.000 1.077 733 Q HN 0.584 nan 8.270 nan 0.000 0.522 734 K N 1.233 121.636 120.400 0.005 0.000 2.183 734 K HA 0.194 4.519 4.320 0.009 0.000 0.274 734 K C 0.925 177.529 176.600 0.007 0.000 1.009 734 K CA -0.017 56.271 56.287 0.003 0.000 0.888 734 K CB 1.262 33.764 32.500 0.003 0.000 1.078 734 K HN -0.011 nan 8.250 nan 0.000 0.459 735 S N 0.129 115.824 115.700 -0.008 0.000 2.547 735 S HA -0.128 4.347 4.470 0.009 0.000 0.235 735 S C 1.509 176.090 174.600 -0.032 0.000 0.980 735 S CA 1.082 59.269 58.200 -0.021 0.000 0.941 735 S CB -0.211 62.960 63.200 -0.047 0.000 0.763 735 S HN 0.605 nan 8.310 nan 0.000 0.532 736 S N 0.984 116.667 115.700 -0.028 0.000 2.528 736 S HA 0.078 4.554 4.470 0.009 0.000 0.219 736 S C 0.929 175.530 174.600 0.002 0.000 0.985 736 S CA 0.244 58.423 58.200 -0.035 0.000 0.914 736 S CB -0.643 62.525 63.200 -0.053 0.000 0.776 736 S HN 0.640 nan 8.310 nan 0.000 0.526 737 T N 2.401 116.969 114.554 0.024 0.000 2.817 737 T HA 0.461 4.817 4.350 0.009 0.000 0.293 737 T C -3.107 171.636 174.700 0.072 0.000 0.964 737 T CA -2.337 59.796 62.100 0.054 0.000 1.085 737 T CB 0.528 69.436 68.868 0.066 0.000 0.921 737 T HN -0.078 nan 8.240 nan 0.000 0.502 738 P HA 0.032 nan 4.420 nan 0.000 0.263 738 P C 0.961 178.323 177.300 0.104 0.000 1.175 738 P CA -0.180 62.975 63.100 0.092 0.000 0.761 738 P CB 0.513 32.292 31.700 0.131 0.000 0.794 739 K N 3.216 123.667 120.400 0.085 0.000 2.020 739 K HA -0.223 4.103 4.320 0.009 0.000 0.212 739 K C 1.898 178.564 176.600 0.111 0.000 1.050 739 K CA 2.254 58.600 56.287 0.097 0.000 0.929 739 K CB -0.943 31.613 32.500 0.092 0.000 0.714 739 K HN 0.516 nan 8.250 nan 0.000 0.443 740 A N 0.900 123.794 122.820 0.123 0.000 1.948 740 A HA -0.148 4.178 4.320 0.009 0.000 0.220 740 A C 2.460 180.173 177.584 0.215 0.000 1.177 740 A CA 1.864 54.009 52.037 0.180 0.000 0.636 740 A CB -0.579 18.542 19.000 0.202 0.000 0.815 740 A HN 0.121 nan 8.150 nan 0.000 0.449 741 V N -0.476 119.572 119.914 0.224 0.000 2.379 741 V HA -0.267 3.859 4.120 0.009 0.000 0.245 741 V C 2.569 178.758 176.094 0.159 0.000 1.044 741 V CA 2.001 64.434 62.300 0.221 0.000 1.036 741 V CB -0.885 31.107 31.823 0.281 0.000 0.664 741 V HN 0.632 nan 8.190 nan 0.000 0.453 742 Q N -0.023 119.855 119.800 0.130 0.000 2.045 742 Q HA -0.274 4.072 4.340 0.009 0.000 0.206 742 Q C 2.425 178.471 176.000 0.076 0.000 0.991 742 Q CA 1.893 57.755 55.803 0.098 0.000 0.851 742 Q CB -0.278 28.509 28.738 0.082 0.000 0.911 742 Q HN 0.510 nan 8.270 nan 0.000 0.418 743 K N 0.043 120.488 120.400 0.075 0.000 2.032 743 K HA -0.186 4.140 4.320 0.009 0.000 0.209 743 K C 2.060 178.688 176.600 0.046 0.000 1.048 743 K CA 1.325 57.647 56.287 0.058 0.000 0.927 743 K CB -0.162 32.388 32.500 0.083 0.000 0.712 743 K HN 0.194 nan 8.250 nan 0.000 0.441 744 A N 0.944 123.774 122.820 0.018 0.000 1.929 744 A HA -0.083 4.242 4.320 0.009 0.000 0.216 744 A C 2.082 179.742 177.584 0.125 0.000 1.176 744 A CA 0.992 53.005 52.037 -0.041 0.000 0.628 744 A CB -0.445 18.053 19.000 -0.836 0.000 0.816 744 A HN 0.225 nan 8.150 nan 0.000 0.444 745 L N -0.653 120.672 121.223 0.171 0.000 2.093 745 L HA -0.176 4.169 4.340 0.009 0.000 0.208 745 L C 2.585 179.515 176.870 0.101 0.000 1.085 745 L CA 1.787 56.747 54.840 0.199 0.000 0.755 745 L CB -0.354 41.853 42.059 0.247 0.000 0.904 745 L HN 0.455 nan 8.230 nan 0.000 0.435 746 K N 0.386 120.804 120.400 0.031 0.000 2.057 746 K HA -0.265 4.060 4.320 0.009 0.000 0.207 746 K C 2.073 178.621 176.600 -0.086 0.000 1.049 746 K CA 1.719 57.980 56.287 -0.044 0.000 0.931 746 K CB 0.077 32.549 32.500 -0.048 0.000 0.714 746 K HN 0.080 nan 8.250 nan 0.000 0.440 747 E N 0.290 120.414 120.200 -0.126 0.000 2.106 747 E HA -0.139 4.217 4.350 0.009 0.000 0.192 747 E C 1.722 178.156 176.600 -0.278 0.000 0.984 747 E CA 1.453 57.672 56.400 -0.302 0.000 0.806 747 E CB -0.328 28.994 29.700 -0.631 0.000 0.750 747 E HN 0.383 nan 8.360 nan 0.000 0.458 748 C N -0.112 119.126 119.300 -0.104 0.000 2.429 748 C HA -0.028 4.438 4.460 0.009 0.000 0.277 748 C C 2.587 177.601 174.990 0.040 0.000 1.262 748 C CA 0.594 59.640 59.018 0.047 0.000 1.733 748 C CB -0.928 26.924 27.740 0.187 0.000 2.010 748 C HN 0.473 nan 8.230 nan 0.000 0.483 749 I N 0.127 120.711 120.570 0.024 0.000 2.202 749 I HA -0.172 4.004 4.170 0.009 0.000 0.242 749 I C 2.870 178.984 176.117 -0.004 0.000 1.091 749 I CA 1.319 62.637 61.300 0.031 0.000 1.368 749 I CB -0.529 37.432 38.000 -0.066 0.000 1.058 749 I HN 0.267 nan 8.210 nan 0.000 0.410 750 R N 0.944 121.404 120.500 -0.067 0.000 2.096 750 R HA -0.209 4.136 4.340 0.009 0.000 0.240 750 R C 2.424 178.696 176.300 -0.047 0.000 1.139 750 R CA 1.758 57.810 56.100 -0.081 0.000 0.952 750 R CB -0.152 30.078 30.300 -0.118 0.000 0.854 750 R HN 0.278 nan 8.270 nan 0.000 0.436 751 R N -0.490 119.979 120.500 -0.053 0.000 2.148 751 R HA -0.037 4.309 4.340 0.009 0.000 0.227 751 R C 2.352 178.670 176.300 0.030 0.000 1.103 751 R CA 1.470 57.561 56.100 -0.014 0.000 0.983 751 R CB -0.092 30.195 30.300 -0.021 0.000 0.874 751 R HN 0.298 nan 8.270 nan 0.000 0.451 752 M N 0.069 119.695 119.600 0.044 0.000 2.132 752 M HA -0.129 4.356 4.480 0.009 0.000 0.263 752 M C 1.892 178.239 176.300 0.078 0.000 1.065 752 M CA 1.667 57.005 55.300 0.063 0.000 1.122 752 M CB -0.008 32.637 32.600 0.075 0.000 1.365 752 M HN 0.129 nan 8.290 nan 0.000 0.411 753 L N -1.325 119.945 121.223 0.078 0.000 2.209 753 L HA -0.085 4.261 4.340 0.009 0.000 0.207 753 L C 2.223 179.135 176.870 0.069 0.000 1.094 753 L CA 0.813 55.698 54.840 0.076 0.000 0.790 753 L CB -0.544 41.541 42.059 0.043 0.000 0.932 753 L HN 0.316 nan 8.230 nan 0.000 0.447 754 Q N -0.128 119.703 119.800 0.051 0.000 2.226 754 Q HA 0.075 4.421 4.340 0.009 0.000 0.199 754 Q C 0.406 176.459 176.000 0.088 0.000 0.945 754 Q CA 0.564 56.413 55.803 0.077 0.000 0.861 754 Q CB 0.529 29.288 28.738 0.035 0.000 