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 2wb1_1_B DATA FIRST_RESID 8 DATA SEQUENCE LSIDERWKVI EAYFKSKGLV RQHLDSYNDF VRNKLQEIID EQGEIPTEIP DATA SEQUENCE GLKVRLGKIR IGKPRVRESD RGEREISPME ARLRNLTYAA PLWLTMIPVE DATA SEQUENCE NNIEAEPEEV YIGDLPIMLK SAIDPISQYT LDKLIEIGED PKDPGGYFIV DATA SEQUENCE NGSERVIVTQ EDLAPNRVLV DTGKTGSNIT HTAKIISSTA XXRVPVTIER DATA SEQUENCE LKDGTFHVSF PAVPGKIPFV ILMRALGILT DRDIVYAVSL DPEIQNELFP DATA SEQUENCE SLEQASSIAN VDDALDFIGS RVAIGQKREN RIEKAQQIID KYFLPHLGTS DATA SEQUENCE ADDRRKKAYY LAYAISKVIE LYLGRREPDD KDHYANKRLR LAGDLFASLF DATA SEQUENCE RVAFKAFVKD LTYQLEKSKV RGRKLALKAL VRPDIVTERI RHALATGNWV DATA SEQUENCE GGRTGVSQLL DRTNWLSMLS HLRRVISSLA RGQPNFEARD LHGTQWGRMC DATA SEQUENCE PFETPEGPNS GLVKNLALMA QIAVGINEKI VEKTLYEMGV VPVEEVIRRV DATA SEQUENCE TXXXXXXXXX XKWSKVILNG RLVGYYRDGE ELAKKIRERR RKGEISDEVN DATA SEQUENCE VGHIVTDFIN EVHVNCDSGR VRRPLIIVSN GNPLVTREDI EKLDSGSITF DATA SEQUENCE DDLVRQGKIE YLDAEEEENA YVALEPSDLT PEHTHLEIWS PAILGITASI DATA SEQUENCE IPYPEHNQSP RNTYQSAMAK QALGLYAANY QLRTDTRAHL LHYPQRPLVQ DATA SEQUENCE TRALDIIGYT NRPAGNNAIL AVISFTGYNM EDSIIMNRSS VERGMYRSTF DATA SEQUENCE FRLYSTEEVK YPGGQEDKIV MPEPGVRGYK GKEYYRLLED NGVVSPEVEV DATA SEQUENCE KGGDVLIGKV SPPXXXXXXX XXXXXXAKRD TSIVTRHGEM GIVDLVLITE DATA SEQUENCE TAEGNKLVKV RVRDLRIPSI GDKFASRHGQ KGVIGMLIPQ VDMPYTVKGV DATA SEQUENCE VPDVILNPHA LPSRMTLGQI MEGIAGKYAA LSGNIVDATP FYKTPIEQLQ DATA SEQUENCE NEILKYGYLP DATEVTYDGR TGQKIKSRIY FGVVYYQKLH HMVADKIHAR DATA SEQUENCE ARGPVQILTR QPTEGRAREG GLRFGEMERD CLIGFGTAML LKDRLLDNSD DATA SEQUENCE RTTIYVCDQC GYIGWYDKNK NKYVCPIHGD KSNLFPVTVS YAFKLLIQEL DATA SEQUENCE MSMIISPRLI LEDRV 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.882 176.870 0.019 0.000 1.165 8 L CA 0.000 54.843 54.840 0.005 0.000 0.813 8 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 9 S N -1.003 114.702 115.700 0.008 0.000 3.662 9 S HA -0.089 4.377 4.470 -0.007 0.000 0.787 9 S C 0.355 174.990 174.600 0.058 0.000 1.315 9 S CA 0.784 58.993 58.200 0.015 0.000 1.186 9 S CB -0.603 62.614 63.200 0.029 0.000 0.500 9 S HN 0.961 nan 8.310 nan 0.000 0.528 10 I N 1.793 122.401 120.570 0.063 0.000 2.512 10 I HA 0.113 4.279 4.170 -0.007 0.000 0.247 10 I C 2.127 178.395 176.117 0.251 0.000 1.094 10 I CA 0.809 62.208 61.300 0.164 0.000 1.427 10 I CB -0.511 37.559 38.000 0.116 0.000 1.149 10 I HN 0.686 nan 8.210 nan 0.000 0.438 11 D N 1.014 121.533 120.400 0.199 0.000 2.116 11 D HA -0.235 4.401 4.640 -0.007 0.000 0.193 11 D C 2.032 178.461 176.300 0.216 0.000 0.998 11 D CA 1.359 55.494 54.000 0.225 0.000 0.836 11 D CB -0.182 40.714 40.800 0.160 0.000 0.951 11 D HN 0.336 nan 8.370 nan 0.000 0.449 12 E N -0.017 120.270 120.200 0.145 0.000 2.049 12 E HA -0.242 4.104 4.350 -0.007 0.000 0.198 12 E C 2.144 178.808 176.600 0.107 0.000 1.007 12 E CA 1.345 57.805 56.400 0.101 0.000 0.809 12 E CB 0.039 29.781 29.700 0.070 0.000 0.749 12 E HN 0.296 nan 8.360 nan 0.000 0.450 13 R N 0.193 120.788 120.500 0.159 0.000 2.148 13 R HA -0.150 4.185 4.340 -0.007 0.000 0.227 13 R C 2.369 178.758 176.300 0.148 0.000 1.103 13 R CA 1.336 57.547 56.100 0.184 0.000 0.983 13 R CB -0.779 29.686 30.300 0.274 0.000 0.874 13 R HN 0.410 nan 8.270 nan 0.000 0.451 14 W N 2.244 123.537 121.300 -0.010 0.000 2.409 14 W HA -0.039 4.617 4.660 -0.007 0.000 0.299 14 W C 1.087 177.510 176.519 -0.159 0.000 1.203 14 W CA 1.081 58.281 57.345 -0.241 0.000 1.298 14 W CB -0.076 29.279 29.460 -0.176 0.000 1.127 14 W HN 0.061 nan 8.180 nan 0.000 0.528 15 K N 0.408 120.696 120.400 -0.187 0.000 2.113 15 K HA -0.209 4.106 4.320 -0.007 0.000 0.208 15 K C 1.850 178.284 176.600 -0.276 0.000 1.047 15 K CA 1.968 58.109 56.287 -0.242 0.000 0.928 15 K CB -0.486 31.997 32.500 -0.028 0.000 0.716 15 K HN 0.048 nan 8.250 nan 0.000 0.446 16 V N 1.897 121.705 119.914 -0.177 0.000 2.261 16 V HA -0.251 3.864 4.120 -0.007 0.000 0.246 16 V C 2.186 178.271 176.094 -0.015 0.000 1.047 16 V CA 1.818 64.083 62.300 -0.058 0.000 1.015 16 V CB -0.362 31.454 31.823 -0.012 0.000 0.642 16 V HN 0.391 nan 8.190 nan 0.000 0.446 17 I N -0.242 120.190 120.570 -0.230 0.000 2.567 17 I HA -0.248 3.918 4.170 -0.007 0.000 0.257 17 I C 2.358 178.240 176.117 -0.392 0.000 1.184 17 I CA 1.772 62.884 61.300 -0.314 0.000 1.451 17 I CB -0.082 37.670 38.000 -0.414 0.000 1.089 17 I HN 0.449 nan 8.210 nan 0.000 0.441 18 E N 0.655 120.456 120.200 -0.665 0.000 2.216 18 E HA -0.119 4.226 4.350 -0.007 0.000 0.192 18 E C 2.096 178.618 176.600 -0.130 0.000 0.988 18 E CA 0.838 56.951 56.400 -0.479 0.000 0.834 18 E CB 0.031 29.332 29.700 -0.665 0.000 0.772 18 E HN 0.651 nan 8.360 nan 0.000 0.479 19 A N -0.060 122.725 122.820 -0.058 0.000 2.016 19 A HA -0.122 4.193 4.320 -0.007 0.000 0.217 19 A C 1.807 179.421 177.584 0.050 0.000 1.162 19 A CA 0.592 52.668 52.037 0.066 0.000 0.662 19 A CB -0.536 18.552 19.000 0.146 0.000 0.812 19 A HN 0.487 nan 8.150 nan 0.000 0.450 20 Y N -0.044 120.095 120.300 -0.268 0.000 2.089 20 Y HA -0.136 4.410 4.550 -0.008 0.000 0.282 20 Y C 0.484 176.055 175.900 -0.548 0.000 1.139 20 Y CA 1.457 59.060 58.100 -0.828 0.000 1.123 20 Y CB -0.339 37.379 38.460 -1.237 0.000 0.980 20 Y HN 0.225 nan 8.280 nan 0.000 0.493 21 F N 2.298 122.223 119.950 -0.042 0.000 2.651 21 F HA 0.173 4.696 4.527 -0.007 0.000 0.367 21 F C 1.230 176.978 175.800 -0.087 0.000 1.225 21 F CA 0.731 58.697 58.000 -0.057 0.000 1.310 21 F CB -0.357 38.635 39.000 -0.014 0.000 1.724 21 F HN 0.155 nan 8.300 nan 0.000 0.662 22 K N -1.486 118.903 120.400 -0.018 0.000 2.623 22 K HA -0.088 4.228 4.320 -0.007 0.000 0.162 22 K C 1.746 178.307 176.600 -0.065 0.000 2.231 22 K CA 0.589 56.870 56.287 -0.009 0.000 1.364 22 K CB -0.396 32.108 32.500 0.008 0.000 2.500 22 K HN 0.145 nan 8.250 nan 0.000 0.525 23 S N 0.438 116.056 115.700 -0.136 0.000 2.317 23 S HA 0.096 4.562 4.470 -0.007 0.000 0.212 23 S C 1.367 175.827 174.600 -0.234 0.000 1.030 23 S CA 0.941 59.049 58.200 -0.153 0.000 0.970 23 S CB 0.134 63.258 63.200 -0.126 0.000 0.928 23 S HN 0.222 nan 8.310 nan 0.000 0.451 24 K N -0.318 119.810 120.400 -0.452 0.000 3.784 24 K HA 0.364 4.680 4.320 -0.007 0.000 0.226 24 K C 1.559 177.941 176.600 -0.364 0.000 1.180 24 K CA 0.617 56.636 56.287 -0.447 0.000 1.557 24 K CB -1.219 30.902 32.500 -0.631 0.000 2.225 24 K HN 0.465 nan 8.250 nan 0.000 0.479 25 G N 2.167 110.640 108.800 -0.544 0.000 2.596 25 G HA2 -0.343 3.613 3.960 -0.007 0.000 0.334 25 G HA3 -0.343 3.613 3.960 -0.007 0.000 0.334 25 G C 0.621 175.597 174.900 0.125 0.000 1.351 25 G CA 0.992 46.026 45.100 -0.110 0.000 0.965 25 G HN 0.491 nan 8.290 nan 0.000 0.533 26 L N -3.828 117.606 121.223 0.352 0.000 6.412 26 L HA -0.320 4.015 4.340 -0.007 0.000 0.053 26 L C 1.807 178.738 176.870 0.102 0.000 2.199 26 L CA 4.033 58.986 54.840 0.189 0.000 1.611 26 L CB -1.245 40.877 42.059 0.104 0.000 2.801 26 L HN 1.679 nan 8.230 nan 0.000 1.044 27 V N -1.638 118.293 119.914 0.029 0.000 3.398 27 V HA 0.232 4.347 4.120 -0.007 0.000 0.298 27 V C 0.933 176.996 176.094 -0.052 0.000 1.496 27 V CA 0.530 62.816 62.300 -0.023 0.000 1.044 27 V CB 0.051 31.846 31.823 -0.048 0.000 0.880 27 V HN 0.637 nan 8.190 nan 0.000 0.443 28 R N 1.290 121.770 120.500 -0.035 0.000 4.886 28 R HA 0.219 4.555 4.340 -0.007 0.000 0.181 28 R C 0.861 177.125 176.300 -0.060 0.000 1.989 28 R CA 0.066 56.141 56.100 -0.043 0.000 1.623 28 R CB -0.238 30.042 30.300 -0.033 0.000 1.383 28 R HN 0.388 nan 8.270 nan 0.000 0.847 29 Q N 0.177 119.913 119.800 -0.107 0.000 2.304 29 Q HA 0.006 4.342 4.340 -0.007 0.000 0.204 29 Q C 1.263 177.221 176.000 -0.071 0.000 0.936 29 Q CA 0.980 56.702 55.803 -0.134 0.000 0.878 29 Q CB 0.031 28.624 28.738 -0.242 0.000 0.983 29 Q HN 0.629 nan 8.270 nan 0.000 0.516 30 H N 0.752 119.815 119.070 -0.010 0.000 2.448 30 H HA 0.132 4.683 4.556 -0.007 0.000 0.292 30 H C 2.270 177.595 175.328 -0.005 0.000 1.035 30 H CA 0.475 56.516 56.048 -0.012 0.000 1.349 30 H CB 0.065 29.795 29.762 -0.053 0.000 1.425 30 H HN 0.073 nan 8.280 nan 0.000 0.539 31 L N 0.451 121.722 121.223 0.080 0.000 2.046 31 L HA -0.170 4.166 4.340 -0.007 0.000 0.208 31 L C 1.932 178.855 176.870 0.089 0.000 1.077 31 L CA 1.409 56.278 54.840 0.049 0.000 0.747 31 L CB -0.187 41.867 42.059 -0.008 0.000 0.896 31 L HN 0.086 nan 8.230 nan 0.000 0.432 32 D N -1.334 119.099 120.400 0.054 0.000 2.183 32 D HA -0.145 4.491 4.640 -0.007 0.000 0.203 32 D C 2.369 178.712 176.300 0.071 0.000 0.969 32 D CA 1.065 55.088 54.000 0.039 0.000 0.842 32 D CB 0.012 40.809 40.800 -0.004 0.000 0.957 32 D HN 0.060 nan 8.370 nan 0.000 0.484 33 S N -1.221 114.546 115.700 0.113 0.000 2.406 33 S HA -0.095 4.371 4.470 -0.007 0.000 0.224 33 S C 1.760 176.480 174.600 0.199 0.000 1.030 33 S CA 0.115 58.398 58.200 0.139 0.000 0.958 33 S CB -0.166 63.127 63.200 0.154 0.000 0.811 33 S HN 0.335 nan 8.310 nan 0.000 0.489 34 Y N 2.353 122.704 120.300 0.085 0.000 2.337 34 Y HA 0.044 4.590 4.550 -0.007 0.000 0.293 34 Y C 1.951 177.962 175.900 0.184 0.000 1.123 34 Y CA 1.325 59.499 58.100 0.123 0.000 1.201 34 Y CB -0.338 38.114 38.460 -0.013 0.000 1.011 34 Y HN 0.239 nan 8.280 nan 0.000 0.545 35 N N 0.800 119.588 118.700 0.147 0.000 2.025 35 N HA -0.229 4.507 4.740 -0.007 0.000 0.194 35 N C 1.677 177.171 175.510 -0.027 0.000 1.044 35 N CA 1.683 54.748 53.050 0.025 0.000 0.851 35 N CB -0.923 37.590 38.487 0.045 0.000 1.036 35 N HN 0.421 nan 8.380 nan 0.000 0.422 36 D N 0.066 120.480 120.400 0.023 0.000 2.191 36 D HA -0.205 4.431 4.640 -0.007 0.000 0.195 36 D C 1.836 178.139 176.300 0.005 0.000 1.003 36 D CA 0.788 54.796 54.000 0.014 0.000 0.867 36 D CB -0.223 40.605 40.800 0.047 0.000 0.926 36 D HN 0.290 nan 8.370 nan 0.000 0.450 37 F N 0.517 120.395 119.950 -0.121 0.000 2.084 37 F HA -0.111 4.412 4.527 -0.007 0.000 0.296 37 F C 2.152 177.810 175.800 -0.237 0.000 1.111 37 F CA 1.143 59.052 58.000 -0.152 0.000 1.224 37 F CB -0.665 38.267 39.000 -0.114 0.000 0.991 37 F HN -0.140 nan 8.300 nan 0.000 0.471 38 V N 1.248 120.773 119.914 -0.648 0.000 3.141 38 V HA -0.087 4.029 4.120 -0.007 0.000 0.265 38 V C 2.011 177.816 176.094 -0.483 0.000 1.126 38 V CA 1.349 63.176 62.300 -0.789 0.000 1.141 38 V CB -0.574 30.924 31.823 -0.541 0.000 0.743 38 V HN 0.375 nan 8.190 nan 0.000 0.492 39 R N -0.531 119.771 120.500 -0.329 0.000 1.864 39 R HA 0.172 4.507 4.340 -0.007 0.000 0.174 39 R C 2.032 178.204 176.300 -0.214 0.000 1.773 39 R CA 0.814 56.781 56.100 -0.222 0.000 1.381 39 R CB -0.778 29.441 30.300 -0.135 0.000 1.066 39 R HN 0.309 nan 8.270 nan 0.000 0.482 40 N N 1.248 119.858 118.700 -0.150 0.000 2.069 40 N HA -0.142 4.594 4.740 -0.007 0.000 0.191 40 N C 1.121 176.559 175.510 -0.120 0.000 1.031 40 N CA 1.343 54.329 53.050 -0.107 0.000 0.852 40 N CB -0.192 38.258 38.487 -0.061 0.000 1.018 40 N HN 0.027 nan 8.380 nan 0.000 0.423 41 K N -0.299 120.015 120.400 -0.142 0.000 3.029 41 K HA 0.177 4.493 4.320 -0.007 0.000 0.347 41 K C 1.143 177.573 176.600 -0.284 0.000 0.994 41 K CA -0.033 56.172 56.287 -0.136 0.000 1.278 41 K CB -0.376 32.110 32.500 -0.023 0.000 1.270 41 K HN -0.036 nan 8.250 nan 0.000 0.550 42 L N -0.325 120.679 121.223 -0.365 0.000 3.461 42 L HA -0.512 3.824 4.340 -0.007 0.000 0.054 42 L C 1.934 178.604 176.870 -0.333 0.000 4.408 42 L CA 2.925 57.439 54.840 -0.544 0.000 0.544 42 L CB -1.620 39.876 42.059 -0.938 0.000 3.531 42 L HN 0.810 nan 8.230 nan 0.000 0.724 43 Q N -0.236 119.393 119.800 -0.286 0.000 2.173 43 Q HA -0.254 4.082 4.340 -0.007 0.000 0.208 43 Q C 1.895 177.833 176.000 -0.102 0.000 0.989 43 Q CA 2.643 58.342 55.803 -0.173 0.000 0.872 43 Q CB -0.240 28.413 28.738 -0.143 0.000 0.909 43 Q HN 0.765 nan 8.270 nan 0.000 0.420 44 E N -0.554 119.592 120.200 -0.089 0.000 2.110 44 E HA -0.165 4.180 4.350 -0.007 0.000 0.193 44 E C 1.957 178.562 176.600 0.008 0.000 0.988 44 E CA 1.403 57.785 56.400 -0.031 0.000 0.804 44 E CB -0.206 29.482 29.700 -0.021 0.000 0.745 44 E HN 0.521 nan 8.360 nan 0.000 0.458 45 I N 0.995 121.571 120.570 0.011 0.000 2.252 45 I HA -0.230 3.935 4.170 -0.007 0.000 0.245 45 I C 2.190 178.371 176.117 0.106 0.000 1.102 45 I CA 0.608 61.963 61.300 0.093 0.000 1.385 45 I CB -0.290 37.818 38.000 0.179 0.000 1.064 45 I HN 0.109 nan 8.210 nan 0.000 0.414 46 I N 1.046 121.611 120.570 -0.007 0.000 2.530 46 I HA -0.203 3.962 4.170 -0.007 0.000 0.257 46 I C 0.237 176.427 176.117 0.121 0.000 1.179 46 I CA 1.269 62.562 61.300 -0.010 0.000 1.440 46 I CB -1.229 36.711 38.000 -0.100 0.000 1.087 46 I HN 0.205 nan 8.210 nan 0.000 0.440 47 D N 1.871 122.321 120.400 0.082 0.000 2.489 47 D HA 0.074 4.710 4.640 -0.007 0.000 0.237 47 D C 1.284 177.643 176.300 0.098 0.000 1.212 47 D CA 0.267 54.313 54.000 0.076 0.000 1.058 47 D CB 0.073 40.898 40.800 0.042 0.000 1.098 47 D HN 0.604 nan 8.370 nan 0.000 0.509 48 E N 0.273 120.544 120.200 0.119 0.000 2.641 48 E HA -0.006 4.339 4.350 -0.007 0.000 0.201 48 E C 0.958 177.605 176.600 0.079 0.000 0.921 48 E CA -0.320 56.139 56.400 0.098 0.000 1.551 48 E CB 0.180 29.951 29.700 0.117 0.000 1.640 48 E HN 0.064 nan 8.360 nan 0.000 0.906 49 Q N 0.276 120.135 119.800 0.098 0.000 1.920 49 Q HA -0.260 4.076 4.340 -0.007 0.000 0.239 49 Q C 0.999 177.033 176.000 0.058 0.000 2.739 49 Q CA 1.855 57.705 55.803 0.078 0.000 0.504 49 Q CB -2.102 26.669 28.738 0.055 0.000 0.891 49 Q HN 0.470 nan 8.270 nan 0.000 0.524 50 G N 0.200 109.021 108.800 0.035 0.000 2.732 50 G HA2 0.094 4.050 3.960 -0.007 0.000 0.244 50 G HA3 0.094 4.050 3.960 -0.007 0.000 0.244 50 G C 0.453 175.351 174.900 -0.003 0.000 1.226 50 G CA 0.329 45.438 45.100 0.016 0.000 0.860 50 G HN 0.410 nan 8.290 nan 0.000 0.583 51 E N -0.407 119.782 120.200 -0.019 0.000 2.434 51 E HA 0.080 4.425 4.350 -0.007 0.000 0.207 51 E C 1.416 177.993 176.600 -0.037 0.000 0.929 51 E CA 0.078 56.451 56.400 -0.046 0.000 1.001 51 E CB 0.327 29.991 29.700 -0.060 0.000 1.016 51 E HN 0.638 nan 8.360 nan 0.000 0.502 52 I N -0.006 120.551 120.570 -0.021 0.000 5.805 52 I HA -0.214 3.952 4.170 -0.007 0.000 0.126 52 I C -2.295 173.814 176.117 -0.014 0.000 1.817 52 I CA -0.117 61.174 61.300 -0.014 0.000 2.039 52 I CB -1.810 36.183 38.000 -0.012 0.000 3.393 52 I HN 0.001 nan 8.210 nan 0.000 0.170 53 P HA 0.184 nan 4.420 nan 0.000 0.269 53 P C 1.069 178.364 177.300 -0.008 0.000 1.263 53 P CA 0.220 63.312 63.100 -0.014 0.000 0.813 53 P CB 0.627 32.314 31.700 -0.021 0.000 0.868 54 T N 0.528 115.079 114.554 -0.004 0.000 3.025 54 T HA -0.117 4.229 4.350 -0.007 0.000 0.270 54 T C 0.727 175.425 174.700 -0.003 0.000 1.126 54 T CA 0.640 62.739 62.100 -0.002 0.000 1.105 54 T CB -0.384 68.484 68.868 0.001 0.000 0.884 54 T HN 0.424 nan 8.240 nan 0.000 0.522 55 E N 1.370 121.567 120.200 -0.005 0.000 2.415 55 E HA 0.116 4.461 4.350 -0.007 0.000 0.260 55 E C 0.141 176.737 176.600 -0.007 0.000 1.016 55 E CA -0.092 56.304 56.400 -0.007 0.000 0.924 55 E CB 0.057 29.750 29.700 -0.012 0.000 0.961 55 E HN 0.408 nan 8.360 nan 0.000 0.459 56 I N 5.161 125.727 120.570 -0.006 0.000 6.400 56 I HA -0.294 3.871 4.170 -0.007 0.000 0.126 56 I C -1.584 174.531 176.117 -0.003 0.000 1.494 56 I CA -0.497 60.801 61.300 -0.004 0.000 2.484 56 I CB -0.712 37.284 38.000 -0.005 0.000 2.837 56 I HN 0.517 nan 8.210 nan 0.000 0.286 57 P HA -0.273 nan 4.420 nan 0.000 0.230 57 P C 1.273 178.572 177.300 -0.001 0.000 1.150 57 P CA 2.305 65.404 63.100 -0.001 0.000 0.933 57 P CB -0.056 31.644 31.700 0.000 0.000 0.785 58 G N -0.121 108.678 108.800 -0.000 0.000 3.581 58 G HA2 0.303 4.258 3.960 -0.007 0.000 0.255 58 G HA3 0.303 4.258 3.960 -0.007 0.000 0.255 58 G C -0.257 174.643 174.900 -0.000 0.000 1.121 58 G CA -0.150 44.951 45.100 0.001 0.000 1.739 58 G HN 0.237 nan 8.290 nan 0.000 0.646 59 L N 0.669 121.891 121.223 -0.002 0.000 2.353 59 L HA 0.619 4.954 4.340 -0.007 0.000 0.270 59 L C -0.932 175.934 176.870 -0.006 0.000 1.003 59 L CA -0.316 54.521 54.840 -0.004 0.000 0.862 59 L CB 1.027 43.081 42.059 -0.008 0.000 1.221 59 L HN 0.096 nan 8.230 nan 0.000 0.430 60 K N 3.341 123.740 120.400 -0.002 0.000 2.433 60 K HA 0.744 5.060 4.320 -0.007 0.000 0.252 60 K C -1.416 175.186 176.600 0.004 0.000 1.015 60 K CA -0.920 55.366 56.287 -0.001 0.000 0.860 60 K CB 3.043 35.546 32.500 0.005 0.000 1.359 60 K HN 0.288 nan 8.250 nan 0.000 0.452 61 V N 2.000 121.918 119.914 0.006 0.000 2.483 61 V HA 0.373 4.489 4.120 -0.007 0.000 0.297 61 V C -0.303 175.812 176.094 0.034 0.000 1.027 61 V CA -0.904 61.408 62.300 0.019 0.000 0.855 61 V CB 1.488 33.319 31.823 0.014 0.000 0.995 61 V HN 0.621 nan 8.190 nan 0.000 0.424 62 R N 3.736 124.261 120.500 0.042 0.000 2.543 62 R HA 0.740 5.075 4.340 -0.007 0.000 0.268 62 R C -1.144 175.200 176.300 0.074 0.000 1.067 62 R CA -0.669 55.462 56.100 0.052 0.000 1.142 62 R CB 1.062 31.387 30.300 0.042 0.000 1.110 62 R HN 0.526 nan 8.270 nan 0.000 0.549 63 L N 0.786 122.059 121.223 0.084 0.000 2.372 63 L HA 0.376 4.712 4.340 -0.007 0.000 0.274 63 L C 0.784 177.698 176.870 0.073 0.000 0.988 63 L CA -0.654 54.248 54.840 0.103 0.000 0.833 63 L CB 1.866 44.017 42.059 0.153 0.000 1.236 63 L HN 0.782 nan 8.230 nan 0.000 0.410 64 G N 2.774 111.613 108.800 0.065 0.000 2.803 64 G HA2 0.270 4.225 3.960 -0.007 0.000 0.177 64 G HA3 0.270 4.225 3.960 -0.007 0.000 0.177 64 G C -0.228 174.690 174.900 0.031 0.000 1.629 64 G CA -0.434 44.692 45.100 0.044 0.000 1.077 64 G HN 0.486 nan 8.290 nan 0.000 0.556 65 K N -0.383 120.030 120.400 0.021 0.000 2.123 65 K HA 0.488 4.803 4.320 -0.007 0.000 0.259 65 K C -0.823 175.781 176.600 0.008 0.000 0.960 65 K CA -0.438 55.849 56.287 0.001 0.000 0.872 65 K CB 1.962 34.456 32.500 -0.009 0.000 1.079 65 K HN 0.269 nan 8.250 nan 0.000 0.440 66 I N 1.518 122.074 120.570 -0.024 0.000 2.677 66 I HA 0.386 4.552 4.170 -0.007 0.000 0.305 66 I C 0.071 176.182 176.117 -0.010 0.000 0.988 66 I CA -0.595 60.694 61.300 -0.019 0.000 1.260 66 I CB 0.823 38.768 38.000 -0.092 0.000 1.410 66 I HN 0.559 nan 8.210 nan 0.000 0.523 67 R N 3.500 124.028 120.500 0.048 0.000 2.673 67 R HA 0.807 5.143 4.340 -0.007 0.000 0.281 67 R C -1.805 174.555 176.300 0.101 0.000 0.991 67 R CA -0.839 55.297 56.100 0.059 0.000 0.896 67 R CB 1.260 31.610 30.300 0.083 0.000 1.201 67 R HN 0.409 nan 8.270 nan 0.000 0.457 68 I N 2.258 122.861 120.570 0.054 0.000 2.312 68 I HA 0.394 4.559 4.170 -0.007 0.000 0.290 68 I C 1.039 177.229 176.117 0.122 0.000 1.008 68 I CA -0.206 61.128 61.300 0.057 0.000 1.226 68 I CB 1.464 39.458 38.000 -0.010 0.000 1.371 68 I HN 0.887 nan 8.210 nan 0.000 0.468 69 G N 5.220 114.141 108.800 0.201 0.000 2.529 69 G HA2 0.280 4.235 3.960 -0.007 0.000 0.277 69 G HA3 0.280 4.235 3.960 -0.007 0.000 0.277 69 G C -0.152 174.821 174.900 0.121 0.000 1.383 69 G CA -0.648 44.589 45.100 0.229 0.000 1.050 69 G HN 0.556 nan 8.290 nan 0.000 0.526 70 K N 0.461 120.925 120.400 0.107 0.000 2.123 70 K HA 0.302 4.618 4.320 -0.007 0.000 0.259 70 K C -2.383 174.215 176.600 -0.003 0.000 0.960 70 K CA -1.637 54.679 56.287 0.049 0.000 0.872 70 K CB 1.785 34.319 32.500 0.057 0.000 1.079 70 K HN 0.045 nan 8.250 nan 0.000 0.440 71 P HA -0.127 nan 4.420 nan 0.000 0.191 71 P C -1.024 176.194 177.300 -0.137 0.000 0.942 71 P CA 0.836 63.761 63.100 -0.292 0.000 1.312 71 P CB 0.012 31.297 31.700 -0.691 0.000 1.452 72 R N 2.113 122.587 120.500 -0.043 0.000 2.402 72 R HA 0.239 4.575 4.340 -0.007 0.000 0.290 72 R C -0.310 176.011 176.300 0.034 0.000 1.321 72 R CA -0.811 55.303 56.100 0.022 0.000 1.283 72 R CB 1.056 31.406 30.300 0.083 0.000 1.111 72 R HN 0.161 nan 8.270 nan 0.000 0.578 73 V N 0.508 120.434 119.914 0.019 0.000 2.439 73 V HA 0.312 4.428 4.120 -0.007 0.000 0.271 73 V C 0.808 176.927 176.094 0.040 0.000 1.040 73 V CA -0.784 61.537 62.300 0.036 0.000 1.002 73 V CB 0.570 32.416 31.823 0.039 0.000 1.000 73 V HN 0.562 nan 8.190 nan 0.000 0.477 74 R N 2.891 123.416 120.500 0.040 0.000 2.758 74 R HA 0.119 4.455 4.340 -0.007 0.000 0.263 74 R C 0.166 176.483 176.300 0.029 0.000 1.010 74 R CA 0.428 56.544 56.100 0.027 0.000 1.114 74 R CB 0.410 30.716 30.300 0.009 0.000 0.985 74 R HN 0.913 nan 8.270 nan 0.000 0.439 75 E N 0.937 121.151 120.200 0.024 0.000 2.437 75 E HA 0.113 4.459 4.350 -0.007 0.000 0.238 75 E C -1.236 175.377 176.600 0.021 0.000 0.969 75 E CA -0.158 56.258 56.400 0.026 0.000 0.759 75 E CB 1.261 30.978 29.700 0.028 0.000 1.283 75 E HN 0.410 nan 8.360 nan 0.000 0.416 76 S N 2.585 118.297 115.700 0.021 0.000 2.525 76 S HA -0.015 4.450 4.470 -0.007 0.000 0.285 76 S C -0.251 174.360 174.600 0.019 0.000 1.283 76 S CA 0.021 58.232 58.200 0.018 0.000 1.072 76 S CB 0.355 63.567 63.200 0.019 0.000 0.867 76 S HN 0.488 nan 8.310 nan 0.000 0.492 77 D N 2.119 122.529 120.400 0.017 0.000 2.256 77 D HA 0.135 4.771 4.640 -0.007 0.000 0.250 77 D C 0.189 176.495 176.300 0.011 0.000 1.093 77 D CA -0.277 53.731 54.000 0.013 0.000 0.882 77 D CB 0.480 41.287 40.800 0.013 0.000 1.185 77 D HN 0.532 nan 8.370 nan 0.000 0.437 78 R N 1.250 121.755 120.500 0.007 0.000 3.387 78 R HA -0.199 4.137 4.340 -0.007 0.000 0.254 78 R C 0.234 176.539 176.300 0.008 0.000 1.006 78 R CA 0.587 56.690 56.100 0.004 0.000 0.677 78 R CB -1.487 28.815 30.300 0.005 0.000 1.063 78 R HN 0.492 nan 8.270 nan 0.000 0.453 79 G N 0.126 108.932 108.800 0.011 0.000 2.714 79 G HA2 0.645 4.601 3.960 -0.007 0.000 0.292 79 G HA3 0.645 4.601 3.960 -0.007 0.000 0.292 79 G C -1.142 173.770 174.900 0.020 0.000 1.308 79 G CA -0.654 44.456 45.100 0.016 0.000 0.964 79 G HN 0.181 nan 8.290 nan 0.000 0.484 80 E N -0.270 119.947 120.200 0.028 0.000 2.388 80 E HA 0.614 4.960 4.350 -0.007 0.000 0.289 80 E C -1.174 175.450 176.600 0.040 0.000 0.944 80 E CA -0.903 55.520 56.400 0.037 0.000 0.792 80 E CB 1.745 31.476 29.700 0.051 0.000 1.239 80 E HN 0.305 nan 8.360 nan 0.000 0.412 81 R N 1.557 122.081 120.500 0.040 0.000 2.673 81 R HA 0.396 4.731 4.340 -0.007 0.000 0.281 81 R C -0.726 175.598 176.300 0.040 0.000 0.991 81 R CA -0.799 55.325 56.100 0.040 0.000 0.896 81 R CB 1.740 32.062 30.300 0.038 0.000 1.201 81 R HN 0.735 nan 8.270 nan 0.000 0.457 82 E N 3.473 123.699 120.200 0.043 0.000 2.338 82 E HA 0.289 4.635 4.350 -0.007 0.000 0.272 82 E C 0.188 176.820 176.600 0.054 0.000 1.029 82 E CA -0.190 56.234 56.400 0.040 0.000 0.872 82 E CB 0.979 30.710 29.700 0.052 0.000 1.015 82 E HN 0.423 nan 8.360 nan 0.000 0.417 83 I N -1.220 119.380 120.570 0.051 0.000 2.545 83 I HA 0.396 4.562 4.170 -0.007 0.000 0.292 83 I C -0.038 176.196 176.117 0.196 0.000 1.040 83 I CA -1.020 60.340 61.300 0.100 0.000 1.068 83 I CB 2.111 40.169 38.000 0.097 0.000 1.251 83 I HN 0.315 nan 8.210 nan 0.000 0.424 84 S N 5.032 120.826 115.700 0.156 0.000 2.564 84 S HA 0.407 4.873 4.470 -0.007 0.000 0.278 84 S C -1.622 173.043 174.600 0.107 0.000 1.333 84 S CA -0.781 57.493 58.200 0.123 0.000 1.048 84 S CB 0.917 64.139 63.200 0.037 0.000 0.900 84 S HN 0.633 nan 8.310 nan 0.000 0.505 85 P HA -0.144 nan 4.420 nan 0.000 0.217 85 P C 1.604 178.840 177.300 -0.107 0.000 1.148 85 P CA 1.269 64.191 63.100 -0.296 0.000 0.834 85 P CB 0.022 31.422 31.700 -0.500 0.000 0.783 86 M N -0.794 118.766 119.600 -0.066 0.000 2.213 86 M HA -0.140 4.336 4.480 -0.007 0.000 0.263 86 M C 1.707 178.009 176.300 0.003 0.000 1.062 86 M CA 1.741 57.021 55.300 -0.033 0.000 1.105 86 M CB -1.392 31.186 32.600 -0.037 0.000 1.385 86 M HN 0.122 nan 8.290 nan 0.000 0.417 87 E N -0.266 119.952 120.200 0.030 0.000 2.285 87 E HA -0.008 4.338 4.350 -0.007 0.000 0.194 87 E C 1.993 178.636 176.600 0.071 0.000 0.997 87 E CA 0.852 57.282 56.400 0.050 0.000 0.845 87 E CB -0.105 29.633 29.700 0.063 0.000 0.782 87 E HN 0.464 nan 8.360 nan 0.000 0.491 88 A N 1.822 124.699 122.820 0.095 0.000 1.872 88 A HA -0.101 4.214 4.320 -0.007 0.000 0.214 88 A C 2.104 179.732 177.584 0.072 0.000 1.187 88 A CA 0.867 52.975 52.037 0.119 0.000 0.614 88 A CB -0.230 18.886 19.000 0.192 0.000 0.826 88 A HN 0.028 nan 8.150 nan 0.000 0.442 89 R N -0.572 119.953 120.500 0.042 0.000 2.152 89 R HA 0.000 4.336 4.340 -0.007 0.000 0.232 89 R C 1.830 178.145 176.300 0.024 0.000 1.117 89 R CA 1.168 57.285 56.100 0.029 0.000 0.981 89 R CB -0.339 29.969 30.300 0.012 0.000 0.870 89 R HN 0.506 nan 8.270 nan 0.000 0.451 90 L N -0.362 120.876 121.223 0.025 0.000 2.121 90 L HA 0.001 4.337 4.340 -0.007 0.000 0.200 90 L C 2.234 179.122 176.870 0.031 0.000 1.077 90 L CA 0.624 55.477 54.840 0.022 0.000 0.766 90 L CB -0.347 41.721 42.059 0.016 0.000 0.931 90 L HN 0.026 nan 8.230 nan 0.000 0.452 91 R N 0.793 121.316 120.500 0.039 0.000 2.341 91 R HA -0.091 4.244 4.340 -0.007 0.000 0.213 91 R C -0.116 176.212 176.300 0.045 0.000 1.082 91 R CA 0.358 56.483 56.100 0.043 0.000 1.017 91 R CB -0.548 29.781 30.300 0.049 0.000 0.860 91 R HN 0.398 nan 8.270 nan 0.000 0.473 92 N N -0.359 118.368 118.700 0.046 0.000 2.780 92 N HA -0.151 4.585 4.740 -0.007 0.000 0.247 92 N C -1.605 173.940 175.510 0.058 0.000 1.076 92 N CA 0.566 53.644 53.050 0.047 0.000 0.688 92 N CB -1.074 37.438 38.487 0.042 0.000 0.957 92 N HN 0.010 nan 8.380 nan 0.000 0.551 93 L N 0.127 121.392 121.223 0.070 0.000 2.346 93 L HA 0.504 4.839 4.340 -0.007 0.000 0.274 93 L C 0.512 177.447 176.870 0.108 0.000 1.007 93 L CA -0.323 54.567 54.840 0.084 0.000 0.818 93 L CB 1.756 43.868 42.059 0.087 0.000 1.284 93 L HN 0.053 nan 8.230 nan 0.000 0.424 94 T N 2.315 116.935 114.554 0.110 0.000 2.749 94 T HA 0.143 4.489 4.350 -0.007 0.000 0.295 94 T C -0.450 174.352 174.700 0.170 0.000 0.936 94 T CA 0.078 62.260 62.100 0.137 0.000 1.060 94 T CB -0.175 68.763 68.868 0.116 0.000 0.904 94 T HN 0.264 nan 8.240 nan 0.000 0.500 95 Y N 3.810 124.149 120.300 0.066 0.000 2.680 95 Y HA 0.415 4.961 4.550 -0.007 0.000 0.356 95 Y C 0.192 176.141 175.900 0.082 0.000 1.122 95 Y CA -0.350 57.783 58.100 0.055 0.000 1.509 95 Y CB -0.570 37.901 38.460 0.018 0.000 1.245 95 Y HN 0.799 nan 8.280 nan 0.000 0.513 96 A N 3.986 126.751 122.820 -0.092 0.000 2.587 96 A HA 0.937 5.253 4.320 -0.007 0.000 0.293 96 A C -1.636 175.905 177.584 -0.073 0.000 1.087 96 A CA -0.358 51.666 52.037 -0.022 0.000 0.692 96 A CB 0.971 20.017 19.000 0.075 0.000 1.291 96 A HN 0.923 nan 8.150 nan 0.000 0.407 97 A N 