0.953 754 Q HN 0.501 nan 8.270 nan 0.000 0.490 755 E N -0.763 119.475 120.200 0.063 0.000 2.568 755 E HA 0.463 4.819 4.350 0.009 0.000 0.242 755 E C -0.140 176.496 176.600 0.059 0.000 0.945 755 E CA -0.514 55.925 56.400 0.064 0.000 0.918 755 E CB 0.768 30.502 29.700 0.056 0.000 1.386 755 E HN 0.153 nan 8.360 nan 0.000 0.426 756 G N -0.369 108.465 108.800 0.057 0.000 2.940 756 G HA2 0.060 4.026 3.960 0.009 0.000 0.164 756 G HA3 0.060 4.026 3.960 0.009 0.000 0.164 756 G C 0.411 175.342 174.900 0.050 0.000 1.326 756 G CA -0.117 45.013 45.100 0.050 0.000 1.020 756 G HN 0.569 nan 8.290 nan 0.000 0.586 757 E N -0.299 119.925 120.200 0.041 0.000 2.072 757 E HA -0.102 4.254 4.350 0.009 0.000 0.190 757 E C 2.172 178.807 176.600 0.059 0.000 0.982 757 E CA 1.325 57.748 56.400 0.039 0.000 0.803 757 E CB -0.038 29.673 29.700 0.017 0.000 0.755 757 E HN 0.607 nan 8.360 nan 0.000 0.453 758 E N 0.371 120.605 120.200 0.058 0.000 2.038 758 E HA -0.220 4.136 4.350 0.009 0.000 0.195 758 E C 2.199 178.859 176.600 0.099 0.000 1.000 758 E CA 1.296 57.738 56.400 0.070 0.000 0.803 758 E CB -0.296 29.439 29.700 0.059 0.000 0.750 758 E HN 0.118 nan 8.360 nan 0.000 0.448 759 S N 1.012 116.769 115.700 0.095 0.000 2.374 759 S HA -0.172 4.304 4.470 0.009 0.000 0.227 759 S C 1.955 176.651 174.600 0.160 0.000 1.037 759 S CA 0.988 59.257 58.200 0.114 0.000 1.024 759 S CB -0.250 63.001 63.200 0.084 0.000 0.861 759 S HN 0.300 nan 8.310 nan 0.000 0.456 760 L N 1.105 122.417 121.223 0.147 0.000 2.017 760 L HA -0.123 4.222 4.340 0.009 0.000 0.208 760 L C 2.393 179.435 176.870 0.286 0.000 1.073 760 L CA 2.103 57.062 54.840 0.199 0.000 0.745 760 L CB -1.409 40.732 42.059 0.137 0.000 0.894 760 L HN 0.513 nan 8.230 nan 0.000 0.432 761 Q N -0.229 119.701 119.800 0.216 0.000 2.050 761 Q HA -0.291 4.055 4.340 0.009 0.000 0.202 761 Q C 2.042 178.216 176.000 0.290 0.000 0.980 761 Q CA 1.997 57.944 55.803 0.239 0.000 0.840 761 Q CB -0.149 28.669 28.738 0.134 0.000 0.898 761 Q HN 0.579 nan 8.270 nan 0.000 0.424 762 E N -0.070 120.268 120.200 0.231 0.000 2.097 762 E HA -0.250 4.106 4.350 0.009 0.000 0.196 762 E C 1.699 178.450 176.600 0.252 0.000 1.000 762 E CA 1.154 57.679 56.400 0.208 0.000 0.804 762 E CB -0.098 29.706 29.700 0.173 0.000 0.740 762 E HN 0.409 nan 8.360 nan 0.000 0.454 763 Y N -0.607 119.810 120.300 0.195 0.000 2.220 763 Y HA -0.176 4.380 4.550 0.010 0.000 0.291 763 Y C 1.936 178.005 175.900 0.281 0.000 1.129 763 Y CA 1.641 59.865 58.100 0.206 0.000 1.161 763 Y CB -0.250 38.321 38.460 0.186 0.000 0.997 763 Y HN 0.156 nan 8.280 nan 0.000 0.522 764 F N 1.126 121.256 119.950 0.300 0.000 2.126 764 F HA -0.210 4.323 4.527 0.009 0.000 0.299 764 F C 2.393 178.304 175.800 0.184 0.000 1.096 764 F CA 2.166 60.350 58.000 0.306 0.000 1.255 764 F CB -0.416 38.803 39.000 0.366 0.000 0.997 764 F HN -0.082 nan 8.300 nan 0.000 0.479 765 K N 0.106 120.670 120.400 0.275 0.000 2.009 765 K HA -0.288 4.038 4.320 0.009 0.000 0.210 765 K C 2.162 178.719 176.600 -0.073 0.000 1.049 765 K CA 1.993 58.343 56.287 0.104 0.000 0.929 765 K CB -0.321 32.273 32.500 0.155 0.000 0.714 765 K HN 0.224 nan 8.250 nan 0.000 0.440 766 E N 0.121 120.272 120.200 -0.081 0.000 2.038 766 E HA -0.197 4.159 4.350 0.009 0.000 0.195 766 E C 1.716 178.167 176.600 -0.248 0.000 1.000 766 E CA 1.545 57.852 56.400 -0.155 0.000 0.803 766 E CB -0.381 29.225 29.700 -0.157 0.000 0.750 766 E HN 0.368 nan 8.360 nan 0.000 0.448 767 F N 1.225 120.865 119.950 -0.517 0.000 2.095 767 F HA -0.225 4.308 4.527 0.009 0.000 0.298 767 F C 2.336 177.880 175.800 -0.427 0.000 1.104 767 F CA 2.210 59.890 58.000 -0.533 0.000 1.232 767 F CB -0.142 38.452 39.000 -0.677 0.000 0.987 767 F HN 0.139 nan 8.300 nan 0.000 0.475 768 E N 0.354 120.231 120.200 -0.539 0.000 2.077 768 E HA -0.311 4.045 4.350 0.009 0.000 0.193 768 E C 2.163 178.564 176.600 -0.331 0.000 0.989 768 E CA 1.431 57.521 56.400 -0.517 0.000 0.800 768 E CB -0.197 29.188 29.700 -0.525 0.000 0.746 768 E HN 0.275 nan 8.360 nan 0.000 0.452 769 K N 0.573 120.815 120.400 -0.264 0.000 2.147 769 K HA -0.151 4.174 4.320 0.009 0.000 0.205 769 K C 1.575 178.052 176.600 -0.204 0.000 1.049 769 K CA 1.552 57.729 56.287 -0.183 0.000 0.936 769 K CB 0.173 32.594 32.500 -0.132 0.000 0.722 769 K HN 0.078 nan 8.250 nan 0.000 0.446 770 E N -0.941 119.095 120.200 -0.274 0.000 2.460 770 E HA -0.001 4.354 4.350 0.009 0.000 0.200 770 E C 1.331 177.737 176.600 -0.323 0.000 1.011 770 E CA -0.018 56.224 56.400 -0.263 0.000 0.912 770 E CB -0.158 29.409 29.700 -0.222 0.000 0.953 770 E HN 0.276 nan 8.360 nan 0.000 0.494 771 F N 2.885 122.463 119.950 -0.621 0.000 2.154 771 F HA -0.217 4.316 4.527 0.009 0.000 0.301 771 F C 1.858 177.471 175.800 -0.311 0.000 1.087 771 F CA 1.614 59.232 58.000 -0.637 0.000 1.274 771 F CB 0.182 38.759 39.000 -0.705 0.000 1.009 771 F HN -0.090 nan 8.300 nan 0.000 0.485 772 R N -0.459 119.819 120.500 -0.369 0.000 2.316 772 R HA -0.066 4.280 4.340 0.009 0.000 0.202 772 R C 1.303 177.321 176.300 -0.470 0.000 1.029 772 R CA 0.712 56.450 56.100 -0.605 0.000 1.018 772 R CB -0.322 29.610 30.300 -0.613 0.000 0.888 772 R HN 0.353 nan 8.270 nan 0.000 0.471 773 Q N 0.123 119.728 119.800 -0.325 0.000 2.319 773 Q HA 0.222 4.568 4.340 0.009 0.000 0.209 773 Q C 0.215 176.120 176.000 -0.158 0.000 0.884 773 Q CA 0.138 55.814 55.803 -0.212 0.000 0.938 773 Q CB 0.511 29.146 28.738 -0.171 0.000 1.098 773 Q HN 0.194 nan 8.270 nan 0.000 0.517 774 L N 1.114 122.212 121.223 -0.209 0.000 2.464 774 L HA 0.087 4.432 4.340 0.009 0.000 0.264 774 L C 0.745 177.573 176.870 -0.069 0.000 1.199 774 L CA -0.315 54.437 54.840 -0.146 0.000 0.818 774 L CB 0.324 42.258 42.059 -0.209 0.000 1.102 774 L HN 0.248 nan 8.230 nan 0.000 0.473 775 N N 0.812 119.495 118.700 -0.028 0.000 2.513 775 N HA -0.072 4.674 4.740 0.009 0.000 0.268 775 N C 0.941 176.468 175.510 0.028 