1.445 124.258 122.820 -0.012 0.000 2.401 97 A HA 0.936 5.251 4.320 -0.007 0.000 0.310 97 A C -2.998 174.592 177.584 0.011 0.000 1.075 97 A CA -1.873 50.168 52.037 0.006 0.000 0.746 97 A CB 1.210 20.218 19.000 0.012 0.000 1.277 97 A HN 0.561 nan 8.150 nan 0.000 0.425 98 P HA 0.278 nan 4.420 nan 0.000 0.270 98 P C -0.930 176.180 177.300 -0.316 0.000 1.223 98 P CA 0.087 63.098 63.100 -0.148 0.000 0.785 98 P CB 0.554 32.225 31.700 -0.049 0.000 0.923 99 L N 2.057 122.924 121.223 -0.595 0.000 2.276 99 L HA 0.347 4.683 4.340 -0.007 0.000 0.286 99 L C -0.389 176.160 176.870 -0.536 0.000 1.024 99 L CA -0.439 54.139 54.840 -0.437 0.000 0.826 99 L CB 0.430 42.284 42.059 -0.342 0.000 1.211 99 L HN 0.359 nan 8.230 nan 0.000 0.422 100 W N 5.704 126.987 121.300 -0.028 0.000 2.294 100 W HA 0.505 5.161 4.660 -0.007 0.000 0.314 100 W C -0.414 176.105 176.519 0.000 0.000 1.044 100 W CA -0.424 56.930 57.345 0.016 0.000 1.284 100 W CB 1.113 30.599 29.460 0.043 0.000 1.231 100 W HN 0.224 nan 8.180 nan 0.000 0.419 101 L N 4.328 125.668 121.223 0.195 0.000 2.325 101 L HA 0.541 4.877 4.340 -0.007 0.000 0.281 101 L C -0.336 176.635 176.870 0.169 0.000 1.004 101 L CA -0.337 54.584 54.840 0.136 0.000 0.823 101 L CB 1.773 43.885 42.059 0.088 0.000 1.236 101 L HN 0.257 nan 8.230 nan 0.000 0.415 102 T N 6.327 120.961 114.554 0.134 0.000 2.737 102 T HA 0.367 4.713 4.350 -0.007 0.000 0.296 102 T C 0.352 175.117 174.700 0.108 0.000 0.922 102 T CA -0.040 62.132 62.100 0.120 0.000 1.079 102 T CB 0.408 69.327 68.868 0.084 0.000 0.892 102 T HN 0.521 nan 8.240 nan 0.000 0.514 103 M N 3.597 123.267 119.600 0.117 0.000 2.409 103 M HA 0.504 4.980 4.480 -0.007 0.000 0.329 103 M C -0.391 175.955 176.300 0.075 0.000 1.180 103 M CA -0.808 54.554 55.300 0.103 0.000 1.053 103 M CB 1.221 33.891 32.600 0.116 0.000 1.586 103 M HN 0.348 nan 8.290 nan 0.000 0.461 104 I N 3.328 123.935 120.570 0.062 0.000 2.495 104 I HA 0.340 4.506 4.170 -0.007 0.000 0.277 104 I C -2.478 173.661 176.117 0.037 0.000 1.045 104 I CA -2.262 59.066 61.300 0.045 0.000 1.135 104 I CB 0.611 38.635 38.000 0.039 0.000 1.241 104 I HN 0.286 nan 8.210 nan 0.000 0.469 105 P HA 0.206 nan 4.420 nan 0.000 0.271 105 P C -0.410 176.900 177.300 0.018 0.000 1.220 105 P CA -0.007 63.107 63.100 0.023 0.000 0.768 105 P CB 1.594 33.308 31.700 0.022 0.000 0.848 106 V N 4.260 124.182 119.914 0.013 0.000 2.487 106 V HA 0.318 4.434 4.120 -0.007 0.000 0.298 106 V C 0.267 176.364 176.094 0.006 0.000 1.028 106 V CA -0.362 61.944 62.300 0.010 0.000 0.860 106 V CB 1.729 33.558 31.823 0.011 0.000 0.991 106 V HN 0.465 nan 8.190 nan 0.000 0.427 107 E N 4.823 125.026 120.200 0.005 0.000 2.873 107 E HA 0.393 4.739 4.350 -0.007 0.000 0.232 107 E C -0.065 176.537 176.600 0.003 0.000 1.123 107 E CA -0.382 56.020 56.400 0.003 0.000 0.809 107 E CB 0.546 30.247 29.700 0.001 0.000 1.366 107 E HN 0.779 nan 8.360 nan 0.000 0.400 108 N N 1.025 119.727 118.700 0.003 0.000 1.942 108 N HA -0.177 4.558 4.740 -0.007 0.000 0.211 108 N C 0.032 175.545 175.510 0.005 0.000 1.207 108 N CA 2.109 55.161 53.050 0.004 0.000 3.569 108 N CB -1.001 37.488 38.487 0.003 0.000 0.738 108 N HN 0.613 nan 8.380 nan 0.000 0.356 109 N N 1.255 119.959 118.700 0.006 0.000 2.825 109 N HA 0.523 5.259 4.740 -0.007 0.000 0.253 109 N C -0.849 174.666 175.510 0.008 0.000 1.426 109 N CA -0.688 52.366 53.050 0.007 0.000 0.851 109 N CB 0.943 39.434 38.487 0.006 0.000 1.470 109 N HN 0.327 nan 8.380 nan 0.000 0.517 110 I N -2.801 117.775 120.570 0.010 0.000 2.392 110 I HA 0.711 4.877 4.170 -0.007 0.000 0.295 110 I C -0.373 175.750 176.117 0.011 0.000 0.985 110 I CA -0.395 60.912 61.300 0.012 0.000 1.221 110 I CB 1.199 39.208 38.000 0.015 0.000 1.366 110 I HN 0.573 nan 8.210 nan 0.000 0.467 111 E N 4.141 124.347 120.200 0.011 0.000 7.478 111 E HA 0.080 4.426 4.350 -0.007 0.000 0.276 111 E C -0.097 176.512 176.600 0.016 0.000 0.815 111 E CA 0.735 57.142 56.400 0.013 0.000 1.620 111 E CB -0.268 29.440 29.700 0.013 0.000 0.902 111 E HN 1.507 nan 8.360 nan 0.000 0.262 112 A N 3.512 126.342 122.820 0.016 0.000 5.684 112 A HA -0.295 4.021 4.320 -0.007 0.000 0.306 112 A C 0.097 177.694 177.584 0.021 0.000 1.885 112 A CA 2.194 54.243 52.037 0.020 0.000 0.721 112 A CB -1.035 17.980 19.000 0.026 0.000 1.295 112 A HN 1.234 nan 8.150 nan 0.000 0.386 113 E N -2.461 117.756 120.200 0.027 0.000 8.064 113 E HA -0.102 4.244 4.350 -0.007 0.000 0.466 113 E C -2.653 173.960 176.600 0.020 0.000 0.773 113 E CA 0.715 57.131 56.400 0.028 0.000 1.348 113 E CB -0.890 28.824 29.700 0.024 0.000 0.986 113 E HN 0.848 nan 8.360 nan 0.000 0.265 114 P HA 0.211 nan 4.420 nan 0.000 0.283 114 P C -0.803 176.522 177.300 0.043 0.000 1.412 114 P CA -0.156 62.959 63.100 0.026 0.000 0.912 114 P CB 0.658 32.364 31.700 0.010 0.000 1.132 115 E N 2.180 122.416 120.200 0.060 0.000 1.852 115 E HA 0.049 4.394 4.350 -0.007 0.000 0.276 115 E C -0.426 176.249 176.600 0.125 0.000 1.163 115 E CA -0.090 56.362 56.400 0.087 0.000 1.117 115 E CB -0.448 29.302 29.700 0.084 0.000 1.124 115 E HN 0.343 nan 8.360 nan 0.000 0.458 116 E N 1.650 121.931 120.200 0.135 0.000 1.791 116 E HA 0.119 4.464 4.350 -0.007 0.000 0.263 116 E C -0.587 176.243 176.600 0.382 0.000 1.213 116 E CA -0.245 56.276 56.400 0.203 0.000 0.991 116 E CB 0.528 30.280 29.700 0.088 0.000 1.068 116 E HN 0.103 nan 8.360 nan 0.000 0.417 117 V N 3.314 123.435 119.914 0.344 0.000 2.465 117 V HA 0.041 4.157 4.120 -0.007 0.000 0.279 117 V C -0.153 176.123 176.094 0.304 0.000 1.045 117 V CA -0.805 61.698 62.300 0.339 0.000 0.938 117 V CB 0.149 32.123 31.823 0.251 0.000 0.986 117 V HN 0.549 nan 8.190 nan 0.000 0.467 118 Y N 5.062 125.389 120.300 0.044 0.000 2.465 118 Y HA 0.210 4.755 4.550 -0.007 0.000 0.331 118 Y C 0.966 176.744 175.900 -0.202 0.000 1.102 118 Y CA -0.088 57.776 58.100 -0.393 0.000 1.358 118 Y CB 0.600 38.774 38.460 -0.477 0.000 1.213 118 Y HN 0.525 nan 8.280 nan 0.000 0.525 119 I N 4.287 124.425 120.570 -0.719 0.000 3.039 119 I HA 0.335 4.500 4.170 -0.007 0.000 0.270 119 I C 1.217 176.807 176.117 -0.879 0.000 1.150 119 I CA 1.162 62.052 61.300 -0.684 0.000 1.448 119 I CB -0.556 37.119 38.000 -0.542 0.000 1.197 119 I HN 0.806 nan 8.210 nan 0.000 0.450 120 G N 0.738 108.861 108.800 -1.128 0.000 2.360 120 G HA2 0.181 4.137 3.960 -0.007 0.000 0.276 120 G HA3 0.181 4.137 3.960 -0.007 0.000 0.276 120 G C -2.071 172.468 174.900 -0.602 0.000 1.256 120 G CA -0.535 44.084 45.100 -0.801 0.000 0.890 120 G HN 0.020 nan 8.290 nan 0.000 0.486 121 D N 0.130 120.390 120.400 -0.232 0.000 2.362 121 D HA 0.570 5.206 4.640 -0.007 0.000 0.247 121 D C -0.834 175.473 176.300 0.012 0.000 1.050 121 D CA -0.340 53.609 54.000 -0.084 0.000 0.839 121 D CB 2.571 43.380 40.800 0.014 0.000 1.283 121 D HN 0.385 nan 8.370 nan 0.000 0.477 122 L N 3.055 124.321 121.223 0.071 0.000 2.272 122 L HA 0.427 4.763 4.340 -0.007 0.000 0.289 122 L C -2.599 174.439 176.870 0.280 0.000 1.032 122 L CA -1.818 53.151 54.840 0.216 0.000 0.810 122 L CB 1.285 43.488 42.059 0.239 0.000 1.205 122 L HN 0.052 nan 8.230 nan 0.000 0.422 123 P HA 0.055 nan 4.420 nan 0.000 0.265 123 P C -0.937 176.632 177.300 0.449 0.000 1.187 123 P CA 0.236 63.559 63.100 0.372 0.000 0.766 123 P CB 0.269 32.197 31.700 0.382 0.000 0.820 124 I N 3.764 124.543 120.570 0.348 0.000 2.330 124 I HA 0.314 4.480 4.170 -0.007 0.000 0.289 124 I C 0.561 176.680 176.117 0.003 0.000 1.001 124 I CA -0.849 60.612 61.300 0.269 0.000 1.193 124 I CB 0.758 38.889 38.000 0.219 0.000 1.345 124 I HN 0.422 nan 8.210 nan 0.000 0.461 125 M N 6.055 125.353 119.600 -0.503 0.000 2.228 125 M HA 0.200 4.676 4.480 -0.007 0.000 0.351 125 M C -0.666 175.255 176.300 -0.632 0.000 1.233 125 M CA -0.422 54.175 55.300 -1.171 0.000 1.129 125 M CB 0.585 32.065 32.600 -1.866 0.000 1.604 125 M HN 0.339 nan 8.290 nan 0.000 0.457 126 L N 6.655 127.431 121.223 -0.745 0.000 2.455 126 L HA 0.062 4.398 4.340 -0.007 0.000 0.272 126 L C 0.882 177.506 176.870 -0.410 0.000 1.174 126 L CA 0.943 55.427 54.840 -0.593 0.000 0.869 126 L CB 0.286 41.833 42.059 -0.854 0.000 1.130 126 L HN 0.830 nan 8.230 nan 0.000 0.474 127 K N -0.256 119.996 120.400 -0.247 0.000 3.407 127 K HA -0.182 4.133 4.320 -0.007 0.000 0.312 127 K C 0.212 176.764 176.600 -0.081 0.000 1.302 127 K CA 0.877 57.080 56.287 -0.140 0.000 0.931 127 K CB -1.316 31.102 32.500 -0.137 0.000 1.257 127 K HN 0.804 nan 8.250 nan 0.000 0.454 128 S N -0.604 115.054 115.700 -0.070 0.000 2.614 128 S HA 0.578 5.043 4.470 -0.007 0.000 0.265 128 S C 1.688 176.325 174.600 0.062 0.000 1.303 128 S CA -0.300 57.918 58.200 0.030 0.000 1.000 128 S CB 1.753 65.046 63.200 0.155 0.000 0.935 128 S HN 0.280 nan 8.310 nan 0.000 0.551 129 A N 1.736 124.596 122.820 0.066 0.000 1.882 129 A HA -0.211 4.104 4.320 -0.007 0.000 0.220 129 A C 2.038 179.655 177.584 0.055 0.000 1.253 129 A CA 2.147 54.210 52.037 0.044 0.000 0.664 129 A CB -1.323 17.689 19.000 0.020 0.000 0.838 129 A HN 1.033 nan 8.150 nan 0.000 0.460 130 I N 0.299 120.910 120.570 0.067 0.000 2.423 130 I HA -0.115 4.051 4.170 -0.007 0.000 0.254 130 I C 0.552 176.728 176.117 0.098 0.000 1.151 130 I CA 0.825 62.166 61.300 0.069 0.000 1.421 130 I CB -0.554 37.480 38.000 0.056 0.000 1.079 130 I HN 0.373 nan 8.210 nan 0.000 0.431 131 D N 0.311 120.781 120.400 0.116 0.000 2.383 131 D HA 0.072 4.707 4.640 -0.007 0.000 0.252 131 D C -1.650 174.729 176.300 0.132 0.000 1.166 131 D CA -1.925 52.155 54.000 0.133 0.000 0.879 131 D CB 1.257 42.127 40.800 0.116 0.000 1.164 131 D HN 0.027 nan 8.370 nan 0.000 0.462 132 P HA -0.150 nan 4.420 nan 0.000 0.218 132 P C 1.408 178.923 177.300 0.360 0.000 1.148 132 P CA 0.607 63.854 63.100 0.246 0.000 0.822 132 P CB 0.153 32.036 31.700 0.304 0.000 0.784 133 I N -0.662 119.998 120.570 0.150 0.000 2.335 133 I HA -0.201 3.965 4.170 -0.007 0.000 0.251 133 I C 2.341 178.528 176.117 0.116 0.000 1.129 133 I CA 1.575 62.829 61.300 -0.077 0.000 1.402 133 I CB -1.920 35.917 38.000 -0.272 0.000 1.069 133 I HN 0.046 nan 8.210 nan 0.000 0.424 134 S N 0.212 115.968 115.700 0.094 0.000 2.387 134 S HA -0.239 4.226 4.470 -0.007 0.000 0.230 134 S C 1.955 176.622 174.600 0.112 0.000 1.035 134 S CA 1.449 59.694 58.200 0.075 0.000 1.014 134 S CB -0.029 63.202 63.200 0.053 0.000 0.836 134 S HN 0.439 nan 8.310 nan 0.000 0.466 135 Q N -0.349 119.546 119.800 0.159 0.000 2.119 135 Q HA 0.033 4.368 4.340 -0.007 0.000 0.201 135 Q C -0.022 176.055 176.000 0.127 0.000 0.972 135 Q CA 0.597 56.468 55.803 0.112 0.000 0.847 135 Q CB -0.467 28.311 28.738 0.066 0.000 0.903 135 Q HN 0.611 nan 8.270 nan 0.000 0.433 136 Y N 1.137 121.442 120.300 0.008 0.000 2.811 136 Y HA -0.082 4.463 4.550 -0.007 0.000 0.334 136 Y C 1.277 177.178 175.900 0.003 0.000 1.247 136 Y CA 0.408 58.511 58.100 0.006 0.000 1.526 136 Y CB 0.134 38.598 38.460 0.007 0.000 1.284 136 Y HN -0.118 nan 8.280 nan 0.000 0.586 137 T N 2.832 117.453 114.554 0.113 0.000 2.813 137 T HA 0.037 4.383 4.350 -0.007 0.000 0.297 137 T C 1.346 176.100 174.700 0.090 0.000 1.036 137 T CA -0.506 61.638 62.100 0.073 0.000 1.044 137 T CB 0.438 69.323 68.868 0.029 0.000 0.993 137 T HN 0.756 nan 8.240 nan 0.000 0.535 138 L N 1.564 122.820 121.223 0.055 0.000 2.081 138 L HA -0.076 4.259 4.340 -0.007 0.000 0.212 138 L C 1.997 178.891 176.870 0.041 0.000 1.080 138 L CA 1.934 56.800 54.840 0.042 0.000 0.754 138 L CB -0.253 41.821 42.059 0.026 0.000 0.893 138 L HN 0.707 nan 8.230 nan 0.000 0.433 139 D N -0.911 119.513 120.400 0.040 0.000 2.213 139 D HA -0.117 4.519 4.640 -0.007 0.000 0.205 139 D C 2.128 178.460 176.300 0.055 0.000 0.961 139 D CA 0.691 54.711 54.000 0.033 0.000 0.853 139 D CB 0.130 40.943 40.800 0.021 0.000 0.967 139 D HN 0.218 nan 8.370 nan 0.000 0.496 140 K N 0.076 120.531 120.400 0.091 0.000 2.009 140 K HA -0.120 4.195 4.320 -0.007 0.000 0.210 140 K C 1.840 178.540 176.600 0.166 0.000 1.049 140 K CA 0.634 57.019 56.287 0.164 0.000 0.929 140 K CB -0.200 32.459 32.500 0.265 0.000 0.714 140 K HN 0.025 nan 8.250 nan 0.000 0.440 141 L N 1.166 122.469 121.223 0.133 0.000 2.197 141 L HA -0.250 4.085 4.340 -0.007 0.000 0.215 141 L C 2.021 178.893 176.870 0.004 0.000 1.095 141 L CA 1.383 56.239 54.840 0.027 0.000 0.764 141 L CB -0.435 41.630 42.059 0.010 0.000 0.897 141 L HN 0.240 nan 8.230 nan 0.000 0.436 142 I N -1.068 119.514 120.570 0.019 0.000 2.235 142 I HA -0.189 3.977 4.170 -0.007 0.000 0.241 142 I C 2.409 178.528 176.117 0.004 0.000 1.085 142 I CA 0.942 62.242 61.300 0.001 0.000 1.378 142 I CB -1.223 36.776 38.000 -0.000 0.000 1.076 142 I HN 0.343 nan 8.210 nan 0.000 0.415 143 E N 0.668 120.883 120.200 0.026 0.000 2.108 143 E HA -0.258 4.088 4.350 -0.007 0.000 0.203 143 E C 2.231 178.845 176.600 0.024 0.000 1.022 143 E CA 1.412 57.831 56.400 0.030 0.000 0.823 143 E CB -0.032 29.702 29.700 0.057 0.000 0.744 143 E HN 0.303 nan 8.360 nan 0.000 0.456 144 I N -0.910 119.675 120.570 0.024 0.000 2.142 144 I HA -0.159 4.007 4.170 -0.007 0.000 0.240 144 I C 1.938 178.039 176.117 -0.028 0.000 1.078 144 I CA 1.966 63.263 61.300 -0.004 0.000 1.343 144 I CB -0.760 37.201 38.000 -0.065 0.000 1.046 144 I HN 0.377 nan 8.210 nan 0.000 0.405 145 G N 0.819 109.594 108.800 -0.041 0.000 2.407 145 G HA2 -0.076 3.879 3.960 -0.007 0.000 0.210 145 G HA3 -0.076 3.879 3.960 -0.007 0.000 0.210 145 G C -0.002 174.861 174.900 -0.062 0.000 1.015 145 G CA 0.074 45.143 45.100 -0.051 0.000 0.807 145 G HN 0.499 nan 8.290 nan 0.000 0.539 146 E N 0.434 120.598 120.200 -0.061 0.000 2.393 146 E HA 0.587 4.933 4.350 -0.007 0.000 0.273 146 E C -1.298 175.279 176.600 -0.039 0.000 0.918 146 E CA -0.927 55.440 56.400 -0.055 0.000 0.773 146 E CB 1.355 31.019 29.700 -0.060 0.000 1.275 146 E HN 0.092 nan 8.360 nan 0.000 0.451 147 D N 0.812 121.198 120.400 -0.023 0.000 2.304 147 D HA 0.147 4.782 4.640 -0.007 0.000 0.250 147 D C -1.688 174.618 176.300 0.010 0.000 1.107 147 D CA -2.098 51.894 54.000 -0.014 0.000 0.885 147 D CB 1.134 41.921 40.800 -0.022 0.000 1.192 147 D HN 0.208 nan 8.370 nan 0.000 0.436 148 P HA 0.000 nan 4.420 nan 0.000 0.253 148 P C 0.245 177.572 177.300 0.045 0.000 1.281 148 P CA 0.282 63.394 63.100 0.020 0.000 0.792 148 P CB 0.209 31.917 31.700 0.013 0.000 1.193 149 K N -0.270 120.172 120.400 0.069 0.000 2.358 149 K HA 0.065 4.381 4.320 -0.007 0.000 0.197 149 K C 0.297 177.073 176.600 0.293 0.000 1.025 149 K CA -0.217 56.154 56.287 0.140 0.000 1.104 149 K CB 0.151 32.675 32.500 0.041 0.000 0.855 149 K HN 0.078 nan 8.250 nan 0.000 0.531 150 D N 1.463 121.995 120.400 0.220 0.000 2.425 150 D HA -0.008 4.628 4.640 -0.007 0.000 0.247 150 D C -1.308 175.071 176.300 0.131 0.000 1.147 150 D CA -1.545 52.586 54.000 0.217 0.000 0.879 150 D CB 1.187 42.078 40.800 0.151 0.000 1.179 150 D HN -0.077 nan 8.370 nan 0.000 0.456 151 P HA 0.140 nan 4.420 nan 0.000 0.221 151 P C 0.762 178.063 177.300 0.003 0.000 1.155 151 P CA 0.762 63.885 63.100 0.038 0.000 0.812 151 P CB 0.056 31.746 31.700 -0.018 0.000 0.801 152 G N -0.355 108.468 108.800 0.038 0.000 2.553 152 G HA2 0.044 3.999 3.960 -0.007 0.000 0.242 152 G HA3 0.044 3.999 3.960 -0.007 0.000 0.242 152 G C 0.633 175.468 174.900 -0.108 0.000 1.277 152 G CA 0.255 45.231 45.100 -0.206 0.000 0.910 152 G HN 0.774 nan 8.290 nan 0.000 0.576 153 G N -2.581 106.024 108.800 -0.325 0.000 2.141 153 G HA2 0.277 4.233 3.960 -0.007 0.000 0.242 153 G HA3 0.277 4.233 3.960 -0.007 0.000 0.242 153 G C 0.221 174.967 174.900 -0.257 0.000 0.982 153 G CA 1.676 46.641 45.100 -0.225 0.000 0.662 153 G HN 2.489 nan 8.290 nan 0.000 0.527 154 Y N -1.861 118.145 120.300 -0.489 0.000 2.562 154 Y HA 0.792 5.338 4.550 -0.007 0.000 0.345 154 Y C -0.432 175.143 175.900 -0.541 0.000 1.045 154 Y CA -2.927 54.925 58.100 -0.414 0.000 1.028 154 Y CB 0.881 39.229 38.460 -0.187 0.000 1.297 154 Y HN 0.032 nan 8.280 nan 0.000 0.463 155 F N 2.226 122.111 119.950 -0.108 0.000 2.432 155 F HA 0.627 5.149 4.527 -0.007 0.000 0.329 155 F C -0.116 175.694 175.800 0.016 0.000 1.076 155 F CA -1.085 56.836 58.000 -0.132 0.000 1.018 155 F CB 1.463 40.386 39.000 -0.129 0.000 1.201 155 F HN 0.328 nan 8.300 nan 0.000 0.489 156 I N 3.716 124.392 120.570 0.177 0.000 2.307 156 I HA 0.323 4.488 4.170 -0.007 0.000 0.289 156 I C -0.635 175.581 176.117 0.166 0.000 1.021 156 I CA -0.787 60.606 61.300 0.156 0.000 1.224 156 I CB 0.919 38.972 38.000 0.089 0.000 1.376 156 I HN 0.357 nan 8.210 nan 0.000 0.470 157 V N 3.116 123.105 119.914 0.125 0.000 2.628 157 V HA 0.465 4.581 4.120 -0.007 0.000 0.306 157 V C 0.740 176.869 176.094 0.059 0.000 1.045 157 V CA -0.910 61.442 62.300 0.088 0.000 0.905 157 V CB 1.603 33.455 31.823 0.048 0.000 0.997 157 V HN 0.839 nan 8.190 nan 0.000 0.436 158 N N 2.565 121.297 118.700 0.054 0.000 2.618 158 N HA -0.305 4.431 4.740 -0.007 0.000 0.247 158 N C 1.214 176.750 175.510 0.043 0.000 1.108 158 N CA 1.842 54.919 53.050 0.045 0.000 0.754 158 N CB -0.947 37.551 38.487 0.020 0.000 1.029 158 N HN 1.789 nan 8.380 nan 0.000 0.548 159 G N -1.497 107.336 108.800 0.056 0.000 2.424 159 G HA2 -0.278 3.678 3.960 -0.007 0.000 0.207 159 G HA3 -0.278 3.678 3.960 -0.007 0.000 0.207 159 G C 0.026 174.950 174.900 0.040 0.000 1.061 159 G CA 0.481 45.609 45.100 0.048 0.000 0.657 159 G HN 0.968 nan 8.290 nan 0.000 0.508 160 S N 0.979 116.697 115.700 0.031 0.000 2.646 160 S HA 0.668 5.134 4.470 -0.007 0.000 0.276 160 S C 0.143 174.769 174.600 0.044 0.000 1.222 160 S CA 0.245 58.458 58.200 0.021 0.000 1.014 160 S CB 1.712 64.911 63.200 -0.002 0.000 0.991 160 S HN 0.511 nan 8.310 nan 0.000 0.533 161 E N 0.485 120.705 120.200 0.033 0.000 2.374 161 E HA 0.456 4.802 4.350 -0.007 0.000 0.260 161 E C -0.431 176.207 176.600 0.065 0.000 1.101 161 E CA -0.382 56.064 56.400 0.077 0.000 0.907 161 E CB 0.530 30.198 29.700 -0.052 0.000 1.014 161 E HN 0.491 nan 8.360 nan 0.000 0.427 162 R N 0.886 121.476 120.500 0.149 0.000 2.508 162 R HA 0.318 4.654 4.340 -0.007 0.000 0.283 162 R C -2.136 174.278 176.300 0.191 0.000 1.120 162 R CA -0.431 55.739 56.100 0.117 0.000 0.958 162 R CB 1.730 32.098 30.300 0.113 0.000 1.215 162 R HN 0.320 nan 8.270 nan 0.000 0.427 163 V N 6.470 126.410 119.914 0.044 0.000 2.487 163 V HA 0.530 4.646 4.120 -0.007 0.000 0.298 163 V C -0.342 175.714 176.094 -0.064 0.000 1.028 163 V CA -0.763 61.544 62.300 0.012 0.000 0.860 163 V CB 1.613 33.334 31.823 -0.169 0.000 0.991 163 V HN 0.818 nan 8.190 nan 0.000 0.427 164 I N 7.593 128.137 120.570 -0.043 0.000 2.349 164 I HA 0.127 4.292 4.170 -0.007 0.000 0.302 164 I C 0.424 176.404 176.117 -0.228 0.000 1.180 164 I CA 0.280 61.497 61.300 -0.138 0.000 1.405 164 I CB 0.920 38.825 38.000 -0.157 0.000 1.474 164 I HN 0.416 nan 8.210 nan 0.000 0.632 165 V N 5.796 125.652 119.914 -0.096 0.000 2.963 165 V HA 0.010 4.125 4.120 -0.007 0.000 0.306 165 V C 0.940 177.076 176.094 0.070 0.000 1.077 165 V CA 0.102 62.420 62.300 0.031 0.000 1.124 165 V CB 1.799 33.659 31.823 0.062 0.000 0.987 165 V HN 0.761 nan 8.190 nan 0.000 0.487 166 T N 5.573 120.246 114.554 0.198 0.000 2.884 166 T HA 0.277 4.623 4.350 -0.007 0.000 0.298 166 T C -0.388 174.381 174.700 0.114 0.000 0.998 166 T CA -0.645 61.566 62.100 0.185 0.000 1.124 166 T CB 0.641 69.668 68.868 0.264 0.000 0.931 166 T HN 0.727 nan 8.240 nan 0.000 0.531 167 Q N 3.382 123.234 119.800 0.088 0.000 2.307 167 Q HA 0.339 4.675 4.340 -0.007 0.000 0.262 167 Q C -0.322 175.718 176.000 0.067 0.000 0.961 167 Q CA -0.506 55.337 55.803 0.067 0.000 0.882 167 Q CB 1.784 30.551 28.738 0.047 0.000 1.264 167 Q HN 0.856 nan 8.270 nan 0.000 0.446 168 E N 1.937 122.175 120.200 0.064 0.000 2.283 168 E HA 0.220 4.566 4.350 -0.007 0.000 0.278 168 E C -1.080 175.533 176.600 0.021 0.000 1.027 168 E CA -0.244 56.190 56.400 0.056 0.000 0.843 168 E CB 0.706 30.446 29.700 0.068 0.000 1.062 168 E HN 0.313 nan 8.360 nan 0.000 0.401 169 D N 2.998 123.402 120.400 0.006 0.000 2.619 169 D HA 0.216 4.851 4.640 -0.007 0.000 0.241 169 D C -0.777 175.503 176.300 -0.033 0.000 1.087 169 D CA -0.616 53.380 54.000 -0.007 0.000 0.851 169 D CB 1.543 42.346 40.800 0.006 0.000 1.474 169 D HN 0.455 nan 8.370 nan 0.000 0.478 170 L N 1.369 122.573 121.223 -0.033 0.000 2.525 170 L HA 0.393 4.729 4.340 -0.007 0.000 0.278 170 L C 0.132 176.986 176.870 -0.027 0.000 1.218 170 L CA -0.320 54.497 54.840 -0.039 0.000 0.878 170 L CB 0.316 42.362 42.059 -0.023 0.000 1.127 170 L HN 0.507 nan 8.230 nan 0.000 0.492 171 A N 6.802 129.604 122.820 -0.030 0.000 2.584 171 A HA 0.290 4.606 4.320 -0.007 0.000 0.239 171 A C -2.206 175.369 177.584 -0.016 0.000 1.043 171 A CA -0.594 51.434 52.037 -0.015 0.000 0.756 171 A CB -0.964 18.030 19.000 -0.009 0.000 0.963 171 A HN 0.705 nan 8.150 nan 0.000 0.511 172 P HA 0.384 nan 4.420 nan 0.000 0.280 172 P C 0.267 177.514 177.300 -0.087 0.000 1.272 172 P CA -0.398 62.669 63.100 -0.055 0.000 0.819 172 P CB 0.893 32.562 31.700 -0.051 0.000 1.122 173 N N -1.937 116.638 118.700 -0.207 0.000 2.356 173 N HA -0.194 4.542 4.740 -0.007 0.000 0.217 173 N C 0.298 175.769 175.510 -0.065 0.000 0.296 173 N CA 1.802 54.633 53.050 -0.366 0.000 4.166 173 N CB -1.996 36.324 38.487 -0.279 0.000 0.821 173 N HN 0.678 nan 8.380 nan 0.000 0.229 174 R N 2.168 122.703 120.500 0.058 0.000 2.697 174 R HA 0.317 4.653 4.340 -0.007 0.000 0.265 174 R C -0.008 176.403 176.300 0.186 0.000 1.009 174 R CA -0.096 56.107 56.100 0.172 0.000 1.099 174 R CB 0.176 30.552 30.300 0.126 0.000 0.965 174 R HN 0.072 nan 8.270 nan 0.000 0.428 175 V N 4.605 124.663 119.914 0.240 0.000 2.439 175 V HA 0.073 4.189 4.120 -0.007 0.000 0.271 175 V C 0.486 176.642 176.094 0.102 0.000 1.040 175 V CA 0.063 62.467 62.300 0.174 0.000 1.002 175 V CB 0.248 32.142 31.823 0.118 0.000 1.000 175 V HN 0.512 nan 8.190 nan 0.000 0.477 176 L N 6.673 127.944 121.223 0.081 0.000 2.313 176 L HA 0.423 4.759 4.340 -0.007 0.000 0.273 176 L C -0.169 176.731 176.870 0.049 0.000 1.028 176 L CA -0.544 54.330 54.840 0.055 0.000 0.871 176 L CB 1.451 43.538 42.059 0.046 0.000 1.242 176 L HN 0.422 nan 8.230 nan 0.000 0.434 177 V N 1.119 121.056 119.914 0.037 0.000 2.811 177 V HA 0.346 4.462 4.120 -0.007 0.000 0.302 177 V C -0.211 175.913 176.094 0.049 0.000 1.063 177 V CA -0.112 62.211 62.300 0.038 0.000 1.088 177 V CB 1.461 33.294 31.823 0.017 0.000 0.982 177 V HN 0.736 nan 8.190 nan 0.000 0.485 178 D N 0.345 120.785 120.400 0.066 0.000 2.663 178 D HA 0.365 5.000 4.640 -0.007 0.000 0.233 178 D C -1.098 175.258 176.300 0.094 0.000 1.240 178 D CA -0.377 53.665 54.000 0.070 0.000 0.774 178 D CB 2.049 42.883 40.800 0.056 0.000 1.443 178 D HN 0.558 nan 8.370 nan 0.000 0.441 179 T N 1.617 116.223 114.554 0.087 0.000 2.733 179 T HA 0.540 4.886 4.350 -0.007 0.000 0.294 179 T C 0.935 175.641 174.700 0.011 0.000 0.956 179 T CA -0.403 61.745 62.100 0.080 0.000 0.987 179 T CB 1.330 70.259 68.868 0.101 0.000 0.920 179 T HN 0.451 nan 8.240 nan 0.000 0.470 180 G N 2.103 110.885 108.800 -0.030 0.000 3.440 180 G HA2 0.057 4.013 3.960 -0.007 0.000 0.263 180 G HA3 0.057 4.013 3.960 -0.007 0.000 0.263 180 G C 0.913 175.773 174.900 -0.068 0.000 1.236 180 G CA -0.433 44.646 45.100 -0.035 0.000 0.927 180 G HN 0.618 nan 8.290 nan 0.000 0.530 181 K N 0.700 121.046 120.400 -0.090 0.000 2.732 181 K HA -0.046 4.269 4.320 -0.007 0.000 0.206 181 K C 1.904 178.465 176.600 -0.064 0.000 0.992 181 K CA 0.401 56.626 56.287 -0.103 0.000 1.035 181 K CB -0.125 32.314 32.500 -0.102 0.000 0.843 181 K HN 0.295 nan 8.250 nan 0.000 0.488 182 T N -0.585 113.941 114.554 -0.047 0.000 2.737 182 T HA -0.154 4.192 4.350 -0.007 0.000 0.269 182 T C 1.300 175.978 174.700 -0.037 0.000 1.040 182 T CA 1.350 63.429 62.100 -0.034 0.000 1.142 182 T CB -0.084 68.770 68.868 -0.024 0.000 0.861 182 T HN 0.481 nan 8.240 nan 0.000 0.456 183 G N 0.791 109.563 108.800 -0.047 0.000 2.370 183 G HA2 0.148 4.104 3.960 -0.007 0.000 0.225 183 G HA3 0.148 4.104 3.960 -0.007 0.000 0.225 183 G C 0.091 174.965 174.900 -0.045 0.000 1.109 183 G CA 0.024 45.096 45.100 -0.047 0.000 0.871 183 G HN 0.777 nan 8.290 nan 0.000 0.498 184 S N -0.601 115.068 115.700 -0.051 0.000 3.012 184 S HA 0.528 4.993 4.470 -0.007 0.000 0.254 184 S C 1.196 175.761 174.600 -0.058 0.000 1.030 184 S CA 0.090 58.261 58.200 -0.047 0.000 1.053 184 S CB 0.521 63.697 63.200 -0.039 0.000 1.286 184 S HN -0.005 nan 8.310 nan 0.000 0.633 185 N N 0.648 119.313 118.700 -0.058 0.000 2.331 185 N HA 0.169 4.905 4.740 -0.007 0.000 0.180 185 N C -0.099 175.372 175.510 -0.065 0.000 1.019 185 N CA 0.708 53.715 53.050 -0.071 0.000 0.881 185 N CB -0.395 38.041 38.487 -0.084 0.000 0.972 185 N HN 0.462 nan 8.380 nan 0.000 0.435 186 I N 1.154 121.691 120.570 -0.056 0.000 2.337 186 I HA 0.103 4.269 4.170 -0.007 0.000 0.291 186 I C 0.866 176.914 176.117 -0.115 0.000 1.046 186 I CA 0.227 61.498 61.300 -0.049 0.000 1.324 186 I CB 0.671 38.658 38.000 -0.023 0.000 1.409 186 I HN 0.054 nan 8.210 nan 0.000 0.494 187 T N 4.727 119.166 114.554 -0.191 0.000 2.990 187 T HA 0.141 4.487 4.350 -0.007 0.000 0.237 187 T C 0.576 174.923 174.700 -0.589 0.000 1.009 187 T CA 0.618 62.426 62.100 -0.487 0.000 1.195 187 T CB 0.109 68.529 68.868 -0.747 0.000 0.885 187 T HN 0.520 nan 8.240 nan 0.000 0.424 188 H N 0.167 119.255 119.070 0.029 0.000 2.690 188 H HA 0.744 5.295 4.556 -0.007 0.000 0.368 188 H C -0.687 174.672 175.328 0.051 0.000 1.150 188 H CA -0.421 55.646 56.048 0.033 0.000 1.174 188 H CB 2.065 31.851 29.762 0.040 0.000 1.684 188 H HN 0.163 nan 8.280 nan 0.000 0.538 189 T N 0.034 114.681 114.554 0.155 0.000 2.787 189 T HA 0.711 5.056 4.350 -0.007 0.000 0.297 189 T C -1.454 173.302 174.700 0.093 0.000 1.221 189 T CA -0.440 61.727 62.100 0.112 0.000 1.006 189 T CB 1.795 70.714 68.868 0.085 0.000 1.328 189 T HN 0.832 nan 8.240 nan 0.000 0.509 190 A N 1.889 124.761 122.820 0.087 0.000 2.475 190 A HA 0.808 5.124 4.320 -0.007 0.000 0.301 190 A C -1.110 176.525 177.584 0.085 0.000 1.059 190 A CA -0.736 51.348 52.037 0.077 0.000 0.710 190 A CB 1.674 20.716 19.000 0.069 0.000 1.288 190 A HN 0.728 nan 8.150 nan 0.000 0.408 191 K N 2.562 123.009 120.400 0.078 0.000 2.521 191 K HA 0.590 4.906 