0.000 1.180 775 N CA -0.093 52.980 53.050 0.037 0.000 0.948 775 N CB 0.797 39.292 38.487 0.013 0.000 1.083 775 N HN 0.611 nan 8.380 nan 0.000 0.455 776 Y N 3.575 123.840 120.300 -0.058 0.000 2.139 776 Y HA -0.213 4.343 4.550 0.009 0.000 0.282 776 Y C 1.934 177.788 175.900 -0.077 0.000 1.179 776 Y CA 1.020 59.080 58.100 -0.068 0.000 1.161 776 Y CB -0.301 38.133 38.460 -0.044 0.000 0.970 776 Y HN 0.486 nan 8.280 nan 0.000 0.511 777 I N 1.432 121.498 120.570 -0.840 0.000 2.264 777 I HA -0.305 3.871 4.170 0.009 0.000 0.248 777 I C 2.722 178.555 176.117 -0.474 0.000 1.111 777 I CA 1.826 62.630 61.300 -0.826 0.000 1.382 777 I CB -0.558 36.985 38.000 -0.762 0.000 1.060 777 I HN 0.552 nan 8.210 nan 0.000 0.418 778 S N 1.372 116.921 115.700 -0.252 0.000 2.423 778 S HA -0.101 4.375 4.470 0.009 0.000 0.231 778 S C 1.774 176.342 174.600 -0.053 0.000 1.014 778 S CA 0.895 59.030 58.200 -0.109 0.000 0.965 778 S CB -0.631 62.544 63.200 -0.042 0.000 0.785 778 S HN 0.672 nan 8.310 nan 0.000 0.495 779 I N -1.171 119.356 120.570 -0.072 0.000 3.956 779 I HA 0.549 4.725 4.170 0.009 0.000 0.333 779 I C 0.768 176.896 176.117 0.019 0.000 1.302 779 I CA -0.634 60.677 61.300 0.019 0.000 1.122 779 I CB -0.229 37.746 38.000 -0.042 0.000 1.013 779 I HN 0.231 nan 8.210 nan 0.000 0.405 780 A N 1.285 124.053 122.820 -0.087 0.000 2.371 780 A HA 0.578 4.903 4.320 0.009 0.000 0.257 780 A C 0.436 178.019 177.584 -0.001 0.000 1.089 780 A CA -0.106 51.890 52.037 -0.070 0.000 0.794 780 A CB 0.434 19.282 19.000 -0.253 0.000 1.029 780 A HN 0.373 nan 8.150 nan 0.000 0.488 781 S N -0.524 115.202 115.700 0.044 0.000 2.632 781 S HA 0.528 5.003 4.470 0.009 0.000 0.267 781 S C -0.022 174.596 174.600 0.029 0.000 1.276 781 S CA -0.449 57.781 58.200 0.050 0.000 0.998 781 S CB 1.059 64.300 63.200 0.069 0.000 0.953 781 S HN 0.604 nan 8.310 nan 0.000 0.547 782 V N 1.088 120.991 119.914 -0.018 0.000 2.864 782 V HA 0.862 4.987 4.120 0.009 0.000 0.314 782 V C -0.096 175.906 176.094 -0.154 0.000 1.073 782 V CA -0.497 61.735 62.300 -0.114 0.000 0.956 782 V CB 2.006 33.746 31.823 -0.138 0.000 1.023 782 V HN 0.815 nan 8.190 nan 0.000 0.435 783 S N 1.177 116.747 115.700 -0.217 0.000 2.567 783 S HA 0.569 5.045 4.470 0.009 0.000 0.270 783 S C -0.799 173.667 174.600 -0.223 0.000 1.152 783 S CA -0.455 57.584 58.200 -0.269 0.000 0.835 783 S CB 2.086 65.017 63.200 -0.449 0.000 1.115 783 S HN 0.738 nan 8.310 nan 0.000 0.459 784 S N 1.629 117.212 115.700 -0.195 0.000 2.601 784 S HA 0.625 5.101 4.470 0.009 0.000 0.271 784 S C 0.166 174.778 174.600 0.019 0.000 1.305 784 S CA -0.167 57.975 58.200 -0.096 0.000 1.022 784 S CB 1.325 64.483 63.200 -0.069 0.000 0.940 784 S HN 0.987 nan 8.310 nan 0.000 0.525 785 A N 3.028 125.858 122.820 0.018 0.000 3.249 785 A HA 0.345 4.671 4.320 0.009 0.000 0.297 785 A C -0.158 177.461 177.584 0.058 0.000 1.302 785 A CA -0.790 51.283 52.037 0.061 0.000 1.074 785 A CB -0.517 18.468 19.000 -0.024 0.000 1.132 785 A HN 0.642 nan 8.150 nan 0.000 0.575 786 N N 1.051 119.816 118.700 0.108 0.000 2.499 786 N HA 0.186 4.932 4.740 0.009 0.000 0.281 786 N C -0.091 175.495 175.510 0.126 0.000 1.098 786 N CA -0.019 53.087 53.050 0.094 0.000 0.979 786 N CB 0.529 39.073 38.487 0.095 0.000 1.121 786 N HN 0.544 nan 8.380 nan 0.000 0.466 787 N N 0.325 119.090 118.700 0.109 0.000 2.754 787 N HA -0.173 4.572 4.740 0.009 0.000 0.248 787 N C 0.772 176.393 175.510 0.185 0.000 1.093 787 N CA 0.073 53.197 53.050 0.124 0.000 0.699 787 N CB -1.182 37.385 38.487 0.132 0.000 1.016 787 N HN 0.573 nan 8.380 nan 0.000 0.552 788 I N -0.083 120.582 120.570 0.159 0.000 2.087 788 I HA -0.371 3.805 4.170 0.009 0.000 0.240 788 I C 2.626 178.871 176.117 0.212 0.000 1.054 788 I CA 1.914 63.317 61.300 0.172 0.000 1.311 788 I CB -0.487 37.587 38.000 0.124 0.000 1.024 788 I HN 0.509 nan 8.210 nan 0.000 0.402 789 A N 0.714 123.668 122.820 0.223 0.000 1.884 789 A HA -0.326 3.999 4.320 0.009 0.000 0.219 789 A C 2.416 180.010 177.584 0.018 0.000 1.197 789 A CA 2.332 54.436 52.037 0.112 0.000 0.637 789 A CB -0.779 18.212 19.000 -0.014 0.000 0.827 789 A HN 0.404 nan 8.150 nan 0.000 0.450 790 K N -1.565 118.797 120.400 -0.063 0.000 2.160 790 K HA -0.198 4.127 4.320 0.009 0.000 0.206 790 K C 1.133 177.550 176.600 -0.304 0.000 1.047 790 K CA 1.951 58.086 56.287 -0.254 0.000 0.930 790 K CB -0.243 31.985 32.500 -0.453 0.000 0.720 790 K HN 0.699 nan 8.250 nan 0.000 0.450 791 Y N -0.324 119.989 120.300 0.022 0.000 2.467 791 Y HA 0.028 4.584 4.550 0.009 0.000 0.250 791 Y C 1.780 177.702 175.900 0.035 0.000 1.155 791 Y CA -0.320 57.792 58.100 0.020 0.000 1.249 791 Y CB 0.348 38.806 38.460 -0.002 0.000 1.146 791 Y HN 0.091 nan 8.280 nan 0.000 0.524 792 D N 0.682 121.178 120.400 0.159 0.000 2.095 792 D HA -0.168 4.478 4.640 0.009 0.000 0.192 792 D C 0.879 177.254 176.300 0.125 0.000 0.990 792 D CA 1.720 55.802 54.000 0.137 0.000 0.836 792 D CB -0.030 40.851 40.800 0.135 0.000 0.979 792 D HN -0.050 nan 8.370 nan 0.000 0.447 793 V N 0.157 120.128 119.914 0.095 0.000 5.889 793 V HA -0.173 3.953 4.120 0.009 0.000 0.209 793 V C 1.141 177.317 176.094 0.136 0.000 0.681 793 V CA 1.114 63.471 62.300 0.094 0.000 0.547 793 V CB -2.078 29.799 31.823 0.091 0.000 0.309 793 V HN 0.639 nan 8.190 nan 0.000 0.471 794 G N 0.597 109.473 108.800 0.128 0.000 2.136 794 G HA2 0.170 4.136 3.960 0.009 0.000 0.242 794 G HA3 0.170 4.136 3.960 0.009 0.000 0.242 794 G C 1.517 176.549 174.900 0.221 0.000 0.989 794 G CA 0.599 45.802 45.100 0.173 0.000 0.682 794 G HN 2.634 nan 8.290 nan 0.000 0.522 795 G N -2.119 106.750 108.800 0.114 0.000 2.148 795 G HA2 -0.151 3.815 3.960 0.009 0.000 0.254 795 G HA3 -0.151 3.815 3.960 0.009 0.000 0.254 795 G C 0.194 174.936 174.900 -0.264 0.000 0.981 795 G CA 0.755 45.824 45.100 -0.052 0.000 0.670 795 G HN 1.374 nan 8.290 nan 0.000 0.528 796 F N 0.803 120.780 119.950 0.044 0.000 2.563 796 F HA 0.557 5.090 4.527 0.009 0.000 0.316 796 F C -1.945 173.880 175.800 0.042 0.000 1.076 796 F CA -2.558 55.463 58.000 0.035 0.000 0.921 796 F CB 2.091 41.108 39.000 0.029 0.000 1.209 796 F HN -0.219 nan 8.300 nan 0.000 0.462 797 P HA -0.016 nan 4.420 nan 0.000 0.255 797 P C 0.184 177.573 177.300 0.147 0.000 1.161 797 P CA 0.377 63.553 63.100 0.128 0.000 0.768 797 P CB 0.010 31.763 31.700 0.087 0.000 0.746 798 G N 5.215 114.116 108.800 0.168 0.000 2.489 798 G HA2 0.386 4.352 3.960 0.009 0.000 0.271 798 G HA3 0.386 4.352 3.960 0.009 0.000 0.271 798 G C -2.434 172.570 174.900 0.173 0.000 1.427 798 G CA -0.975 44.231 45.100 0.176 0.000 1.057 798 G HN 0.320 nan 8.290 nan 0.000 0.532 799 P HA 0.265 nan 4.420 nan 0.000 0.280 799 P C -0.183 177.236 177.300 0.198 0.000 1.244 799 P CA -0.389 62.800 63.100 0.148 0.000 0.784 799 P CB 1.276 33.043 31.700 0.112 0.000 0.913 800 K N 0.701 121.168 120.400 0.112 0.000 3.088 800 K HA -0.227 4.099 4.320 0.009 0.000 0.273 800 K C -0.321 176.233 176.600 -0.076 0.000 1.111 800 K CA 0.146 56.475 56.287 0.070 0.000 0.803 800 K CB -1.657 30.917 32.500 0.123 0.000 1.226 800 K HN 0.581 nan 8.250 nan 0.000 0.485 801 C N 1.751 120.978 119.300 -0.122 0.000 2.590 801 C HA 0.180 4.646 4.460 0.009 0.000 0.411 801 C C -1.696 173.067 174.990 -0.379 0.000 1.420 801 C CA -1.400 57.361 59.018 -0.429 0.000 1.643 801 C CB -0.443 27.201 27.740 -0.159 0.000 2.528 801 C HN 0.371 nan 8.230 nan 0.000 0.606 802 P HA 0.065 nan 4.420 nan 0.000 0.269 802 P C 0.529 177.737 177.300 -0.153 0.000 1.215 802 P CA -0.063 62.866 63.100 -0.285 0.000 0.780 802 P CB 0.240 31.702 31.700 -0.396 0.000 0.898 803 F N 2.813 122.723 119.950 -0.066 0.000 2.091 803 F HA -0.292 4.241 4.527 0.009 0.000 0.299 803 F C 2.453 178.251 175.800 -0.003 0.000 1.103 803 F CA 2.075 60.071 58.000 -0.007 0.000 1.228 803 F CB -0.503 38.527 39.000 0.049 0.000 0.984 803 F HN 0.485 nan 8.300 nan 0.000 0.477 804 H N -0.458 118.596 119.070 -0.028 0.000 2.357 804 H HA -0.106 4.456 4.556 0.010 0.000 0.301 804 H C 2.281 177.516 175.328 -0.155 0.000 1.082 804 H CA 1.705 57.679 56.048 -0.124 0.000 1.342 804 H CB -1.222 28.514 29.762 -0.043 0.000 1.389 804 H HN 0.247 nan 8.280 nan 0.000 0.511 805 I N 1.602 121.792 120.570 -0.634 0.000 2.286 805 I HA -0.207 3.969 4.170 0.009 0.000 0.248 805 I C 2.867 178.841 176.117 -0.237 0.000 1.115 805 I CA 0.987 62.041 61.300 -0.410 0.000 1.392 805 I CB -1.022 36.705 38.000 -0.454 0.000 1.065 805 I HN 0.246 nan 8.210 nan 0.000 0.418 806 R N 1.114 121.460 120.500 -0.258 0.000 2.083 806 R HA -0.166 4.180 4.340 0.009 0.000 0.237 806 R C 2.380 178.564 176.300 -0.193 0.000 1.137 806 R CA 1.878 57.863 56.100 -0.192 0.000 0.951 806 R CB -0.545 29.631 30.300 -0.207 0.000 0.851 806 R HN 0.396 nan 8.270 nan 0.000 0.434 807 G N 0.743 109.381 108.800 -0.269 0.000 2.432 807 G HA2 -0.203 3.762 3.960 0.009 0.000 0.219 807 G HA3 -0.203 3.762 3.960 0.009 0.000 0.219 807 G C 1.457 176.307 174.900 -0.083 0.000 1.135 807 G CA 0.759 45.732 45.100 -0.212 0.000 0.767 807 G HN 0.296 nan 8.290 nan 0.000 0.550 808 I N 0.280 120.805 120.570 -0.076 0.000 2.252 808 I HA -0.083 4.093 4.170 0.009 0.000 0.245 808 I C 2.657 178.798 176.117 0.041 0.000 1.102 808 I CA 0.504 61.803 61.300 -0.003 0.000 1.385 808 I CB -0.201 37.773 38.000 -0.045 0.000 1.064 808 I HN 0.105 nan 8.210 nan 0.000 0.414 809 L N 0.491 121.697 121.223 -0.027 0.000 2.043 809 L HA -0.252 4.093 4.340 0.009 0.000 0.212 809 L C 2.865 179.691 176.870 -0.073 0.000 1.075 809 L CA 2.172 56.982 54.840 -0.050 0.000 0.752 809 L CB -1.179 40.844 42.059 -0.061 0.000 0.891 809 L HN 0.478 nan 8.230 nan 0.000 0.432 810 T N -3.290 111.234 114.554 -0.049 0.000 2.821 810 T HA -0.263 4.093 4.350 0.009 0.000 0.267 810 T C 1.778 176.497 174.700 0.031 0.000 1.046 810 T CA 1.053 63.135 62.100 -0.030 0.000 1.139 810 T CB -0.614 68.236 68.868 -0.030 0.000 0.871 810 T HN 0.334 nan 8.240 nan 0.000 0.454 811 Y N 3.478 123.735 120.300 -0.073 0.000 2.036 811 Y HA -0.193 4.362 4.550 0.010 0.000 0.273 811 Y C 2.293 178.182 175.900 -0.020 0.000 1.135 811 Y CA 2.079 60.159 58.100 -0.034 0.000 1.106 811 Y CB -0.910 37.547 38.460 -0.005 0.000 0.976 811 Y HN 0.133 nan 8.280 nan 0.000 0.483 812 N N 0.469 119.152 118.700 -0.029 0.000 2.096 812 N HA -0.254 4.492 4.740 0.009 0.000 0.195 812 N C 2.015 177.429 175.510 -0.160 0.000 1.017 812 N CA 1.908 54.881 53.050 -0.128 0.000 0.870 812 N CB -0.587 37.880 38.487 -0.035 0.000 1.024 812 N HN 0.404 nan 8.380 nan 0.000 0.434 813 R N 0.244 120.658 120.500 -0.143 0.000 2.092 813 R HA 0.068 4.413 4.340 0.009 0.000 0.231 813 R C 1.818 178.052 176.300 -0.110 0.000 1.119 813 R CA 1.278 57.284 56.100 -0.158 0.000 0.970 813 R CB -0.144 30.009 30.300 -0.244 0.000 0.864 813 R HN 0.244 nan 8.270 nan 0.000 0.440 814 A N 0.447 123.219 122.820 -0.080 0.000 2.169 814 A HA 0.021 4.346 4.320 0.009 0.000 0.212 814 A C 1.655 179.167 177.584 -0.119 0.000 1.153 814 A CA 0.644 52.668 52.037 -0.022 0.000 0.756 814 A CB -0.224 18.904 19.000 0.213 0.000 0.813 814 A HN 0.505 nan 8.150 nan 0.000 0.471 815 I N -4.273 116.149 120.570 -0.248 0.000 3.974 815 I HA 0.341 4.517 4.170 0.009 0.000 0.334 815 I C 0.384 176.406 176.117 -0.157 0.000 1.437 815 I CA -0.504 60.642 61.300 -0.256 0.000 1.113 815 I CB 0.059 37.777 38.000 -0.469 0.000 1.063 815 I HN -0.113 nan 8.210 nan 0.000 0.400 816 K N 2.083 122.412 120.400 -0.119 0.000 2.485 816 K HA 0.308 4.633 4.320 0.009 0.000 0.277 816 K C 1.268 177.839 176.600 -0.047 0.000 0.990 816 K CA 1.599 57.843 56.287 -0.071 0.000 0.994 816 K CB 0.315 32.781 32.500 -0.057 0.000 0.906 816 K HN 0.544 nan 8.250 nan 0.000 0.488 817 G N 3.341 112.125 108.800 -0.025 0.000 4.677 817 G HA2 -0.360 3.606 3.960 0.009 0.000 0.215 817 G HA3 -0.360 3.606 3.960 0.009 0.000 0.215 817 G C -0.079 174.818 174.900 -0.005 0.000 1.506 