4.320 -0.007 0.000 0.248 191 K C -1.644 175.001 176.600 0.075 0.000 0.978 191 K CA -0.244 56.086 56.287 0.073 0.000 0.947 191 K CB 0.414 32.948 32.500 0.056 0.000 1.165 191 K HN 0.641 nan 8.250 nan 0.000 0.445 192 I N 5.170 125.790 120.570 0.083 0.000 2.330 192 I HA 0.307 4.472 4.170 -0.007 0.000 0.289 192 I C -0.326 175.799 176.117 0.013 0.000 1.001 192 I CA -0.855 60.491 61.300 0.078 0.000 1.193 192 I CB 1.188 39.272 38.000 0.140 0.000 1.345 192 I HN 0.342 nan 8.210 nan 0.000 0.461 193 I N 5.795 126.347 120.570 -0.030 0.000 2.371 193 I HA 0.186 4.352 4.170 -0.007 0.000 0.282 193 I C 0.315 176.355 176.117 -0.128 0.000 1.031 193 I CA -0.302 60.968 61.300 -0.050 0.000 1.180 193 I CB 1.131 39.116 38.000 -0.025 0.000 1.336 193 I HN 0.561 nan 8.210 nan 0.000 0.467 194 S N 3.772 119.407 115.700 -0.109 0.000 2.475 194 S HA 0.571 5.037 4.470 -0.007 0.000 0.281 194 S C 0.738 175.319 174.600 -0.031 0.000 1.198 194 S CA -0.384 57.744 58.200 -0.121 0.000 1.063 194 S CB 1.672 64.903 63.200 0.051 0.000 0.972 194 S HN 0.642 nan 8.310 nan 0.000 0.486 195 S N 2.470 118.161 115.700 -0.015 0.000 3.334 195 S HA 0.445 4.911 4.470 -0.007 0.000 0.224 195 S C 0.063 174.688 174.600 0.041 0.000 0.959 195 S CA -0.080 58.125 58.200 0.007 0.000 0.815 195 S CB 0.099 63.293 63.200 -0.009 0.000 0.861 195 S HN 0.731 nan 8.310 nan 0.000 0.596 196 T N 1.409 116.004 114.554 0.067 0.000 4.209 196 T HA 0.642 4.988 4.350 -0.007 0.000 0.319 196 T C -0.552 174.202 174.700 0.089 0.000 0.730 196 T CA -0.184 61.962 62.100 0.077 0.000 0.949 196 T CB 0.905 69.799 68.868 0.043 0.000 1.110 196 T HN 0.716 nan 8.240 nan 0.000 0.470 201 V N 2.858 122.764 119.914 -0.013 0.000 2.384 201 V HA 0.251 4.366 4.120 -0.007 0.000 0.257 201 V C -1.605 174.468 176.094 -0.034 0.000 0.969 201 V CA -0.952 61.341 62.300 -0.011 0.000 0.910 201 V CB 0.798 32.624 31.823 0.006 0.000 1.150 201 V HN 0.442 nan 8.190 nan 0.000 0.481 202 P HA 0.556 nan 4.420 nan 0.000 0.335 202 P C -0.745 176.529 177.300 -0.044 0.000 1.388 202 P CA -0.577 62.485 63.100 -0.064 0.000 0.859 202 P CB 1.134 32.775 31.700 -0.098 0.000 2.107 203 V N -1.421 118.469 119.914 -0.039 0.000 2.739 203 V HA 0.335 4.451 4.120 -0.007 0.000 0.293 203 V C -1.508 174.585 176.094 -0.002 0.000 1.199 203 V CA -0.171 62.118 62.300 -0.019 0.000 0.931 203 V CB 1.541 33.353 31.823 -0.018 0.000 1.052 203 V HN 0.494 nan 8.190 nan 0.000 0.441 204 T N 7.849 122.413 114.554 0.016 0.000 2.779 204 T HA 0.596 4.941 4.350 -0.007 0.000 0.280 204 T C -0.187 174.551 174.700 0.063 0.000 0.987 204 T CA -0.182 61.950 62.100 0.053 0.000 0.966 204 T CB 1.061 69.993 68.868 0.106 0.000 0.933 204 T HN 0.506 nan 8.240 nan 0.000 0.442 205 I N 4.054 124.669 120.570 0.076 0.000 2.587 205 I HA 0.099 4.265 4.170 -0.007 0.000 0.284 205 I C 0.734 176.943 176.117 0.153 0.000 1.134 205 I CA 0.542 61.898 61.300 0.092 0.000 1.410 205 I CB 0.178 38.228 38.000 0.083 0.000 1.392 205 I HN 0.378 nan 8.210 nan 0.000 0.545 206 E N 7.849 128.113 120.200 0.106 0.000 2.220 206 E HA 0.466 4.812 4.350 -0.007 0.000 0.256 206 E C -0.648 176.018 176.600 0.111 0.000 0.881 206 E CA -0.664 55.791 56.400 0.091 0.000 0.766 206 E CB 1.710 31.398 29.700 -0.020 0.000 1.187 206 E HN 0.449 nan 8.360 nan 0.000 0.419 207 R N 2.380 122.971 120.500 0.151 0.000 2.854 207 R HA 0.646 4.982 4.340 -0.007 0.000 0.271 207 R C -0.248 176.153 176.300 0.168 0.000 0.996 207 R CA -1.031 55.156 56.100 0.146 0.000 0.961 207 R CB 1.857 32.239 30.300 0.137 0.000 1.182 207 R HN 0.335 nan 8.270 nan 0.000 0.479 208 L N 2.596 123.907 121.223 0.148 0.000 2.492 208 L HA 0.370 4.706 4.340 -0.007 0.000 0.258 208 L C -0.327 176.628 176.870 0.141 0.000 1.028 208 L CA -0.407 54.524 54.840 0.151 0.000 0.900 208 L CB 1.433 43.563 42.059 0.118 0.000 1.191 208 L HN 0.403 nan 8.230 nan 0.000 0.459 209 K N 1.109 121.613 120.400 0.172 0.000 2.127 209 K HA 0.262 4.578 4.320 -0.007 0.000 0.240 209 K C 0.417 177.128 176.600 0.186 0.000 1.024 209 K CA -0.690 55.691 56.287 0.157 0.000 0.918 209 K CB 0.859 33.445 32.500 0.143 0.000 1.108 209 K HN 0.477 nan 8.250 nan 0.000 0.485 210 D N -1.008 119.475 120.400 0.139 0.000 2.845 210 D HA -0.249 4.386 4.640 -0.007 0.000 0.167 210 D C 0.609 177.034 176.300 0.209 0.000 1.672 210 D CA 2.265 56.345 54.000 0.133 0.000 1.924 210 D CB -0.651 40.241 40.800 0.152 0.000 1.372 210 D HN 0.932 nan 8.370 nan 0.000 0.423 211 G N -2.099 106.858 108.800 0.263 0.000 2.152 211 G HA2 0.033 3.989 3.960 -0.007 0.000 0.058 211 G HA3 0.033 3.989 3.960 -0.007 0.000 0.058 211 G C -0.949 174.035 174.900 0.140 0.000 0.966 211 G CA 0.408 45.708 45.100 0.333 0.000 1.149 211 G HN 0.318 nan 8.290 nan 0.000 0.402 212 T N 1.463 116.016 114.554 -0.002 0.000 2.947 212 T HA 0.707 5.053 4.350 -0.007 0.000 0.337 212 T C -0.431 174.040 174.700 -0.381 0.000 1.139 212 T CA 0.102 62.017 62.100 -0.308 0.000 0.992 212 T CB 0.582 69.099 68.868 -0.584 0.000 1.043 212 T HN 0.373 nan 8.240 nan 0.000 0.498 213 F N 0.518 120.308 119.950 -0.267 0.000 1.781 213 F HA 0.245 4.768 4.527 -0.007 0.000 0.267 213 F C 0.160 175.666 175.800 -0.490 0.000 1.142 213 F CA -0.400 57.365 58.000 -0.392 0.000 1.284 213 F CB 0.844 39.644 39.000 -0.333 0.000 1.728 213 F HN 0.432 nan 8.300 nan 0.000 0.437 214 H N -0.362 118.884 119.070 0.293 0.000 2.806 214 H HA 0.652 5.203 4.556 -0.007 0.000 0.367 214 H C -1.168 174.292 175.328 0.219 0.000 1.136 214 H CA -0.942 55.251 56.048 0.241 0.000 1.178 214 H CB 2.296 32.169 29.762 0.184 0.000 1.718 214 H HN -0.255 nan 8.280 nan 0.000 0.540 215 V N 2.071 122.196 119.914 0.351 0.000 2.398 215 V HA 0.395 4.511 4.120 -0.007 0.000 0.286 215 V C 0.218 176.478 176.094 0.277 0.000 1.026 215 V CA -0.671 61.811 62.300 0.303 0.000 0.868 215 V CB 1.371 33.384 31.823 0.316 0.000 0.982 215 V HN 0.876 nan 8.190 nan 0.000 0.443 216 S N 4.622 120.480 115.700 0.262 0.000 2.651 216 S HA 0.850 5.316 4.470 -0.007 0.000 0.291 216 S C -1.171 173.670 174.600 0.401 0.000 1.141 216 S CA -0.373 57.988 58.200 0.269 0.000 1.027 216 S CB 1.543 64.860 63.200 0.194 0.000 1.043 216 S HN 0.576 nan 8.310 nan 0.000 0.530 217 F N 2.557 122.590 119.950 0.139 0.000 2.670 217 F HA 0.448 4.971 4.527 -0.007 0.000 0.332 217 F C -2.352 173.505 175.800 0.095 0.000 1.179 217 F CA -1.881 56.206 58.000 0.144 0.000 1.076 217 F CB 2.068 41.192 39.000 0.206 0.000 1.322 217 F HN 0.435 nan 8.300 nan 0.000 0.515 218 P HA 0.002 nan 4.420 nan 0.000 0.225 218 P C 0.856 178.003 177.300 -0.256 0.000 1.156 218 P CA 1.372 64.399 63.100 -0.121 0.000 0.787 218 P CB 0.281 31.933 31.700 -0.079 0.000 0.802 219 A N -0.273 122.193 122.820 -0.590 0.000 2.072 219 A HA 0.144 4.460 4.320 -0.007 0.000 0.216 219 A C 1.181 178.550 177.584 -0.358 0.000 1.156 219 A CA 0.690 52.357 52.037 -0.617 0.000 0.701 219 A CB -0.202 18.169 19.000 -1.049 0.000 0.816 219 A HN 0.097 nan 8.150 nan 0.000 0.458 220 V N 2.714 122.531 119.914 -0.161 0.000 2.383 220 V HA 0.229 4.344 4.120 -0.007 0.000 0.261 220 V C -2.575 173.570 176.094 0.086 0.000 0.987 220 V CA -1.705 60.625 62.300 0.049 0.000 0.853 220 V CB 0.791 32.765 31.823 0.252 0.000 1.095 220 V HN 0.266 nan 8.190 nan 0.000 0.461 221 P HA 0.245 nan 4.420 nan 0.000 0.269 221 P C 1.024 178.356 177.300 0.054 0.000 1.217 221 P CA 1.477 64.599 63.100 0.038 0.000 0.783 221 P CB 1.086 32.791 31.700 0.008 0.000 0.898 222 G N 0.307 109.137 108.800 0.049 0.000 2.493 222 G HA2 -0.212 3.743 3.960 -0.007 0.000 0.206 222 G HA3 -0.212 3.743 3.960 -0.007 0.000 0.206 222 G C -0.446 174.483 174.900 0.048 0.000 1.109 222 G CA 0.185 45.311 45.100 0.042 0.000 0.689 222 G HN 0.709 nan 8.290 nan 0.000 0.516 223 K N -0.286 120.170 120.400 0.094 0.000 6.806 223 K HA -0.070 4.246 4.320 -0.007 0.000 0.764 223 K C -0.736 175.937 176.600 0.122 0.000 2.469 223 K CA 0.969 57.328 56.287 0.120 0.000 1.793 223 K CB -0.561 31.990 32.500 0.085 0.000 2.301 223 K HN 0.500 nan 8.250 nan 0.000 0.246 224 I N 3.525 124.210 120.570 0.191 0.000 2.474 224 I HA 0.306 4.471 4.170 -0.007 0.000 0.294 224 I C -2.091 174.210 176.117 0.307 0.000 1.005 224 I CA -2.889 58.536 61.300 0.209 0.000 1.113 224 I CB 1.264 39.347 38.000 0.139 0.000 1.289 224 I HN 0.320 nan 8.210 nan 0.000 0.436 225 P HA -0.102 nan 4.420 nan 0.000 0.257 225 P C 0.925 178.290 177.300 0.108 0.000 1.162 225 P CA 0.395 63.633 63.100 0.229 0.000 0.762 225 P CB 0.118 31.914 31.700 0.160 0.000 0.753 226 F N 6.036 125.954 119.950 -0.052 0.000 2.115 226 F HA -0.264 4.258 4.527 -0.007 0.000 0.300 226 F C 1.844 177.602 175.800 -0.070 0.000 1.092 226 F CA 1.991 59.959 58.000 -0.053 0.000 1.245 226 F CB -0.567 38.374 39.000 -0.098 0.000 0.995 226 F HN 0.169 nan 8.300 nan 0.000 0.481 227 V N 0.651 120.386 119.914 -0.299 0.000 2.591 227 V HA -0.161 3.955 4.120 -0.007 0.000 0.249 227 V C 2.157 178.076 176.094 -0.292 0.000 1.053 227 V CA 1.771 63.830 62.300 -0.402 0.000 1.068 227 V CB -0.411 31.308 31.823 -0.173 0.000 0.689 227 V HN 0.452 nan 8.190 nan 0.000 0.462 228 I N -0.131 120.331 120.570 -0.181 0.000 2.179 228 I HA -0.247 3.919 4.170 -0.007 0.000 0.242 228 I C 2.371 178.384 176.117 -0.173 0.000 1.088 228 I CA 1.915 63.135 61.300 -0.133 0.000 1.357 228 I CB -0.327 37.639 38.000 -0.056 0.000 1.051 228 I HN 0.283 nan 8.210 nan 0.000 0.409 229 L N -0.415 120.680 121.223 -0.213 0.000 2.141 229 L HA -0.195 4.141 4.340 -0.007 0.000 0.209 229 L C 2.637 179.295 176.870 -0.354 0.000 1.094 229 L CA 0.961 55.629 54.840 -0.286 0.000 0.763 229 L CB -0.363 41.509 42.059 -0.311 0.000 0.908 229 L HN 0.305 nan 8.230 nan 0.000 0.437 230 M N -0.860 118.482 119.600 -0.430 0.000 2.200 230 M HA -0.173 4.302 4.480 -0.007 0.000 0.265 230 M C 2.416 178.552 176.300 -0.272 0.000 1.066 230 M CA 1.447 56.497 55.300 -0.416 0.000 1.127 230 M CB -0.547 31.668 32.600 -0.643 0.000 1.379 230 M HN 0.170 nan 8.290 nan 0.000 0.420 231 R N 0.388 120.747 120.500 -0.234 0.000 2.062 231 R HA -0.050 4.285 4.340 -0.007 0.000 0.231 231 R C 2.056 178.279 176.300 -0.128 0.000 1.136 231 R CA 1.780 57.787 56.100 -0.155 0.000 0.948 231 R CB -0.377 29.846 30.300 -0.128 0.000 0.845 231 R HN 0.313 nan 8.270 nan 0.000 0.430 232 A N 0.238 122.977 122.820 -0.134 0.000 2.186 232 A HA -0.101 4.214 4.320 -0.007 0.000 0.219 232 A C 1.935 179.452 177.584 -0.111 0.000 1.159 232 A CA 1.038 53.012 52.037 -0.106 0.000 0.680 232 A CB -0.438 18.498 19.000 -0.106 0.000 0.787 232 A HN 0.344 nan 8.150 nan 0.000 0.467 233 L N -2.258 118.881 121.223 -0.140 0.000 2.071 233 L HA 0.191 4.526 4.340 -0.007 0.000 0.201 233 L C 2.131 178.955 176.870 -0.077 0.000 1.076 233 L CA 1.501 56.272 54.840 -0.116 0.000 0.755 233 L CB -0.116 41.860 42.059 -0.138 0.000 0.915 233 L HN 0.499 nan 8.230 nan 0.000 0.445 234 G N -1.804 106.944 108.800 -0.086 0.000 4.248 234 G HA2 0.039 3.994 3.960 -0.007 0.000 0.218 234 G HA3 0.039 3.994 3.960 -0.007 0.000 0.218 234 G C 0.143 175.001 174.900 -0.071 0.000 0.790 234 G CA -0.597 44.466 45.100 -0.062 0.000 0.844 234 G HN 0.045 nan 8.290 nan 0.000 0.588 235 I N 2.409 122.916 120.570 -0.105 0.000 2.379 235 I HA 0.311 4.476 4.170 -0.007 0.000 0.290 235 I C 1.250 177.316 176.117 -0.085 0.000 1.063 235 I CA -0.081 61.154 61.300 -0.108 0.000 1.351 235 I CB 1.260 39.166 38.000 -0.157 0.000 1.410 235 I HN 0.016 nan 8.210 nan 0.000 0.505 236 L N 4.336 125.525 121.223 -0.058 0.000 2.347 236 L HA 0.103 4.439 4.340 -0.007 0.000 0.196 236 L C 0.989 177.840 176.870 -0.031 0.000 1.072 236 L CA 0.464 55.277 54.840 -0.045 0.000 0.817 236 L CB 0.071 42.110 42.059 -0.033 0.000 1.029 236 L HN 0.539 nan 8.230 nan 0.000 0.478 237 T N 0.457 114.999 114.554 -0.020 0.000 2.934 237 T HA -0.084 4.262 4.350 -0.007 0.000 0.306 237 T C 0.601 175.309 174.700 0.014 0.000 1.042 237 T CA -0.240 61.858 62.100 -0.003 0.000 1.145 237 T CB 0.710 69.578 68.868 -0.001 0.000 0.982 237 T HN 0.142 nan 8.240 nan 0.000 0.544 238 D N 2.467 122.882 120.400 0.025 0.000 2.104 238 D HA -0.118 4.518 4.640 -0.007 0.000 0.194 238 D C 2.171 178.526 176.300 0.091 0.000 0.994 238 D CA 1.345 55.375 54.000 0.049 0.000 0.830 238 D CB -0.002 40.824 40.800 0.044 0.000 0.959 238 D HN 0.505 nan 8.370 nan 0.000 0.452 239 R N 0.366 120.927 120.500 0.103 0.000 2.148 239 R HA -0.102 4.233 4.340 -0.007 0.000 0.227 239 R C 1.611 178.026 176.300 0.192 0.000 1.103 239 R CA 0.896 57.113 56.100 0.194 0.000 0.983 239 R CB 0.004 30.369 30.300 0.109 0.000 0.874 239 R HN 0.108 nan 8.270 nan 0.000 0.451 240 D N 0.067 120.519 120.400 0.088 0.000 2.264 240 D HA -0.062 4.574 4.640 -0.007 0.000 0.208 240 D C 1.564 177.906 176.300 0.070 0.000 0.966 240 D CA 0.944 54.984 54.000 0.066 0.000 0.864 240 D CB 0.169 40.975 40.800 0.010 0.000 0.933 240 D HN 0.247 nan 8.370 nan 0.000 0.499 241 I N -0.713 119.906 120.570 0.081 0.000 2.628 241 I HA -0.107 4.059 4.170 -0.007 0.000 0.255 241 I C 2.166 178.374 176.117 0.151 0.000 1.119 241 I CA 0.192 61.553 61.300 0.100 0.000 1.448 241 I CB 0.025 38.075 38.000 0.083 0.000 1.133 241 I HN -0.152 nan 8.210 nan 0.000 0.438 242 V N 0.688 120.676 119.914 0.123 0.000 2.255 242 V HA -0.330 3.786 4.120 -0.007 0.000 0.247 242 V C 2.296 178.292 176.094 -0.164 0.000 1.051 242 V CA 2.227 64.498 62.300 -0.048 0.000 1.018 242 V CB -0.774 31.023 31.823 -0.044 0.000 0.641 242 V HN 0.316 nan 8.190 nan 0.000 0.445 243 Y N 0.236 120.506 120.300 -0.049 0.000 2.314 243 Y HA -0.021 4.525 4.550 -0.007 0.000 0.293 243 Y C 2.457 178.385 175.900 0.046 0.000 1.129 243 Y CA 1.068 59.154 58.100 -0.022 0.000 1.201 243 Y CB -0.716 37.745 38.460 0.001 0.000 0.999 243 Y HN 0.190 nan 8.280 nan 0.000 0.541 244 A N -0.513 122.447 122.820 0.234 0.000 2.019 244 A HA -0.136 4.180 4.320 -0.007 0.000 0.219 244 A C 2.299 180.034 177.584 0.252 0.000 1.164 244 A CA 1.779 53.981 52.037 0.276 0.000 0.644 244 A CB -1.055 18.022 19.000 0.128 0.000 0.805 244 A HN 0.264 nan 8.150 nan 0.000 0.449 245 V N -0.304 119.687 119.914 0.130 0.000 2.283 245 V HA -0.005 4.111 4.120 -0.007 0.000 0.243 245 V C 1.227 177.356 176.094 0.058 0.000 1.039 245 V CA 1.718 64.064 62.300 0.078 0.000 1.016 245 V CB -0.773 30.982 31.823 -0.114 0.000 0.650 245 V HN 0.884 nan 8.190 nan 0.000 0.449 246 S N -1.898 113.789 115.700 -0.022 0.000 2.558 246 S HA 0.469 4.935 4.470 -0.007 0.000 0.277 246 S C -1.177 173.398 174.600 -0.041 0.000 1.143 246 S CA -0.849 57.377 58.200 0.044 0.000 0.865 246 S CB 0.767 63.982 63.200 0.025 0.000 1.102 246 S HN 0.095 nan 8.310 nan 0.000 0.454 247 L N 2.597 123.844 121.223 0.040 0.000 2.461 247 L HA 0.263 4.599 4.340 -0.007 0.000 0.272 247 L C 0.008 176.825 176.870 -0.088 0.000 1.197 247 L CA 0.021 54.871 54.840 0.017 0.000 0.836 247 L CB -0.011 42.053 42.059 0.009 0.000 1.105 247 L HN 0.782 nan 8.230 nan 0.000 0.477 248 D N 2.405 122.690 120.400 -0.193 0.000 3.350 248 D HA -0.181 4.455 4.640 -0.007 0.000 0.192 248 D C -1.667 174.573 176.300 -0.100 0.000 1.258 248 D CA 0.136 54.043 54.000 -0.155 0.000 0.762 248 D CB -0.370 40.441 40.800 0.018 0.000 0.888 248 D HN 0.415 nan 8.370 nan 0.000 0.415 249 P HA -0.101 nan 4.420 nan 0.000 0.225 249 P C 1.167 178.409 177.300 -0.097 0.000 1.156 249 P CA 0.700 63.710 63.100 -0.150 0.000 0.787 249 P CB 0.443 31.977 31.700 -0.276 0.000 0.802 250 E N -0.650 119.493 120.200 -0.095 0.000 3.865 250 E HA -0.338 4.007 4.350 -0.007 0.000 0.284 250 E C 1.441 178.005 176.600 -0.060 0.000 1.315 250 E CA 2.365 58.729 56.400 -0.060 0.000 1.960 250 E CB -1.666 28.016 29.700 -0.029 0.000 1.748 250 E HN 0.125 nan 8.360 nan 0.000 0.299 251 I N 1.008 121.546 120.570 -0.054 0.000 2.454 251 I HA -0.224 3.942 4.170 -0.007 0.000 0.254 251 I C 1.953 178.031 176.117 -0.064 0.000 1.156 251 I CA 1.667 62.934 61.300 -0.055 0.000 1.433 251 I CB -0.455 37.508 38.000 -0.061 0.000 1.082 251 I HN 0.329 nan 8.210 nan 0.000 0.432 252 Q N -0.226 119.527 119.800 -0.077 0.000 2.241 252 Q HA 0.240 4.576 4.340 -0.007 0.000 0.296 252 Q C -0.160 175.792 176.000 -0.080 0.000 0.889 252 Q CA -0.103 55.657 55.803 -0.071 0.000 1.089 252 Q CB -0.348 28.346 28.738 -0.073 0.000 1.195 252 Q HN 0.100 nan 8.270 nan 0.000 0.451 253 N N 1.191 119.853 118.700 -0.064 0.000 3.209 253 N HA 0.071 4.806 4.740 -0.007 0.000 0.309 253 N C 0.131 175.750 175.510 0.181 0.000 1.384 253 N CA 0.066 53.142 53.050 0.044 0.000 1.173 253 N CB 0.524 38.963 38.487 -0.080 0.000 1.460 253 N HN 0.426 nan 8.380 nan 0.000 0.534 254 E N -0.197 120.096 120.200 0.155 0.000 2.051 254 E HA 0.045 4.391 4.350 -0.007 0.000 0.189 254 E C -0.007 176.481 176.600 -0.186 0.000 0.979 254 E CA 0.848 57.197 56.400 -0.085 0.000 0.803 254 E CB 0.356 29.887 29.700 -0.282 0.000 0.761 254 E HN 0.301 nan 8.360 nan 0.000 0.451 255 L N 0.913 121.912 121.223 -0.373 0.000 2.709 255 L HA 0.234 4.570 4.340 -0.007 0.000 0.236 255 L C -0.366 175.878 176.870 -1.044 0.000 1.266 255 L CA -0.163 54.265 54.840 -0.686 0.000 0.987 255 L CB 0.367 41.931 42.059 -0.824 0.000 1.306 255 L HN 0.058 nan 8.230 nan 0.000 0.467 256 F N -0.773 119.079 119.950 -0.164 0.000 1.868 256 F HA 0.253 4.776 4.527 -0.007 0.000 0.245 256 F C -1.214 174.540 175.800 -0.078 0.000 1.114 256 F CA -0.010 57.931 58.000 -0.099 0.000 1.261 256 F CB -0.618 38.329 39.000 -0.088 0.000 1.620 256 F HN 0.041 nan 8.300 nan 0.000 0.567 257 P HA 0.171 nan 4.420 nan 0.000 0.255 257 P C -0.286 177.004 177.300 -0.017 0.000 1.427 257 P CA 0.622 63.742 63.100 0.033 0.000 0.863 257 P CB -0.017 31.700 31.700 0.028 0.000 1.444 258 S N -1.351 114.309 115.700 -0.067 0.000 2.924 258 S HA 0.264 4.730 4.470 -0.007 0.000 0.244 258 S C 0.097 174.543 174.600 -0.257 0.000 0.842 258 S CA -0.374 57.751 58.200 -0.125 0.000 1.086 258 S CB -0.581 62.554 63.200 -0.108 0.000 1.295 258 S HN 0.106 nan 8.310 nan 0.000 0.500 259 L N 1.128 122.194 121.223 -0.261 0.000 3.443 259 L HA 0.383 4.719 4.340 -0.007 0.000 0.339 259 L C 0.033 176.788 176.870 -0.192 0.000 1.326 259 L CA 0.131 54.757 54.840 -0.357 0.000 0.920 259 L CB 0.619 42.352 42.059 -0.544 0.000 1.364 259 L HN 0.319 nan 8.230 nan 0.000 0.612 260 E N 0.839 120.971 120.200 -0.114 0.000 2.773 260 E HA -0.101 4.244 4.350 -0.007 0.000 0.302 260 E C 1.077 177.642 176.600 -0.059 0.000 1.574 260 E CA -0.060 56.298 56.400 -0.069 0.000 1.775 260 E CB 0.273 29.947 29.700 -0.043 0.000 1.413 260 E HN 0.491 nan 8.360 nan 0.000 0.471 261 Q N 0.459 120.219 119.800 -0.067 0.000 2.291 261 Q HA -0.068 4.268 4.340 -0.007 0.000 0.205 261 Q C 0.878 176.858 176.000 -0.033 0.000 0.970 261 Q CA 0.636 56.428 55.803 -0.019 0.000 0.876 261 Q CB 0.134 28.882 28.738 0.016 0.000 0.935 261 Q HN 0.301 nan 8.270 nan 0.000 0.455 262 A N 0.411 123.196 122.820 -0.059 0.000 3.046 262 A HA 0.058 4.374 4.320 -0.007 0.000 0.259 262 A C 1.228 178.764 177.584 -0.080 0.000 1.843 262 A CA 0.277 52.265 52.037 -0.081 0.000 1.451 262 A CB -0.389 18.556 19.000 -0.091 0.000 1.025 262 A HN 0.301 nan 8.150 nan 0.000 0.625 263 S N -0.001 115.655 115.700 -0.074 0.000 2.357 263 S HA -0.090 4.375 4.470 -0.007 0.000 0.221 263 S C 2.315 176.858 174.600 -0.094 0.000 1.031 263 S CA 1.845 60.005 58.200 -0.066 0.000 0.982 263 S CB -0.030 63.142 63.200 -0.047 0.000 0.853 263 S HN 0.750 nan 8.310 nan 0.000 0.458 264 S N 1.139 116.752 115.700 -0.145 0.000 2.371 264 S HA 0.154 4.620 4.470 -0.007 0.000 0.224 264 S C 0.590 175.057 174.600 -0.222 0.000 1.029 264 S CA 0.455 58.528 58.200 -0.213 0.000 0.978 264 S CB -0.150 62.829 63.200 -0.369 0.000 0.833 264 S HN 0.350 nan 8.310 nan 0.000 0.466 265 I N 1.755 122.190 120.570 -0.224 0.000 2.352 265 I HA 0.319 4.484 4.170 -0.007 0.000 0.290 265 I C 0.941 176.993 176.117 -0.109 0.000 1.036 265 I CA -0.468 60.719 61.300 -0.188 0.000 1.336 265 I CB 0.414 38.304 38.000 -0.183 0.000 1.407 265 I HN 0.127 nan 8.210 nan 0.000 0.497 266 A N 6.045 128.819 122.820 -0.077 0.000 2.026 266 A HA 0.263 4.579 4.320 -0.007 0.000 0.198 266 A C 0.884 178.445 177.584 -0.038 0.000 1.390 266 A CA 0.102 52.108 52.037 -0.051 0.000 0.915 266 A CB 0.240 19.217 19.000 -0.038 0.000 0.974 266 A HN 0.626 nan 8.150 nan 0.000 0.477 267 N N -0.481 118.204 118.700 -0.026 0.000 2.485 267 N HA 0.375 5.111 4.740 -0.007 0.000 0.280 267 N C 1.134 176.634 175.510 -0.017 0.000 1.205 267 N CA -0.178 52.863 53.050 -0.014 0.000 0.959 267 N CB 1.751 40.240 38.487 0.003 0.000 1.206 267 N HN -0.101 nan 8.380 nan 0.000 0.545 268 V N 0.596 120.500 119.914 -0.017 0.000 2.427 268 V HA -0.162 3.953 4.120 -0.007 0.000 0.248 268 V C 1.384 177.475 176.094 -0.004 0.000 1.051 268 V CA 1.533 63.820 62.300 -0.021 0.000 1.048 268 V CB -0.310 31.500 31.823 -0.022 0.000 0.666 268 V HN 0.568 nan 8.190 nan 0.000 0.456 269 D N -0.011 120.395 120.400 0.010 0.000 2.103 269 D HA -0.142 4.493 4.640 -0.007 0.000 0.199 269 D C 1.840 178.173 176.300 0.055 0.000 0.978 269 D CA 1.297 55.311 54.000 0.024 0.000 0.829 269 D CB -0.256 40.557 40.800 0.022 0.000 0.981 269 D HN 0.343 nan 8.370 nan 0.000 0.464 270 D N 0.880 121.326 120.400 0.077 0.000 2.182 270 D HA -0.094 4.542 4.640 -0.007 0.000 0.201 270 D C 1.982 178.416 176.300 0.223 0.000 0.986 270 D CA 0.752 54.853 54.000 0.168 0.000 0.847 270 D CB -0.041 40.834 40.800 0.126 0.000 0.942 270 D HN 0.104 nan 8.370 nan 0.000 0.467 271 A N 0.444 123.321 122.820 0.094 0.000 1.855 271 A HA -0.116 4.200 4.320 -0.007 0.000 0.215 271 A C 2.388 180.027 177.584 0.091 0.000 1.191 271 A CA 0.887 52.964 52.037 0.065 0.000 0.613 271 A CB -0.773 18.217 19.000 -0.018 0.000 0.829 271 A HN 0.213 nan 8.150 nan 0.000 0.442 272 L N -0.376 120.878 121.223 0.052 0.000 2.083 272 L HA -0.189 4.146 4.340 -0.007 0.000 0.209 272 L C 2.338 179.234 176.870 0.043 0.000 1.083 272 L CA 1.644 56.505 54.840 0.034 0.000 0.752 272 L CB -0.590 41.477 42.059 0.012 0.000 0.899 272 L HN 0.452 nan 8.230 nan 0.000 0.433 273 D N 0.145 120.578 120.400 0.055 0.000 2.182 273 D HA -0.225 4.410 4.640 -0.007 0.000 0.201 273 D C 1.529 177.756 176.300 -0.121 0.000 0.986 273 D CA 1.463 55.447 54.000 -0.027 0.000 0.847 273 D CB -0.005 40.784 40.800 -0.018 0.000 0.942 273 D HN 0.284 nan 8.370 nan 0.000 0.467 274 F N -0.630 119.315 119.950 -0.007 0.000 2.645 274 F HA 0.360 4.882 4.527 -0.007 0.000 0.300 274 F C 1.451 177.252 175.800 0.002 0.000 1.115 274 F CA -0.083 57.916 58.000 -0.001 0.000 1.355 274 F CB 0.334 39.333 39.000 -0.002 0.000 1.026 274 F HN 0.010 nan 8.300 nan 0.000 0.536 275 I N -1.754 118.885 120.570 0.114 0.000 4.197 275 I HA 0.153 4.319 4.170 -0.007 0.000 0.307 275 I C 2.186 178.323 176.117 0.035 0.000 1.236 275 I CA 0.276 61.620 61.300 0.073 0.000 1.321 275 I CB -0.050 37.981 38.000 0.052 0.000 1.309 275 I HN -0.005 nan 8.210 nan 0.000 0.450 276 G N 0.945 109.751 108.800 0.009 0.000 3.340 276 G HA2 0.030 3.986 3.960 -0.007 0.000 0.240 276 G HA3 0.030 3.986 3.960 -0.007 0.000 0.240 276 G C 0.956 175.831 174.900 -0.042 0.000 1.327 276 G CA 0.741 45.834 45.100 -0.013 0.000 1.170 276 G HN 0.461 nan 8.290 nan 0.000 0.520 277 S N -1.459 114.216 115.700 -0.042 0.000 2.628 277 S HA 0.173 4.638 4.470 -0.007 0.000 0.246 277 S C 1.810 176.397 174.600 -0.023 0.000 1.062 277 S CA -0.532 57.632 58.200 -0.059 0.000 1.028 277 S CB 0.168 63.298 63.200 -0.117 0.000 0.985 277 S HN 0.200 nan 8.310 nan 0.000 0.551 278 R N 1.539 122.041 120.500 0.004 0.000 2.193 278 R HA 0.213 4.549 4.340 -0.007 0.000 0.213 278 R C 1.552 177.854 176.300 0.004 0.000 1.055 278 R CA 0.785 56.896 56.100 0.018 0.000 0.995 278 R CB -0.674 29.655 30.300 0.049 0.000 0.893 278 R HN 0.411 nan 8.270 nan 0.000 0.459 279 V N 1.000 120.912 119.914 -0.004 0.000 2.442 279 V HA 0.134 4.249 4.120 -0.007 0.000 0.195 279 V C 1.030 177.109 176.094 -0.026 0.000 1.094 279 V CA 0.719 63.007 62.300 -0.020 0.000 1.202 279 V CB -0.716 31.096 31.823 -0.019 0.000 0.756 279 V HN 0.180 nan 8.190 nan 0.000 0.479 280 A N 0.621 123.425 122.820 -0.027 0.000 2.506 280 A HA 0.534 4.850 4.320 -0.007 0.000 0.320 280 A C 0.279 177.844 177.584 -0.031 0.000 1.424 280 A CA -0.287 51.734 52.037 -0.027 0.000 1.044 280 A CB -0.833 18.152 19.000 -0.024 0.000 1.140 280 A HN 0.561 nan 8.150 nan 0.000 0.538 281 I N 3.320 123.872 120.570 -0.030 0.000 3.205 281 I HA 0.062 4.228 4.170 -0.007 0.000 0.283 281 I C 1.437 177.535 176.117 -0.033 0.000 1.157 281 I CA -0.093 61.186 61.300 -0.034 0.000 1.675 281 I CB -0.943 37.040 38.000 -0.028 0.000 1.241 281 I HN 0.619 nan 8.210 nan 0.000 0.669 282 G N 1.858 110.639 108.800 -0.033 0.000 2.514 282 G HA2 0.133 4.089 3.960 -0.007 0.000 0.245 282 G HA3 0.133 4.089 3.960 -0.007 0.000 0.245 282 G C 0.699 175.578 174.900 -0.035 0.000 1.488 282 G CA 0.094 45.176 45.100 -0.029 0.000 1.063 282 G HN 0.593 nan 8.290 nan 0.000 0.557 283 Q N -1.905 117.876 119.800 -0.031 0.000 2.245 283 Q HA 0.291 4.627 4.340 -0.007 0.000 0.250 283 Q C 0.428 176.408 176.000 -0.033 0.000 0.830 283 Q CA -0.154 55.629 55.803 -0.034 0.000 0.950 283 Q CB 0.305 29.027 28.738 -0.026 0.000 1.124 283 Q HN 0.255 nan 8.270 nan 0.000 0.502 284 K N 1.873 122.256 120.400 -0.028 0.000 2.315 284 K HA 0.152 4.467 4.320 -0.007 0.000 0.291 284 K C 0.646 177.229 176.600 -0.029 0.000 1.074 284 K CA -0.288 55.984 56.287 -0.024 0.000 0.936 284 K CB 0.643 33.133 32.500 -0.018 0.000 1.049 284 K HN 0.094 nan 8.250 nan 0.000 0.471 285 R N 2.554 123.035 120.500 -0.031 0.000 2.073 285 R HA -0.181 4.155 4.340 -0.007 0.000 0.234 285 R C 0.786 177.069 176.300 -0.028 0.000 1.134 285 R CA 1.896 57.973 56.100 -0.037 0.000 0.952 285 R CB 0.244 30.524 30.300 -0.034 0.000 0.850 285 R HN 0.581 nan 8.270 nan 0.000 0.433 286 E N 0.207 120.397 120.200 -0.018 0.000 2.047 286 E HA -0.079 4.266 4.350 -0.007 0.000 0.191 286 E C 1.771 178.365 176.600 -0.010 0.000 0.987 286 E CA 1.045 57.438 56.400 -0.011 0.000 0.799 286 E CB -0.229 29.467 29.700 -0.007 0.000 0.752 286 E HN 0.315 nan 8.360 nan 0.000 0.449 287 N N 0.404 119.097 118.700 -0.012 0.000 2.289 287 N HA -0.114 4.622 4.740 -0.007 0.000 0.184 287 N C 1.601 177.103 175.510 -0.013 0.000 1.016 287 N CA 0.762 53.806 53.050 -0.010 0.000 0.872 287 N CB -0.030 38.450 38.487 -0.011 0.000 0.973 287 N HN 0.092 nan 8.380 nan 0.000 0.433 288 R N 0.422 120.908 120.500 -0.022 0.000 2.090 288 R HA 0.144 4.480 4.340 -0.007 0.000 0.228 288 R C 2.144 178.432 176.300 -0.020 0.000 1.110 288 R CA 0.640 56.723 56.100 -0.029 0.000 0.973 288 R CB -0.079 30.191 30.300 -0.050 0.000 0.869 288 R HN 0.210 nan 8.270 nan 0.000 0.440 289 I N 0.414 120.974 120.570 -0.016 0.000 2.546 289 I HA -0.172 3.994 4.170 -0.007 0.000 0.255 289 I C 1.885 178.005 176.117 0.004 0.000 1.163 289 I CA 1.101 62.398 61.300 -0.004 0.000 1.457 289 I CB -0.198 37.801 38.000 -0.002 0.000 1.092 289 I HN 0.189 nan 8.210 nan 0.000 0.434 290 E N 1.164 121.366 120.200 0.003 0.000 2.028 290 E HA -0.198 4.147 4.350 -0.007 0.000 0.191 290 E C 1.629 178.240 176.600 0.018 0.000 0.988 290 E CA 0.919 57.325 56.400 0.011 0.000 0.799 290 E CB 0.008 29.712 29.700 0.007 0.000 0.755 290 E HN 0.246 nan 8.360 nan 0.000 0.447 291 K N -0.273 120.133 120.400 0.011 0.000 2.968 291 K HA 0.139 4.455 4.320 -0.007 0.000 0.249 291 K C 0.160 176.770 176.600 0.017 0.000 1.062 291 K CA 0.015 56.310 56.287 0.014 0.000 1.215 291 K CB 0.290 32.790 32.500 0.000 0.000 1.097 291 K HN 0.065 nan 8.250 nan 0.000 0.462 292 A N -0.580 122.256 122.820 0.027 0.000 1.817 292 A HA 0.037 4.352 4.320 -0.007 0.000 0.204 292 A C 1.620 179.235 177.584 0.051 0.000 1.741 292 A CA -0.176 51.884 52.037 0.038 0.000 1.196 292 A CB 0.083 19.097 19.000 0.023 0.000 1.211 292 A HN 0.298 nan 8.150 nan 0.000 0.450 293 Q N -0.023 119.800 119.800 0.038 0.000 2.030 293 Q HA -0.209 4.127 4.340 -0.007 0.000 0.204 293 Q C 2.031 178.070 176.000 0.065 0.000 0.986 293 Q CA 2.051 57.877 55.803 0.038 0.000 0.843 293 Q CB -0.109 28.645 28.738 0.027 0.000 0.904 293 Q HN 0.734 nan 8.270 nan 0.000 0.420 294 Q N -0.560 119.285 119.800 0.075 0.000 2.354 294 Q HA -0.024 4.311 4.340 -0.007 0.000 0.203 294 Q C 1.949 178.047 176.000 0.163 0.000 0.933 294 Q CA 0.020 55.884 55.803 0.101 0.000 0.901 294 Q CB 0.354 29.140 28.738 0.080 0.000 1.007 294 Q HN 0.313 nan 8.270 nan 0.000 0.495 295 I N 0.823 121.483 120.570 0.151 0.000 2.208 295 I HA -0.295 3.871 4.170 -0.007 0.000 0.245 295 I C 2.049 178.364 176.117 0.329 0.000 1.097 295 I CA 1.597 63.013 61.300 0.193 0.000 1.363 295 I CB -0.721 37.317 38.000 0.063 0.000 1.051 295 I HN 0.281 nan 8.210 nan 0.000 0.413 296 I N 0.358 121.083 120.570 0.258 0.000 2.163 296 I HA -0.299 3.867 4.170 -0.007 0.000 0.240 296 I C 2.182 178.483 176.117 0.307 0.000 1.081 296 I CA 1.328 62.803 61.300 0.292 0.000 1.353 296 I CB -0.443 37.613 38.000 0.092 0.000 1.054 296 I HN 0.150 nan 8.210 nan 0.000 0.407 297 D N 1.052 121.574 120.400 0.203 0.000 2.158 297 D HA -0.236 4.400 4.640 -0.007 0.000 0.197 297 D C 1.931 178.327 176.300 0.159 0.000 0.995 297 D CA 1.539 55.633 54.000 0.156 0.000 0.846 297 D CB -0.085 40.777 40.800 0.103 0.000 0.941 297 D HN 0.466 nan 8.370 nan 0.000 0.456 298 K N -1.687 118.830 120.400 0.195 0.000 2.387 298 K HA 0.069 4.385 4.320 -0.007 0.000 0.203 298 K C 0.655 177.227 176.600 -0.047 0.000 1.030 298 K CA 0.095 56.420 56.287 0.064 0.000 1.099 298 K CB 0.255 32.752 32.500 -0.005 0.000 0.863 298 K HN 0.055 nan 8.250 nan 0.000 0.529 299 Y N -0.826 119.607 120.300 0.221 0.000 2.452 299 Y HA 0.326 4.872 4.550 -0.007 0.000 0.262 299 Y C -0.284 175.954 175.900 0.563 0.000 1.089 299 Y CA -0.863 57.407 58.100 0.282 0.000 1.262 299 Y CB 0.719 39.273 38.460 0.158 0.000 1.236 299 Y HN -0.018 nan 8.280 nan 0.000 0.512 300 F N 1.799 122.064 119.950 0.525 0.000 2.391 300 F HA 0.400 4.922 4.527 -0.007 0.000 0.359 300 F C 0.279 176.166 175.800 0.145 0.000 1.122 300 F CA -0.980 57.195 58.000 0.293 0.000 1.120 300 F CB 0.431 39.441 39.000 0.017 0.000 1.142 300 F HN -0.074 nan 8.300 nan 0.000 0.483 301 L N 7.211 128.351 121.223 -0.139 0.000 3.762 301 L HA -0.246 4.090 4.340 -0.007 0.000 0.460 301 L C -1.877 174.983 176.870 -0.017 0.000 1.255 301 L CA -0.417 54.390 54.840 -0.054 0.000 0.783 301 L CB -0.899 41.093 42.059 -0.110 0.000 1.600 301 L HN 0.520 nan 8.230 nan 0.000 0.862 302 P HA -0.154 nan 4.420 nan 0.000 0.222 302 P C 1.294 178.588 177.300 -0.009 0.000 1.147 302 P CA 1.732 64.844 63.100 0.021 0.000 0.790 302 P CB -0.012 31.699 31.700 0.019 0.000 0.780 303 H N -1.676 117.362 119.070 -0.053 0.000 2.518 303 H HA -0.070 4.482 4.556 -0.007 0.000 0.294 303 H C 1.423 176.722 175.328 -0.048 0.000 1.083 303 H CA 0.965 56.980 56.048 -0.054 0.000 1.264 303 H CB -1.110 28.609 29.762 -0.072 0.000 1.370 303 H HN 0.140 nan 8.280 nan 0.000 0.560 304 L N -0.639 120.274 121.223 -0.517 0.000 2.296 304 L HA 0.377 4.713 4.340 -0.007 0.000 0.193 304 L C 1.356 178.144 176.870 -0.138 0.000 1.123 304 L CA 0.342 54.970 54.840 -0.354 0.000 0.805 304 L CB 0.005 41.810 42.059 -0.423 0.000 1.004 304 L HN 0.429 nan 8.230 nan 0.000 0.478 305 G N -1.599 107.144 108.800 -0.094 0.000 2.563 305 G HA2 0.500 4.456 3.960 -0.007 0.000 0.302 305 G HA3 0.500 4.456 3.960 -0.007 0.000 0.302 305 G C -0.301 174.601 174.900 0.002 0.000 1.301 305 G CA -0.014 45.071 45.100 -0.026 0.000 0.965 305 G HN -0.003 nan 8.290 nan 0.000 0.480 306 T N -0.605 113.956 114.554 0.012 0.000 2.987 306 T HA 0.228 4.573 4.350 -0.007 0.000 0.248 306 T C 1.462 176.182 174.700 0.033 0.000 0.997 306 T CA 0.710 62.823 62.100 0.021 0.000 1.013 306 T CB 0.243 69.115 68.868 0.007 0.000 1.077 306 T HN 0.823 nan 8.240 nan 0.000 0.483 307 S N 0.607 116.324 115.700 0.028 0.000 2.745 307 S HA 0.750 5.215 4.470 -0.007 0.000 0.292 307 S C 1.760 176.380 174.600 0.033 0.000 1.133 307 S CA -0.126 58.092 58.200 0.030 0.000 0.998 307 S CB 1.403 64.617 63.200 0.023 0.000 1.087 307 S HN 0.205 nan 8.310 nan 0.000 0.551 308 A N 0.950 123.789 122.820 0.031 0.000 1.917 308 A HA -0.073 4.243 4.320 -0.007 0.000 0.219 308 A C 1.158 178.758 177.584 0.026 0.000 1.182 308 A CA 2.019 54.073 52.037 0.029 0.000 0.633 308 A CB -1.390 17.625 19.000 0.024 0.000 0.819 308 A HN 0.873 nan 8.150 nan 0.000 0.448 309 D N 0.062 120.476 120.400 0.023 0.000 2.826 309 D HA 0.166 4.802 4.640 -0.007 0.000 0.247 309 D C 0.019 176.335 176.300 0.026 0.000 1.238 309 D CA 0.419 54.432 54.000 0.023 0.000 0.894 309 D CB 0.127 40.938 40.800 0.018 0.000 1.100 309 D HN 0.365 nan 8.370 nan 0.000 0.453 310 D N -1.471 118.947 120.400 0.031 0.000 2.345 310 D HA 0.071 4.706 4.640 -0.007 0.000 0.290 310 D C 1.776 178.106 176.300 0.049 0.000 1.107 310 D CA -0.106 53.915 54.000 0.036 0.000 0.836 310 D CB 0.463 41.277 40.800 0.023 0.000 1.406 310 D HN 0.042 nan 8.370 nan 0.000 0.532 311 R N 1.015 121.541 120.500 0.044 0.000 2.112 311 R HA -0.055 4.281 4.340 -0.007 0.000 0.242 311 R C 2.154 178.481 176.300 0.045 0.000 1.137 311 R CA 1.183 57.307 56.100 0.041 0.000 0.944 311 R CB -0.093 30.217 30.300 0.017 0.000 0.857 311 R HN 0.004 nan 8.270 nan 0.000 0.435 312 R N 0.988 121.516 120.500 0.046 0.000 2.139 312 R HA -0.151 4.184 4.340 -0.007 0.000 0.243 312 R C 1.961 178.355 176.300 0.157 0.000 1.145 312 R CA 1.502 57.639 56.100 0.062 0.000 0.976 312 R CB -0.058 30.287 30.300 0.075 0.000 0.866 312 R HN 0.239 nan 8.270 nan 0.000 0.449 313 K N 0.397 120.895 120.400 0.163 0.000 2.228 313 K HA -0.096 4.220 4.320 -0.007 0.000 0.202 313 K C 1.677 178.418 176.600 0.234 0.000 1.051 313 K CA 1.159 57.575 56.287 0.215 0.000 0.960 313 K CB 0.151 32.724 32.500 0.120 0.000 0.743 313 K HN 0.189 nan 8.250 nan 0.000 0.458 314 K N -0.468 120.036 120.400 0.173 0.000 2.417 314 K HA 0.251 4.567 4.320 -0.007 0.000 0.196 314 K C 1.529 178.282 176.600 0.256 0.000 1.023 314 K CA 0.454 56.869 56.287 0.212 0.000 1.122 314 K CB 0.672 33.259 32.500 0.146 0.000 0.850 314 K HN -0.061 nan 8.250 nan 0.000 0.521 315 A N 1.049 123.966 122.820 0.162 0.000 1.897 315 A HA -0.052 4.263 4.320 -0.007 0.000 0.215 315 A C 1.540 179.179 177.584 0.092 0.000 1.181 315 A CA 0.745 52.809 52.037 0.045 0.000 0.620 315 A CB -0.739 18.189 19.000 -0.120 0.000 0.821 315 A HN 0.383 nan 8.150 nan 0.000 0.443 316 Y N -2.361 118.054 120.300 0.192 0.000 2.352 316 Y HA -0.201 4.344 4.550 -0.007 0.000 0.292 316 Y C 2.244 178.308 175.900 0.273 0.000 1.136 316 Y CA 1.650 59.873 58.100 0.206 0.000 1.227 316 Y CB -0.375 38.181 38.460 0.159 0.000 0.991 316 Y HN 0.501 nan 8.280 nan 0.000 0.545 317 Y N -0.218 120.287 120.300 0.342 0.000 2.163 317 Y HA -0.250 4.296 4.550 -0.007 0.000 0.288 317 Y C 2.380 178.502 175.900 0.370 0.000 1.136 317 Y CA 1.279 59.581 58.100 0.337 0.000 1.147 317 Y CB -0.388 38.237 38.460 0.275 0.000 0.987 317 Y HN 0.065 nan 8.280 nan 0.000 0.509 318 L N -0.607 120.934 121.223 0.530 0.000 2.042 318 L HA -0.263 4.072 4.340 -0.007 0.000 0.210 318 L C 2.524 179.651 176.870 0.429 0.000 1.076 318 L CA 1.573 56.703 54.840 0.484 0.000 0.749 318 L CB -0.734 41.609 42.059 0.473 0.000 0.893 318 L HN 0.389 nan 8.230 nan 0.000 0.432 319 A N -1.084 121.973 122.820 0.396 0.000 1.933 319 A HA -0.316 4.000 4.320 -0.007 0.000 0.218 319 A C 2.089 179.834 177.584 0.268 0.000 1.175 319 A CA 1.802 54.060 52.037 0.369 0.000 0.628 319 A CB -0.894 18.287 19.000 0.301 0.000 0.814 319 A HN 0.628 nan 8.150 nan 0.000 0.444 320 Y N 0.224 120.591 120.300 0.112 0.000 2.184 320 Y HA 0.042 4.588 4.550 -0.007 0.000 0.290 320 Y C 2.582 178.453 175.900 -0.049 0.000 1.129 320 Y CA 1.252 59.349 58.100 -0.006 0.000 1.144 320 Y CB -0.352 38.029 38.460 -0.131 0.000 0.995 320 Y HN 0.292 nan 8.280 nan 0.000 0.513 321 A N 0.505 123.265 122.820 -0.100 0.000 2.024 321 A HA -0.165 4.151 4.320 -0.007 0.000 0.220 321 A C 2.091 179.604 177.584 -0.118 0.000 1.164 321 A CA 1.700 53.658 52.037 -0.132 0.000 0.643 321 A CB -0.874 18.177 19.000 0.084 0.000 0.806 321 A HN 0.543 nan 8.150 nan 0.000 0.451 322 I N 0.719 121.248 120.570 -0.068 0.000 2.233 322 I HA -0.148 4.018 4.170 -0.007 0.000 0.243 322 I C 2.602 178.660 176.117 -0.099 0.000 1.093 322 I CA 1.955 63.179 61.300 -0.125 0.000 1.380 322 I CB -1.247 36.608 38.000 -0.242 0.000 1.067 322 I HN 0.509 nan 8.210 nan 0.000 0.413 323 S N 0.120 115.758 115.700 -0.102 0.000 2.641 323 S HA -0.081 4.384 4.470 -0.007 0.000 0.239 323 S C 1.533 176.005 174.600 -0.213 0.000 0.972 323 S CA 0.652 58.778 58.200 -0.123 0.000 0.954 323 S CB -0.239 62.910 63.200 -0.085 0.000 0.767 323 S HN 0.362 nan 8.310 nan 0.000 0.539 324 K N 0.149 120.396 120.400 -0.256 0.000 2.365 324 K HA 0.280 4.596 4.320 -0.007 0.000 0.195 324 K C 1.597 178.130 176.600 -0.112 0.000 1.079 324 K CA 0.538 56.696 56.287 -0.216 0.000 0.979 324 K CB 0.233 32.566 32.500 -0.279 0.000 0.929 324 K HN 0.352 nan 8.250 nan 0.000 0.523 325 V N 2.247 122.108 119.914 -0.090 0.000 2.575 325 V HA -0.104 4.012 4.120 -0.007 0.000 0.242 325 V C 2.212 178.276 176.094 -0.049 0.000 1.045 325 V CA 0.935 63.208 62.300 -0.045 0.000 1.065 325 V CB -0.333 31.486 31.823 -0.006 0.000 0.717 325 V HN 0.216 nan 8.190 nan 0.000 0.467 326 I N -0.994 119.547 120.570 -0.048 0.000 2.454 326 I HA -0.172 3.993 4.170 -0.007 0.000 0.254 326 I C 2.205 178.295 176.117 -0.044 0.000 1.156 326 I CA 1.750 63.028 61.300 -0.038 0.000 1.433 326 I CB -0.563 37.438 38.000 0.003 0.000 1.082 326 I HN 0.290 nan 8.210 nan 0.000 0.432 327 E N 0.926 121.087 120.200 -0.065 0.000 2.204 327 E HA -0.180 4.165 4.350 -0.007 0.000 0.194 327 E C 2.030 178.575 176.600 -0.091 0.000 0.989 327 E CA 0.870 57.224 56.400 -0.076 0.000 0.824 327 E CB 0.081 29.738 29.700 -0.072 0.000 0.756 327 E HN 0.492 nan 8.360 nan 0.000 0.477 328 L N -0.522 120.636 121.223 -0.107 0.000 2.298 328 L HA 0.004 4.340 4.340 -0.007 0.000 0.209 328 L C 1.798 178.495 176.870 -0.287 0.000 1.084 328 L CA 1.142 55.887 54.840 -0.158 0.000 0.816 328 L CB -0.495 41.483 42.059 -0.135 0.000 0.967 328 L HN 0.146 nan 8.230 nan 0.000 0.460 329 Y N 0.176 120.185 120.300 -0.485 0.000 2.053 329 Y HA -0.205 4.341 4.550 -0.007 0.000 0.277 329 Y C 1.087 176.842 175.900 -0.241 0.000 1.159 329 Y CA 1.244 59.052 58.100 -0.486 0.000 1.125 329 Y CB -0.034 38.261 38.460 -0.275 0.000 0.969 329 Y HN 0.069 nan 8.280 nan 0.000 0.492 330 L N 0.346 121.611 121.223 0.070 0.000 2.426 330 L HA 0.099 4.434 4.340 -0.007 0.000 0.271 330 L C 1.162 177.945 176.870 -0.145 0.000 1.169 330 L CA 0.248 55.062 54.840 -0.043 0.000 0.836 330 L CB 0.682 42.679 42.059 -0.102 0.000 1.112 330 L HN 0.288 nan 8.230 nan 0.000 0.465 331 G N 3.872 112.566 108.800 -0.177 0.000 3.325 331 G HA2 0.001 3.957 3.960 -0.007 0.000 0.242 331 G HA3 0.001 3.957 3.960 -0.007 0.000 0.242 331 G C 0.955 175.697 174.900 -0.263 0.000 1.120 331 G CA -0.220 44.782 45.100 -0.164 0.000 1.778 331 G HN 0.626 nan 8.290 nan 0.000 0.610 332 R N -0.555 119.776 120.500 -0.281 0.000 2.195 332 R HA 0.205 4.540 4.340 -0.007 0.000 0.197 332 R C 2.045 178.363 176.300 0.031 0.000 0.990 332 R CA -0.054 55.854 56.100 -0.321 0.000 1.048 332 R CB 0.272 30.379 30.300 -0.321 0.000 0.997 332 R HN 0.292 nan 8.270 nan 0.000 0.502 333 R N 0.582 121.083 120.500 0.000 0.000 2.098 333 R HA 0.053 4.389 4.340 -0.007 0.000 0.203 333 R C -0.233 176.095 176.300 0.047 0.000 1.166 333 R CA 0.192 56.313 56.100 0.036 0.000 1.090 333 R CB 0.549 30.849 30.300 0.001 0.000 0.992 333 R HN 0.152 nan 8.270 nan 0.000 0.477 334 E N 1.105 121.320 120.200 0.025 0.000 7.553 334 E HA -0.077 4.268 4.350 -0.007 0.000 0.426 334 E C -2.724 173.895 176.600 0.031 0.000 0.455 334 E CA -0.354 56.065 56.400 0.032 0.000 0.852 334 E CB -0.508 29.220 29.700 0.048 0.000 0.955 334 E HN 0.033 nan 8.360 nan 0.000 0.262 335 P HA -0.031 nan 4.420 nan 0.000 0.268 335 P C -0.331 176.993 177.300 0.039 0.000 1.189 335 P CA 0.266 63.389 63.100 0.038 0.000 0.771 335 P CB 0.406 32.134 31.700 0.047 0.000 0.822 336 D N 1.391 121.812 120.400 0.035 0.000 2.424 336 D HA -0.029 4.606 4.640 -0.007 0.000 0.244 336 D C -0.042 176.284 176.300 0.042 0.000 1.134 336 D CA 0.634 54.650 54.000 0.028 0.000 0.881 336 D CB 0.437 41.251 40.800 0.023 0.000 1.191 336 D HN 0.296 nan 8.370 nan 0.000 0.445 337 D N 2.005 122.434 120.400 0.048 0.000 2.411 337 D HA 0.016 4.652 4.640 -0.007 0.000 0.225 337 D C 0.419 176.754 176.300 0.059 0.000 1.156 337 D CA -0.328 53.730 54.000 0.096 0.000 0.874 337 D CB 0.421 41.331 40.800 0.182 0.000 1.034 337 D HN 0.310 nan 8.370 nan 0.000 0.502 338 K N 1.679 122.102 120.400 0.038 0.000 2.551 338 K HA 0.151 4.467 4.320 -0.007 0.000 0.204 338 K C -0.049 176.515 176.600 -0.059 0.000 1.033 338 K CA -0.170 56.111 56.287 -0.009 0.000 1.187 338 K CB 0.878 33.377 32.500 -0.002 0.000 0.900 338 K HN 0.079 nan 8.250 nan 0.000 0.499 339 D N -0.132 120.228 120.400 -0.067 0.000 2.479 339 D HA -0.034 4.602 4.640 -0.007 0.000 0.221 339 D C -0.084 175.849 176.300 -0.612 0.000 1.104 339 D CA 0.036 53.913 54.000 -0.207 0.000 0.849 339 D CB 0.199 41.032 40.800 0.055 0.000 1.072 339 D HN 0.279 nan 8.370 nan 0.000 0.502 340 H N 0.516 119.258 119.070 -0.546 0.000 2.928 340 H HA -0.071 4.481 4.556 -0.007 0.000 0.338 340 H C 0.158 175.322 175.328 -0.273 0.000 1.047 340 H CA 0.677 56.473 56.048 -0.421 0.000 1.435 340 H CB 0.499 30.206 29.762 -0.091 0.000 1.428 340 H HN 0.043 nan 8.280 nan 0.000 0.590 341 Y N 2.749 123.017 120.300 -0.053 0.000 2.578 341 Y HA 0.012 4.558 4.550 -0.007 0.000 0.297 341 Y C 2.097 178.077 175.900 0.134 0.000 1.176 341 Y CA 0.774 58.890 58.100 0.028 0.000 1.315 341 Y CB 0.153 38.601 38.460 -0.019 0.000 1.031 341 Y HN 0.733 nan 8.280 nan 0.000 0.524 342 A N -0.441 122.605 122.820 0.377 0.000 2.072 342 A HA -0.038 4.277 4.320 -0.007 0.000 0.216 342 A C 1.367 178.977 177.584 0.043 0.000 1.156 342 A CA 0.809 52.944 52.037 0.164 0.000 0.701 342 A CB -0.100 18.911 19.000 0.019 0.000 0.816 342 A HN 0.264 nan 8.150 nan 0.000 0.458 343 N N 0.025 118.730 118.700 0.008 0.000 2.380 343 N HA 0.221 4.957 4.740 -0.007 0.000 0.255 343 N C -0.825 174.634 175.510 -0.084 0.000 1.158 343 N CA 0.214 53.241 53.050 -0.039 0.000 0.878 343 N CB 0.626 39.084 38.487 -0.048 0.000 1.138 343 N HN 0.189 nan 8.380 nan 0.000 0.509 344 K N 0.202 120.550 120.400 -0.086 0.000 2.482 344 K HA 0.430 4.745 4.320 -0.007 0.000 0.251 344 K C -1.083 175.513 176.600 -0.006 0.000 0.936 344 K CA -0.466 55.736 56.287 -0.142 0.000 0.791 344 K CB 2.037 34.251 32.500 -0.478 0.000 1.213 344 K HN -0.128 nan 8.250 nan 0.000 0.428 345 R N 3.067 123.570 120.500 0.006 0.000 2.451 345 R HA 0.470 4.805 4.340 -0.007 0.000 0.307 345 R C -1.412 174.924 176.300 0.059 0.000 0.965 345 R CA -0.678 55.449 56.100 0.045 0.000 0.865 345 R CB 0.746 31.064 30.300 0.030 0.000 1.174 345 R HN 0.415 nan 8.270 nan 0.000 0.455 346 L N 4.188 125.464 121.223 0.089 0.000 2.281 346 L HA 0.422 4.757 4.340 -0.007 0.000 0.285 346 L C -0.140 176.779 176.870 0.082 0.000 1.074 346 L CA 0.022 54.919 54.840 0.095 0.000 0.817 346 L CB 0.837 42.965 42.059 0.115 0.000 1.168 346 L HN 0.363 nan 8.230 nan 0.000 0.434 347 R N 5.492 126.038 120.500 0.078 0.000 2.391 347 R HA 0.362 4.698 4.340 -0.007 0.000 0.310 347 R C -0.307 176.051 176.300 0.097 0.000 1.174 347 R CA -0.455 55.689 56.100 0.073 0.000 1.118 347 R CB -0.057 30.274 30.300 0.052 0.000 1.134 347 R HN 0.585 nan 8.270 nan 0.000 0.524 348 L N 0.762 122.056 121.223 0.119 0.000 2.468 348 L HA 0.050 4.385 4.340 -0.007 0.000 0.253 348 L C 1.866 178.809 176.870 0.122 0.000 1.237 348 L CA 0.124 55.077 54.840 0.187 0.000 0.823 348 L CB 0.362 42.541 42.059 0.200 0.000 1.124 348 L HN 0.555 nan 8.230 nan 0.000 0.504 349 A N 1.418 124.286 122.820 0.081 0.000 1.873 349 A HA -0.183 4.132 4.320 -0.007 0.000 0.218 349 A C 2.060 179.666 177.584 0.037 0.000 1.193 349 A CA 2.128 54.116 52.037 -0.081 0.000 0.629 349 A CB -1.565 17.261 19.000 -0.291 0.000 0.826 349 A HN 0.997 nan 8.150 nan 0.000 0.447 350 G N 1.060 109.923 108.800 0.106 0.000 2.739 350 G HA2 -0.321 3.634 3.960 -0.007 0.000 0.216 350 G HA3 -0.321 3.634 3.960 -0.007 0.000 0.216 350 G C 0.772 175.688 174.900 0.027 0.000 1.298 350 G CA 1.122 46.277 45.100 0.092 0.000 0.804 350 G HN 0.710 nan 8.290 nan 0.000 0.623 351 D N 0.413 120.862 120.400 0.082 0.000 2.826 351 D HA 0.162 4.798 4.640 -0.007 0.000 0.247 351 D C 0.896 177.222 176.300 0.044 0.000 1.238 351 D CA 0.015 54.060 54.000 0.075 0.000 0.894 351 D CB 0.879 41.729 40.800 0.084 0.000 1.100 351 D HN 0.202 nan 8.370 nan 0.000 0.453 352 L N -1.572 119.665 121.223 0.024 0.000 3.503 352 L HA 0.262 4.597 4.340 -0.007 0.000 0.327 352 L C 0.859 177.733 176.870 0.007 0.000 1.108 352 L CA -0.004 54.844 54.840 0.014 0.000 1.214 352 L CB 0.028 42.099 42.059 0.021 0.000 1.806 352 L HN -0.017 nan 8.230 nan 0.000 0.610 353 F N 0.212 120.013 119.950 -0.249 0.000 2.664 353 F HA 0.309 4.832 4.527 -0.007 0.000 0.296 353 F C 2.061 177.624 175.800 -0.395 0.000 1.125 353 F CA 0.915 58.681 58.000 -0.389 0.000 1.444 353 F CB 0.145 38.792 39.000 -0.588 0.000 1.114 353 F HN 0.069 nan 8.300 nan 0.000 0.576 354 A N -1.334 121.390 122.820 -0.160 0.000 1.975 354 A HA -0.027 4.288 4.320 -0.007 0.000 0.215 354 A C 2.330 179.975 177.584 0.102 0.000 1.170 354 A CA 1.499 53.600 52.037 0.107 0.000 0.656 354 A CB -0.771 18.367 19.000 0.229 0.000 0.821 354 A HN 0.266 nan 8.150 nan 0.000 0.449 355 S N -0.294 115.414 115.700 0.013 0.000 2.357 355 S HA -0.102 4.363 4.470 -0.007 0.000 0.221 355 S C 1.891 176.456 174.600 -0.059 0.000 1.031 355 S CA 1.300 59.490 58.200 -0.017 0.000 0.982 355 S CB -0.417 62.755 63.200 -0.048 0.000 0.853 355 S HN 0.540 nan 8.310 nan 0.000 0.458 356 L N 0.881 122.037 121.223 -0.113 0.000 2.012 356 L HA -0.073 4.263 4.340 -0.007 0.000 0.210 356 L C 2.011 178.800 176.870 -0.136 0.000 1.073 356 L CA 1.753 56.488 54.840 -0.175 0.000 0.748 356 L CB -0.579 41.312 42.059 -0.280 0.000 0.891 356 L HN 0.302 nan 8.230 nan 0.000 0.431 357 F N 0.154 119.960 119.950 -0.239 0.000 2.102 357 F HA -0.212 4.311 4.527 -0.007 0.000 0.298 357 F C 2.709 178.505 175.800 -0.006 0.000 1.105 357 F CA 1.780 59.702 58.000 -0.130 0.000 1.239 357 F CB -0.264 38.709 39.000 -0.044 0.000 0.991 357 F HN 0.009 nan 8.300 nan 0.000 0.474 358 R N -0.186 120.399 120.500 0.142 0.000 2.115 358 R HA -0.228 4.108 4.340 -0.007 0.000 0.239 358 R C 2.339 178.639 176.300 0.001 0.000 1.133 358 R CA 2.163 58.333 56.100 0.117 0.000 0.935 358 R CB -1.078 29.284 30.300 0.103 0.000 0.853 358 R HN 0.358 nan 8.270 nan 0.000 0.433 359 V N 0.565 120.434 119.914 -0.076 0.000 2.358 359 V HA -0.190 3.926 4.120 -0.007 0.000 0.246 359 V C 2.229 178.248 176.094 -0.125 0.000 1.047 359 V CA 2.031 64.260 62.300 -0.118 0.000 1.035 359 V CB -0.413 31.295 31.823 -0.192 0.000 0.658 359 V HN 0.545 nan 8.190 nan 0.000 0.452 360 A N -0.960 121.760 122.820 -0.167 0.000 1.986 360 A HA -0.279 4.036 4.320 -0.007 0.000 0.220 360 A C 2.117 179.610 177.584 -0.152 0.000 1.171 360 A CA 2.392 54.323 52.037 -0.178 0.000 0.640 360 A CB -0.818 18.026 19.000 -0.260 0.000 0.811 360 A HN 0.747 nan 8.150 nan 0.000 0.451 361 F N -0.780 118.934 119.950 -0.393 0.000 2.698 361 F HA 0.185 4.708 4.527 -0.007 0.000 0.295 361 F C 1.909 177.678 175.800 -0.053 0.000 1.124 361 F CA 0.972 58.798 58.000 -0.289 0.000 1.426 361 F CB 0.181 38.865 39.000 -0.526 0.000 1.120 361 F HN 0.105 nan 8.300 nan 0.000 0.583 362 K N 0.943 121.231 120.400 -0.187 0.000 2.062 362 K HA 0.027 4.342 4.320 -0.007 0.000 0.205 362 K C 2.083 178.567 176.600 -0.194 0.000 1.051 362 K CA 1.381 57.536 56.287 -0.219 0.000 0.941 362 K CB -0.460 31.970 32.500 -0.116 0.000 0.719 362 K HN 0.222 nan 8.250 nan 0.000 0.440 363 A N -0.492 122.262 122.820 -0.111 0.000 2.066 363 A HA -0.043 4.273 4.320 -0.007 0.000 0.218 363 A C 1.947 179.511 177.584 -0.034 0.000 1.157 363 A CA 0.812 52.811 52.037 -0.063 0.000 0.670 363 A CB -0.669 18.319 19.000 -0.020 0.000 0.804 363 A HN 0.453 nan 8.150 nan 0.000 0.453 364 F N 0.262 120.089 119.950 -0.204 0.000 2.206 364 F HA -0.064 4.459 4.527 -0.007 0.000 0.298 364 F C 2.050 177.710 175.800 -0.234 0.000 1.090 364 F CA 1.566 59.456 58.000 -0.183 0.000 1.323 364 F CB -0.199 38.710 39.000 -0.152 0.000 1.028 364 F HN 0.014 nan 8.300 nan 0.000 0.492 365 V N 0.943 120.551 119.914 -0.510 0.000 2.307 365 V HA -0.285 3.831 4.120 -0.007 0.000 0.245 365 V C 2.542 178.440 176.094 -0.326 0.000 1.045 365 V CA 2.211 64.197 62.300 -0.524 0.000 1.024 365 V CB -0.717 30.796 31.823 -0.517 0.000 0.651 365 V HN 0.293 nan 8.190 nan 0.000 0.449 366 K N 0.084 120.346 120.400 -0.229 0.000 2.063 366 K HA -0.290 4.026 4.320 -0.007 0.000 0.208 366 K C 1.851 178.401 176.600 -0.084 0.000 1.048 366 K CA 2.248 58.457 56.287 -0.130 0.000 0.928 366 K CB -0.247 32.194 32.500 -0.099 0.000 0.713 366 K HN 0.569 nan 8.250 nan 0.000 0.442 367 D N -0.153 120.183 120.400 -0.106 0.000 2.323 367 D HA -0.116 4.520 4.640 -0.007 0.000 0.209 367 D C 1.719 177.962 176.300 -0.095 0.000 0.973 367 D CA 0.270 54.255 54.000 -0.024 0.000 0.874 367 D CB 0.182 40.979 40.800 -0.004 0.000 0.930 367 D HN 0.143 nan 8.370 nan 0.000 0.521 368 L N 0.024 121.091 121.223 -0.261 0.000 2.095 368 L HA 0.052 4.387 4.340 -0.007 0.000 0.204 368 L C 2.100 178.874 176.870 -0.160 0.000 1.080 368 L CA 1.635 56.310 54.840 -0.276 0.000 0.759 368 L CB -1.000 40.782 42.059 -0.462 0.000 0.914 368 L HN 0.000 nan 8.230 nan 0.000 0.439 369 T N -1.176 113.302 114.554 -0.127 0.000 2.674 369 T HA -0.275 4.071 4.350 -0.007 0.000 0.265 369 T C 1.734 176.428 174.700 -0.009 0.000 1.039 369 T CA 2.032 64.093 62.100 -0.065 0.000 1.150 369 T CB -0.731 68.107 68.868 -0.051 0.000 0.864 369 T HN 0.448 nan 8.240 nan 0.000 0.427 370 Y N 1.761 122.007 120.300 -0.090 0.000 2.274 370 Y HA -0.123 4.422 4.550 -0.007 0.000 0.290 370 Y C 2.537 178.402 175.900 -0.059 0.000 1.145 370 Y CA 1.295 59.356 58.100 -0.065 0.000 1.203 370 Y CB -0.410 38.015 38.460 -0.059 0.000 0.984 370 Y HN 0.114 nan 8.280 nan 0.000 0.533 371 Q N -0.100 119.562 119.800 -0.229 0.000 2.245 371 Q HA 0.002 4.337 4.340 -0.007 0.000 0.201 371 Q C 1.905 177.776 176.000 -0.215 0.000 0.955 371 Q CA 1.338 56.969 55.803 -0.286 0.000 0.870 371 Q CB -0.136 28.511 28.738 -0.152 0.000 0.945 371 Q HN 0.621 nan 8.270 nan 0.000 0.461 372 L N -0.665 120.465 121.223 -0.155 0.000 2.127 372 L HA -0.006 4.330 4.340 -0.007 0.000 0.203 372 L C 2.227 179.033 176.870 -0.107 0.000 1.080 372 L CA 0.935 55.709 54.840 -0.110 0.000 0.768 372 L CB -0.204 41.806 42.059 -0.081 0.000 0.924 372 L HN 0.234 nan 8.230 nan 0.000 0.444 373 E N 0.386 120.519 120.200 -0.110 0.000 2.006 373 E HA -0.183 4.163 4.350 -0.007 0.000 0.192 373 E C 0.732 177.275 176.600 -0.096 0.000 0.993 373 E CA 0.934 57.288 56.400 -0.075 0.000 0.808 373 E CB 0.296 29.980 29.700 -0.028 0.000 0.764 373 E HN -0.088 nan 8.360 nan 0.000 0.449 374 K N -0.053 120.245 120.400 -0.169 0.000 2.502 374 K HA 0.173 4.488 4.320 -0.007 0.000 0.244 374 K C -0.564 175.923 176.600 -0.187 0.000 1.249 374 K CA 0.049 56.237 56.287 -0.165 0.000 1.193 374 K CB 0.127 32.522 32.500 -0.175 0.000 1.674 374 K HN -0.001 nan 8.250 nan 0.000 0.302 375 S N -0.005 115.619 115.700 -0.125 0.000 5.323 375 S HA 0.065 4.530 4.470 -0.007 0.000 0.152 375 S C 0.160 174.719 174.600 -0.067 0.000 1.116 375 S CA -0.333 57.803 58.200 -0.106 0.000 1.363 375 S CB -0.070 63.052 63.200 -0.130 0.000 1.891 375 S HN 0.300 nan 8.310 nan 0.000 0.543 376 K N 3.446 123.810 120.400 -0.060 0.000 2.611 376 K HA 0.118 4.433 4.320 -0.007 0.000 0.193 376 K C 1.340 177.920 176.600 -0.033 0.000 1.026 376 K CA 0.607 56.870 56.287 -0.040 0.000 1.063 376 K CB -0.746 31.734 32.500 -0.035 0.000 0.839 376 K HN 0.582 nan 8.250 nan 0.000 0.505 377 V N -1.270 118.622 119.914 -0.038 0.000 3.546 377 V HA -0.022 4.094 4.120 -0.007 0.000 0.272 377 V C 0.386 176.467 176.094 -0.022 0.000 1.228 377 V CA 0.384 62.666 62.300 -0.029 0.000 1.184 377 V CB -1.116 30.689 31.823 -0.031 0.000 0.886 377 V HN 0.112 nan 8.190 nan 0.000 0.508 378 R N 0.408 120.895 120.500 -0.022 0.000 2.502 378 R HA 0.570 4.906 4.340 -0.007 0.000 0.300 378 R C 0.452 176.744 176.300 -0.014 0.000 0.984 378 R CA -0.152 55.938 56.100 -0.016 0.000 0.882 378 R CB 1.894 32.184 30.300 -0.016 0.000 1.180 378 R HN 0.317 nan 8.270 nan 0.000 0.444 379 G N 2.432 111.226 108.800 -0.010 0.000 2.852 379 G HA2 0.030 3.986 3.960 -0.007 0.000 0.280 379 G HA3 0.030 3.986 3.960 -0.007 0.000 0.280 379 G C 0.341 175.238 174.900 -0.006 0.000 0.731 379 G CA 0.129 45.224 45.100 -0.008 0.000 2.037 379 G HN 0.607 nan 8.290 nan 0.000 0.560 380 R N 0.532 121.028 120.500 -0.007 0.000 5.324 380 R HA 