817 G CA 0.202 45.295 45.100 -0.011 0.000 1.016 817 G HN 0.862 nan 8.290 nan 0.000 0.653 818 N N 2.076 120.768 118.700 -0.013 0.000 2.671 818 N HA 0.443 5.189 4.740 0.009 0.000 0.274 818 N C 0.348 175.860 175.510 0.003 0.000 1.188 818 N CA -0.311 52.737 53.050 -0.003 0.000 1.065 818 N CB -0.304 38.179 38.487 -0.007 0.000 1.415 818 N HN 0.634 nan 8.380 nan 0.000 0.511 819 I N 1.215 121.796 120.570 0.018 0.000 2.705 819 I HA 0.053 4.229 4.170 0.009 0.000 0.291 819 I C 0.389 176.530 176.117 0.041 0.000 1.146 819 I CA 0.304 61.624 61.300 0.035 0.000 1.383 819 I CB -0.091 37.941 38.000 0.052 0.000 1.454 819 I HN 0.664 nan 8.210 nan 0.000 0.581 820 D N 3.796 124.221 120.400 0.041 0.000 1.367 820 D HA 0.038 4.684 4.640 0.009 0.000 0.758 820 D C 0.462 176.795 176.300 0.055 0.000 0.713 820 D CA 0.271 54.295 54.000 0.040 0.000 1.249 820 D CB -0.177 40.639 40.800 0.026 0.000 1.531 820 D HN 0.424 nan 8.370 nan 0.000 0.449 821 A N 2.049 124.896 122.820 0.046 0.000 2.462 821 A HA 0.534 4.860 4.320 0.009 0.000 0.243 821 A C -2.196 175.460 177.584 0.120 0.000 1.076 821 A CA -0.564 51.518 52.037 0.075 0.000 0.773 821 A CB -0.120 18.891 19.000 0.018 0.000 1.010 821 A HN 0.191 nan 8.150 nan 0.000 0.493 822 P HA 0.092 nan 4.420 nan 0.000 0.268 822 P C -0.884 176.545 177.300 0.214 0.000 1.204 822 P CA 0.038 63.240 63.100 0.170 0.000 0.768 822 P CB 0.586 32.381 31.700 0.159 0.000 0.842 823 Q N 1.564 121.436 119.800 0.119 0.000 2.261 823 Q HA 0.240 4.586 4.340 0.009 0.000 0.252 823 Q C -0.065 175.946 176.000 0.018 0.000 0.915 823 Q CA -0.837 55.023 55.803 0.095 0.000 0.915 823 Q CB 1.094 29.838 28.738 0.009 0.000 1.204 823 Q HN 0.251 nan 8.270 nan 0.000 0.421 824 V N 3.311 123.239 119.914 0.022 0.000 2.458 824 V HA -0.033 4.093 4.120 0.009 0.000 0.287 824 V C 0.382 176.388 176.094 -0.145 0.000 1.009 824 V CA 0.065 62.306 62.300 -0.098 0.000 1.091 824 V CB 0.197 31.952 31.823 -0.113 0.000 0.960 824 V HN 0.445 nan 8.190 nan 0.000 0.476 825 V N 5.413 125.235 119.914 -0.154 0.000 2.555 825 V HA 0.113 4.239 4.120 0.009 0.000 0.286 825 V C 0.739 176.758 176.094 -0.124 0.000 1.044 825 V CA -0.370 61.836 62.300 -0.157 0.000 1.026 825 V CB 1.080 32.791 31.823 -0.187 0.000 0.981 825 V HN 0.817 nan 8.190 nan 0.000 0.480 826 E N 3.192 123.337 120.200 -0.091 0.000 2.415 826 E HA 0.224 4.579 4.350 0.009 0.000 0.260 826 E C 1.190 177.762 176.600 -0.047 0.000 1.016 826 E CA 1.136 57.512 56.400 -0.040 0.000 0.924 826 E CB 0.783 30.503 29.700 0.035 0.000 0.961 826 E HN 1.031 nan 8.360 nan 0.000 0.459 827 G N 4.102 112.878 108.800 -0.040 0.000 2.175 827 G HA2 -0.210 3.756 3.960 0.009 0.000 0.244 827 G HA3 -0.210 3.756 3.960 0.009 0.000 0.244 827 G C 0.365 175.215 174.900 -0.084 0.000 0.982 827 G CA 0.218 45.287 45.100 -0.052 0.000 0.641 827 G HN 0.506 nan 8.290 nan 0.000 0.527 828 E N 0.408 120.548 120.200 -0.100 0.000 2.280 828 E HA 0.451 4.806 4.350 0.009 0.000 0.261 828 E C 0.414 176.932 176.600 -0.137 0.000 1.088 828 E CA -0.499 55.827 56.400 -0.123 0.000 0.915 828 E CB 0.617 30.232 29.700 -0.142 0.000 1.141 828 E HN 0.260 nan 8.360 nan 0.000 0.433 829 K N 0.657 120.959 120.400 -0.163 0.000 2.144 829 K HA 0.354 4.680 4.320 0.009 0.000 0.270 829 K C -0.119 176.268 176.600 -0.354 0.000 1.005 829 K CA -0.462 55.686 56.287 -0.232 0.000 0.932 829 K CB 1.150 33.505 32.500 -0.241 0.000 1.021 829 K HN 0.303 nan 8.250 nan 0.000 0.462 830 V N -0.590 119.090 119.914 -0.390 0.000 2.876 830 V HA 0.412 4.537 4.120 0.009 0.000 0.312 830 V C -0.986 174.741 176.094 -0.612 0.000 1.085 830 V CA -1.270 60.718 62.300 -0.519 0.000 0.945 830 V CB 0.960 32.575 31.823 -0.347 0.000 1.017 830 V HN 0.493 nan 8.190 nan 0.000 0.428 831 Y N 1.825 121.644 120.300 -0.802 0.000 2.336 831 Y HA 0.673 5.229 4.550 0.009 0.000 0.331 831 Y C 0.452 175.914 175.900 -0.730 0.000 1.211 831 Y CA -0.560 56.977 58.100 -0.937 0.000 1.346 831 Y CB 1.358 38.810 38.460 -1.679 0.000 1.271 831 Y HN 0.573 nan 8.280 nan 0.000 0.538 832 V N 4.742 124.543 119.914 -0.189 0.000 2.760 832 V HA 0.507 4.633 4.120 0.009 0.000 0.309 832 V C -0.636 175.522 176.094 0.106 0.000 1.077 832 V CA -1.084 61.202 62.300 -0.024 0.000 0.910 832 V CB 2.171 34.017 31.823 0.039 0.000 1.008 832 V HN 0.540 nan 8.190 nan 0.000 0.424 833 L N 5.750 127.080 121.223 0.178 0.000 2.408 833 L HA 0.600 4.946 4.340 0.009 0.000 0.268 833 L C -2.585 174.383 176.870 0.163 0.000 0.986 833 L CA -1.749 53.204 54.840 0.189 0.000 0.820 833 L CB 3.462 45.663 42.059 0.237 0.000 1.303 833 L HN 0.426 nan 8.230 nan 0.000 0.411 834 P HA 0.225 nan 4.420 nan 0.000 0.278 834 P C -1.226 176.169 177.300 0.159 0.000 1.238 834 P CA -0.477 62.765 63.100 0.237 0.000 0.794 834 P CB 1.377 33.224 31.700 0.245 0.000 0.955 835 L N 2.523 123.844 121.223 0.163 0.000 2.329 835 L HA 0.440 4.785 4.340 0.009 0.000 0.279 835 L C 0.851 177.848 176.870 0.213 0.000 1.014 835 L CA -0.685 54.262 54.840 0.179 0.000 0.814 835 L CB 0.808 42.952 42.059 0.143 0.000 1.257 835 L HN 0.391 nan 8.230 nan 0.000 0.424 836 R N 2.026 122.698 120.500 0.287 0.000 2.582 836 R HA 0.096 4.442 4.340 0.009 0.000 0.271 836 R C -0.063 176.423 176.300 0.309 0.000 1.078 836 R CA -0.422 55.858 56.100 0.301 0.000 1.127 836 R CB 0.573 31.077 30.300 0.341 0.000 1.038 836 R HN 0.704 nan 8.270 nan 0.000 0.500 837 E N 1.198 121.543 120.200 0.242 0.000 2.606 837 E HA -0.057 4.299 4.350 0.009 0.000 0.248 837 E C 0.028 176.755 176.600 0.212 0.000 1.005 837 E CA 1.209 57.721 56.400 0.188 0.000 0.946 837 E CB -0.040 29.750 29.700 0.151 0.000 0.928 837 E HN 0.836 nan 8.360 nan 0.000 0.494 838 G N 3.737 112.581 108.800 0.074 0.000 2.255 838 G HA2 -0.265 3.701 3.960 0.009 0.000 0.239 838 G HA3 -0.265 3.701 3.960 0.009 0.000 0.239 838 G C -0.335 174.301 174.900 -0.441 0.000 1.083 838 G CA 0.168 45.244 45.100 -0.040 0.000 0.826 838 G HN 0.757 nan 8.290 nan 0.000 0.493 839 N N -0.534 