0.188 4.524 4.340 -0.007 0.000 0.103 380 R C 0.500 176.798 176.300 -0.003 0.000 0.980 380 R CA -0.258 55.839 56.100 -0.004 0.000 0.877 380 R CB 0.164 30.461 30.300 -0.005 0.000 1.354 380 R HN 0.299 nan 8.270 nan 0.000 0.391 381 K N 0.696 121.093 120.400 -0.004 0.000 2.583 381 K HA 0.319 4.635 4.320 -0.007 0.000 0.266 381 K C 0.433 177.033 176.600 -0.000 0.000 1.037 381 K CA 0.258 56.544 56.287 -0.001 0.000 0.996 381 K CB 0.445 32.944 32.500 -0.002 0.000 1.307 381 K HN 0.382 nan 8.250 nan 0.000 0.502 382 L N -3.730 117.496 121.223 0.004 0.000 4.241 382 L HA 0.403 4.738 4.340 -0.007 0.000 0.426 382 L C -0.383 176.497 176.870 0.017 0.000 1.173 382 L CA -0.607 54.238 54.840 0.008 0.000 1.461 382 L CB 0.352 42.417 42.059 0.010 0.000 1.481 382 L HN 0.398 nan 8.230 nan 0.000 0.591 383 A N 1.273 124.104 122.820 0.018 0.000 2.752 383 A HA 0.320 4.636 4.320 -0.007 0.000 0.292 383 A C 1.242 178.849 177.584 0.038 0.000 1.597 383 A CA -0.025 52.030 52.037 0.030 0.000 1.241 383 A CB -0.342 18.673 19.000 0.025 0.000 1.061 383 A HN 0.589 nan 8.150 nan 0.000 0.576 384 L N 1.333 122.588 121.223 0.052 0.000 2.275 384 L HA -0.157 4.178 4.340 -0.007 0.000 0.215 384 L C 2.570 179.497 176.870 0.094 0.000 1.119 384 L CA 1.534 56.413 54.840 0.065 0.000 0.790 384 L CB -0.188 41.918 42.059 0.079 0.000 0.919 384 L HN 0.843 nan 8.230 nan 0.000 0.443 385 K N 0.463 120.924 120.400 0.101 0.000 2.057 385 K HA -0.151 4.165 4.320 -0.007 0.000 0.206 385 K C 1.902 178.557 176.600 0.092 0.000 1.050 385 K CA 1.321 57.680 56.287 0.119 0.000 0.935 385 K CB -0.053 32.513 32.500 0.111 0.000 0.715 385 K HN 0.263 nan 8.250 nan 0.000 0.439 386 A N 0.286 123.143 122.820 0.062 0.000 2.235 386 A HA 0.066 4.382 4.320 -0.007 0.000 0.208 386 A C 1.616 179.219 177.584 0.032 0.000 1.172 386 A CA 0.679 52.742 52.037 0.042 0.000 0.786 386 A CB -0.104 18.913 19.000 0.027 0.000 0.804 386 A HN 0.328 nan 8.150 nan 0.000 0.479 387 L N -1.595 119.649 121.223 0.034 0.000 2.685 387 L HA 0.168 4.504 4.340 -0.007 0.000 0.235 387 L C 0.174 177.056 176.870 0.020 0.000 1.070 387 L CA -0.044 54.800 54.840 0.006 0.000 0.888 387 L CB 0.496 42.541 42.059 -0.022 0.000 1.203 387 L HN 0.009 nan 8.230 nan 0.000 0.499 388 V N 2.183 122.140 119.914 0.073 0.000 2.493 388 V HA -0.013 4.103 4.120 -0.007 0.000 0.292 388 V C 0.492 176.711 176.094 0.209 0.000 1.016 388 V CA 0.344 62.736 62.300 0.154 0.000 1.097 388 V CB 0.385 32.369 31.823 0.268 0.000 0.947 388 V HN 0.260 nan 8.190 nan 0.000 0.479 389 R N 7.391 128.033 120.500 0.237 0.000 2.230 389 R HA 0.282 4.617 4.340 -0.007 0.000 0.337 389 R C -2.023 174.458 176.300 0.301 0.000 1.063 389 R CA -1.465 54.768 56.100 0.221 0.000 0.935 389 R CB 1.036 31.425 30.300 0.148 0.000 1.121 389 R HN 0.525 nan 8.270 nan 0.000 0.486 390 P HA 0.165 nan 4.420 nan 0.000 0.254 390 P C -0.650 176.658 177.300 0.013 0.000 1.494 390 P CA 0.160 63.312 63.100 0.086 0.000 0.961 390 P CB 0.565 32.406 31.700 0.234 0.000 1.493 391 D N -1.017 119.417 120.400 0.055 0.000 2.455 391 D HA 0.056 4.692 4.640 -0.007 0.000 0.228 391 D C 1.875 178.181 176.300 0.009 0.000 1.070 391 D CA -0.112 53.907 54.000 0.032 0.000 0.881 391 D CB -0.010 40.822 40.800 0.052 0.000 1.087 391 D HN -0.110 nan 8.370 nan 0.000 0.498 392 I N 1.235 121.828 120.570 0.037 0.000 2.236 392 I HA -0.210 3.956 4.170 -0.007 0.000 0.249 392 I C 2.088 178.190 176.117 -0.026 0.000 1.102 392 I CA 1.201 62.522 61.300 0.035 0.000 1.365 392 I CB -0.897 37.164 38.000 0.102 0.000 1.051 392 I HN 0.012 nan 8.210 nan 0.000 0.420 393 V N -0.033 119.819 119.914 -0.104 0.000 2.591 393 V HA -0.149 3.967 4.120 -0.007 0.000 0.249 393 V C 2.351 178.376 176.094 -0.115 0.000 1.053 393 V CA 1.839 64.027 62.300 -0.186 0.000 1.068 393 V CB -1.195 30.411 31.823 -0.361 0.000 0.689 393 V HN 0.409 nan 8.190 nan 0.000 0.462 394 T N -0.789 113.719 114.554 -0.078 0.000 2.781 394 T HA -0.059 4.286 4.350 -0.007 0.000 0.252 394 T C 1.885 176.600 174.700 0.027 0.000 1.039 394 T CA 0.884 62.970 62.100 -0.023 0.000 1.147 394 T CB -0.169 68.696 68.868 -0.004 0.000 0.865 394 T HN 0.314 nan 8.240 nan 0.000 0.423 395 E N 1.123 121.342 120.200 0.031 0.000 2.106 395 E HA -0.064 4.282 4.350 -0.007 0.000 0.192 395 E C 2.338 178.985 176.600 0.079 0.000 0.984 395 E CA 0.723 57.157 56.400 0.056 0.000 0.806 395 E CB -0.152 29.538 29.700 -0.015 0.000 0.750 395 E HN 0.320 nan 8.360 nan 0.000 0.458 396 R N 0.343 120.871 120.500 0.047 0.000 2.189 396 R HA 0.011 4.347 4.340 -0.007 0.000 0.218 396 R C 2.246 178.583 176.300 0.061 0.000 1.074 396 R CA 0.420 56.565 56.100 0.074 0.000 0.991 396 R CB -0.050 30.288 30.300 0.064 0.000 0.883 396 R HN 0.114 nan 8.270 nan 0.000 0.457 397 I N 0.632 121.213 120.570 0.019 0.000 2.716 397 I HA -0.167 3.999 4.170 -0.007 0.000 0.259 397 I C 2.214 178.341 176.117 0.015 0.000 1.172 397 I CA 0.771 62.055 61.300 -0.026 0.000 1.478 397 I CB 0.107 38.075 38.000 -0.052 0.000 1.104 397 I HN 0.200 nan 8.210 nan 0.000 0.439 398 R N -1.317 119.228 120.500 0.076 0.000 2.128 398 R HA 0.004 4.340 4.340 -0.007 0.000 0.211 398 R C 1.586 177.917 176.300 0.050 0.000 1.067 398 R CA 0.882 57.027 56.100 0.076 0.000 1.010 398 R CB -0.605 29.762 30.300 0.111 0.000 0.922 398 R HN 0.234 nan 8.270 nan 0.000 0.457 399 H N 0.182 119.266 119.070 0.024 0.000 2.547 399 H HA 0.369 4.921 4.556 -0.007 0.000 0.266 399 H C -0.023 175.327 175.328 0.036 0.000 0.988 399 H CA 0.734 56.796 56.048 0.024 0.000 1.147 399 H CB 0.863 30.636 29.762 0.018 0.000 1.365 399 H HN 0.443 nan 8.280 nan 0.000 0.589 400 A N 0.102 122.994 122.820 0.119 0.000 2.959 400 A HA 0.402 4.718 4.320 -0.007 0.000 0.280 400 A C 0.482 178.087 177.584 0.035 0.000 0.953 400 A CA -0.162 51.939 52.037 0.108 0.000 1.047 400 A CB -0.118 18.992 19.000 0.184 0.000 1.147 400 A HN 0.342 nan 8.150 nan 0.000 0.489 401 L N -2.491 118.730 121.223 -0.003 0.000 3.610 401 L HA 0.437 4.772 4.340 -0.007 0.000 0.362 401 L C 1.729 178.567 176.870 -0.054 0.000 1.003 401 L CA 1.451 56.262 54.840 -0.049 0.000 1.443 401 L CB -0.119 41.900 42.059 -0.067 0.000 2.184 401 L HN 0.238 nan 8.230 nan 0.000 0.613 402 A N -1.357 121.425 122.820 -0.064 0.000 2.030 402 A HA 0.061 4.377 4.320 -0.007 0.000 0.215 402 A C 1.935 179.485 177.584 -0.057 0.000 1.164 402 A CA 1.506 53.495 52.037 -0.080 0.000 0.697 402 A CB -0.508 18.394 19.000 -0.163 0.000 0.827 402 A HN 0.291 nan 8.150 nan 0.000 0.457 403 T N -0.635 113.898 114.554 -0.035 0.000 3.148 403 T HA 0.314 4.659 4.350 -0.007 0.000 0.253 403 T C 1.096 175.804 174.700 0.014 0.000 1.134 403 T CA 1.255 63.351 62.100 -0.006 0.000 1.051 403 T CB -0.679 68.203 68.868 0.022 0.000 0.959 403 T HN 1.504 nan 8.240 nan 0.000 0.525 404 G N 2.389 111.195 108.800 0.010 0.000 2.256 404 G HA2 -0.250 3.705 3.960 -0.007 0.000 0.272 404 G HA3 -0.250 3.705 3.960 -0.007 0.000 0.272 404 G C 0.099 175.028 174.900 0.047 0.000 1.076 404 G CA 0.285 45.398 45.100 0.022 0.000 0.882 404 G HN 0.791 nan 8.290 nan 0.000 0.497 405 N N -2.668 116.064 118.700 0.053 0.000 6.190 405 N HA -0.169 4.566 4.740 -0.007 0.000 0.396 405 N C 0.161 175.797 175.510 0.209 0.000 1.008 405 N CA 1.947 55.049 53.050 0.088 0.000 2.116 405 N CB -0.585 37.927 38.487 0.041 0.000 0.691 405 N HN 1.399 nan 8.380 nan 0.000 0.575 406 W N -0.021 121.266 121.300 -0.023 0.000 4.275 406 W HA 0.434 5.090 4.660 -0.007 0.000 0.352 406 W C 1.223 177.730 176.519 -0.020 0.000 3.340 406 W CA 1.665 59.001 57.345 -0.016 0.000 1.254 406 W CB -0.759 28.694 29.460 -0.011 0.000 1.964 406 W HN 0.672 nan 8.180 nan 0.000 0.443 407 V N 1.224 120.507 119.914 -1.050 0.000 0.620 407 V HA -0.422 3.693 4.120 -0.007 0.000 0.092 407 V C 1.629 177.323 176.094 -0.667 0.000 1.598 407 V CA 3.270 64.966 62.300 -1.008 0.000 3.316 407 V CB -2.428 29.113 31.823 -0.471 0.000 0.589 407 V HN 1.224 nan 8.190 nan 0.000 0.601 408 G N -0.350 108.250 108.800 -0.334 0.000 2.564 408 G HA2 0.308 4.264 3.960 -0.007 0.000 0.216 408 G HA3 0.308 4.264 3.960 -0.007 0.000 0.216 408 G C 1.529 176.351 174.900 -0.130 0.000 1.124 408 G CA 1.876 46.866 45.100 -0.184 0.000 0.764 408 G HN 2.276 nan 8.290 nan 0.000 0.550 409 G N -0.867 107.844 108.800 -0.148 0.000 2.284 409 G HA2 -0.269 3.687 3.960 -0.007 0.000 0.230 409 G HA3 -0.269 3.687 3.960 -0.007 0.000 0.230 409 G C 0.769 175.750 174.900 0.134 0.000 1.021 409 G CA 0.412 45.536 45.100 0.041 0.000 0.619 409 G HN 0.652 nan 8.290 nan 0.000 0.510 410 R N 0.435 120.981 120.500 0.077 0.000 2.574 410 R HA 0.784 5.120 4.340 -0.007 0.000 0.266 410 R C 0.667 177.045 176.300 0.129 0.000 1.157 410 R CA 0.712 56.865 56.100 0.088 0.000 1.187 410 R CB 0.575 30.903 30.300 0.047 0.000 1.179 410 R HN 0.341 nan 8.270 nan 0.000 0.600 411 T N -2.414 112.196 114.554 0.093 0.000 2.812 411 T HA 0.481 4.827 4.350 -0.007 0.000 0.294 411 T C -0.406 174.330 174.700 0.059 0.000 1.159 411 T CA -0.134 62.019 62.100 0.088 0.000 1.008 411 T CB 1.174 70.087 68.868 0.076 0.000 1.289 411 T HN 0.797 nan 8.240 nan 0.000 0.514 412 G N 0.840 109.670 108.800 0.051 0.000 2.314 412 G HA2 -0.179 3.777 3.960 -0.007 0.000 0.292 412 G HA3 -0.179 3.777 3.960 -0.007 0.000 0.292 412 G C 0.620 175.544 174.900 0.039 0.000 1.059 412 G CA 0.544 45.669 45.100 0.041 0.000 0.982 412 G HN 0.855 nan 8.290 nan 0.000 0.505 413 V N 0.120 120.054 119.914 0.032 0.000 2.403 413 V HA 0.170 4.285 4.120 -0.007 0.000 0.239 413 V C 1.791 177.883 176.094 -0.002 0.000 1.041 413 V CA 1.931 64.241 62.300 0.018 0.000 1.051 413 V CB 0.193 32.023 31.823 0.011 0.000 0.704 413 V HN 1.057 nan 8.190 nan 0.000 0.472 414 S N 2.648 118.341 115.700 -0.012 0.000 2.420 414 S HA 0.579 5.044 4.470 -0.007 0.000 0.313 414 S C -0.381 174.213 174.600 -0.011 0.000 1.079 414 S CA -0.737 57.444 58.200 -0.031 0.000 1.104 414 S CB 0.958 64.124 63.200 -0.057 0.000 0.969 414 S HN 0.578 nan 8.310 nan 0.000 0.471 415 Q N 2.506 122.301 119.800 -0.008 0.000 2.385 415 Q HA 0.615 4.951 4.340 -0.007 0.000 0.262 415 Q C -0.875 175.135 176.000 0.018 0.000 1.050 415 Q CA -1.233 54.588 55.803 0.029 0.000 0.903 415 Q CB 0.851 29.650 28.738 0.101 0.000 1.325 415 Q HN 0.569 nan 8.270 nan 0.000 0.485 416 L N 1.841 123.096 121.223 0.052 0.000 2.418 416 L HA 0.169 4.505 4.340 -0.007 0.000 0.274 416 L C -0.467 176.451 176.870 0.079 0.000 1.135 416 L CA -0.280 54.579 54.840 0.031 0.000 0.870 416 L CB 0.435 42.501 42.059 0.012 0.000 1.154 416 L HN 0.659 nan 8.230 nan 0.000 0.462 417 L N 4.883 126.087 121.223 -0.033 0.000 2.543 417 L HA -0.003 4.333 4.340 -0.007 0.000 0.285 417 L C 0.227 177.106 176.870 0.014 0.000 1.236 417 L CA 0.913 55.725 54.840 -0.047 0.000 0.871 417 L CB 0.094 41.955 42.059 -0.331 0.000 1.121 417 L HN 0.619 nan 8.230 nan 0.000 0.501 418 D N 3.654 124.111 120.400 0.095 0.000 2.499 418 D HA 0.163 4.798 4.640 -0.007 0.000 0.225 418 D C 0.216 176.448 176.300 -0.114 0.000 1.124 418 D CA -0.370 53.595 54.000 -0.058 0.000 0.938 418 D CB 0.500 41.195 40.800 -0.176 0.000 1.014 418 D HN 0.389 nan 8.370 nan 0.000 0.517 419 R N 0.427 120.842 120.500 -0.142 0.000 2.449 419 R HA 0.113 4.449 4.340 -0.007 0.000 0.262 419 R C 0.198 176.347 176.300 -0.251 0.000 1.006 419 R CA 0.001 56.020 56.100 -0.136 0.000 1.104 419 R CB -0.013 30.226 30.300 -0.102 0.000 1.206 419 R HN 0.083 nan 8.270 nan 0.000 0.538 420 T N 2.686 117.099 114.554 -0.236 0.000 3.462 420 T HA 0.097 4.442 4.350 -0.007 0.000 0.257 420 T C -0.391 174.230 174.700 -0.131 0.000 1.015 420 T CA -0.063 61.884 62.100 -0.255 0.000 1.135 420 T CB -1.155 67.485 68.868 -0.380 0.000 1.061 420 T HN 0.630 nan 8.240 nan 0.000 0.772 421 N N 0.725 119.409 118.700 -0.028 0.000 5.131 421 N HA -0.227 4.509 4.740 -0.007 0.000 0.362 421 N C -0.102 175.504 175.510 0.160 0.000 1.524 421 N CA 0.412 53.528 53.050 0.110 0.000 2.717 421 N CB -1.008 37.507 38.487 0.045 0.000 0.499 421 N HN 0.494 nan 8.380 nan 0.000 0.748 422 W N 1.612 122.919 121.300 0.011 0.000 2.519 422 W HA 0.220 4.876 4.660 -0.006 0.000 0.266 422 W C 1.960 178.479 176.519 0.001 0.000 1.253 422 W CA 1.065 58.412 57.345 0.003 0.000 1.274 422 W CB -0.223 29.220 29.460 -0.030 0.000 1.114 422 W HN 0.623 nan 8.180 nan 0.000 0.596 423 L N 0.306 121.615 121.223 0.143 0.000 2.156 423 L HA -0.071 4.265 4.340 -0.007 0.000 0.208 423 L C 2.515 179.355 176.870 -0.051 0.000 1.095 423 L CA 2.458 57.337 54.840 0.065 0.000 0.770 423 L CB -1.253 40.937 42.059 0.218 0.000 0.914 423 L HN -0.061 nan 8.230 nan 0.000 0.439 424 S N -0.822 114.850 115.700 -0.048 0.000 2.399 424 S HA -0.233 4.233 4.470 -0.007 0.000 0.231 424 S C 2.063 176.595 174.600 -0.113 0.000 1.022 424 S CA 1.708 59.856 58.200 -0.086 0.000 0.983 424 S CB -0.411 62.730 63.200 -0.099 0.000 0.803 424 S HN 0.626 nan 8.310 nan 0.000 0.480 425 M N -0.022 119.487 119.600 -0.152 0.000 2.287 425 M HA 0.084 4.560 4.480 -0.007 0.000 0.266 425 M C 2.017 178.213 176.300 -0.173 0.000 1.079 425 M CA 1.108 56.316 55.300 -0.153 0.000 1.146 425 M CB -0.296 32.155 32.600 -0.248 0.000 1.374 425 M HN 0.409 nan 8.290 nan 0.000 0.435 426 L N 0.222 121.267 121.223 -0.296 0.000 2.046 426 L HA -0.199 4.137 4.340 -0.007 0.000 0.208 426 L C 2.763 179.569 176.870 -0.106 0.000 1.077 426 L CA 1.872 56.552 54.840 -0.267 0.000 0.747 426 L CB -0.363 41.471 42.059 -0.376 0.000 0.896 426 L HN 0.475 nan 8.230 nan 0.000 0.432 427 S N -1.589 114.072 115.700 -0.066 0.000 2.382 427 S HA -0.300 4.165 4.470 -0.007 0.000 0.228 427 S C 2.001 176.628 174.600 0.044 0.000 1.027 427 S CA 1.488 59.679 58.200 -0.015 0.000 0.991 427 S CB -0.486 62.699 63.200 -0.024 0.000 0.823 427 S HN 0.629 nan 8.310 nan 0.000 0.469 428 H N 0.245 119.280 119.070 -0.059 0.000 2.319 428 H HA -0.035 4.517 4.556 -0.007 0.000 0.297 428 H C 1.800 177.132 175.328 0.006 0.000 1.097 428 H CA 1.811 57.841 56.048 -0.030 0.000 1.285 428 H CB -0.138 29.592 29.762 -0.054 0.000 1.368 428 H HN 0.358 nan 8.280 nan 0.000 0.495 429 L N 0.129 121.416 121.223 0.106 0.000 2.549 429 L HA -0.073 4.263 4.340 -0.007 0.000 0.229 429 L C 1.707 178.532 176.870 -0.075 0.000 1.158 429 L CA 0.808 55.662 54.840 0.023 0.000 0.842 429 L CB 0.045 42.095 42.059 -0.016 0.000 0.952 429 L HN 0.250 nan 8.230 nan 0.000 0.452 430 R N -1.261 119.234 120.500 -0.007 0.000 2.476 430 R HA 0.217 4.553 4.340 -0.007 0.000 0.276 430 R C 0.473 176.787 176.300 0.023 0.000 0.941 430 R CA -0.296 55.792 56.100 -0.019 0.000 1.088 430 R CB 0.601 30.898 30.300 -0.005 0.000 1.216 430 R HN 0.209 nan 8.270 nan 0.000 0.533 431 R N 1.271 121.814 120.500 0.071 0.000 2.615 431 R HA 0.249 4.585 4.340 -0.007 0.000 0.270 431 R C 0.051 176.411 176.300 0.101 0.000 1.081 431 R CA -0.051 56.102 56.100 0.089 0.000 1.154 431 R CB 1.196 31.576 30.300 0.133 0.000 1.063 431 R HN -0.077 nan 8.270 nan 0.000 0.519 432 V N -0.575 119.394 119.914 0.090 0.000 3.130 432 V HA 0.722 4.837 4.120 -0.007 0.000 0.310 432 V C -0.701 175.446 176.094 0.088 0.000 1.158 432 V CA -0.877 61.482 62.300 0.098 0.000 1.029 432 V CB 2.203 34.082 31.823 0.094 0.000 1.057 432 V HN 0.656 nan 8.190 nan 0.000 0.436 433 I N 2.024 122.643 120.570 0.083 0.000 2.722 433 I HA 0.526 4.691 4.170 -0.007 0.000 0.295 433 I C 0.136 176.287 176.117 0.056 0.000 1.161 433 I CA -0.527 60.813 61.300 0.066 0.000 1.032 433 I CB 2.717 40.755 38.000 0.064 0.000 1.244 433 I HN 1.028 nan 8.210 nan 0.000 0.421 434 S N 2.584 118.310 115.700 0.043 0.000 2.580 434 S HA 0.137 4.602 4.470 -0.007 0.000 0.274 434 S C 0.863 175.478 174.600 0.025 0.000 1.329 434 S CA -0.243 57.975 58.200 0.029 0.000 1.036 434 S CB 1.712 64.923 63.200 0.018 0.000 0.919 434 S HN 0.666 nan 8.310 nan 0.000 0.515 435 S N 1.601 117.312 115.700 0.018 0.000 2.414 435 S HA 0.189 4.654 4.470 -0.007 0.000 0.227 435 S C 0.454 175.065 174.600 0.018 0.000 1.022 435 S CA 0.114 58.325 58.200 0.018 0.000 0.958 435 S CB -0.604 62.603 63.200 0.011 0.000 0.797 435 S HN 0.709 nan 8.310 nan 0.000 0.493 436 L N 0.186 121.418 121.223 0.014 0.000 2.455 436 L HA 0.745 5.081 4.340 -0.007 0.000 0.264 436 L C -0.587 176.291 176.870 0.012 0.000 0.968 436 L CA 0.076 54.926 54.840 0.016 0.000 0.827 436 L CB 1.339 43.408 42.059 0.017 0.000 1.317 436 L HN 0.213 nan 8.230 nan 0.000 0.407 437 A N 4.301 127.128 122.820 0.012 0.000 3.117 437 A HA 0.620 4.935 4.320 -0.007 0.000 0.158 437 A C -0.268 177.321 177.584 0.008 0.000 1.138 437 A CA -0.087 51.952 52.037 0.005 0.000 2.059 437 A CB 0.440 19.437 19.000 -0.005 0.000 2.607 437 A HN 0.725 nan 8.150 nan 0.000 1.059 438 R N -1.124 119.377 120.500 0.003 0.000 2.168 438 R HA -0.081 4.255 4.340 -0.007 0.000 0.364 438 R C 0.970 177.275 176.300 0.008 0.000 1.103 438 R CA 1.102 57.206 56.100 0.006 0.000 0.832 438 R CB -1.623 28.686 30.300 0.014 0.000 2.561 438 R HN 2.883 nan 8.270 nan 0.000 0.484 439 G N 1.568 110.369 108.800 0.001 0.000 2.562 439 G HA2 -0.417 3.538 3.960 -0.007 0.000 0.241 439 G HA3 -0.417 3.538 3.960 -0.007 0.000 0.241 439 G C 0.116 175.026 174.900 0.017 0.000 1.120 439 G CA 0.672 45.777 45.100 0.009 0.000 0.673 439 G HN 0.632 nan 8.290 nan 0.000 0.519 440 Q N 1.477 121.289 119.800 0.020 0.000 2.431 440 Q HA 0.061 4.397 4.340 -0.007 0.000 0.349 440 Q C -1.837 174.198 176.000 0.057 0.000 1.119 440 Q CA 0.240 56.066 55.803 0.039 0.000 1.065 440 Q CB 0.185 28.941 28.738 0.031 0.000 1.149 440 Q HN 0.446 nan 8.270 nan 0.000 0.403 441 P HA -0.028 nan 4.420 nan 0.000 0.235 441 P C -0.865 176.630 177.300 0.324 0.000 1.720 441 P CA 0.258 63.553 63.100 0.325 0.000 1.003 441 P CB -0.740 31.129 31.700 0.281 0.000 1.968 442 N N 1.127 119.843 118.700 0.028 0.000 2.602 442 N HA 0.199 4.934 4.740 -0.007 0.000 0.238 442 N C -0.018 175.382 175.510 -0.183 0.000 1.084 442 N CA -0.418 52.618 53.050 -0.024 0.000 0.952 442 N CB 0.045 38.492 38.487 -0.067 0.000 1.244 442 N HN 0.203 nan 8.380 nan 0.000 0.512 443 F N -0.072 119.895 119.950 0.029 0.000 2.789 443 F HA 0.205 4.727 4.527 -0.007 0.000 0.320 443 F C 2.047 177.869 175.800 0.038 0.000 1.079 443 F CA -0.180 57.838 58.000 0.030 0.000 1.205 443 F CB 0.503 39.518 39.000 0.025 0.000 1.046 443 F HN 0.275 nan 8.300 nan 0.000 0.586 444 E N 0.863 121.195 120.200 0.220 0.000 2.158 444 E HA 0.035 4.381 4.350 -0.007 0.000 0.191 444 E C 2.143 178.821 176.600 0.129 0.000 0.982 444 E CA 1.158 57.651 56.400 0.154 0.000 0.823 444 E CB 0.018 29.795 29.700 0.128 0.000 0.766 444 E HN 0.236 nan 8.360 nan 0.000 0.468 445 A N -0.102 122.777 122.820 0.097 0.000 2.044 445 A HA 0.096 4.411 4.320 -0.007 0.000 0.213 445 A C 1.926 179.554 177.584 0.073 0.000 1.169 445 A CA 0.237 52.320 52.037 0.076 0.000 0.724 445 A CB -0.044 18.977 19.000 0.035 0.000 0.840 445 A HN 0.038 nan 8.150 nan 0.000 0.463 446 R N 1.144 121.674 120.500 0.050 0.000 2.073 446 R HA -0.080 4.256 4.340 -0.007 0.000 0.234 446 R C 0.040 176.373 176.300 0.056 0.000 1.134 446 R CA 1.150 57.266 56.100 0.026 0.000 0.952 446 R CB -0.489 29.794 30.300 -0.029 0.000 0.850 446 R HN 0.721 nan 8.270 nan 0.000 0.433 447 D N 1.352 121.800 120.400 0.080 0.000 2.414 447 D HA -0.061 4.574 4.640 -0.007 0.000 0.242 447 D C 0.200 176.560 176.300 0.101 0.000 1.129 447 D CA -0.037 54.013 54.000 0.083 0.000 0.885 447 D CB 0.946 41.796 40.800 0.084 0.000 1.198 447 D HN -0.012 nan 8.370 nan 0.000 0.437 448 L N 1.755 123.029 121.223 0.085 0.000 2.559 448 L HA -0.066 4.269 4.340 -0.007 0.000 0.274 448 L C 0.636 177.579 176.870 0.122 0.000 1.205 448 L CA 0.477 55.376 54.840 0.099 0.000 0.907 448 L CB 0.182 42.278 42.059 0.061 0.000 1.153 448 L HN 0.482 nan 8.230 nan 0.000 0.490 449 H N 3.493 122.612 119.070 0.081 0.000 2.463 449 H HA 0.141 4.693 4.556 -0.007 0.000 0.332 449 H C 0.859 176.229 175.328 0.070 0.000 1.127 449 H CA 0.268 56.364 56.048 0.079 0.000 1.238 449 H CB 2.089 31.917 29.762 0.111 0.000 1.478 449 H HN 0.814 nan 8.280 nan 0.000 0.499 450 G N 2.118 110.917 108.800 -0.003 0.000 2.505 450 G HA2 -0.358 3.597 3.960 -0.007 0.000 0.220 450 G HA3 -0.358 3.597 3.960 -0.007 0.000 0.220 450 G C 1.550 176.557 174.900 0.177 0.000 1.145 450 G CA 1.528 46.669 45.100 0.069 0.000 0.761 450 G HN 0.729 nan 8.290 nan 0.000 0.571 451 T N -1.273 113.448 114.554 0.279 0.000 2.929 451 T HA -0.094 4.252 4.350 -0.007 0.000 0.271 451 T C 2.087 176.836 174.700 0.082 0.000 1.085 451 T CA 1.511 63.679 62.100 0.113 0.000 1.125 451 T CB -0.307 68.511 68.868 -0.083 0.000 0.874 451 T HN 0.469 nan 8.240 nan 0.000 0.494 452 Q N -0.622 119.238 119.800 0.100 0.000 2.515 452 Q HA 0.031 4.367 4.340 -0.007 0.000 0.212 452 Q C 0.093 176.064 176.000 -0.049 0.000 0.970 452 Q CA -0.084 55.663 55.803 -0.092 0.000 0.941 452 Q CB -0.274 28.448 28.738 -0.027 0.000 0.998 452 Q HN 0.709 nan 8.270 nan 0.000 0.518 453 W N 1.520 122.763 121.300 -0.095 0.000 2.838 453 W HA 0.086 4.742 4.660 -0.007 0.000 0.412 453 W C 1.027 177.488 176.519 -0.097 0.000 1.236 453 W CA 1.662 58.955 57.345 -0.088 0.000 1.501 453 W CB -0.382 29.040 29.460 -0.064 0.000 1.617 453 W HN 0.344 nan 8.180 nan 0.000 0.496 454 G N 2.650 111.228 108.800 -0.371 0.000 2.231 454 G HA2 -0.308 3.647 3.960 -0.007 0.000 0.206 454 G HA3 -0.308 3.647 3.960 -0.007 0.000 0.206 454 G C 1.335 176.107 174.900 -0.212 0.000 0.996 454 G CA 0.222 45.123 45.100 -0.331 0.000 0.645 454 G HN 0.488 nan 8.290 nan 0.000 0.498 455 R N -1.100 119.272 120.500 -0.212 0.000 2.062 455 R HA 0.469 4.804 4.340 -0.007 0.000 0.218 455 R C 0.721 176.889 176.300 -0.219 0.000 1.161 455 R CA 0.777 56.739 56.100 -0.230 0.000 0.994 455 R CB -0.047 30.028 30.300 -0.375 0.000 0.888 455 R HN 0.339 nan 8.270 nan 0.000 0.442 456 M N 0.434 119.885 119.600 -0.248 0.000 2.363 456 M HA 0.182 4.657 4.480 -0.007 0.000 0.343 456 M C -0.567 175.633 176.300 -0.167 0.000 1.165 456 M CA -1.886 53.313 55.300 -0.168 0.000 1.046 456 M CB 1.401 33.920 32.600 -0.135 0.000 1.648 456 M HN 0.187 nan 8.290 nan 0.000 0.452 457 C N 6.469 125.691 119.300 -0.131 0.000 2.662 457 C HA 0.435 4.891 4.460 -0.007 0.000 0.420 457 C C -1.171 173.708 174.990 -0.186 0.000 1.314 457 C CA -0.900 58.020 59.018 -0.164 0.000 1.963 457 C CB 0.034 27.718 27.740 -0.094 0.000 2.686 457 C HN 0.768 nan 8.230 nan 0.000 0.609 458 P HA 0.168 nan 4.420 nan 0.000 0.255 458 P C 0.455 177.568 177.300 -0.312 0.000 1.248 458 P CA 0.705 63.590 63.100 -0.358 0.000 0.807 458 P CB -0.039 31.358 31.700 -0.506 0.000 1.150 459 F N -0.337 119.584 119.950 -0.048 0.000 2.549 459 F HA 0.236 4.758 4.527 -0.007 0.000 0.275 459 F C 1.229 176.994 175.800 -0.058 0.000 0.990 459 F CA -0.610 57.358 58.000 -0.054 0.000 1.274 459 F CB -0.917 38.049 39.000 -0.056 0.000 1.064 459 F HN -0.218 nan 8.300 nan 0.000 0.715 460 E N 2.322 122.599 120.200 0.129 0.000 1.800 460 E HA 0.126 4.472 4.350 -0.007 0.000 0.262 460 E C -0.725 175.893 176.600 0.029 0.000 1.219 460 E CA 0.380 56.815 56.400 0.059 0.000 1.051 460 E CB -0.362 29.358 29.700 0.035 0.000 1.074 460 E HN 0.114 nan 8.360 nan 0.000 0.433 461 T N 3.219 117.785 114.554 0.020 0.000 2.916 461 T HA 0.325 4.671 4.350 -0.007 0.000 0.298 461 T C -2.457 172.234 174.700 -0.015 0.000 1.031 461 T CA -1.536 60.566 62.100 0.003 0.000 0.993 461 T CB 1.876 70.745 68.868 0.002 0.000 1.045 461 T HN 0.170 nan 8.240 nan 0.000 0.454 462 P HA 0.195 nan 4.420 nan 0.000 0.267 462 P C -0.315 176.969 177.300 -0.027 0.000 1.201 462 P CA -0.069 63.023 63.100 -0.013 0.000 0.775 462 P CB 0.623 32.320 31.700 -0.005 0.000 0.854 463 E N 0.316 120.500 120.200 -0.027 0.000 2.330 463 E HA 0.581 4.926 4.350 -0.007 0.000 0.256 463 E C 0.987 177.580 176.600 -0.011 0.000 1.146 463 E CA -0.120 56.261 56.400 -0.031 0.000 0.945 463 E CB -0.133 29.552 29.700 -0.024 0.000 1.182 463 E HN 0.745 nan 8.360 nan 0.000 0.480 464 G N 0.094 108.889 108.800 -0.009 0.000 2.542 464 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.235 464 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.235 464 G C -1.956 172.928 174.900 -0.027 0.000 1.286 464 G CA -0.330 44.765 45.100 -0.009 0.000 0.904 464 G HN 0.545 nan 8.290 nan 0.000 0.577 465 P HA 0.194 nan 4.420 nan 0.000 0.253 465 P C 0.701 177.975 177.300 -0.044 0.000 1.281 465 P CA 0.819 63.891 63.100 -0.047 0.000 0.792 465 P CB -0.239 31.440 31.700 -0.035 0.000 1.193 466 N N -1.468 117.214 118.700 -0.030 0.000 2.187 466 N HA 0.096 4.832 4.740 -0.007 0.000 0.212 466 N C -0.119 175.378 175.510 -0.022 0.000 1.152 466 N CA -0.113 52.924 53.050 -0.021 0.000 0.872 466 N CB 0.253 38.736 38.487 -0.007 0.000 1.025 466 N HN -0.099 nan 8.380 nan 0.000 0.514 467 S N -0.325 115.355 115.700 -0.034 0.000 2.525 467 S HA 0.238 4.704 4.470 -0.007 0.000 0.285 467 S C 1.290 175.875 174.600 -0.025 0.000 1.283 467 S CA 0.879 59.060 58.200 -0.031 0.000 1.072 467 S CB 0.414 63.590 63.200 -0.040 0.000 0.867 467 S HN 0.620 nan 8.310 nan 0.000 0.492 468 G N 3.474 112.272 108.800 -0.004 0.000 2.347 468 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.247 468 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.247 468 G C 0.749 175.662 174.900 0.021 0.000 1.037 468 G CA 0.626 45.734 45.100 0.014 0.000 0.622 468 G HN 0.624 nan 8.290 nan 0.000 0.521 469 L N 0.091 121.317 121.223 0.005 0.000 2.209 469 L HA 0.394 4.730 4.340 -0.007 0.000 0.207 469 L C 1.482 178.368 176.870 0.027 0.000 1.094 469 L CA 0.991 55.838 54.840 0.011 0.000 0.790 469 L CB 0.241 42.295 42.059 -0.007 0.000 0.932 469 L HN 0.308 nan 8.230 nan 0.000 0.447 470 V N 1.797 121.725 119.914 0.024 0.000 2.357 470 V HA 0.373 4.488 4.120 -0.007 0.000 0.284 470 V C -0.365 175.750 176.094 0.034 0.000 1.018 470 V CA -0.525 61.796 62.300 0.034 0.000 0.841 470 V CB 0.991 32.832 31.823 0.030 0.000 0.991 470 V HN 0.216 nan 8.190 nan 0.000 0.437 471 K N 4.689 125.117 120.400 0.046 0.000 2.261 471 K HA 0.652 4.967 4.320 -0.007 0.000 0.242 471 K C -1.198 175.422 176.600 0.034 0.000 1.083 471 K CA -1.118 55.191 56.287 0.037 0.000 0.880 471 K CB 1.564 34.090 32.500 0.043 0.000 1.353 471 K HN 0.563 nan 8.250 nan 0.000 0.486 472 N N -0.255 118.454 118.700 0.016 0.000 2.272 472 N HA 0.379 5.114 4.740 -0.007 0.000 0.305 472 N C -1.067 174.438 175.510 -0.008 0.000 1.103 472 N CA -0.694 52.362 53.050 0.011 0.000 0.791 472 N CB 1.376 39.867 38.487 0.006 0.000 1.356 472 N HN 0.359 nan 8.380 nan 0.000 0.486 473 