117.812 118.700 -0.589 0.000 2.476 839 N HA 0.776 5.522 4.740 0.009 0.000 0.276 839 N C -0.817 174.203 175.510 -0.817 0.000 1.204 839 N CA -1.580 50.702 53.050 -1.280 0.000 0.974 839 N CB 1.414 39.527 38.487 -0.623 0.000 1.204 839 N HN -0.003 nan 8.380 nan 0.000 0.543 840 P HA 0.036 nan 4.420 nan 0.000 0.241 840 P C 0.010 176.985 177.300 -0.542 0.000 1.191 840 P CA 0.699 63.419 63.100 -0.634 0.000 0.771 840 P CB -0.040 31.257 31.700 -0.672 0.000 0.929 841 F N 0.315 120.126 119.950 -0.232 0.000 2.743 841 F HA 0.304 4.836 4.527 0.009 0.000 0.297 841 F C 1.913 177.662 175.800 -0.085 0.000 1.131 841 F CA 0.870 58.796 58.000 -0.124 0.000 1.426 841 F CB -0.896 38.054 39.000 -0.084 0.000 1.116 841 F HN 0.024 nan 8.300 nan 0.000 0.583 842 G N 0.666 109.483 108.800 0.027 0.000 2.179 842 G HA2 -0.264 3.701 3.960 0.009 0.000 0.257 842 G HA3 -0.264 3.701 3.960 0.009 0.000 0.257 842 G C -0.282 174.668 174.900 0.083 0.000 1.010 842 G CA 0.595 45.717 45.100 0.035 0.000 0.736 842 G HN 0.376 nan 8.290 nan 0.000 0.513 843 D N -1.729 118.723 120.400 0.087 0.000 2.768 843 D HA 0.453 5.099 4.640 0.009 0.000 0.327 843 D C 0.956 177.299 176.300 0.071 0.000 1.302 843 D CA -0.233 53.814 54.000 0.078 0.000 0.897 843 D CB 0.549 41.387 40.800 0.063 0.000 1.420 843 D HN 0.113 nan 8.370 nan 0.000 0.494 844 K N -0.896 119.541 120.400 0.063 0.000 2.373 844 K HA 0.416 4.742 4.320 0.009 0.000 0.202 844 K C 0.159 176.813 176.600 0.091 0.000 1.025 844 K CA -0.247 56.104 56.287 0.107 0.000 1.115 844 K CB -0.224 32.374 32.500 0.163 0.000 0.858 844 K HN 0.459 nan 8.250 nan 0.000 0.525 845 C N -1.682 117.592 119.300 -0.044 0.000 3.292 845 C HA 0.711 5.177 4.460 0.009 0.000 0.338 845 C C -1.423 173.461 174.990 -0.178 0.000 1.323 845 C CA -1.338 57.600 59.018 -0.133 0.000 1.232 845 C CB 0.415 27.862 27.740 -0.488 0.000 1.517 845 C HN 0.391 nan 8.230 nan 0.000 0.470 846 I N 1.208 121.698 120.570 -0.134 0.000 2.802 846 I HA 0.761 4.937 4.170 0.009 0.000 0.298 846 I C -0.373 175.772 176.117 0.046 0.000 1.176 846 I CA -0.325 60.914 61.300 -0.102 0.000 1.025 846 I CB 2.121 39.967 38.000 -0.257 0.000 1.243 846 I HN 1.361 nan 8.210 nan 0.000 0.424 847 A N 5.283 128.138 122.820 0.057 0.000 2.469 847 A HA 0.910 5.236 4.320 0.009 0.000 0.299 847 A C -1.975 175.605 177.584 -0.007 0.000 1.098 847 A CA -0.460 51.594 52.037 0.029 0.000 0.737 847 A CB 1.337 20.275 19.000 -0.103 0.000 1.312 847 A HN 0.875 nan 8.150 nan 0.000 0.414 848 W N -0.322 120.759 121.300 -0.365 0.000 3.074 848 W HA 0.694 5.359 4.660 0.009 0.000 0.332 848 W C -3.446 172.846 176.519 -0.380 0.000 1.253 848 W CA -2.466 54.493 57.345 -0.643 0.000 1.180 848 W CB 0.305 29.456 29.460 -0.516 0.000 1.445 848 W HN 0.433 nan 8.180 nan 0.000 0.573 849 P HA 0.048 nan 4.420 nan 0.000 0.264 849 P C 0.318 177.336 177.300 -0.469 0.000 1.193 849 P CA 0.444 63.350 63.100 -0.322 0.000 0.763 849 P CB 0.875 32.491 31.700 -0.141 0.000 0.810 850 S N 2.396 117.683 115.700 -0.688 0.000 2.589 850 S HA 0.439 4.915 4.470 0.009 0.000 0.265 850 S C 1.411 175.712 174.600 -0.498 0.000 1.342 850 S CA 0.400 57.959 58.200 -1.069 0.000 1.005 850 S CB 0.044 62.526 63.200 -1.197 0.000 0.909 850 S HN 0.874 nan 8.310 nan 0.000 0.555 851 G N 0.790 109.372 108.800 -0.362 0.000 4.655 851 G HA2 -0.330 3.636 3.960 0.009 0.000 0.220 851 G HA3 -0.330 3.636 3.960 0.009 0.000 0.220 851 G C 0.542 175.551 174.900 0.182 0.000 1.403 851 G CA 0.824 45.907 45.100 -0.028 0.000 0.931 851 G HN 2.023 nan 8.290 nan 0.000 0.654 852 T N 1.338 115.989 114.554 0.163 0.000 2.906 852 T HA 0.461 4.817 4.350 0.009 0.000 0.320 852 T C 0.247 175.221 174.700 0.457 0.000 1.088 852 T CA 0.658 62.914 62.100 0.259 0.000 1.120 852 T CB 1.167 70.171 68.868 0.227 0.000 1.000 852 T HN 0.594 nan 8.240 nan 0.000 0.550 853 E N 1.363 121.759 120.200 0.328 0.000 2.349 853 E HA 0.281 4.637 4.350 0.009 0.000 0.265 853 E C 0.519 177.228 176.600 0.181 0.000 1.064 853 E CA -0.448 56.143 56.400 0.319 0.000 0.886 853 E CB 1.046 30.871 29.700 0.208 0.000 1.036 853 E HN 0.629 nan 8.360 nan 0.000 0.413 854 I N 0.721 121.193 120.570 -0.165 0.000 2.754 854 I HA -0.003 4.173 4.170 0.009 0.000 0.285 854 I C 1.042 177.121 176.117 -0.063 0.000 1.166 854 I CA -0.504 60.619 61.300 -0.295 0.000 1.417 854 I CB -0.162 37.444 38.000 -0.658 0.000 1.382 854 I HN 0.377 nan 8.210 nan 0.000 0.588 855 T N 0.130 114.704 114.554 0.032 0.000 2.940 855 T HA -0.016 4.339 4.350 0.009 0.000 0.309 855 T C 0.814 175.511 174.700 -0.004 0.000 1.056 855 T CA -0.529 61.594 62.100 0.037 0.000 1.137 855 T CB 0.762 69.669 68.868 0.065 0.000 0.976 855 T HN 0.559 nan 8.240 nan 0.000 0.547 856 D N 1.146 121.543 120.400 -0.006 0.000 2.311 856 D HA -0.093 4.553 4.640 0.009 0.000 0.212 856 D C 1.961 178.251 176.300 -0.016 0.000 0.972 856 D CA 0.766 54.752 54.000 -0.022 0.000 0.887 856 D CB -0.017 40.775 40.800 -0.014 0.000 0.915 856 D HN 0.597 nan 8.370 nan 0.000 0.497 857 L N 0.441 121.662 121.223 -0.004 0.000 2.129 857 L HA -0.166 4.180 4.340 0.009 0.000 0.212 857 L C 2.290 179.165 176.870 0.008 0.000 1.087 857 L CA 1.088 55.925 54.840 -0.004 0.000 0.757 857 L CB -0.386 41.668 42.059 -0.008 0.000 0.896 857 L HN 0.173 nan 8.230 nan 0.000 0.434 858 I N -6.301 114.284 120.570 0.024 0.000 4.442 858 I HA 0.126 4.302 4.170 0.009 0.000 0.331 858 I C 1.984 178.131 176.117 0.051 0.000 1.364 858 I CA -0.128 61.230 61.300 0.097 0.000 1.207 858 I CB 0.005 38.124 38.000 0.198 0.000 1.298 858 I HN -0.066 nan 8.210 nan 0.000 0.463 859 K N 2.037 122.404 120.400 -0.055 0.000 2.032 859 K HA -0.205 4.121 4.320 0.009 0.000 0.209 859 K C 1.145 177.663 176.600 -0.136 0.000 1.048 859 K CA 2.629 58.815 56.287 -0.168 0.000 0.927 859 K CB -0.010 32.378 32.500 -0.188 0.000 0.712 859 K HN 0.339 nan 8.250 nan 0.000 0.441 860 D N 0.554 120.919 120.400 -0.059 0.000 2.183 860 D HA -0.099 4.547 4.640 0.009 0.000 