L N 1.579 122.800 121.223 -0.003 0.000 2.453 473 L HA 0.324 4.660 4.340 -0.007 0.000 0.272 473 L C 0.808 177.665 176.870 -0.021 0.000 1.182 473 L CA -0.261 54.568 54.840 -0.018 0.000 0.858 473 L CB 0.338 42.394 42.059 -0.004 0.000 1.120 473 L HN 0.596 nan 8.230 nan 0.000 0.474 474 A N 4.543 127.331 122.820 -0.052 0.000 2.313 474 A HA 0.482 4.797 4.320 -0.007 0.000 0.261 474 A C 0.073 177.666 177.584 0.015 0.000 1.090 474 A CA -0.630 51.376 52.037 -0.051 0.000 0.807 474 A CB 0.266 19.190 19.000 -0.127 0.000 1.055 474 A HN 0.643 nan 8.150 nan 0.000 0.492 475 L N 0.740 122.011 121.223 0.081 0.000 2.516 475 L HA -0.034 4.301 4.340 -0.007 0.000 0.288 475 L C 0.915 177.791 176.870 0.009 0.000 1.246 475 L CA 0.459 55.435 54.840 0.226 0.000 0.844 475 L CB -0.188 42.120 42.059 0.416 0.000 1.106 475 L HN 0.935 nan 8.230 nan 0.000 0.509 476 M N 0.101 119.582 119.600 -0.198 0.000 2.576 476 M HA -0.231 4.245 4.480 -0.007 0.000 0.200 476 M C -0.275 175.876 176.300 -0.249 0.000 0.487 476 M CA 0.797 55.681 55.300 -0.694 0.000 0.553 476 M CB -1.077 31.028 32.600 -0.825 0.000 2.042 476 M HN 0.733 nan 8.290 nan 0.000 0.758 477 A N 1.026 123.812 122.820 -0.057 0.000 2.287 477 A HA 0.689 5.004 4.320 -0.007 0.000 0.317 477 A C -0.105 177.516 177.584 0.062 0.000 1.220 477 A CA -0.424 51.614 52.037 0.001 0.000 0.835 477 A CB 0.926 19.904 19.000 -0.037 0.000 1.180 477 A HN 0.457 nan 8.150 nan 0.000 0.500 478 Q N 1.659 121.510 119.800 0.085 0.000 2.293 478 Q HA 0.482 4.818 4.340 -0.007 0.000 0.261 478 Q C -1.077 174.926 176.000 0.004 0.000 0.960 478 Q CA -0.428 55.392 55.803 0.028 0.000 0.882 478 Q CB 2.159 30.869 28.738 -0.048 0.000 1.275 478 Q HN 0.751 nan 8.270 nan 0.000 0.445 479 I N 2.255 122.822 120.570 -0.006 0.000 2.301 479 I HA 0.224 4.390 4.170 -0.007 0.000 0.292 479 I C 0.346 176.460 176.117 -0.005 0.000 1.046 479 I CA -0.388 60.919 61.300 0.012 0.000 1.282 479 I CB 1.129 39.147 38.000 0.029 0.000 1.409 479 I HN 0.567 nan 8.210 nan 0.000 0.484 480 A N 6.943 129.764 122.820 0.002 0.000 2.520 480 A HA 0.344 4.659 4.320 -0.007 0.000 0.245 480 A C 0.211 177.795 177.584 0.001 0.000 1.072 480 A CA -0.375 51.655 52.037 -0.013 0.000 0.761 480 A CB -0.028 18.977 19.000 0.008 0.000 1.004 480 A HN 0.644 nan 8.150 nan 0.000 0.499 481 V N 2.390 122.295 119.914 -0.015 0.000 2.498 481 V HA 0.659 4.774 4.120 -0.007 0.000 0.279 481 V C 0.984 177.082 176.094 0.007 0.000 1.048 481 V CA -0.416 61.885 62.300 0.001 0.000 0.967 481 V CB 0.173 31.991 31.823 -0.008 0.000 0.988 481 V HN 1.223 nan 8.190 nan 0.000 0.473 482 G N 3.782 112.594 108.800 0.020 0.000 2.771 482 G HA2 0.407 4.363 3.960 -0.007 0.000 0.242 482 G HA3 0.407 4.363 3.960 -0.007 0.000 0.242 482 G C -0.534 174.375 174.900 0.017 0.000 1.233 482 G CA -0.295 44.819 45.100 0.023 0.000 0.858 482 G HN 0.869 nan 8.290 nan 0.000 0.591 483 I N 0.152 120.734 120.570 0.020 0.000 2.644 483 I HA 0.118 4.284 4.170 -0.007 0.000 0.291 483 I C -0.623 175.505 176.117 0.019 0.000 1.180 483 I CA -0.905 60.404 61.300 0.016 0.000 1.040 483 I CB 2.262 40.270 38.000 0.013 0.000 1.255 483 I HN 0.361 nan 8.210 nan 0.000 0.422 484 N N 5.119 123.829 118.700 0.017 0.000 2.431 484 N HA 0.039 4.775 4.740 -0.007 0.000 0.265 484 N C 0.960 176.481 175.510 0.019 0.000 1.184 484 N CA 0.485 53.547 53.050 0.020 0.000 0.943 484 N CB 1.028 39.526 38.487 0.017 0.000 1.080 484 N HN 0.629 nan 8.380 nan 0.000 0.477 485 E N 2.765 122.980 120.200 0.024 0.000 2.208 485 E HA -0.252 4.094 4.350 -0.007 0.000 0.202 485 E C 0.730 177.342 176.600 0.020 0.000 1.014 485 E CA 1.377 57.791 56.400 0.022 0.000 0.819 485 E CB 0.159 29.878 29.700 0.031 0.000 0.735 485 E HN 0.607 nan 8.360 nan 0.000 0.469 486 K N 0.026 120.441 120.400 0.024 0.000 2.504 486 K HA -0.028 4.287 4.320 -0.007 0.000 0.195 486 K C 1.817 178.432 176.600 0.025 0.000 1.036 486 K CA 0.352 56.656 56.287 0.029 0.000 0.984 486 K CB 0.275 32.791 32.500 0.027 0.000 0.788 486 K HN 0.150 nan 8.250 nan 0.000 0.488 487 I N 0.191 120.771 120.570 0.017 0.000 2.385 487 I HA -0.147 4.018 4.170 -0.007 0.000 0.244 487 I C 2.250 178.370 176.117 0.004 0.000 1.089 487 I CA 0.881 62.188 61.300 0.012 0.000 1.410 487 I CB -0.763 37.242 38.000 0.008 0.000 1.117 487 I HN -0.136 nan 8.210 nan 0.000 0.429 488 V N 2.056 121.969 119.914 -0.002 0.000 2.295 488 V HA -0.263 3.852 4.120 -0.007 0.000 0.246 488 V C 2.533 178.598 176.094 -0.048 0.000 1.049 488 V CA 2.302 64.590 62.300 -0.021 0.000 1.024 488 V CB -0.913 30.900 31.823 -0.016 0.000 0.648 488 V HN 0.560 nan 8.190 nan 0.000 0.447 489 E N 0.450 120.627 120.200 -0.038 0.000 2.285 489 E HA -0.173 4.173 4.350 -0.007 0.000 0.194 489 E C 1.871 178.449 176.600 -0.036 0.000 0.997 489 E CA 1.003 57.353 56.400 -0.084 0.000 0.845 489 E CB -0.276 29.407 29.700 -0.028 0.000 0.782 489 E HN 0.507 nan 8.360 nan 0.000 0.491 490 K N 0.111 120.537 120.400 0.044 0.000 2.551 490 K HA 0.065 4.381 4.320 -0.007 0.000 0.192 490 K C 0.693 177.323 176.600 0.051 0.000 1.027 490 K CA 0.969 57.318 56.287 0.103 0.000 1.059 490 K CB 0.377 32.923 32.500 0.077 0.000 0.831 490 K HN 0.178 nan 8.250 nan 0.000 0.508 491 T N 0.108 114.651 114.554 -0.019 0.000 2.990 491 T HA 0.142 4.488 4.350 -0.007 0.000 0.249 491 T C 1.668 176.307 174.700 -0.102 0.000 1.039 491 T CA -0.100 61.976 62.100 -0.040 0.000 1.036 491 T CB 0.254 69.097 68.868 -0.042 0.000 0.994 491 T HN 0.053 nan 8.240 nan 0.000 0.489 492 L N 0.175 121.273 121.223 -0.208 0.000 2.005 492 L HA -0.034 4.302 4.340 -0.007 0.000 0.207 492 L C 2.135 178.808 176.870 -0.328 0.000 1.072 492 L CA 1.674 56.303 54.840 -0.353 0.000 0.744 492 L CB -0.576 41.152 42.059 -0.551 0.000 0.895 492 L HN 0.310 nan 8.230 nan 0.000 0.433 493 Y N -0.150 120.116 120.300 -0.058 0.000 2.497 493 Y HA -0.172 4.374 4.550 -0.007 0.000 0.292 493 Y C 2.433 178.314 175.900 -0.032 0.000 1.137 493 Y CA 0.506 58.582 58.100 -0.039 0.000 1.285 493 Y CB -0.367 38.078 38.460 -0.025 0.000 0.991 493 Y HN 0.244 nan 8.280 nan 0.000 0.556 494 E N -0.030 120.212 120.200 0.071 0.000 2.150 494 E HA -0.153 4.193 4.350 -0.007 0.000 0.193 494 E C 1.566 178.167 176.600 0.001 0.000 0.985 494 E CA 1.051 57.471 56.400 0.034 0.000 0.814 494 E CB -0.102 29.605 29.700 0.012 0.000 0.752 494 E HN 0.559 nan 8.360 nan 0.000 0.466 495 M N -1.243 118.323 119.600 -0.056 0.000 2.371 495 M HA 0.178 4.654 4.480 -0.007 0.000 0.246 495 M C 0.735 176.957 176.300 -0.130 0.000 1.103 495 M CA 0.337 55.578 55.300 -0.098 0.000 1.010 495 M CB 1.504 34.009 32.600 -0.159 0.000 1.457 495 M HN 0.243 nan 8.290 nan 0.000 0.486 496 G N 0.399 109.167 108.800 -0.054 0.000 2.234 496 G HA2 -0.116 3.840 3.960 -0.007 0.000 0.153 496 G HA3 -0.116 3.840 3.960 -0.007 0.000 0.153 496 G C -0.171 174.845 174.900 0.193 0.000 1.013 496 G CA -0.735 44.433 45.100 0.113 0.000 0.712 496 G HN 0.190 nan 8.290 nan 0.000 0.491 497 V N 1.303 121.235 119.914 0.030 0.000 2.614 497 V HA 0.513 4.628 4.120 -0.007 0.000 0.291 497 V C 0.746 177.037 176.094 0.330 0.000 1.049 497 V CA -0.461 61.900 62.300 0.101 0.000 1.038 497 V CB 1.742 33.439 31.823 -0.209 0.000 0.980 497 V HN 0.190 nan 8.190 nan 0.000 0.481 498 V N 7.614 127.703 119.914 0.292 0.000 2.370 498 V HA 0.349 4.465 4.120 -0.007 0.000 0.283 498 V C -2.037 174.214 176.094 0.261 0.000 1.023 498 V CA -1.744 60.699 62.300 0.238 0.000 0.857 498 V CB 1.725 33.631 31.823 0.139 0.000 0.985 498 V HN 0.778 nan 8.190 nan 0.000 0.443 499 P HA 0.145 nan 4.420 nan 0.000 0.275 499 P C 1.181 178.519 177.300 0.064 0.000 1.227 499 P CA 0.015 63.204 63.100 0.149 0.000 0.781 499 P CB 1.356 32.992 31.700 -0.105 0.000 0.906 500 V N 2.548 122.491 119.914 0.048 0.000 2.277 500 V HA -0.319 3.797 4.120 -0.007 0.000 0.255 500 V C 2.483 178.534 176.094 -0.072 0.000 1.074 500 V CA 2.461 64.777 62.300 0.026 0.000 1.058 500 V CB -1.423 30.328 31.823 -0.119 0.000 0.656 500 V HN 0.705 nan 8.190 nan 0.000 0.449 501 E N -0.155 119.939 120.200 -0.176 0.000 2.086 501 E HA -0.360 3.986 4.350 -0.007 0.000 0.205 501 E C 2.318 178.882 176.600 -0.061 0.000 1.027 501 E CA 2.342 58.654 56.400 -0.147 0.000 0.830 501 E CB -0.150 29.465 29.700 -0.141 0.000 0.751 501 E HN 0.791 nan 8.360 nan 0.000 0.456 502 E N -0.513 119.655 120.200 -0.053 0.000 2.076 502 E HA -0.125 4.220 4.350 -0.007 0.000 0.190 502 E C 2.159 178.731 176.600 -0.047 0.000 0.979 502 E CA 1.076 57.449 56.400 -0.045 0.000 0.807 502 E CB 0.238 29.912 29.700 -0.044 0.000 0.761 502 E HN 0.207 nan 8.360 nan 0.000 0.454 503 V N 1.888 121.779 119.914 -0.039 0.000 2.392 503 V HA -0.281 3.834 4.120 -0.007 0.000 0.249 503 V C 2.422 178.463 176.094 -0.088 0.000 1.059 503 V CA 1.142 63.386 62.300 -0.093 0.000 1.051 503 V CB -0.664 31.066 31.823 -0.154 0.000 0.658 503 V HN 0.318 nan 8.190 nan 0.000 0.455 504 I N 1.708 122.261 120.570 -0.028 0.000 2.099 504 I HA -0.191 3.975 4.170 -0.007 0.000 0.239 504 I C 1.907 177.958 176.117 -0.109 0.000 1.066 504 I CA 1.737 63.025 61.300 -0.020 0.000 1.324 504 I CB -0.975 37.069 38.000 0.074 0.000 1.037 504 I HN 0.483 nan 8.210 nan 0.000 0.401 505 R N 1.124 121.578 120.500 -0.077 0.000 4.141 505 R HA 0.233 4.568 4.340 -0.007 0.000 0.281 505 R C 1.086 177.336 176.300 -0.083 0.000 1.608 505 R CA 0.042 56.087 56.100 -0.093 0.000 1.426 505 R CB -0.162 30.100 30.300 -0.064 0.000 1.432 505 R HN 0.109 nan 8.270 nan 0.000 0.708 506 R N 0.809 121.251 120.500 -0.097 0.000 2.509 506 R HA 0.078 4.414 4.340 -0.007 0.000 0.297 506 R C 0.823 177.066 176.300 -0.096 0.000 0.951 506 R CA 0.737 56.784 56.100 -0.089 0.000 1.103 506 R CB 0.975 31.218 30.300 -0.094 0.000 1.283 506 R HN 0.398 nan 8.270 nan 0.000 0.534 507 V N -2.238 117.608 119.914 -0.114 0.000 3.212 507 V HA 0.187 4.303 4.120 -0.007 0.000 0.244 507 V C 1.328 177.358 176.094 -0.106 0.000 1.151 507 V CA 0.611 62.848 62.300 -0.105 0.000 1.119 507 V CB -0.048 31.711 31.823 -0.107 0.000 0.838 507 V HN 0.128 nan 8.190 nan 0.000 0.470 520 W N 1.398 122.727 121.300 0.048 0.000 2.683 520 W HA 0.625 5.281 4.660 -0.007 0.000 0.329 520 W C -0.460 176.148 176.519 0.149 0.000 1.037 520 W CA -0.787 56.624 57.345 0.110 0.000 1.232 520 W CB 2.223 31.723 29.460 0.067 0.000 1.390 520 W HN 0.175 nan 8.180 nan 0.000 0.465 521 S N 2.451 118.451 115.700 0.500 0.000 2.649 521 S HA -0.077 4.388 4.470 -0.007 0.000 0.801 521 S C -1.022 173.733 174.600 0.259 0.000 0.738 521 S CA -0.893 57.514 58.200 0.346 0.000 1.608 521 S CB -0.564 62.806 63.200 0.283 0.000 1.158 521 S HN 0.520 nan 8.310 nan 0.000 0.320 522 K N 3.148 123.619 120.400 0.118 0.000 2.172 522 K HA 0.613 4.929 4.320 -0.007 0.000 0.276 522 K C -0.303 176.191 176.600 -0.178 0.000 1.013 522 K CA -0.802 55.371 56.287 -0.191 0.000 0.913 522 K CB 1.610 33.983 32.500 -0.210 0.000 1.055 522 K HN 0.353 nan 8.250 nan 0.000 0.461 523 V N 4.782 124.541 119.914 -0.259 0.000 2.394 523 V HA 0.346 4.462 4.120 -0.007 0.000 0.282 523 V C -0.387 175.544 176.094 -0.272 0.000 1.031 523 V CA -0.732 61.441 62.300 -0.212 0.000 0.881 523 V CB 0.964 32.685 31.823 -0.169 0.000 0.982 523 V HN 0.568 nan 8.190 nan 0.000 0.451 524 I N 5.773 126.182 120.570 -0.269 0.000 2.466 524 I HA 0.427 4.593 4.170 -0.007 0.000 0.289 524 I C -0.828 175.219 176.117 -0.116 0.000 1.026 524 I CA -0.320 60.831 61.300 -0.248 0.000 1.078 524 I CB 1.899 39.709 38.000 -0.317 0.000 1.249 524 I HN 0.313 nan 8.210 nan 0.000 0.429 525 L N 7.360 128.539 121.223 -0.074 0.000 2.298 525 L HA 0.506 4.842 4.340 -0.007 0.000 0.284 525 L C -0.320 176.576 176.870 0.044 0.000 1.013 525 L CA -0.363 54.468 54.840 -0.014 0.000 0.824 525 L CB 0.599 42.639 42.059 -0.032 0.000 1.221 525 L HN 0.677 nan 8.230 nan 0.000 0.418 526 N N 4.228 122.969 118.700 0.069 0.000 2.699 526 N HA -0.213 4.522 4.740 -0.007 0.000 0.256 526 N C 1.051 176.638 175.510 0.128 0.000 0.993 526 N CA 1.249 54.353 53.050 0.091 0.000 0.759 526 N CB -1.137 37.398 38.487 0.080 0.000 0.906 526 N HN 1.052 nan 8.380 nan 0.000 0.541 527 G N -0.781 108.107 108.800 0.146 0.000 2.160 527 G HA2 -0.362 3.594 3.960 -0.007 0.000 0.251 527 G HA3 -0.362 3.594 3.960 -0.007 0.000 0.251 527 G C 0.007 175.051 174.900 0.239 0.000 1.008 527 G CA 0.644 45.866 45.100 0.202 0.000 0.724 527 G HN 0.848 nan 8.290 nan 0.000 0.514 528 R N -0.357 120.212 120.500 0.114 0.000 2.538 528 R HA 0.581 4.916 4.340 -0.007 0.000 0.292 528 R C -0.360 175.831 176.300 -0.181 0.000 1.008 528 R CA -1.146 55.007 56.100 0.089 0.000 0.896 528 R CB 0.843 31.307 30.300 0.273 0.000 1.187 528 R HN 0.191 nan 8.270 nan 0.000 0.440 529 L N 5.701 126.646 121.223 -0.463 0.000 2.500 529 L HA 0.078 4.414 4.340 -0.007 0.000 0.272 529 L C 0.243 176.975 176.870 -0.231 0.000 1.149 529 L CA -0.028 54.522 54.840 -0.483 0.000 0.897 529 L CB 1.301 42.941 42.059 -0.697 0.000 1.178 529 L HN 0.704 nan 8.230 nan 0.000 0.473 530 V N 4.487 124.289 119.914 -0.187 0.000 2.690 530 V HA 0.382 4.498 4.120 -0.007 0.000 0.240 530 V C 0.930 177.013 176.094 -0.018 0.000 1.078 530 V CA 0.993 63.249 62.300 -0.075 0.000 1.102 530 V CB 0.803 32.558 31.823 -0.114 0.000 0.800 530 V HN 0.931 nan 8.190 nan 0.000 0.479 531 G N -2.811 105.920 108.800 -0.115 0.000 2.561 531 G HA2 0.413 4.369 3.960 -0.007 0.000 0.310 531 G HA3 0.413 4.369 3.960 -0.007 0.000 0.310 531 G C -0.906 173.896 174.900 -0.164 0.000 1.292 531 G CA -0.116 44.971 45.100 -0.023 0.000 0.811 531 G HN -0.084 nan 8.290 nan 0.000 0.482 532 Y N -1.332 119.002 120.300 0.056 0.000 2.893 532 Y HA 0.522 5.068 4.550 -0.007 0.000 0.195 532 Y C 0.266 176.263 175.900 0.161 0.000 0.964 532 Y CA 0.682 58.821 58.100 0.065 0.000 1.596 532 Y CB 0.098 38.558 38.460 -0.001 0.000 1.247 532 Y HN 0.673 nan 8.280 nan 0.000 0.464 533 Y N 1.556 121.954 120.300 0.164 0.000 2.671 533 Y HA -0.223 4.322 4.550 -0.007 0.000 0.029 533 Y C -0.093 175.853 175.900 0.078 0.000 1.889 533 Y CA -0.753 57.393 58.100 0.076 0.000 1.300 533 Y CB -0.253 38.226 38.460 0.031 0.000 1.958 533 Y HN 0.326 nan 8.280 nan 0.000 0.276 534 R N 5.412 125.711 120.500 -0.335 0.000 2.442 534 R HA 0.308 4.643 4.340 -0.007 0.000 0.291 534 R C -0.341 175.686 176.300 -0.455 0.000 1.069 534 R CA 0.761 56.702 56.100 -0.265 0.000 1.022 534 R CB 0.476 30.665 30.300 -0.185 0.000 0.976 534 R HN 0.721 nan 8.270 nan 0.000 0.443 535 D N 2.373 122.675 120.400 -0.162 0.000 3.653 535 D HA -0.085 4.550 4.640 -0.007 0.000 0.247 535 D C 0.614 176.909 176.300 -0.009 0.000 1.025 535 D CA 0.870 54.809 54.000 -0.101 0.000 1.053 535 D CB -0.814 39.898 40.800 -0.147 0.000 0.932 535 D HN 0.839 nan 8.370 nan 0.000 0.414 536 G N 2.125 110.924 108.800 -0.002 0.000 2.418 536 G HA2 -0.250 3.706 3.960 -0.007 0.000 0.217 536 G HA3 -0.250 3.706 3.960 -0.007 0.000 0.217 536 G C 1.300 175.910 174.900 -0.482 0.000 1.158 536 G CA 1.249 46.252 45.100 -0.163 0.000 0.771 536 G HN 0.564 nan 8.290 nan 0.000 0.545 537 E N 0.366 120.273 120.200 -0.487 0.000 2.070 537 E HA -0.154 4.192 4.350 -0.007 0.000 0.197 537 E C 2.379 178.929 176.600 -0.083 0.000 1.004 537 E CA 1.160 57.393 56.400 -0.279 0.000 0.805 537 E CB -0.165 29.505 29.700 -0.050 0.000 0.744 537 E HN 0.536 nan 8.360 nan 0.000 0.451 538 E N 0.647 120.853 120.200 0.010 0.000 2.110 538 E HA -0.176 4.170 4.350 -0.007 0.000 0.193 538 E C 2.192 178.850 176.600 0.096 0.000 0.988 538 E CA 0.381 56.832 56.400 0.085 0.000 0.804 538 E CB -0.084 29.701 29.700 0.142 0.000 0.745 538 E HN 0.202 nan 8.360 nan 0.000 0.458 539 L N 0.858 122.172 121.223 0.151 0.000 1.990 539 L HA -0.252 4.084 4.340 -0.007 0.000 0.213 539 L C 2.354 179.181 176.870 -0.071 0.000 1.072 539 L CA 2.119 56.919 54.840 -0.068 0.000 0.755 539 L CB -0.858 41.147 42.059 -0.089 0.000 0.889 539 L HN 0.087 nan 8.230 nan 0.000 0.432 540 A N -0.394 122.400 122.820 -0.044 0.000 1.877 540 A HA -0.241 4.075 4.320 -0.007 0.000 0.216 540 A C 2.285 179.874 177.584 0.008 0.000 1.186 540 A CA 1.765 53.797 52.037 -0.007 0.000 0.620 540 A CB -0.456 18.557 19.000 0.022 0.000 0.822 540 A HN 0.438 nan 8.150 nan 0.000 0.443 541 K N -0.361 120.045 120.400 0.009 0.000 2.147 541 K HA -0.118 4.197 4.320 -0.007 0.000 0.205 541 K C 2.079 178.686 176.600 0.012 0.000 1.049 541 K CA 1.450 57.749 56.287 0.019 0.000 0.936 541 K CB -0.127 32.387 32.500 0.023 0.000 0.722 541 K HN 0.430 nan 8.250 nan 0.000 0.446 542 K N 0.694 121.094 120.400 0.000 0.000 2.025 542 K HA -0.070 4.246 4.320 -0.007 0.000 0.207 542 K C 2.070 178.660 176.600 -0.018 0.000 1.049 542 K CA 1.200 57.480 56.287 -0.012 0.000 0.933 542 K CB -0.103 32.377 32.500 -0.034 0.000 0.714 542 K HN 0.075 nan 8.250 nan 0.000 0.438 543 I N 0.741 121.294 120.570 -0.028 0.000 2.264 543 I HA -0.307 3.859 4.170 -0.007 0.000 0.248 543 I C 2.359 178.481 176.117 0.008 0.000 1.111 543 I CA 1.351 62.639 61.300 -0.020 0.000 1.382 543 I CB -0.230 37.755 38.000 -0.025 0.000 1.060 543 I HN 0.132 nan 8.210 nan 0.000 0.418 544 R N 0.716 121.228 120.500 0.021 0.000 2.057 544 R HA -0.103 4.232 4.340 -0.007 0.000 0.229 544 R C 2.107 178.425 176.300 0.030 0.000 1.136 544 R CA 1.178 57.301 56.100 0.038 0.000 0.952 544 R CB -0.265 30.067 30.300 0.052 0.000 0.848 544 R HN 0.363 nan 8.270 nan 0.000 0.430 545 E N 0.037 120.249 120.200 0.020 0.000 2.401 545 E HA -0.157 4.189 4.350 -0.007 0.000 0.199 545 E C 1.815 178.422 176.600 0.012 0.000 1.023 545 E CA 0.779 57.188 56.400 0.015 0.000 0.859 545 E CB 0.154 29.861 29.700 0.011 0.000 0.780 545 E HN 0.270 nan 8.360 nan 0.000 0.523 546 R N -0.221 120.285 120.500 0.011 0.000 2.103 546 R HA 0.137 4.473 4.340 -0.007 0.000 0.212 546 R C 2.343 178.652 176.300 0.015 0.000 1.107 546 R CA -0.088 56.017 56.100 0.008 0.000 1.025 546 R CB -0.008 30.292 30.300 0.000 0.000 0.929 546 R HN -0.089 nan 8.270 nan 0.000 0.456 547 R N 1.498 122.011 120.500 0.021 0.000 2.139 547 R HA -0.129 4.207 4.340 -0.007 0.000 0.243 547 R C 1.760 178.083 176.300 0.037 0.000 1.145 547 R CA 1.597 57.716 56.100 0.032 0.000 0.976 547 R CB 0.018 30.343 30.300 0.043 0.000 0.866 547 R HN 0.187 nan 8.270 nan 0.000 0.449 548 R N -0.280 120.240 120.500 0.034 0.000 2.093 548 R HA 0.002 4.338 4.340 -0.007 0.000 0.224 548 R C 2.082 178.393 176.300 0.019 0.000 1.101 548 R CA 0.786 56.904 56.100 0.030 0.000 0.979 548 R CB -0.017 30.298 30.300 0.025 0.000 0.877 548 R HN -0.023 nan 8.270 nan 0.000 0.441 549 K N -0.466 119.943 120.400 0.014 0.000 2.288 549 K HA 0.061 4.376 4.320 -0.007 0.000 0.201 549 K C 1.122 177.728 176.600 0.010 0.000 1.048 549 K CA 1.021 57.313 56.287 0.009 0.000 0.956 549 K CB 0.050 32.554 32.500 0.007 0.000 0.746 549 K HN 0.424 nan 8.250 nan 0.000 0.461 550 G N 1.713 110.522 108.800 0.014 0.000 2.140 550 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.211 550 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.211 550 G C 0.539 175.445 174.900 0.010 0.000 1.013 550 G CA 0.463 45.572 45.100 0.014 0.000 0.705 550 G HN 0.409 nan 8.290 nan 0.000 0.508 551 E N -1.248 118.957 120.200 0.008 0.000 2.442 551 E HA 0.393 4.738 4.350 -0.007 0.000 0.195 551 E C 0.869 177.471 176.600 0.003 0.000 1.030 551 E CA 0.195 56.597 56.400 0.004 0.000 0.869 551 E CB 0.143 29.844 29.700 0.002 0.000 0.857 551 E HN 0.536 nan 8.360 nan 0.000 0.505 552 I N -0.982 119.591 120.570 0.006 0.000 3.042 552 I HA 0.205 4.370 4.170 -0.007 0.000 0.310 552 I C -0.698 175.426 176.117 0.012 0.000 1.117 552 I CA -0.950 60.352 61.300 0.005 0.000 1.003 552 I CB 2.097 40.096 38.000 -0.002 0.000 1.228 552 I HN -0.248 nan 8.210 nan 0.000 0.443 553 S N 1.931 117.637 115.700 0.011 0.000 2.560 553 S HA 0.069 4.534 4.470 -0.007 0.000 0.284 553 S C 0.504 175.121 174.600 0.028 0.000 1.327 553 S CA 0.059 58.269 58.200 0.016 0.000 1.055 553 S CB 0.238 63.445 63.200 0.011 0.000 0.868 553 S HN 0.618 nan 8.310 nan 0.000 0.506 554 D N 2.353 122.773 120.400 0.034 0.000 2.265 554 D HA -0.075 4.561 4.640 -0.007 0.000 0.208 554 D C 0.908 177.244 176.300 0.060 0.000 0.977 554 D CA 1.246 55.280 54.000 0.057 0.000 0.871 554 D CB 0.100 40.936 40.800 0.061 0.000 0.925 554 D HN 0.733 nan 8.370 nan 0.000 0.485 555 E N -0.021 120.200 120.200 0.035 0.000 2.569 555 E HA 0.148 4.494 4.350 -0.007 0.000 0.205 555 E C -0.533 176.089 176.600 0.036 0.000 1.006 555 E CA -0.062 56.355 56.400 0.029 0.000 0.985 555 E CB 1.202 30.903 29.700 0.002 0.000 1.060 555 E HN 0.018 nan 8.360 nan 0.000 0.460 556 V N 1.904 121.842 119.914 0.040 0.000 2.294 556 V HA 0.182 4.298 4.120 -0.007 0.000 0.272 556 V C -0.225 175.899 176.094 0.050 0.000 1.027 556 V CA -0.725 61.597 62.300 0.036 0.000 0.823 556 V CB 0.349 32.184 31.823 0.020 0.000 1.030 556 V HN 0.183 nan 8.190 nan 0.000 0.457 557 N N 2.740 121.476 118.700 0.061 0.000 2.498 557 N HA 0.668 5.404 4.740 -0.007 0.000 0.287 557 N C -0.978 174.578 175.510 0.076 0.000 1.097 557 N CA -0.378 52.717 53.050 0.076 0.000 0.973 557 N CB 2.108 40.648 38.487 0.087 0.000 1.153 557 N HN 0.423 nan 8.380 nan 0.000 0.472 558 V N 0.794 120.760 119.914 0.086 0.000 2.569 558 V HA 0.677 4.793 4.120 -0.007 0.000 0.301 558 V C 0.054 176.221 176.094 0.121 0.000 1.044 558 V CA -0.733 61.622 62.300 0.092 0.000 0.874 558 V CB 1.721 33.581 31.823 0.062 0.000 1.002 558 V HN 0.786 nan 8.190 nan 0.000 0.424 559 G N 1.501 110.391 108.800 0.149 0.000 2.482 559 G HA2 0.575 4.531 3.960 -0.007 0.000 0.317 559 G HA3 0.575 4.531 3.960 -0.007 0.000 0.317 559 G C -1.609 173.440 174.900 0.248 0.000 1.241 559 G CA -0.562 44.642 45.100 0.173 0.000 0.967 559 G HN 0.784 nan 8.290 nan 0.000 0.482 560 H N 2.078 121.219 119.070 0.119 0.000 2.725 560 H HA 0.472 5.024 4.556 -0.007 0.000 0.283 560 H C -0.263 175.136 175.328 0.118 0.000 1.110 560 H CA -0.972 55.150 56.048 0.123 0.000 1.289 560 H CB 0.190 30.013 29.762 0.100 0.000 1.400 560 H HN 0.277 nan 8.280 nan 0.000 0.493 561 I N 6.368 126.955 120.570 0.028 0.000 2.396 561 I HA 0.006 4.172 4.170 -0.007 0.000 0.289 561 I C 0.654 176.661 176.117 -0.182 0.000 1.056 561 I CA -0.185 61.087 61.300 -0.047 0.000 1.365 561 I CB 1.266 39.306 38.000 0.066 0.000 1.407 561 I HN 0.459 nan 8.210 nan 0.000 0.509 562 V N 4.175 123.956 119.914 -0.221 0.000 2.398 562 V HA 0.001 4.117 4.120 -0.007 0.000 0.236 562 V C 0.769 176.802 176.094 -0.103 0.000 1.054 562 V CA 0.876 63.038 62.300 -0.231 0.000 1.060 562 V CB -0.501 31.187 31.823 -0.224 0.000 0.707 562 V HN 1.027 nan 8.190 nan 0.000 0.480 563 T N 0.395 114.898 114.554 -0.085 0.000 0.541 563 T HA -0.229 4.117 4.350 -0.007 0.000 0.774 563 T C 0.204 174.808 174.700 -0.160 0.000 0.992 563 T CA 0.751 62.801 62.100 -0.082 0.000 4.077 563 T CB -0.678 68.188 68.868 -0.004 0.000 2.303 563 T HN 0.514 nan 8.240 nan 0.000 0.398 564 D N -0.398 119.819 120.400 -0.305 0.000 2.350 564 D HA 0.255 4.890 4.640 -0.007 0.000 0.213 564 D C 1.311 177.200 176.300 -0.686 0.000 1.031 564 D CA 0.788 54.457 54.000 -0.551 0.000 0.861 564 D CB 0.050 40.377 40.800 -0.787 0.000 0.926 564 D HN 0.527 nan 8.370 nan 0.000 0.520 565 F N -0.236 119.687 119.950 -0.045 0.000 2.577 565 F HA 0.212 4.735 4.527 -0.007 0.000 0.282 565 F C 0.602 176.377 175.800 -0.042 0.000 0.957 565 F CA -0.538 57.430 58.000 -0.053 0.000 1.168 565 F CB 0.550 39.528 39.000 -0.038 0.000 0.958 565 F HN -0.232 nan 8.300 nan 0.000 0.702 566 I N -0.660 120.015 120.570 0.175 0.000 2.354 566 I HA 0.409 4.575 4.170 -0.007 0.000 0.286 566 I C -0.660 175.522 176.117 0.108 0.000 1.007 566 I CA -0.766 60.618 61.300 0.140 0.000 1.167 566 I CB 0.849 38.936 38.000 0.146 0.000 1.320 566 I HN -0.069 nan 8.210 nan 0.000 0.458 567 N N 5.808 124.591 118.700 0.137 0.000 2.521 567 N HA 0.250 4.986 4.740 -0.007 0.000 0.236 567 N C -1.053 174.578 175.510 0.201 0.000 1.067 567 N CA -0.081 53.066 53.050 0.162 0.000 0.939 567 N CB 0.501 39.118 38.487 0.217 0.000 1.201 567 N HN 0.732 nan 8.380 nan 0.000 0.511 568 E N 1.573 121.876 120.200 0.170 0.000 2.199 568 E HA 0.347 4.692 4.350 -0.007 0.000 0.265 568 E C -0.892 175.847 176.600 0.232 0.000 0.882 568 E CA -0.882 55.607 56.400 0.149 0.000 0.759 568 E CB 2.176 31.978 29.700 0.169 0.000 1.148 568 E HN 0.153 nan 8.360 nan 0.000 0.412 569 V N 4.063 124.060 119.914 0.138 0.000 2.347 569 V HA 0.216 4.331 4.120 -0.007 0.000 0.280 569 V C -0.285 175.801 176.094 -0.013 0.000 1.021 569 V CA -0.697 61.704 62.300 0.169 0.000 0.847 569 V CB 0.789 32.687 31.823 0.125 0.000 0.990 569 V HN 0.659 nan 8.190 nan 0.000 0.444 570 H N 3.308 122.421 119.070 0.073 0.000 2.459 570 H HA 0.521 5.072 4.556 -0.007 0.000 0.332 570 H C -0.912 174.433 175.328 0.029 0.000 1.094 570 H CA -0.500 55.572 56.048 0.040 0.000 1.224 570 H CB 2.403 32.192 29.762 0.044 0.000 1.449 570 H HN 0.411 nan 8.280 nan 0.000 0.484 571 V N 4.587 124.554 119.914 0.089 0.000 2.357 571 V HA 0.149 4.265 4.120 -0.007 0.000 0.284 571 V C -0.036 176.096 176.094 0.063 0.000 1.018 571 V CA -0.854 61.477 62.300 0.052 0.000 0.841 571 V CB 1.046 32.861 31.823 -0.014 0.000 0.991 571 V HN 0.691 nan 8.190 nan 0.000 0.437 572 N N 2.920 121.663 118.700 0.072 0.000 2.342 572 N HA 0.542 5.277 4.740 -0.007 0.000 0.293 572 N C 0.146 175.688 175.510 0.053 0.000 1.026 572 N CA -0.507 52.583 53.050 0.068 0.000 0.857 572 N CB 1.886 40.420 38.487 0.078 0.000 1.256 572 N HN 0.920 nan 8.380 nan 0.000 0.484 573 C N -1.266 118.061 119.300 0.046 0.000 4.015 573 C HA 0.253 4.709 4.460 -0.007 0.000 0.323 573 C C 0.048 175.059 174.990 0.036 0.000 1.724 573 C CA -0.728 58.312 59.018 0.037 0.000 1.828 573 C CB -0.885 26.870 27.740 0.026 0.000 3.083 573 C HN 0.663 nan 8.230 nan 0.000 0.640 574 D N 2.320 122.746 120.400 0.043 0.000 2.329 574 D HA 0.280 4.916 4.640 -0.007 0.000 0.246 574 D C 0.226 176.550 176.300 0.041 0.000 1.111 574 D CA 0.412 54.437 54.000 0.041 0.000 0.941 574 D CB 1.326 42.154 40.800 0.046 0.000 1.169 574 D HN 0.351 nan 8.370 nan 0.000 0.441 575 S N -0.039 115.684 115.700 0.038 0.000 2.558 575 S HA 0.355 4.821 4.470 -0.007 0.000 0.293 575 S C 1.200 175.827 174.600 0.046 0.000 1.292 575 S CA 0.711 58.935 58.200 0.039 0.000 1.063 575 S CB -0.507 62.718 63.200 0.041 0.000 0.831 575 S HN 1.327 nan 8.310 nan 0.000 0.499 576 G N 3.937 112.767 108.800 0.049 0.000 2.148 576 G HA2 -0.182 3.774 3.960 -0.007 0.000 0.203 576 G HA3 -0.182 3.774 3.960 -0.007 0.000 0.203 576 G C -0.101 