0.203 860 D C 1.359 177.696 176.300 0.063 0.000 0.969 860 D CA 0.941 54.920 54.000 -0.035 0.000 0.842 860 D CB 0.010 40.786 40.800 -0.040 0.000 0.957 860 D HN 0.244 nan 8.370 nan 0.000 0.484 861 D N -0.012 120.475 120.400 0.144 0.000 2.178 861 D HA -0.083 4.562 4.640 0.009 0.000 0.202 861 D C 2.106 178.705 176.300 0.497 0.000 0.974 861 D CA 0.322 54.521 54.000 0.332 0.000 0.841 861 D CB -0.053 40.882 40.800 0.224 0.000 0.953 861 D HN 0.080 nan 8.370 nan 0.000 0.478 862 V N 1.155 121.252 119.914 0.304 0.000 2.358 862 V HA -0.174 3.952 4.120 0.009 0.000 0.246 862 V C 2.532 178.671 176.094 0.076 0.000 1.047 862 V CA 1.071 63.451 62.300 0.133 0.000 1.035 862 V CB -0.217 31.520 31.823 -0.144 0.000 0.658 862 V HN 0.163 nan 8.190 nan 0.000 0.452 863 L N -1.047 120.166 121.223 -0.017 0.000 2.141 863 L HA -0.172 4.173 4.340 0.009 0.000 0.209 863 L C 2.501 179.420 176.870 0.082 0.000 1.094 863 L CA 1.704 56.520 54.840 -0.040 0.000 0.763 863 L CB -0.686 41.297 42.059 -0.126 0.000 0.908 863 L HN 0.492 nan 8.230 nan 0.000 0.437 864 H N -0.759 118.320 119.070 0.014 0.000 2.276 864 H HA -0.154 4.407 4.556 0.009 0.000 0.307 864 H C 1.196 176.467 175.328 -0.096 0.000 1.061 864 H CA 1.564 57.557 56.048 -0.092 0.000 1.336 864 H CB -0.053 29.590 29.762 -0.198 0.000 1.396 864 H HN 0.299 nan 8.280 nan 0.000 0.503 865 W N 1.484 122.904 121.300 0.200 0.000 3.392 865 W HA 0.122 4.788 4.660 0.009 0.000 0.277 865 W C 0.526 177.107 176.519 0.103 0.000 1.323 865 W CA -0.299 57.141 57.345 0.158 0.000 1.616 865 W CB -0.487 29.114 29.460 0.235 0.000 1.056 865 W HN 0.063 nan 8.180 nan 0.000 0.745 866 M N 1.344 121.053 119.600 0.183 0.000 2.219 866 M HA -0.043 4.443 4.480 0.009 0.000 0.353 866 M C 0.208 176.535 176.300 0.045 0.000 1.304 866 M CA 0.711 56.029 55.300 0.029 0.000 1.115 866 M CB 0.502 32.990 32.600 -0.186 0.000 1.664 866 M HN -0.192 nan 8.290 nan 0.000 0.459 867 D N 3.364 123.776 120.400 0.021 0.000 2.518 867 D HA 0.111 4.757 4.640 0.009 0.000 0.230 867 D C 0.292 176.647 176.300 0.092 0.000 1.138 867 D CA -0.042 54.024 54.000 0.109 0.000 0.964 867 D CB 0.127 41.017 40.800 0.149 0.000 1.011 867 D HN 0.440 nan 8.370 nan 0.000 0.517 868 Y N 0.760 121.149 120.300 0.148 0.000 2.181 868 Y HA -0.210 4.346 4.550 0.009 0.000 0.288 868 Y C 2.527 178.582 175.900 0.258 0.000 1.146 868 Y CA 1.265 59.519 58.100 0.256 0.000 1.164 868 Y CB -0.262 38.310 38.460 0.187 0.000 0.982 868 Y HN 0.253 nan 8.280 nan 0.000 0.515 869 T N -0.703 114.031 114.554 0.300 0.000 2.708 869 T HA -0.172 4.184 4.350 0.009 0.000 0.266 869 T C 2.069 176.842 174.700 0.122 0.000 1.037 869 T CA 1.646 63.849 62.100 0.171 0.000 1.146 869 T CB -0.694 68.252 68.868 0.131 0.000 0.865 869 T HN 0.114 nan 8.240 nan 0.000 0.435 870 V N 1.129 121.120 119.914 0.128 0.000 2.548 870 V HA -0.027 4.098 4.120 0.009 0.000 0.249 870 V C 2.433 178.582 176.094 0.093 0.000 1.055 870 V CA 1.070 63.426 62.300 0.094 0.000 1.065 870 V CB -0.568 31.315 31.823 0.101 0.000 0.681 870 V HN 0.414 nan 8.190 nan 0.000 0.462 871 L N -0.875 120.434 121.223 0.144 0.000 1.994 871 L HA -0.199 4.146 4.340 0.009 0.000 0.208 871 L C 2.479 179.418 176.870 0.115 0.000 1.071 871 L CA 1.671 56.620 54.840 0.182 0.000 0.745 871 L CB -0.451 41.787 42.059 0.297 0.000 0.892 871 L HN 0.344 nan 8.230 nan 0.000 0.431 872 L N 0.298 121.504 121.223 -0.028 0.000 1.989 872 L HA -0.266 4.080 4.340 0.009 0.000 0.211 872 L C 2.488 179.330 176.870 -0.046 0.000 1.071 872 L CA 2.088 56.719 54.840 -0.349 0.000 0.749 872 L CB -0.610 41.112 42.059 -0.560 0.000 0.890 872 L HN 0.245 nan 8.230 nan 0.000 0.431 873 E N 0.045 120.244 120.200 -0.002 0.000 2.033 873 E HA -0.264 4.092 4.350 0.009 0.000 0.199 873 E C 2.217 178.813 176.600 -0.006 0.000 1.011 873 E CA 2.087 58.497 56.400 0.016 0.000 0.815 873 E CB -0.216 29.499 29.700 0.025 0.000 0.755 873 E HN 0.502 nan 8.360 nan 0.000 0.451 874 K N -0.975 119.424 120.400 -0.002 0.000 2.007 874 K HA -0.058 4.268 4.320 0.009 0.000 0.206 874 K C 2.328 178.915 176.600 -0.021 0.000 1.047 874 K CA 1.805 58.074 56.287 -0.029 0.000 0.937 874 K CB -0.287 32.187 32.500 -0.044 0.000 0.718 874 K HN 0.406 nan 8.250 nan 0.000 0.438 875 T N -1.956 112.620 114.554 0.037 0.000 3.054 875 T HA -0.004 4.351 4.350 0.009 0.000 0.259 875 T C 1.472 176.231 174.700 0.099 0.000 1.092 875 T CA 0.330 62.471 62.100 0.068 0.000 1.121 875 T CB -0.010 68.935 68.868 0.127 0.000 0.912 875 T HN 0.148 nan 8.240 nan 0.000 0.489 876 F N 0.560 120.465 119.950 -0.076 0.000 2.522 876 F HA 0.473 5.006 4.527 0.009 0.000 0.275 876 F C 1.755 177.463 175.800 -0.153 0.000 0.890 876 F CA -0.453 57.492 58.000 -0.093 0.000 1.157 876 F CB -0.035 38.937 39.000 -0.047 0.000 1.117 876 F HN -0.055 nan 8.300 nan 0.000 0.787 877 I N 0.941 121.439 120.570 -0.120 0.000 2.163 877 I HA -0.289 3.887 4.170 0.009 0.000 0.243 877 I C 2.470 178.345 176.117 -0.403 0.000 1.085 877 I CA 1.221 62.349 61.300 -0.286 0.000 1.347 877 I CB -0.481 37.510 38.000 -0.015 0.000 1.044 877 I HN 0.120 nan 8.210 nan 0.000 0.408 878 K N 0.808 121.055 120.400 -0.255 0.000 2.001 878 K HA -0.178 4.147 4.320 0.009 0.000 0.214 878 K C -0.230 176.146 176.600 -0.373 0.000 1.050 878 K CA 2.067 58.209 56.287 -0.242 0.000 0.934 878 K CB -1.549 30.859 32.500 -0.154 0.000 0.718 878 K HN 0.206 nan 8.250 nan 0.000 0.443 879 P HA -0.116 nan 4.420 nan 0.000 0.217 879 P C 1.670 178.219 177.300 -1.252 0.000 1.150 879 P CA 0.835 63.502 63.100 -0.720 0.000 0.832 879 P CB 0.024 31.381 31.700 -0.570 0.000 0.787 880 L N -0.245 120.351 121.223 -1.045 0.000 2.046 880 L HA -0.210 4.136 4.340 0.009 0.000 0.208 880 L C 2.442 178.904 176.870 -0.679 0.000 1.077 880 L CA 1.895 56.156 54.840 -0.966 0.000 0.747 880 L CB -0.606 40.850 42.059 -1.005 0.000 0.896 880 L HN -0.027 nan 8.230 nan 0.000 0.432 881 E N 0.219 120.076 120.200 -0.572 0.000 2.070 881 E HA -0.198 4.157 4.350 0.009 0.000 0.197 881 E C 1.933 178.405 176.600 -0.213 0.000 1.004 881 E CA 1.754 58.001 56.400 -0.255 0.000 0.805 881 E CB -0.600 29.002 29.700 -0.163 0.000 0.744 881 E HN 0.462 nan 8.360 nan 0.000 0.451 882 G N -0.431 108.183 108.800 -0.310 0.000 2.476 882 G HA2 -0.265 3.701 3.960 0.009 0.000 0.218 882 G HA3 -0.265 3.701 3.960 0.009 0.000 0.218 882 G C 1.297 176.179 174.900 -0.030 0.000 1.164 882 G CA 1.145 46.140 45.100 -0.176 0.000 0.768 882 G HN 0.278 nan 8.290 nan 0.000 0.560 883 F N 1.901 121.753 119.950 -0.163 0.000 2.075 883 F HA -0.069 4.463 4.527 0.010 0.000 0.297 883 F C 3.191 178.693 175.800 -0.497 0.000 1.113 883 F CA 1.451 59.254 58.000 -0.328 0.000 1.218 883 F CB -1.537 37.288 39.000 -0.292 0.000 0.984 883 F HN 0.285 nan 8.300 nan 0.000 0.472 884 T N -2.854 111.623 114.554 -0.128 0.000 2.857 884 T HA -0.106 4.249 4.350 0.009 0.000 0.266 884 T C 2.137 176.772 174.700 -0.109 0.000 1.048 884 T CA 1.380 63.400 62.100 -0.132 0.000 1.139 884 T CB -0.816 68.050 68.868 -0.003 0.000 0.874 884 T HN 0.126 nan 8.240 nan 0.000 0.455 885 S N 2.238 117.895 115.700 -0.071 0.000 2.354 885 S HA 0.009 4.485 4.470 0.009 0.000 0.219 885 S C 2.693 177.267 174.600 -0.043 0.000 1.035 885 S CA 1.252 59.424 58.200 -0.047 0.000 1.037 885 S CB -1.120 62.063 63.200 -0.028 0.000 0.956 885 S HN 0.778 nan 8.310 nan 0.000 0.428 886 A N 1.444 124.250 122.820 -0.024 0.000 1.917 886 A HA -0.046 4.280 4.320 0.009 0.000 0.219 886 A C 2.228 179.801 177.584 -0.019 0.000 1.182 886 A CA 1.959 54.013 52.037 0.027 0.000 0.633 886 A CB -1.011 18.065 19.000 0.127 0.000 0.819 886 A HN 0.573 nan 8.150 nan 0.000 0.448 887 A N -2.101 120.624 122.820 -0.159 0.000 2.206 887 A HA 0.199 4.525 4.320 0.009 0.000 0.211 887 A C 0.952 178.478 177.584 -0.097 0.000 1.158 887 A CA 0.951 52.886 52.037 -0.170 0.000 0.761 887 A CB -0.167 18.593 19.000 -0.401 0.000 0.801 887 A HN 0.372 nan 8.150 nan 0.000 0.473 888 K N -1.373 118.979 120.400 -0.080 0.000 3.125 888 K HA -0.151 4.175 4.320 0.009 0.000 0.268 888 K C -0.569 175.994 176.600 -0.062 0.000 1.078 888 K CA 0.801 57.051 56.287 -0.060 0.000 0.775 888 K CB -2.342 30.128 32.500 -0.050 0.000 1.253 888 K HN 0.566 nan 8.250 nan 0.000 0.486 889 L N -0.313 120.865 121.223 -0.075 0.000 2.257 889 L HA 0.529 4.875 4.340 0.009 0.000 0.257 889 L C -0.152 176.669 176.870 -0.082 0.000 1.033 889 L CA -1.092 53.707 54.840 -0.068 0.000 0.835 889 L CB 1.686 43.707 42.059 -0.063 0.000 1.398 889 L HN -0.102 nan 8.230 nan 0.000 0.429 890 D N -0.831 119.509 120.400 -0.100 0.000 2.646 890 D HA 0.233 4.878 4.640 0.009 0.000 0.245 890 D C -0.288 175.894 176.300 -0.197 0.000 1.099 890 D CA -0.266 53.612 54.000 -0.203 0.000 0.849 890 D CB 1.872 42.530 40.800 -0.236 0.000 1.448 890 D HN 0.461 nan 8.370 nan 0.000 0.489 891 Y N -0.583 119.578 120.300 -0.233 0.000 2.517 891 Y HA 0.333 4.889 4.550 0.009 0.000 0.281 891 Y C 0.394 176.075 175.900 -0.366 0.000 1.125 891 Y CA -0.012 57.896 58.100 -0.321 0.000 1.283 891 Y CB 0.417 38.550 38.460 -0.545 0.000 1.042 891 Y HN 0.097 nan 8.280 nan 0.000 0.547 892 E N 1.703 121.483 120.200 -0.699 0.000 2.227 892 E HA 0.200 4.555 4.350 0.009 0.000 0.268 892 E C -0.901 175.565 176.600 -0.223 0.000 0.907 892 E CA -1.168 55.012 56.400 -0.367 0.000 0.786 892 E CB 1.815 31.259 29.700 -0.427 0.000 1.191 892 E HN 0.031 nan 8.360 nan 0.000 0.411 893 K N 3.111 123.462 120.400 -0.082 0.000 2.451 893 K HA -0.003 4.322 4.320 0.009 0.000 0.280 893 K C -0.352 176.208 176.600 -0.067 0.000 1.020 893 K CA 0.304 56.563 56.287 -0.047 0.000 1.008 893 K CB 0.402 32.906 32.500 0.006 0.000 0.917 893 K HN 0.403 nan 8.250 nan 0.000 0.478 894 K N 1.713 122.077 120.400 -0.060 0.000 2.098 894 K HA 0.328 4.654 4.320 0.009 0.000 0.257 894 K C -0.301 176.288 176.600 -0.018 0.000 0.999 894 K CA -0.771 55.482 56.287 -0.057 0.000 0.924 894 K CB 0.892 33.356 32.500 -0.060 0.000 1.028 894 K HN 0.447 nan 8.250 nan 0.000 0.466 895 A N 1.756 124.563 122.820 -0.022 0.000 2.541 895 A HA 0.003 4.329 4.320 0.009 0.000 0.293 895 A C 1.404 178.992 177.584 0.006 0.000 1.307 895 A CA -0.084 51.949 52.037 -0.008 0.000 0.978 895 A CB -0.422 18.564 19.000 -0.024 0.000 1.111 895 A HN 0.834 nan 8.150 nan 0.000 0.535 896 S N 2.645 118.377 115.700 0.052 0.000 2.441 896 S HA -0.229 4.247 4.470 0.009 0.000 0.242 896 S C 1.491 176.115 174.600 0.040 0.000 1.018 896 S CA 1.957 60.233 58.200 0.126 0.000 0.988 896 S CB -0.782 62.558 63.200 0.233 0.000 0.778 896 S HN 1.534 nan 8.310 nan 0.000 0.498 897 L N -2.780 118.412 121.223 -0.052 0.000 4.733 897 L HA -0.295 4.050 4.340 0.009 0.000 0.388 897 L C 1.088 177.820 176.870 -0.229 0.000 0.773 897 L CA 1.863 56.589 54.840 -0.190 0.000 2.353 897 L CB -1.518 40.357 42.059 -0.307 0.000 1.139 897 L HN 0.457 nan 8.230 nan 0.000 0.635 898 F N 0.604 120.587 119.950 0.055 0.000 2.558 898 F HA -0.037 4.496 4.527 0.010 0.000 0.298 898 F C 1.829 177.701 175.800 0.120 0.000 1.119 898 F CA 1.240 59.336 58.000 0.160 0.000 1.451 898 F CB -0.359 38.799 39.000 0.265 0.000 1.091 898 F HN 0.266 nan 8.300 nan 0.000 0.563 899 D N 0.034 120.551 120.400 0.195 0.000 2.280 899 D HA -0.249 4.397 4.640 0.009 0.000 0.206 899 D C 1.513 177.845 176.300 0.054 0.000 0.988 899 D CA 1.099 55.174 54.000 0.125 0.000 0.886 899 D CB -0.513 40.325 40.800 0.062 0.000 0.914 899 D HN 0.177 nan 8.370 nan 0.000 0.473 900 M N -0.208 119.344 119.600 -0.080 0.000 2.747 900 M HA 0.139 4.624 4.480 0.009 0.000 0.221 900 M C -0.427 175.726 176.300 -0.246 0.000 1.107 900 M CA 0.395 55.583 55.300 -0.187 0.000 1.031 900 M CB -0.475 31.959 32.600 -0.277 0.000 1.727 900 M HN -0.106 nan 8.290 nan 0.000 0.517 901 F N 0.000 119.989 119.950 0.065 0.000 2.286 901 F HA 0.000 4.533 4.527 0.010 0.000 0.279 901 F CA 0.000 58.034 58.000 0.057 0.000 1.383 901 F CB 0.000 39.045 39.000 0.076 0.000 1.145 901 F HN 0.000 nan 8.300 nan 0.000 0.574