174.846 174.900 0.079 0.000 0.993 576 G CA -0.164 44.973 45.100 0.061 0.000 0.661 576 G HN 0.847 nan 8.290 nan 0.000 0.518 577 R N 0.202 120.748 120.500 0.077 0.000 2.297 577 R HA 0.527 4.863 4.340 -0.007 0.000 0.308 577 R C 0.343 176.702 176.300 0.098 0.000 1.029 577 R CA -0.550 55.611 56.100 0.102 0.000 0.929 577 R CB 1.787 32.143 30.300 0.093 0.000 1.046 577 R HN 0.094 nan 8.270 nan 0.000 0.461 578 V N 4.522 124.512 119.914 0.126 0.000 2.488 578 V HA 0.285 4.401 4.120 -0.007 0.000 0.277 578 V C 0.509 176.638 176.094 0.059 0.000 1.046 578 V CA -0.272 62.071 62.300 0.071 0.000 0.986 578 V CB 0.680 32.517 31.823 0.024 0.000 0.989 578 V HN 0.718 nan 8.190 nan 0.000 0.475 579 R N 3.603 124.143 120.500 0.066 0.000 2.854 579 R HA 0.822 5.157 4.340 -0.007 0.000 0.271 579 R C -0.672 175.713 176.300 0.141 0.000 0.994 579 R CA -1.033 55.139 56.100 0.119 0.000 0.945 579 R CB 2.499 32.901 30.300 0.169 0.000 1.194 579 R HN 0.704 nan 8.270 nan 0.000 0.476 580 R N 1.824 122.408 120.500 0.140 0.000 2.575 580 R HA 0.424 4.759 4.340 -0.007 0.000 0.293 580 R C -2.747 173.542 176.300 -0.018 0.000 0.983 580 R CA -1.809 54.325 56.100 0.058 0.000 0.887 580 R CB 1.970 32.273 30.300 0.005 0.000 1.184 580 R HN 0.361 nan 8.270 nan 0.000 0.445 581 P HA 0.255 nan 4.420 nan 0.000 0.285 581 P C -1.056 176.138 177.300 -0.177 0.000 1.259 581 P CA -0.269 62.558 63.100 -0.456 0.000 0.794 581 P CB 1.299 32.585 31.700 -0.691 0.000 0.940 582 L N 2.706 123.851 121.223 -0.130 0.000 2.327 582 L HA 0.521 4.857 4.340 -0.007 0.000 0.258 582 L C 0.183 177.085 176.870 0.054 0.000 1.024 582 L CA -1.424 53.404 54.840 -0.019 0.000 0.825 582 L CB 1.959 43.977 42.059 -0.068 0.000 1.386 582 L HN 0.182 nan 8.230 nan 0.000 0.417 583 I N 2.415 123.036 120.570 0.084 0.000 2.416 583 I HA 0.215 4.381 4.170 -0.007 0.000 0.288 583 I C 0.280 176.453 176.117 0.093 0.000 1.051 583 I CA -0.082 61.250 61.300 0.053 0.000 1.375 583 I CB 0.924 38.935 38.000 0.019 0.000 1.407 583 I HN 0.398 nan 8.210 nan 0.000 0.516 584 I N 6.768 127.365 120.570 0.044 0.000 2.533 584 I HA 0.073 4.239 4.170 -0.007 0.000 0.284 584 I C 0.044 176.120 176.117 -0.069 0.000 1.109 584 I CA -0.013 61.265 61.300 -0.038 0.000 1.412 584 I CB 0.704 38.690 38.000 -0.024 0.000 1.396 584 I HN 0.197 nan 8.210 nan 0.000 0.543 585 V N 6.119 125.959 119.914 -0.123 0.000 2.357 585 V HA 0.294 4.410 4.120 -0.007 0.000 0.284 585 V C -0.006 176.053 176.094 -0.060 0.000 1.018 585 V CA -0.500 61.759 62.300 -0.068 0.000 0.841 585 V CB 1.496 33.294 31.823 -0.041 0.000 0.991 585 V HN 0.838 nan 8.190 nan 0.000 0.437 586 S N 3.670 119.350 115.700 -0.034 0.000 2.437 586 S HA 0.621 5.087 4.470 -0.007 0.000 0.305 586 S C 0.343 174.941 174.600 -0.003 0.000 1.109 586 S CA -0.547 57.642 58.200 -0.020 0.000 1.099 586 S CB 1.529 64.718 63.200 -0.018 0.000 1.004 586 S HN 0.771 nan 8.310 nan 0.000 0.475 587 N N 2.450 121.154 118.700 0.007 0.000 3.013 587 N HA -0.201 4.535 4.740 -0.007 0.000 0.183 587 N C 0.483 176.013 175.510 0.033 0.000 0.363 587 N CA 2.727 55.788 53.050 0.019 0.000 1.873 587 N CB -1.512 36.983 38.487 0.013 0.000 1.363 587 N HN 1.285 nan 8.380 nan 0.000 0.392 588 G N -0.201 108.613 108.800 0.024 0.000 4.101 588 G HA2 0.462 4.418 3.960 -0.007 0.000 0.262 588 G HA3 0.462 4.418 3.960 -0.007 0.000 0.262 588 G C -1.290 173.613 174.900 0.005 0.000 1.181 588 G CA -0.238 44.878 45.100 0.026 0.000 0.640 588 G HN 0.352 nan 8.290 nan 0.000 0.467 589 N N 0.695 119.392 118.700 -0.005 0.000 2.331 589 N HA 0.534 5.269 4.740 -0.007 0.000 0.280 589 N C -2.560 172.939 175.510 -0.018 0.000 1.155 589 N CA -0.906 52.137 53.050 -0.011 0.000 0.822 589 N CB 3.828 42.310 38.487 -0.008 0.000 1.619 589 N HN 0.114 nan 8.380 nan 0.000 0.476 590 P HA 0.381 nan 4.420 nan 0.000 0.288 590 P C 0.088 177.374 177.300 -0.024 0.000 1.333 590 P CA 0.256 63.343 63.100 -0.021 0.000 0.806 590 P CB 0.720 32.411 31.700 -0.016 0.000 2.004 591 L N -4.418 116.791 121.223 -0.024 0.000 3.584 591 L HA 0.360 4.696 4.340 -0.007 0.000 0.354 591 L C 1.170 178.026 176.870 -0.024 0.000 1.345 591 L CA -0.201 54.620 54.840 -0.030 0.000 0.970 591 L CB -1.113 40.917 42.059 -0.048 0.000 1.374 591 L HN -0.228 nan 8.230 nan 0.000 0.612 592 V N -0.430 119.476 119.914 -0.014 0.000 2.265 592 V HA -0.436 3.680 4.120 -0.007 0.000 0.259 592 V C 2.564 178.653 176.094 -0.008 0.000 1.084 592 V CA 3.009 65.305 62.300 -0.007 0.000 1.076 592 V CB -1.144 30.677 31.823 -0.003 0.000 0.680 592 V HN 0.805 nan 8.190 nan 0.000 0.452 593 T N -1.160 113.388 114.554 -0.010 0.000 3.007 593 T HA -0.116 4.230 4.350 -0.007 0.000 0.270 593 T C 1.902 176.594 174.700 -0.014 0.000 1.107 593 T CA 1.366 63.460 62.100 -0.009 0.000 1.118 593 T CB -0.194 68.669 68.868 -0.009 0.000 0.889 593 T HN 0.555 nan 8.240 nan 0.000 0.506 594 R N 0.642 121.128 120.500 -0.022 0.000 2.100 594 R HA 0.128 4.463 4.340 -0.007 0.000 0.220 594 R C 1.276 177.558 176.300 -0.029 0.000 1.091 594 R CA 0.481 56.562 56.100 -0.031 0.000 0.986 594 R CB -0.045 30.226 30.300 -0.049 0.000 0.888 594 R HN 0.220 nan 8.270 nan 0.000 0.444 595 E N 1.579 121.765 120.200 -0.025 0.000 1.842 595 E HA -0.041 4.304 4.350 -0.007 0.000 0.278 595 E C -0.934 175.665 176.600 -0.003 0.000 1.171 595 E CA 0.515 56.906 56.400 -0.015 0.000 1.127 595 E CB 0.161 29.856 29.700 -0.009 0.000 1.100 595 E HN 0.184 nan 8.360 nan 0.000 0.456 596 D N 0.815 121.212 120.400 -0.004 0.000 2.618 596 D HA 0.043 4.678 4.640 -0.007 0.000 0.278 596 D C 0.842 177.144 176.300 0.004 0.000 1.203 596 D CA -0.119 53.883 54.000 0.003 0.000 1.073 596 D CB 0.112 40.913 40.800 0.001 0.000 1.632 596 D HN 0.391 nan 8.370 nan 0.000 0.473 597 I N 0.938 121.507 120.570 -0.002 0.000 2.624 597 I HA 0.305 4.470 4.170 -0.007 0.000 0.277 597 I C -0.289 175.828 176.117 0.001 0.000 1.011 597 I CA 0.653 61.952 61.300 -0.001 0.000 2.219 597 I CB -0.986 37.011 38.000 -0.005 0.000 1.499 597 I HN -0.067 nan 8.210 nan 0.000 0.955 598 E N 1.712 121.916 120.200 0.006 0.000 4.039 598 E HA 0.490 4.836 4.350 -0.007 0.000 0.144 598 E C 0.182 176.793 176.600 0.018 0.000 1.036 598 E CA -0.548 55.858 56.400 0.009 0.000 0.882 598 E CB 0.584 30.287 29.700 0.005 0.000 1.874 598 E HN 0.141 nan 8.360 nan 0.000 0.392 599 K N -1.004 119.411 120.400 0.025 0.000 2.075 599 K HA -0.178 4.138 4.320 -0.007 0.000 0.144 599 K C -0.717 175.902 176.600 0.031 0.000 1.038 599 K CA 1.518 57.826 56.287 0.034 0.000 0.321 599 K CB -1.227 31.295 32.500 0.035 0.000 0.709 599 K HN 0.177 nan 8.250 nan 0.000 0.762 600 L N 2.734 123.974 121.223 0.029 0.000 2.294 600 L HA 0.328 4.663 4.340 -0.007 0.000 0.283 600 L C -0.631 176.251 176.870 0.020 0.000 1.015 600 L CA 0.597 55.452 54.840 0.024 0.000 0.831 600 L CB 0.725 42.799 42.059 0.025 0.000 1.217 600 L HN 0.738 nan 8.230 nan 0.000 0.420 601 D N 0.703 121.113 120.400 0.017 0.000 3.126 601 D HA -0.133 4.503 4.640 -0.007 0.000 0.208 601 D C 0.276 176.583 176.300 0.011 0.000 1.047 601 D CA 0.399 54.407 54.000 0.013 0.000 0.895 601 D CB -0.441 40.366 40.800 0.013 0.000 1.063 601 D HN 0.641 nan 8.370 nan 0.000 0.449 602 S N -0.282 115.425 115.700 0.012 0.000 2.571 602 S HA 0.389 4.855 4.470 -0.007 0.000 0.297 602 S C 1.492 176.095 174.600 0.006 0.000 1.234 602 S CA 0.369 58.574 58.200 0.009 0.000 1.120 602 S CB 1.614 64.820 63.200 0.010 0.000 0.923 602 S HN 0.341 nan 8.310 nan 0.000 0.504 603 G N 3.053 111.855 108.800 0.003 0.000 2.713 603 G HA2 0.068 4.024 3.960 -0.007 0.000 0.170 603 G HA3 0.068 4.024 3.960 -0.007 0.000 0.170 603 G C 0.430 175.329 174.900 -0.002 0.000 1.724 603 G CA 0.069 45.169 45.100 0.001 0.000 0.892 603 G HN 1.047 nan 8.290 nan 0.000 0.376 604 S N 0.755 116.452 115.700 -0.005 0.000 4.120 604 S HA 0.370 4.836 4.470 -0.007 0.000 0.196 604 S C 0.688 175.280 174.600 -0.013 0.000 1.447 604 S CA -0.471 57.724 58.200 -0.009 0.000 0.939 604 S CB 0.028 63.222 63.200 -0.011 0.000 1.496 604 S HN 0.427 nan 8.310 nan 0.000 0.460 605 I N 1.739 122.304 120.570 -0.008 0.000 4.139 605 I HA 0.056 4.221 4.170 -0.007 0.000 0.146 605 I C -0.056 176.060 176.117 -0.002 0.000 1.406 605 I CA 0.192 61.488 61.300 -0.007 0.000 0.971 605 I CB -0.063 37.939 38.000 0.003 0.000 1.710 605 I HN 0.468 nan 8.210 nan 0.000 0.898 606 T N 1.079 115.643 114.554 0.018 0.000 0.587 606 T HA -0.242 4.103 4.350 -0.007 0.000 0.768 606 T C -0.100 174.637 174.700 0.062 0.000 0.992 606 T CA 0.850 62.975 62.100 0.042 0.000 4.050 606 T CB -1.120 67.765 68.868 0.028 0.000 2.287 606 T HN 0.566 nan 8.240 nan 0.000 0.395 607 F N 2.618 122.547 119.950 -0.036 0.000 2.091 607 F HA -0.163 4.359 4.527 -0.007 0.000 0.299 607 F C 2.021 177.825 175.800 0.006 0.000 1.103 607 F CA 2.336 60.324 58.000 -0.021 0.000 1.228 607 F CB -0.143 38.841 39.000 -0.026 0.000 0.984 607 F HN 0.745 nan 8.300 nan 0.000 0.477 608 D N 0.054 120.610 120.400 0.260 0.000 2.221 608 D HA -0.213 4.423 4.640 -0.007 0.000 0.204 608 D C 1.857 178.184 176.300 0.044 0.000 0.982 608 D CA 1.631 55.739 54.000 0.179 0.000 0.857 608 D CB -0.285 40.591 40.800 0.126 0.000 0.934 608 D HN 0.421 nan 8.370 nan 0.000 0.475 609 D N -0.222 120.178 120.400 0.000 0.000 2.219 609 D HA -0.065 4.571 4.640 -0.007 0.000 0.205 609 D C 2.012 178.267 176.300 -0.075 0.000 0.970 609 D CA 0.343 54.326 54.000 -0.028 0.000 0.851 609 D CB 0.121 40.907 40.800 -0.022 0.000 0.943 609 D HN 0.262 nan 8.370 nan 0.000 0.488 610 L N 0.638 121.767 121.223 -0.158 0.000 2.240 610 L HA -0.102 4.234 4.340 -0.007 0.000 0.211 610 L C 2.291 179.044 176.870 -0.195 0.000 1.106 610 L CA 0.336 55.047 54.840 -0.215 0.000 0.793 610 L CB 0.213 42.054 42.059 -0.362 0.000 0.927 610 L HN -0.112 nan 8.230 nan 0.000 0.446 611 V N -0.492 119.321 119.914 -0.169 0.000 2.323 611 V HA -0.224 3.892 4.120 -0.007 0.000 0.244 611 V C 2.482 178.578 176.094 0.003 0.000 1.041 611 V CA 1.471 63.745 62.300 -0.045 0.000 1.025 611 V CB -0.602 31.292 31.823 0.119 0.000 0.656 611 V HN 0.409 nan 8.190 nan 0.000 0.451 612 R N -0.096 120.407 120.500 0.006 0.000 2.103 612 R HA -0.279 4.057 4.340 -0.007 0.000 0.234 612 R C 2.463 178.762 176.300 -0.002 0.000 1.132 612 R CA 2.250 58.356 56.100 0.011 0.000 0.925 612 R CB -0.560 29.744 30.300 0.006 0.000 0.842 612 R HN 0.459 nan 8.270 nan 0.000 0.430 613 Q N -0.725 119.063 119.800 -0.021 0.000 2.065 613 Q HA -0.199 4.136 4.340 -0.007 0.000 0.213 613 Q C 0.645 176.635 176.000 -0.017 0.000 1.012 613 Q CA 2.459 58.248 55.803 -0.023 0.000 0.876 613 Q CB -0.118 28.596 28.738 -0.040 0.000 0.954 613 Q HN 0.661 nan 8.270 nan 0.000 0.413 614 G N -1.760 107.027 108.800 -0.022 0.000 2.247 614 G HA2 -0.111 3.844 3.960 -0.007 0.000 0.111 614 G HA3 -0.111 3.844 3.960 -0.007 0.000 0.111 614 G C 0.231 175.119 174.900 -0.020 0.000 1.045 614 G CA 0.094 45.188 45.100 -0.009 0.000 0.715 614 G HN 0.113 nan 8.290 nan 0.000 0.485 615 K N -0.349 120.025 120.400 -0.044 0.000 2.412 615 K HA 0.419 4.735 4.320 -0.007 0.000 0.202 615 K C 0.831 177.393 176.600 -0.062 0.000 1.102 615 K CA 0.232 56.489 56.287 -0.049 0.000 1.027 615 K CB 0.748 33.212 32.500 -0.060 0.000 0.931 615 K HN 0.550 nan 8.250 nan 0.000 0.557 616 I N 0.755 121.270 120.570 -0.092 0.000 2.646 616 I HA 0.278 4.443 4.170 -0.007 0.000 0.299 616 I C -0.587 175.505 176.117 -0.042 0.000 1.036 616 I CA -0.653 60.581 61.300 -0.111 0.000 1.074 616 I CB 2.238 40.068 38.000 -0.283 0.000 1.258 616 I HN -0.114 nan 8.210 nan 0.000 0.430 617 E N 5.156 125.333 120.200 -0.037 0.000 2.404 617 E HA 0.254 4.600 4.350 -0.007 0.000 0.298 617 E C -1.714 174.890 176.600 0.006 0.000 0.908 617 E CA -0.548 55.882 56.400 0.050 0.000 0.808 617 E CB 1.139 30.913 29.700 0.124 0.000 1.380 617 E HN 0.414 nan 8.360 nan 0.000 0.392 618 Y N 2.808 123.163 120.300 0.092 0.000 2.597 618 Y HA 0.155 4.701 4.550 -0.007 0.000 0.336 618 Y C 0.348 176.271 175.900 0.038 0.000 1.216 618 Y CA 0.439 58.582 58.100 0.071 0.000 1.463 618 Y CB 0.583 39.093 38.460 0.084 0.000 1.303 618 Y HN 0.393 nan 8.280 nan 0.000 0.576 619 L N 3.407 124.725 121.223 0.158 0.000 2.409 619 L HA 0.302 4.638 4.340 -0.007 0.000 0.272 619 L C -0.640 176.290 176.870 0.101 0.000 0.980 619 L CA -1.070 53.821 54.840 0.085 0.000 0.826 619 L CB 1.813 43.854 42.059 -0.029 0.000 1.268 619 L HN 0.577 nan 8.230 nan 0.000 0.407 620 D N 1.956 122.419 120.400 0.105 0.000 2.357 620 D HA 0.226 4.862 4.640 -0.007 0.000 0.242 620 D C 0.977 177.348 176.300 0.118 0.000 1.153 620 D CA 0.162 54.228 54.000 0.110 0.000 0.918 620 D CB 1.880 42.743 40.800 0.105 0.000 1.181 620 D HN 0.597 nan 8.370 nan 0.000 0.435 621 A N 2.364 125.274 122.820 0.150 0.000 2.225 621 A HA -0.114 4.202 4.320 -0.007 0.000 0.215 621 A C 1.812 179.550 177.584 0.256 0.000 1.164 621 A CA 1.377 53.530 52.037 0.194 0.000 0.710 621 A CB -0.538 18.605 19.000 0.238 0.000 0.780 621 A HN 0.677 nan 8.150 nan 0.000 0.473 622 E N -0.060 120.244 120.200 0.173 0.000 2.076 622 E HA -0.098 4.248 4.350 -0.007 0.000 0.190 622 E C 1.907 178.575 176.600 0.113 0.000 0.979 622 E CA 1.355 57.822 56.400 0.110 0.000 0.807 622 E CB -0.111 29.622 29.700 0.054 0.000 0.761 622 E HN 0.693 nan 8.360 nan 0.000 0.454 623 E N 0.183 120.451 120.200 0.114 0.000 2.112 623 E HA -0.157 4.189 4.350 -0.007 0.000 0.190 623 E C 1.800 178.464 176.600 0.107 0.000 0.979 623 E CA 0.785 57.253 56.400 0.113 0.000 0.814 623 E CB -0.023 29.740 29.700 0.106 0.000 0.762 623 E HN 0.264 nan 8.360 nan 0.000 0.460 624 E N 0.362 120.615 120.200 0.088 0.000 2.273 624 E HA -0.286 4.059 4.350 -0.007 0.000 0.198 624 E C 1.650 178.309 176.600 0.098 0.000 1.002 624 E CA 1.111 57.549 56.400 0.063 0.000 0.828 624 E CB 0.079 29.812 29.700 0.055 0.000 0.747 624 E HN 0.173 nan 8.360 nan 0.000 0.491 625 E N 0.945 121.220 120.200 0.126 0.000 2.013 625 E HA -0.244 4.101 4.350 -0.007 0.000 0.202 625 E C 1.683 178.350 176.600 0.112 0.000 1.018 625 E CA 2.088 58.564 56.400 0.127 0.000 0.834 625 E CB -0.265 29.512 29.700 0.128 0.000 0.770 625 E HN 0.202 nan 8.360 nan 0.000 0.459 626 N N 0.195 118.968 118.700 0.121 0.000 2.137 626 N HA -0.113 4.622 4.740 -0.007 0.000 0.190 626 N C -0.262 175.341 175.510 0.155 0.000 1.017 626 N CA 1.195 54.324 53.050 0.130 0.000 0.859 626 N CB -0.536 38.044 38.487 0.155 0.000 1.002 626 N HN 0.300 nan 8.380 nan 0.000 0.428 627 A N -0.212 122.720 122.820 0.188 0.000 2.388 627 A HA 0.266 4.582 4.320 -0.007 0.000 0.257 627 A C -0.787 176.947 177.584 0.249 0.000 1.095 627 A CA -0.173 52.024 52.037 0.266 0.000 0.791 627 A CB -0.036 19.198 19.000 0.390 0.000 1.029 627 A HN 0.334 nan 8.150 nan 0.000 0.489 628 Y N 3.001 123.369 120.300 0.114 0.000 2.447 628 Y HA 0.521 5.067 4.550 -0.007 0.000 0.325 628 Y C -0.963 175.035 175.900 0.163 0.000 0.976 628 Y CA -0.946 57.188 58.100 0.058 0.000 1.280 628 Y CB 0.915 39.354 38.460 -0.034 0.000 1.104 628 Y HN 0.427 nan 8.280 nan 0.000 0.486 629 V N 5.516 125.347 119.914 -0.138 0.000 2.481 629 V HA 0.746 4.861 4.120 -0.007 0.000 0.286 629 V C 0.346 176.306 176.094 -0.223 0.000 1.042 629 V CA -0.628 61.614 62.300 -0.097 0.000 0.928 629 V CB 1.120 32.905 31.823 -0.064 0.000 0.986 629 V HN 0.941 nan 8.190 nan 0.000 0.462 630 A N 4.058 126.692 122.820 -0.310 0.000 2.328 630 A HA 0.595 4.910 4.320 -0.007 0.000 0.284 630 A C 0.898 178.309 177.584 -0.288 0.000 1.160 630 A CA -0.420 51.266 52.037 -0.584 0.000 0.818 630 A CB 0.328 18.803 19.000 -0.874 0.000 1.087 630 A HN 0.922 nan 8.150 nan 0.000 0.504 631 L N 0.487 121.561 121.223 -0.249 0.000 2.056 631 L HA 0.042 4.378 4.340 -0.007 0.000 0.207 631 L C 0.443 177.245 176.870 -0.113 0.000 1.078 631 L CA 1.106 55.855 54.840 -0.151 0.000 0.749 631 L CB 0.020 41.986 42.059 -0.156 0.000 0.901 631 L HN 0.620 nan 8.230 nan 0.000 0.433 632 E N -2.252 117.866 120.200 -0.136 0.000 2.363 632 E HA 0.188 4.534 4.350 -0.007 0.000 0.281 632 E C -2.040 174.494 176.600 -0.111 0.000 0.953 632 E CA -1.671 54.674 56.400 -0.092 0.000 0.778 632 E CB 1.602 31.266 29.700 -0.059 0.000 1.220 632 E HN -0.295 nan 8.360 nan 0.000 0.431 633 P HA -0.218 nan 4.420 nan 0.000 0.224 633 P C 1.019 178.281 177.300 -0.063 0.000 1.138 633 P CA 1.324 64.379 63.100 -0.076 0.000 0.780 633 P CB 0.177 31.853 31.700 -0.040 0.000 0.755 634 S N 0.359 116.023 115.700 -0.059 0.000 2.387 634 S HA -0.131 4.335 4.470 -0.007 0.000 0.226 634 S C 1.078 175.655 174.600 -0.038 0.000 1.026 634 S CA 1.113 59.288 58.200 -0.041 0.000 0.972 634 S CB -0.927 62.252 63.200 -0.034 0.000 0.814 634 S HN 0.220 nan 8.310 nan 0.000 0.477 635 D N 0.377 120.736 120.400 -0.069 0.000 2.755 635 D HA 0.270 4.906 4.640 -0.007 0.000 0.257 635 D C 0.531 176.763 176.300 -0.113 0.000 1.291 635 D CA -0.498 53.473 54.000 -0.049 0.000 0.836 635 D CB 0.184 40.962 40.800 -0.037 0.000 1.059 635 D HN 0.358 nan 8.370 nan 0.000 0.486 636 L N 0.008 121.160 121.223 -0.120 0.000 2.607 636 L HA 0.188 4.524 4.340 -0.007 0.000 0.228 636 L C 1.478 178.435 176.870 0.144 0.000 1.123 636 L CA 0.636 55.379 54.840 -0.162 0.000 0.890 636 L CB -0.384 41.587 42.059 -0.147 0.000 1.103 636 L HN 0.022 nan 8.230 nan 0.000 0.468 637 T N 0.030 114.664 114.554 0.133 0.000 2.624 637 T HA -0.102 4.244 4.350 -0.007 0.000 0.268 637 T C -0.809 173.974 174.700 0.138 0.000 1.041 637 T CA 1.361 63.529 62.100 0.113 0.000 1.159 637 T CB -1.668 67.245 68.868 0.076 0.000 0.863 637 T HN 0.406 nan 8.240 nan 0.000 0.434 638 P HA 0.238 nan 4.420 nan 0.000 0.339 638 P C -0.382 176.977 177.300 0.099 0.000 1.376 638 P CA 0.140 63.298 63.100 0.097 0.000 0.797 638 P CB 0.354 32.086 31.700 0.053 0.000 1.872 639 E N -0.760 119.469 120.200 0.048 0.000 2.341 639 E HA 0.156 4.502 4.350 -0.007 0.000 0.279 639 E C -0.276 176.402 176.600 0.129 0.000 1.395 639 E CA -0.107 56.332 56.400 0.064 0.000 1.648 639 E CB -1.181 28.532 29.700 0.021 0.000 1.524 639 E HN 0.264 nan 8.360 nan 0.000 0.462 640 H N 0.418 119.578 119.070 0.150 0.000 2.886 640 H HA 0.026 4.577 4.556 -0.007 0.000 0.329 640 H C 0.909 176.223 175.328 -0.023 0.000 1.044 640 H CA 0.523 56.576 56.048 0.008 0.000 1.456 640 H CB 1.077 30.741 29.762 -0.164 0.000 1.464 640 H HN 0.239 nan 8.280 nan 0.000 0.573 641 T N 2.841 117.440 114.554 0.075 0.000 2.937 641 T HA -0.003 4.342 4.350 -0.007 0.000 0.260 641 T C 0.616 175.065 174.700 -0.418 0.000 1.051 641 T CA 0.911 62.918 62.100 -0.155 0.000 1.141 641 T CB 0.232 69.025 68.868 -0.125 0.000 0.879 641 T HN 0.586 nan 8.240 nan 0.000 0.459 642 H N -0.551 118.542 119.070 0.038 0.000 2.821 642 H HA 0.617 5.168 4.556 -0.007 0.000 0.373 642 H C -1.232 174.065 175.328 -0.051 0.000 1.165 642 H CA -0.955 55.093 56.048 -0.000 0.000 1.154 642 H CB 2.418 32.184 29.762 0.007 0.000 1.765 642 H HN 0.066 nan 8.280 nan 0.000 0.549 643 L N 1.648 122.916 121.223 0.074 0.000 2.341 643 L HA 0.292 4.628 4.340 -0.007 0.000 0.278 643 L C -0.076 176.816 176.870 0.036 0.000 1.005 643 L CA -0.722 54.111 54.840 -0.011 0.000 0.818 643 L CB 1.322 43.362 42.059 -0.032 0.000 1.259 643 L HN 0.448 nan 8.230 nan 0.000 0.418 644 E N 4.302 124.519 120.200 0.028 0.000 2.414 644 E HA 0.027 4.372 4.350 -0.007 0.000 0.263 644 E C 0.887 177.553 176.600 0.110 0.000 1.000 644 E CA 0.383 56.840 56.400 0.094 0.000 0.914 644 E CB 1.561 31.344 29.700 0.139 0.000 0.948 644 E HN 0.661 nan 8.360 nan 0.000 0.444 645 I N 1.361 122.011 120.570 0.135 0.000 2.193 645 I HA -0.119 4.046 4.170 -0.007 0.000 0.240 645 I C 0.471 176.788 176.117 0.334 0.000 1.084 645 I CA 0.957 62.361 61.300 0.173 0.000 1.365 645 I CB 0.205 38.284 38.000 0.130 0.000 1.064 645 I HN 0.446 nan 8.210 nan 0.000 0.410 646 W N -0.313 121.030 121.300 0.071 0.000 3.268 646 W HA 0.283 4.938 4.660 -0.008 0.000 0.330 646 W C 0.922 177.507 176.519 0.110 0.000 1.074 646 W CA -0.761 56.660 57.345 0.127 0.000 1.263 646 W CB 1.153 30.722 29.460 0.181 0.000 1.250 646 W HN -0.217 nan 8.180 nan 0.000 0.425 647 S N 4.147 119.796 115.700 -0.085 0.000 2.365 647 S HA -0.154 4.312 4.470 -0.007 0.000 0.225 647 S C -1.137 173.381 174.600 -0.137 0.000 1.039 647 S CA 1.528 59.662 58.200 -0.110 0.000 1.033 647 S CB -0.917 62.169 63.200 -0.189 0.000 0.887 647 S HN 0.414 nan 8.310 nan 0.000 0.447 648 P HA 0.202 nan 4.420 nan 0.000 0.251 648 P C 0.353 177.573 177.300 -0.134 0.000 1.251 648 P CA 0.424 63.237 63.100 -0.479 0.000 0.763 648 P CB -0.215 30.800 31.700 -1.142 0.000 1.067 649 A N -0.824 122.041 122.820 0.076 0.000 2.251 649 A HA 0.030 4.345 4.320 -0.007 0.000 0.209 649 A C 1.773 179.301 177.584 -0.093 0.000 1.187 649 A CA 0.237 52.381 52.037 0.178 0.000 0.823 649 A CB -0.954 18.202 19.000 0.259 0.000 0.846 649 A HN 0.015 nan 8.150 nan 0.000 0.486 650 I N 0.392 120.814 120.570 -0.247 0.000 2.286 650 I HA -0.109 4.057 4.170 -0.007 0.000 0.248 650 I C 1.307 177.242 176.117 -0.304 0.000 1.115 650 I CA 0.811 61.844 61.300 -0.445 0.000 1.392 650 I CB -1.067 36.602 38.000 -0.552 0.000 1.065 650 I HN 0.277 nan 8.210 nan 0.000 0.418 651 L N -0.625 120.488 121.223 -0.183 0.000 2.479 651 L HA 0.370 4.705 4.340 -0.007 0.000 0.248 651 L C 0.933 177.769 176.870 -0.057 0.000 1.205 651 L CA -0.252 54.513 54.840 -0.126 0.000 0.817 651 L CB -0.080 41.945 42.059 -0.057 0.000 1.162 651 L HN 0.111 nan 8.230 nan 0.000 0.486 652 G N -0.794 107.988 108.800 -0.030 0.000 2.552 652 G HA2 0.460 4.416 3.960 -0.007 0.000 0.324 652 G HA3 0.460 4.416 3.960 -0.007 0.000 0.324 652 G C 0.728 175.643 174.900 0.025 0.000 1.217 652 G CA -0.693 44.410 45.100 0.004 0.000 0.989 652 G HN 0.538 nan 8.290 nan 0.000 0.490 653 I N 0.052 120.641 120.570 0.031 0.000 2.132 653 I HA -0.293 3.873 4.170 -0.007 0.000 0.238 653 I C 2.743 178.871 176.117 0.018 0.000 1.012 653 I CA 2.644 63.959 61.300 0.024 0.000 1.288 653 I CB -1.559 36.453 38.000 0.019 0.000 0.997 653 I HN 0.450 nan 8.210 nan 0.000 0.402 654 T N 0.720 115.286 114.554 0.020 0.000 2.668 654 T HA -0.078 4.268 4.350 -0.007 0.000 0.262 654 T C 2.058 176.758 174.700 -0.000 0.000 1.045 654 T CA 1.622 63.732 62.100 0.016 0.000 1.152 654 T CB -0.838 68.042 68.868 0.020 0.000 0.864 654 T HN 0.516 nan 8.240 nan 0.000 0.419 655 A N 1.400 124.238 122.820 0.030 0.000 2.148 655 A HA -0.124 4.192 4.320 -0.007 0.000 0.222 655 A C 2.414 180.009 177.584 0.017 0.000 1.161 655 A CA 1.668 53.746 52.037 0.068 0.000 0.662 655 A CB -0.834 18.257 19.000 0.153 0.000 0.799 655 A HN 0.427 nan 8.150 nan 0.000 0.466 656 S N -1.056 114.637 115.700 -0.011 0.000 2.603 656 S HA 0.090 4.556 4.470 -0.007 0.000 0.220 656 S C 1.286 175.826 174.600 -0.100 0.000 0.967 656 S CA 0.400 58.580 58.200 -0.033 0.000 0.920 656 S CB -0.280 62.929 63.200 0.015 0.000 0.773 656 S HN 0.502 nan 8.310 nan 0.000 0.529 657 I N 1.113 121.597 120.570 -0.144 0.000 3.059 657 I HA 0.110 4.276 4.170 -0.007 0.000 0.270 657 I C 0.269 176.238 176.117 -0.247 0.000 1.238 657 I CA 0.506 61.649 61.300 -0.261 0.000 1.478 657 I CB -0.064 37.729 38.000 -0.345 0.000 1.097 657 I HN 0.164 nan 8.210 nan 0.000 0.455 658 I N 3.746 124.198 120.570 -0.197 0.000 2.452 658 I HA 0.125 4.290 4.170 -0.007 0.000 0.287 658 I C -2.028 173.956 176.117 -0.221 0.000 1.079 658 I CA -1.644 59.517 61.300 -0.232 0.000 1.387 658 I CB 0.221 38.100 38.000 -0.203 0.000 1.404 658 I HN -0.083 nan 8.210 nan 0.000 0.522 659 P HA 0.083 nan 4.420 nan 0.000 0.282 659 P C -0.848 176.406 177.300 -0.076 0.000 1.249 659 P CA -0.304 62.639 63.100 -0.261 0.000 0.806 659 P CB 0.318 31.891 31.700 -0.211 0.000 0.984 660 Y N 0.414 120.721 120.300 0.011 0.000 2.976 660 Y HA -0.193 4.352 4.550 -0.008 0.000 0.209 660 Y C -1.240 174.728 175.900 0.113 0.000 1.200 660 Y CA -0.645 57.507 58.100 0.087 0.000 0.840 660 Y CB -2.115 36.387 38.460 0.070 0.000 1.185 660 Y HN 0.440 nan 8.280 nan 0.000 0.445 661 P HA -0.161 nan 4.420 nan 0.000 0.217 661 P C 0.615 177.948 177.300 0.056 0.000 1.151 661 P CA 1.771 64.889 63.100 0.030 0.000 0.828 661 P CB 0.166 31.847 31.700 -0.031 0.000 0.788 662 E N -1.080 119.105 120.200 -0.024 0.000 2.528 662 E HA -0.036 4.310 4.350 -0.007 0.000 0.237 662 E C 0.612 177.049 176.600 -0.272 0.000 1.408 662 E CA 0.446 56.792 56.400 -0.089 0.000 1.571 662 E CB -1.203 28.411 29.700 -0.143 0.000 1.395 662 E HN 0.434 nan 8.360 nan 0.000 0.438 663 H N -1.198 117.911 119.070 0.065 0.000 3.787 663 H HA 0.237 4.789 4.556 -0.007 0.000 0.262 663 H C -0.236 175.113 175.328 0.034 0.000 1.181 663 H CA -0.396 55.679 56.048 0.046 0.000 1.159 663 H CB 0.677 30.456 29.762 0.028 0.000 1.563 663 H HN 0.102 nan 8.280 nan 0.000 0.699 664 N N 1.557 120.336 118.700 0.132 0.000 2.472 664 N HA 0.108 4.843 4.740 -0.007 0.000 0.289 664 N C 0.140 175.663 175.510 0.021 0.000 1.156 664 N CA -0.376 52.715 53.050 0.068 0.000 0.940 664 N CB 1.831 40.353 38.487 0.058 0.000 1.200 664 N HN 0.216 nan 8.380 nan 0.000 0.511 665 Q N -0.027 119.782 119.800 0.014 0.000 2.392 665 Q HA 0.041 4.377 4.340 -0.007 0.000 0.262 665 Q C 1.181 177.157 176.000 -0.040 0.000 1.003 665 Q CA 0.125 55.936 55.803 0.014 0.000 0.888 665 Q CB 0.683 29.439 28.738 0.031 0.000 1.260 665 Q HN 0.685 nan 8.270 nan 0.000 0.435 666 S N 3.706 119.413 115.700 0.011 0.000 2.359 666 S HA -0.088 4.378 4.470 -0.007 0.000 0.223 666 S C -0.927 173.623 174.600 -0.084 0.000 1.039 666 S CA 1.659 59.874 58.200 0.025 0.000 1.042 666 S CB -0.852 62.440 63.200 0.154 0.000 0.915 666 S HN 0.775 nan 8.310 nan 0.000 0.439 667 P HA -0.097 nan 4.420 nan 0.000 0.216 667 P C 1.260 178.510 177.300 -0.083 0.000 1.153 667 P CA 1.125 64.157 63.100 -0.114 0.000 0.848 667 P CB -0.305 31.400 31.700 0.008 0.000 0.787 668 R N -0.302 120.244 120.500 0.076 0.000 2.139 668 R HA -0.097 4.239 4.340 -0.007 0.000 0.243 668 R C 1.851 178.121 176.300 -0.050 0.000 1.145 668 R CA 1.024 57.208 56.100 0.140 0.000 0.976 668 R CB -1.151 29.188 30.300 0.064 0.000 0.866 668 R HN 0.307 nan 8.270 nan 0.000 0.449 669 N N -0.187 118.322 118.700 -0.318 0.000 2.354 669 N HA -0.054 4.681 4.740 -0.007 0.000 0.179 669 N C 1.460 176.721 175.510 -0.415 0.000 1.021 669 N CA 1.117 53.822 53.050 -0.574 0.000 0.887 669 N CB -0.088 37.550 38.487 -1.415 0.000 0.974 669 N HN 0.176 nan 8.380 nan 0.000 0.437 670 T N 0.121 114.490 114.554 -0.308 0.000 2.851 670 T HA 0.005 4.351 4.350 -0.007 0.000 0.262 670 T C 1.607 176.218 174.700 -0.147 0.000 1.043 670 T CA 0.618 62.620 62.100 -0.163 0.000 1.140 670 T CB -0.305 68.463 68.868 -0.166 0.000 0.872 670 T HN 0.238 nan 8.240 nan 0.000 0.446 671 Y N 1.705 121.963 120.300 -0.069 0.000 2.053 671 Y HA -0.273 4.273 4.550 -0.007 0.000 0.277 671 Y C 2.973 178.833 175.900 -0.067 0.000 1.159 671 Y CA 1.542 59.609 58.100 -0.056 0.000 1.125 671 Y CB -0.385 38.041 38.460 -0.056 0.000 0.969 671 Y HN 0.153 nan 8.280 nan 0.000 0.492 672 Q N 0.413 120.252 119.800 0.065 0.000 2.135 672 Q HA -0.168 4.168 4.340 -0.007 0.000 0.204 672 Q C 2.040 178.021 176.000 -0.033 0.000 0.981 672 Q CA 2.239 58.025 55.803 -0.028 0.000 0.856 672 Q CB -0.474 28.198 28.738 -0.110 0.000 0.902 672 Q HN 0.316 nan 8.270 nan 0.000 0.425 673 S N -0.136 115.545 115.700 -0.032 0.000 2.382 673 S HA -0.032 4.433 4.470 -0.007 0.000 0.228 673 S C 1.609 176.212 174.600 0.006 0.000 1.027 673 S CA 1.004 59.201 58.200 -0.005 0.000 0.991 673 S CB -0.379 62.840 63.200 0.031 0.000 0.823 673 S HN 0.598 nan 8.310 nan 0.000 0.469 674 A N -0.392 122.435 122.820 0.012 0.000 2.302 674 A HA 0.409 4.724 4.320 -0.007 0.000 0.219 674 A C 1.609 179.212 177.584 0.031 0.000 1.243 674 A CA 0.174 52.223 52.037 0.020 0.000 0.856 674 A CB -0.290 18.726 19.000 0.027 0.000 0.893 674 A HN 0.431 nan 8.150 nan 0.000 0.491 675 M N -1.661 117.951 119.600 0.019 0.000 2.800 675 M HA 0.348 4.824 4.480 -0.007 0.000 0.257 675 M C 2.009 178.305 176.300 -0.006 0.000 1.309 675 M CA 1.283 56.586 55.300 0.005 0.000 1.202 675 M CB 0.152 32.746 32.600 -0.009 0.000 1.273 675 M HN 0.291 nan 8.290 nan 0.000 0.528 676 A N -0.101 122.722 122.820 0.006 0.000 2.070 676 A HA -0.139 4.176 4.320 -0.007 0.000 0.220 676 A C 1.957 179.573 177.584 0.054 0.000 1.159 676 A CA 1.515 53.582 52.037 0.050 0.000 0.656 676 A CB -0.612 18.433 19.000 0.075 0.000 0.800 676 A HN 0.486 nan 8.150 nan 0.000 0.453 677 K N -0.712 119.701 120.400 0.022 0.000 2.504 677 K HA -0.029 4.287 4.320 -0.007 0.000 0.195 677 K C 1.570 178.159 176.600 -0.020 0.000 1.036 677 K CA 0.955 57.239 56.287 -0.005 0.000 0.984 677 K CB 0.009 32.495 32.500 -0.023 0.000 0.788 677 K HN 0.614 nan 8.250 nan 0.000 0.488 678 Q N -0.930 118.872 119.800 0.003 0.000 2.214 678 Q HA 0.233 4.569 4.340 -0.007 0.000 0.229 678 Q C -0.113 175.891 176.000 0.006 0.000 0.835 678 Q CA -0.359 55.478 55.803 0.058 0.000 0.953 678 Q CB 1.193 29.941 28.738 0.017 0.000 1.131 678 Q HN 0.170 nan 8.270 nan 0.000 0.501 679 A N 0.972 123.766 122.820 -0.044 0.000 2.327 679 A HA 0.503 4.818 4.320 -0.007 0.000 0.255 679 A C -0.317 177.209 177.584 -0.095 0.000 1.099 679 A CA -0.167 51.819 52.037 -0.086 0.000 0.801 679 A CB 0.325 19.304 19.000 -0.035 0.000 1.062 679 A HN 0.281 nan 8.150 nan 0.000 0.496 680 L N 0.156 121.316 121.223 -0.105 0.000 2.346 680 L HA 0.742 5.078 4.340 -0.007 0.000 0.274 680 L C 0.717 177.584 176.870 -0.005 0.000 1.007 680 L CA -0.155 54.649 54.840 -0.060 0.000 0.818 680 L CB 1.770 43.786 42.059 -0.072 0.000 1.284 680 L HN 0.946 nan 8.230 nan 0.000 0.424 681 G N 1.876 110.688 108.800 0.020 0.000 3.454 681 G HA2 0.331 4.286 3.960 -0.007 0.000 0.162 681 G HA3 0.331 4.286 3.960 -0.007 0.000 0.162 681 G C -1.804 173.085 174.900 -0.018 0.000 1.223 681 G CA -0.300 44.803 45.100 0.005 0.000 1.394 681 G HN 0.292 nan 8.290 nan 0.000 0.709 682 L N 1.512 122.701 121.223 -0.057 0.000 2.313 682 L HA 0.652 4.988 4.340 -0.007 0.000 0.283 682 L C 0.482 177.351 176.870 -0.001 0.000 1.013 682 L CA -0.958 53.809 54.840 -0.122 0.000 0.816 682 L CB 1.697 43.646 42.059 -0.183 0.000 1.236 682 L HN 0.692 nan 8.230 nan 0.000 0.419 683 Y N 3.684 123.950 120.300 -0.056 0.000 2.507 683 Y HA 0.832 5.378 4.550 -0.007 0.000 0.263 683 Y C 0.250 176.268 175.900 0.197 0.000 1.093 683 Y CA 0.027 58.178 58.100 0.085 0.000 1.285 683 Y CB 0.131 38.607 38.460 0.026 0.000 1.115 683 Y HN 0.626 nan 8.280 nan 0.000 0.533 684 A N 0.338 122.921 122.820 -0.395 0.000 2.547 684 A HA 0.669 4.985 4.320 -0.007 0.000 0.300 684 A C 0.565 178.031 177.584 -0.197 0.000 1.061 684 A CA -0.403 51.517 52.037 -0.195 0.000 0.808 684 A CB 0.241 19.148 19.000 -0.156 0.000 1.304 684 A HN 0.603 nan 8.150 nan 0.000 0.393 685 A N 1.968 124.725 122.820 -0.104 0.000 2.076 685 A HA -0.131 4.184 4.320 -0.007 0.000 0.220 685 A C 1.380 178.930 177.584 -0.057 0.000 1.160 685 A CA 2.132 54.140 52.037 -0.050 0.000 0.653 685 A CB -0.613 18.338 19.000 -0.083 0.000 0.801 685 A HN 1.401 nan 8.150 nan 0.000 0.455 686 N N -0.668 117.968 118.700 -0.107 0.000 2.322 686 N HA -0.067 4.669 4.740 -0.007 0.000 0.194 686 N C 1.029 176.386 175.510 -0.256 0.000 1.126 686 N CA 0.614 53.564 53.050 -0.167 0.000 0.845 686 N CB -1.155 37.263 38.487 -0.115 0.000 0.976 686 N HN 0.700 nan 8.380 nan 0.000 0.475 687 Y N -0.147 119.939 120.300 -0.357 0.000 2.348 687 Y HA -0.252 4.293 4.550 -0.008 0.000 0.285 687 Y C 2.122 177.832 175.900 -0.317 0.000 1.173 687 Y CA 1.330 59.152 58.100 -0.464 0.000 1.263 687 Y CB -0.656 37.332 38.460 -0.787 0.000 0.974 687 Y HN 0.082 nan 8.280 nan 0.000 0.547 688 Q N 0.743 119.939 119.800 -1.007 0.000 2.020 688 Q HA -0.094 4.242 4.340 -0.007 0.000 0.202 688 Q C 1.722 177.490 176.000 -0.387 0.000 0.982 688 Q CA 2.144 57.486 55.803 -0.768 0.000 0.838 688 Q CB -0.290 28.068 28.738 -0.633 0.000 0.899 688 Q HN 0.601 nan 8.270 nan 0.000 0.423 689 L N 0.186 121.241 121.223 -0.281 0.000 2.558 689 L HA 0.082 4.417 4.340 -0.007 0.000 0.225 689 L C 0.562 177.352 176.870 -0.132 0.000 1.128 689 L CA 0.324 55.062 54.840 -0.169 0.000 0.868 689 L CB -0.030 41.953 42.059 -0.128 0.000 1.006 689 L HN -0.020 nan 8.230 nan 0.000 0.454 690 R N -0.575 119.836 120.500 -0.148 0.000 2.774 690 R HA 0.132 4.467 4.340 -0.007 0.000 0.269 690 R C 0.712 176.966 176.300 -0.077 0.000 1.068 690 R CA 0.301 56.353 56.100 -0.079 0.000 1.180 690 R CB 0.206 30.494 30.300 -0.020 0.000 1.077 690 R HN -0.171 nan 8.270 nan 0.000 0.513 691 T N 0.970 115.500 114.554 -0.040 0.000 3.571 691 T HA 0.121 4.466 4.350 -0.007 0.000 0.292 691 T C -0.980 173.696 174.700 -0.041 0.000 0.994 691 T CA -0.542 61.533 62.100 -0.041 0.000 0.996 691 T CB -0.169 68.685 68.868 -0.023 0.000 1.185 691 T HN 0.315 nan 8.240 nan 0.000 0.482 692 D N 1.167 121.537 120.400 -0.051 0.000 2.362 692 D HA 0.225 4.861 4.640 -0.007 0.000 0.242 692 D C 1.540 177.774 176.300 -0.110 0.000 1.132 692 D CA -0.053 53.901 54.000 -0.077 0.000 0.907 692 D CB 1.300 42.039 40.800 -0.102 0.000 1.195 692 D HN 0.129 nan 8.370 nan 0.000 0.429 693 T N 1.158 115.644 114.554 -0.115 0.000 2.595 693 T HA -0.161 4.185 4.350 -0.007 0.000 0.264 693 T C 0.965 175.554 174.700 -0.184 0.000 1.058 693 T CA 1.231 63.257 62.100 -0.123 0.000 1.166 693 T CB -0.076 68.735 68.868 -0.095 0.000 0.863 693 T HN 0.522 nan 8.240 nan 0.000 0.415 694 R N 0.047 120.392 120.500 -0.257 0.000 2.533 694 R HA 0.752 5.088 4.340 -0.007 0.000 0.288 694 R C -1.796 174.175 176.300 -0.548 0.000 1.039 694 R CA -0.938 54.864 56.100 -0.498 0.000 0.909 694 R CB 1.768 31.750 30.300 -0.529 0.000 1.195 694 R HN 0.230 nan 8.270 nan 0.000 0.438 695 A N 2.651 125.072 122.820 -0.665 0.000 2.606 695 A HA 0.616 4.931 4.320 -0.007 0.000 0.293 695 A C -1.565 175.736 177.584 -0.472 0.000 1.082 695 A CA -0.859 50.810 52.037 -0.613 0.000 0.685 695 A CB 1.680 20.144 19.000 -0.893 0.000 1.284 695 A HN 0.850 nan 8.150 nan 0.000 0.408 696 H N 0.795 119.736 119.070 -0.215 0.000 2.622 696 H HA 0.596 5.148 4.556 -0.008 0.000 0.363 696 H C -1.557 173.840 175.328 0.114 0.000 1.151 696 H CA -0.691 55.347 56.048 -0.016 0.000 1.184 696 H CB 2.191 31.911 29.762 -0.070 0.000 1.643 696 H HN 0.442 nan 8.280 nan 0.000 0.531 697 L N 3.985 125.333 121.223 0.208 0.000 2.446 697 L HA 0.199 4.535 4.340 -0.007 0.000 0.268 697 L C -1.188 175.737 176.870 0.093 0.000 0.975 697 L CA -0.815 54.082 54.840 0.096 0.000 0.848 697 L CB 1.504 43.614 42.059 0.085 0.000 1.225 697 L HN 0.437 nan 8.230 nan 0.000 0.410 698 L N 5.086 126.340 121.223 0.052 0.000 2.369 698 L HA 0.262 4.597 4.340 -0.007 0.000 0.279 698 L C 1.326 178.246 176.870 0.083 0.000 1.108 698 L CA 0.517 55.388 54.840 0.052 0.000 0.852 698 L CB 0.543 42.645 42.059 0.072 0.000 1.169 698 L HN 0.624 nan 8.230 nan 0.000 0.452 699 H N 4.351 123.390 119.070 -0.053 0.000 2.319 699 H HA -0.140 4.411 4.556 -0.008 0.000 0.299 699 H C -0.370 174.656 175.328 -0.504 0.000 1.092 699 H CA 1.679 57.556 56.048 -0.285 0.000 1.302 699 H CB -0.024 29.544 29.762 -0.323 0.000 1.373 699 H HN 0.536 nan 8.280 nan 0.000 0.497 700 Y N 1.025 121.419 120.300 0.157 0.000 2.686 700 Y HA 0.274 4.820 4.550 -0.006 0.000 0.331 700 Y C -2.213 173.723 175.900 0.059 0.000 0.996 700 Y CA -2.994 55.154 58.100 0.080 0.000 1.293 700 Y CB 0.769 39.260 38.460 0.052 0.000 1.092 700 Y HN 0.080 nan 8.280 nan 0.000 0.524 701 P HA 0.201 nan 4.420 nan 0.000 0.275 701 P C -0.821 176.564 177.300 0.142 0.000 1.266 701 P CA -0.267 62.910 63.100 0.128 0.000 0.793 701 P CB 1.473 33.207 31.700 0.056 0.000 1.074 702 Q N -0.785 119.120 119.800 0.175 0.000 2.386 702 Q HA 0.302 4.638 4.340 -0.007 0.000 0.274 702 Q C -0.627 175.476 176.000 0.172 0.000 1.011 702 Q CA -0.805 55.100 55.803 0.169 0.000 0.867 702 Q CB 2.878 31.735 28.738 0.198 0.000 1.409 702 Q HN 0.314 nan 8.270 nan 0.000 0.395 703 R N 1.889 122.421 120.500 0.054 0.000 2.784 703 R HA 0.210 4.546 4.340 -0.007 0.000 0.266 703 R C -2.160 173.983 176.300 -0.261 0.000 1.044 703 R CA -0.840 55.230 56.100 -0.051 0.000 1.151 703 R CB 0.428 30.703 30.300 -0.042 0.000 1.037 703 R HN 0.274 nan 8.270 nan 0.000 0.478 704 P HA 0.121 nan 4.420 nan 0.000 0.292 704 P C -0.874 176.263 177.300 -0.272 0.000 1.326 704 P CA -0.096 62.575 63.100 -0.715 0.000 0.787 704 P CB 0.652 31.818 31.700 -0.890 0.000 0.903 705 L N 3.768 124.912 121.223 -0.131 0.000 2.426 705 L HA 0.244 4.580 4.340 -0.007 0.000 0.271 705 L C 0.405 177.246 176.870 -0.048 0.000 1.169 705 L CA -0.592 54.214 54.840 -0.057 0.000 0.836 705 L CB 0.115 42.172 42.059 -0.004 0.000 1.112 705 L HN 0.188 nan 8.230 nan 0.000 0.465 706 V N 2.185 122.069 119.914 -0.049 0.000 3.964 706 V HA -0.220 3.896 4.120 -0.007 0.000 0.444 706 V C 0.026 176.019 176.094 -0.170 0.000 0.680 706 V CA 0.794 63.041 62.300 -0.088 0.000 1.854 706 V CB -1.777 30.037 31.823 -0.014 0.000 2.264 706 V HN 1.066 nan 8.190 nan 0.000 0.491 707 Q N 2.622 122.304 119.800 -0.197 0.000 3.017 707 Q HA 0.940 5.276 4.340 -0.007 0.000 0.299 707 Q C -0.536 175.326 176.000 -0.230 0.000 1.046 707 Q CA -0.754 54.920 55.803 -0.215 0.000 0.821 707 Q CB 2.402 31.036 28.738 -0.174 0.000 1.481 707 Q HN 0.489 nan 8.270 nan 0.000 0.494 708 T N -0.267 114.164 114.554 -0.206 0.000 2.887 708 T HA 0.383 4.728 4.350 -0.007 0.000 0.288 708 T C 0.393 174.990 174.700 -0.171 0.000 1.021 708 T CA -0.804 61.188 62.100 -0.179 0.000 1.000 708 T CB 1.662 70.437 68.868 -0.156 0.000 1.034 708 T HN 0.567 nan 8.240 nan 0.000 0.467 709 R N 1.118 121.499 120.500 -0.199 0.000 2.105 709 R HA -0.091 4.244 4.340 -0.007 0.000 0.239 709 R C 2.448 178.522 176.300 -0.377 0.000 1.135 709 R CA 1.492 57.331 56.100 -0.434 0.000 0.967 709 R CB -0.397 29.430 30.300 -0.789 0.000 0.861 709 R HN 0.728 nan 8.270 nan 0.000 0.442 710 A N 1.131 123.874 122.820 -0.129 0.000 2.015 710 A HA -0.105 4.211 4.320 -0.007 0.000 0.219 710 A C 2.015 179.580 177.584 -0.032 0.000 1.163 710 A CA 0.662 52.703 52.037 0.007 0.000 0.646 710 A CB -0.404 18.675 19.000 0.132 0.000 0.806 710 A HN 0.196 nan 8.150 nan 0.000 0.448 711 L N 0.303 121.487 121.223 -0.065 0.000 2.051 711 L HA -0.258 4.078 4.340 -0.007 0.000 0.214 711 L C 2.064 178.946 176.870 0.020 0.000 1.076 711 L CA 2.860 57.669 54.840 -0.052 0.000 0.758 711 L CB -1.077 40.916 42.059 -0.111 0.000 0.890 711 L HN 0.538 nan 8.230 nan 0.000 0.433 712 D N -0.606 119.795 120.400 0.001 0.000 2.097 712 D HA -0.171 4.465 4.640 -0.007 0.000 0.197 712 D C 2.184 178.520 176.300 0.060 0.000 0.984 712 D CA 1.038 55.057 54.000 0.033 0.000 0.826 712 D CB 0.115 40.928 40.800 0.022 0.000 0.973 712 D HN 0.273 nan 8.370 nan 0.000 0.460 713 I N 0.613 121.213 120.570 0.050 0.000 2.394 713 I HA -0.169 3.997 4.170 -0.007 0.000 0.251 713 I C 2.405 178.540 176.117 0.030 0.000 1.136 713 I CA 0.742 62.056 61.300 0.023 0.000 1.425 713 I CB -1.019 36.932 38.000 -0.082 0.000 1.079 713 I HN 0.160 nan 8.210 nan 0.000 0.425 714 I N 1.085 121.676 120.570 0.035 0.000 2.361 714 I HA -0.187 3.978 4.170 -0.007 0.000 0.251 714 I C 1.994 178.299 176.117 0.313 0.000 1.133 714 I CA 1.511 62.880 61.300 0.116 0.000 1.413 714 I CB -0.507 37.557 38.000 0.108 0.000 1.073 714 I HN 0.485 nan 8.210 nan 0.000 0.424 715 G N -0.960 108.005 108.800 0.275 0.000 2.179 715 G HA2 -0.351 3.605 3.960 -0.007 0.000 0.220 715 G HA3 -0.351 3.605 3.960 -0.007 0.000 0.220 715 G C 0.820 175.819 174.900 0.166 0.000 0.990 715 G CA 0.246 45.495 45.100 0.249 0.000 0.646 715 G HN 0.344 nan 8.290 nan 0.000 0.517 716 Y N 2.249 122.639 120.300 0.150 0.000 2.128 716 Y HA -0.181 4.365 4.550 -0.008 0.000 0.284 716 Y C 3.104 179.004 175.900 0.001 0.000 1.154 716 Y CA 3.203 61.362 58.100 0.100 0.000 1.149 716 Y CB -0.193 38.317 38.460 0.084 0.000 0.976 716 Y HN 0.349 nan 8.280 nan 0.000 0.505 717 T N -0.185 114.495 114.554 0.212 0.000 2.946 717 T HA -0.180 4.166 4.350 -0.007 0.000 0.271 717 T C 1.333 176.030 174.700 -0.006 0.000 1.104 717 T CA 1.443 63.599 62.100 0.093 0.000 1.114 717 T CB -0.248 68.644 68.868 0.039 0.000 0.867 717 T HN 0.389 nan 8.240 nan 0.000 0.513 718 N N 1.015 119.673 118.700 -0.070 0.000 2.432 718 N HA 0.100 4.836 4.740 -0.007 0.000 0.174 718 N C 0.493 175.873 175.510 -0.216 0.000 1.037 718 N CA 0.425 53.388 53.050 -0.145 0.000 0.892 718 N CB 0.346 38.717 38.487 -0.195 0.000 1.049 718 N HN 0.406 nan 8.380 nan 0.000 0.442 719 R N 0.690 121.019 120.500 -0.284 0.000 2.607 719 R HA 0.338 4.673 4.340 -0.007 0.000 0.278 719 R C -2.505 173.572 176.300 -0.371 0.000 1.637 719 R CA -1.186 54.714 56.100 -0.334 0.000 1.325 719 R CB 2.164 32.136 30.300 -0.548 0.000 1.211 719 R HN 0.118 nan 8.270 nan 0.000 0.565 720 P HA 0.375 nan 4.420 nan 0.000 0.321 720 P C -0.421 176.691 177.300 -0.313 0.000 1.304 720 P CA -0.535 62.255 63.100 -0.517 0.000 0.759 720 P CB 1.053 32.722 31.700 -0.052 0.000 1.385 721 A N -1.959 120.837 122.820 -0.040 0.000 2.569 721 A HA 0.656 4.972 4.320 -0.007 0.000 0.284 721 A C 0.334 177.983 177.584 0.109 0.000 0.948 721 A CA 0.481 52.551 52.037 0.056 0.000 1.007 721 A CB -0.407 18.641 19.000 0.079 0.000 1.232 721 A HN 0.755 nan 8.150 nan 0.000 0.530 722 G N -0.239 108.683 108.800 0.205 0.000 2.356 722 G HA2 0.425 4.380 3.960 -0.007 0.000 0.281 722 G HA3 0.425 4.380 3.960 -0.007 0.000 0.281 722 G C -1.890 173.194 174.900 0.305 0.000 1.246 722 G CA -0.529 44.662 45.100 0.152 0.000 0.889 722 G HN 0.223 nan 8.290 nan 0.000 0.486 723 N N 0.034 118.896 118.700 0.270 0.000 2.262 723 N HA 0.399 5.134 4.740 -0.007 0.000 0.295 723 N C -1.000 174.757 175.510 0.413 0.000 1.161 723 N CA -0.888 52.340 53.050 0.295 0.000 0.767 723 N CB 1.583 40.014 38.487 -0.093 0.000 1.499 723 N HN 0.402 nan 8.380 nan 0.000 0.476 724 N N 1.110 120.076 118.700 0.443 0.000 2.402 724 N HA 0.226 4.962 4.740 -0.007 0.000 0.259 724 N C -0.904 174.729 175.510 0.205 0.000 1.167 724 N CA 0.074 53.344 53.050 0.367 0.000 0.949 724 N CB 0.638 39.263 38.487 0.229 0.000 1.212 724 N HN 0.479 nan 8.380 nan 0.000 0.493 725 A N 2.666 125.617 122.820 0.220 0.000 2.306 725 A HA 0.522 4.837 4.320 -0.007 0.000 0.330 725 A C 0.256 177.897 177.584 0.094 0.000 1.146 725 A CA -0.665 51.443 52.037 0.118 0.000 0.827 725 A CB 0.630 19.699 19.000 0.116 0.000 1.178 725 A HN 0.565 nan 8.150 nan 0.000 0.490 726 I N 1.515 122.121 120.570 0.059 0.000 2.421 726 I HA 0.179 4.345 4.170 -0.007 0.000 0.291 726 I C -0.186 175.934 176.117 0.005 0.000 1.089 726 I CA 0.458 61.803 61.300 0.075 0.000 1.354 726 I CB 0.544 38.623 38.000 0.130 0.000 1.413 726 I HN 0.527 nan 8.210 nan 0.000 0.513 727 L N 7.574 128.789 121.223 -0.012 0.000 2.296 727 L HA 0.815 5.150 4.340 -0.007 0.000 0.286 727 L C -0.159 176.602 176.870 -0.182 0.000 1.023 727 L CA -0.097 54.678 54.840 -0.108 0.000 0.812 727 L CB 1.094 43.124 42.059 -0.048 0.000 1.223 727 L HN 0.644 nan 8.230 nan 0.000 0.421 728 A N 4.662 127.251 122.820 -0.384 0.000 2.330 728 A HA 0.662 4.978 4.320 -0.007 0.000 0.327 728 A C -0.747 176.678 177.584 -0.265 0.000 1.155 728 A CA -0.588 51.122 52.037 -0.545 0.000 0.803 728 A CB 1.372 19.620 19.000 -1.253 0.000 1.208 728 A HN 0.497 nan 8.150 nan 0.000 0.477 729 V N 4.339 124.157 119.914 -0.159 0.000 2.221 729 V HA 0.244 4.360 4.120 -0.007 0.000 0.258 729 V C -0.392 175.640 176.094 -0.104 0.000 1.179 729 V CA 0.313 62.512 62.300 -0.168 0.000 1.022 729 V CB -1.389 30.252 31.823 -0.303 0.000 1.228 729 V HN 0.603 nan 8.190 nan 0.000 0.487 730 I N 1.897 122.419 120.570 -0.079 0.000 2.474 730 I HA 0.482 4.648 4.170 -0.007 0.000 0.294 730 I C 0.496 176.652 176.117 0.065 0.000 1.005 730 I CA -0.642 60.655 61.300 -0.005 0.000 1.113 730 I CB 2.196 40.196 38.000 -0.001 0.000 1.289 730 I HN 0.380 nan 8.210 nan 0.000 0.436 731 S N 5.195 120.948 115.700 0.087 0.000 2.681 731 S HA 0.499 4.965 4.470 -0.007 0.000 0.313 731 S C -0.684 174.030 174.600 0.190 0.000 1.137 731 S CA -0.431 57.849 58.200 0.132 0.000 1.045 731 S CB -0.427 62.861 63.200 0.148 0.000 1.208 731 S HN 0.505 nan 8.310 nan 0.000 0.523 732 F N 2.239 122.204 119.950 0.025 0.000 2.620 732 F HA 0.657 5.181 4.527 -0.006 0.000 0.320 732 F C 0.790 176.624 175.800 0.056 0.000 1.069 732 F CA 0.249 58.269 58.000 0.033 0.000 0.953 732 F CB 1.352 40.369 39.000 0.028 0.000 1.322 732 F HN 0.694 nan 8.300 nan 0.000 0.479 733 T N 1.352 115.326 114.554 -0.966 0.000 9.146 733 T HA -0.261 4.084 4.350 -0.007 0.000 0.631 733 T C 0.943 175.513 174.700 -0.217 0.000 1.221 733 T CA 1.941 63.709 62.100 -0.554 0.000 3.343 733 T CB -1.476 67.270 68.868 -0.203 0.000 2.456 733 T HN 1.429 nan 8.240 nan 0.000 0.348 734 G N -1.191 107.541 108.800 -0.113 0.000 2.752 734 G HA2 0.226 4.182 3.960 -0.007 0.000 0.209 734 G HA3 0.226 4.182 3.960 -0.007 0.000 0.209 734 G C 0.870 175.717 174.900 -0.089 0.000 1.392 734 G CA 1.711 46.578 45.100 -0.387 0.000 0.873 734 G HN 0.885 nan 8.290 nan 0.000 0.586 735 Y N -0.895 119.380 120.300 -0.041 0.000 2.728 735 Y HA 0.096 4.641 4.550 -0.007 0.000 0.320 735 Y C 0.078 175.961 175.900 -0.028 0.000 0.900 735 Y CA -0.240 57.835 58.100 -0.041 0.000 0.942 735 Y CB -0.277 38.157 38.460 -0.044 0.000 1.426 735 Y HN 0.496 nan 8.280 nan 0.000 0.566 736 N N 0.711 119.499 118.700 0.147 0.000 2.678 736 N HA 0.489 5.225 4.740 -0.007 0.000 0.231 736 N C 0.147 175.686 175.510 0.049 0.000 1.038 736 N CA -0.133 52.962 53.050 0.074 0.000 0.932 736 N CB 1.198 39.719 38.487 0.055 0.000 1.176 736 N HN 0.177 nan 8.380 nan 0.000 0.511 737 M N 0.129 119.745 119.600 0.027 0.000 3.033 737 M HA 0.175 4.651 4.480 -0.007 0.000 0.185 737 M C -0.136 176.162 176.300 -0.003 0.000 1.978 737 M CA -0.103 55.199 55.300 0.003 0.000 1.443 737 M CB 0.479 33.060 32.600 -0.032 0.000 1.152 737 M HN 0.279 nan 8.290 nan 0.000 0.605 738 E N 2.743 122.935 120.200 -0.013 0.000 1.858 738 E HA -0.013 4.332 4.350 -0.007 0.000 0.278 738 E C -0.747 175.844 176.600 -0.015 0.000 1.172 738 E CA 0.394 56.783 56.400 -0.019 0.000 1.127 738 E CB -0.503 29.182 29.700 -0.025 0.000 1.084 738 E HN 0.374 nan 8.360 nan 0.000 0.455 739 D N 0.209 120.602 120.400 -0.010 0.000 3.068 739 D HA -0.203 4.433 4.640 -0.007 0.000 0.219 739 D C 0.117 176.420 176.300 0.005 0.000 1.175 739 D CA 1.368 55.363 54.000 -0.008 0.000 0.942 739 D CB -0.598 40.183 40.800 -0.033 0.000 1.127 739 D HN 0.370 nan 8.370 nan 0.000 0.404 740 S N -0.781 114.924 115.700 0.008 0.000 2.576 740 S HA 0.370 4.835 4.470 -0.007 0.000 0.272 740 S C 0.135 174.742 174.600 0.011 0.000 1.352 740 S CA -0.250 57.958 58.200 0.014 0.000 1.021 740 S CB 0.607 63.823 63.200 0.026 0.000 0.887 740 S HN 0.274 nan 8.310 nan 0.000 0.542 741 I N 3.388 123.951 120.570 -0.011 0.000 2.499 741 I HA 0.477 4.643 4.170 -0.007 0.000 0.288 741 I C -0.917 175.147 176.117 -0.088 0.000 1.048 741 I CA -0.547 60.721 61.300 -0.053 0.000 1.062 741 I CB 1.740 39.696 38.000 -0.073 0.000 1.238 741 I HN 0.600 nan 8.210 nan 0.000 0.426 742 I N 8.244 128.769 120.570 -0.075 0.000 2.328 742 I HA 0.402 4.567 4.170 -0.007 0.000 0.287 742 I C -0.872 175.179 176.117 -0.110 0.000 1.012 742 I CA -0.355 60.902 61.300 -0.072 0.000 1.195 742 I CB 1.194 39.205 38.000 0.018 0.000 1.350 742 I HN 0.665 nan 8.210 nan 0.000 0.464 743 M N 6.908 126.418 119.600 -0.150 0.000 2.478 743 M HA 0.310 4.786 4.480 -0.007 0.000 0.327 743 M C 0.126 176.375 176.300 -0.085 0.000 1.187 743 M CA -0.587 54.620 55.300 -0.155 0.000 1.022 743 M CB 1.179 33.634 32.600 -0.242 0.000 1.629 743 M HN 0.500 nan 8.290 nan 0.000 0.461 744 N N 2.414 121.081 118.700 -0.055 0.000 2.452 744 N HA 0.021 4.757 4.740 -0.007 0.000 0.266 744 N C 0.425 175.923 175.510 -0.019 0.000 1.175 744 N CA 0.423 53.460 53.050 -0.021 0.000 0.945 744 N CB 0.824 39.306 38.487 -0.007 0.000 1.063 744 N HN 0.732 nan 8.380 nan 0.000 0.472 745 R N 2.397 122.889 120.500 -0.014 0.000 2.093 745 R HA 0.014 4.350 4.340 -0.007 0.000 0.224 745 R C 1.394 177.694 176.300 -0.001 0.000 1.101 745 R CA 1.176 57.270 56.100 -0.011 0.000 0.979 745 R CB -0.010 30.282 30.300 -0.014 0.000 0.877 745 R HN 0.480 nan 8.270 nan 0.000 0.441 746 S N 0.147 115.847 115.700 -0.000 0.000 2.447 746 S HA -0.031 4.435 4.470 -0.007 0.000 0.233 746 S C 1.683 176.278 174.600 -0.008 0.000 1.006 746 S CA 1.222 59.421 58.200 -0.002 0.000 0.957 746 S CB 0.161 63.360 63.200 -0.002 0.000 0.773 746 S HN 0.371 nan 8.310 nan 0.000 0.507 747 S N 0.939 116.634 115.700 -0.009 0.000 2.461 747 S HA 0.053 4.518 4.470 -0.007 0.000 0.228 747 S C 1.865 176.460 174.600 -0.009 0.000 1.005 747 S CA 0.353 58.541 58.200 -0.021 0.000 0.942 747 S CB -0.110 63.075 63.200 -0.026 0.000 0.776 747 S HN 0.318 nan 8.310 nan 0.000 0.514 748 V N 1.975 121.898 119.914 0.016 0.000 2.379 748 V HA -0.113 4.003 4.120 -0.007 0.000 0.245 748 V C 2.239 178.358 176.094 0.042 0.000 1.044 748 V CA 1.563 63.891 62.300 0.046 0.000 1.036 748 V CB -0.563 31.290 31.823 0.051 0.000 0.664 748 V HN 0.422 nan 8.190 nan 0.000 0.453 749 E N -0.154 120.061 120.200 0.024 0.000 2.150 749 E HA -0.164 4.181 4.350 -0.007 0.000 0.193 749 E C 2.316 178.926 176.600 0.016 0.000 0.985 749 E CA 0.839 57.253 56.400 0.024 0.000 0.814 749 E CB -0.115 29.593 29.700 0.013 0.000 0.752 749 E HN 0.460 nan 8.360 nan 0.000 0.466 750 R N -1.205 119.291 120.500 -0.007 0.000 2.299 750 R HA 0.054 4.389 4.340 -0.007 0.000 0.197 750 R C 1.093 177.347 176.300 -0.077 0.000 0.971 750 R CA 0.655 56.731 56.100 -0.041 0.000 1.030 750 R CB 0.547 30.811 30.300 -0.060 0.000 0.932 750 R HN 0.294 nan 8.270 nan 0.000 0.477 751 G N -0.035 108.754 108.800 -0.018 0.000 2.480 751 G HA2 -0.227 3.729 3.960 -0.007 0.000 0.193 751 G HA3 -0.227 3.729 3.960 -0.007 0.000 0.193 751 G C 0.179 175.129 174.900 0.083 0.000 1.004 751 G CA -0.362 44.758 45.100 0.033 0.000 0.696 751 G HN 0.185 nan 8.290 nan 0.000 0.478 752 M N 0.901 120.493 119.600 -0.013 0.000 2.250 752 M HA 0.384 4.860 4.480 -0.007 0.000 0.337 752 M C 1.000 177.358 176.300 0.096 0.000 1.161 752 M CA 0.545 55.807 55.300 -0.063 0.000 1.088 752 M CB -0.122 32.376 32.600 -0.171 0.000 1.639 752 M HN 0.520 nan 8.290 nan 0.000 0.447 753 Y N 0.945 121.339 120.300 0.157 0.000 3.721 753 Y HA -0.302 4.245 4.550 -0.006 0.000 0.218 753 Y C 0.019 175.960 175.900 0.069 0.000 1.188 753 Y CA 0.028 58.218 58.100 0.149 0.000 1.607 753 Y CB -1.375 37.275 38.460 0.317 0.000 1.496 753 Y HN 0.613 nan 8.280 nan 0.000 0.626 754 R N 1.379 121.960 120.500 0.136 0.000 2.234 754 R HA 0.364 4.700 4.340 -0.007 0.000 0.324 754 R C 0.371 176.394 176.300 -0.461 0.000 1.054 754 R CA 0.359 56.386 56.100 -0.120 0.000 0.912 754 R CB 1.026 31.281 30.300 -0.076 0.000 1.030 754 R HN 0.267 nan 8.270 nan 0.000 0.455 755 S N 1.035 116.520 115.700 -0.358 0.000 2.766 755 S HA 0.562 5.027 4.470 -0.007 0.000 0.307 755 S C -0.232 174.226 174.600 -0.237 0.000 1.121 755 S CA -0.713 57.331 58.200 -0.259 0.000 0.980 755 S CB 2.190 65.376 63.200 -0.024 0.000 1.159 755 S HN 0.377 nan 8.310 nan 0.000 0.546 756 T N 1.658 116.173 114.554 -0.065 0.000 3.066 756 T HA 0.344 4.690 4.350 -0.007 0.000 0.318 756 T C -1.081 173.412 174.700 -0.346 0.000 0.979 756 T CA -0.350 61.655 62.100 -0.159 0.000 1.025 756 T CB 0.164 68.939 68.868 -0.156 0.000 1.002 756 T HN 0.521 nan 8.240 nan 0.000 0.453 757 F N 3.631 123.349 119.950 -0.387 0.000 2.518 757 F HA 0.546 5.069 4.527 -0.008 0.000 0.359 757 F C -0.807 174.644 175.800 -0.581 0.000 1.118 757 F CA -0.225 57.483 58.000 -0.486 0.000 1.287 757 F CB 0.319 39.159 39.000 -0.266 0.000 1.132 757 F HN 0.451 nan 8.300 nan 0.000 0.587 758 F N 5.763 125.312 119.950 -0.668 0.000 2.482 758 F HA 0.534 5.056 4.527 -0.008 0.000 0.331 758 F C 0.029 175.545 175.800 -0.473 0.000 1.115 758 F CA -0.756 57.035 58.000 -0.349 0.000 0.955 758 F CB 1.706 40.566 39.000 -0.233 0.000 1.136 758 F HN 0.383 nan 8.300 nan 0.000 0.452 759 R N 2.538 123.068 120.500 0.050 0.000 2.873 759 R HA 0.891 5.226 4.340 -0.007 0.000 0.264 759 R C -2.069 174.145 176.300 -0.143 0.000 1.026 759 R CA -0.907 55.173 56.100 -0.032 0.000 1.002 759 R CB 1.983 32.337 30.300 0.090 0.000 1.174 759 R HN 0.785 nan 8.270 nan 0.000 0.488 760 L N 2.101 123.130 121.223 -0.323 0.000 2.455 760 L HA 0.525 4.860 4.340 -0.007 0.000 0.264 760 L C -1.863 174.760 176.870 -0.411 0.000 0.968 760 L CA -0.529 54.152 54.840 -0.265 0.000 0.827 760 L CB 1.810 43.808 42.059 -0.102 0.000 1.317 760 L HN 0.664 nan 8.230 nan 0.000 0.407 761 Y N 2.102 122.429 120.300 0.046 0.000 2.446 761 Y HA 0.812 5.357 4.550 -0.007 0.000 0.345 761 Y C -0.020 175.900 175.900 0.033 0.000 0.984 761 Y CA -0.650 57.474 58.100 0.039 0.000 1.058 761 Y CB 2.380 40.864 38.460 0.040 0.000 1.220 761 Y HN 0.551 nan 8.280 nan 0.000 0.455 762 S N -0.093 115.711 115.700 0.173 0.000 2.552 762 S HA 0.836 5.301 4.470 -0.007 0.000 0.272 762 S C -1.307 173.344 174.600 0.086 0.000 1.150 762 S CA -0.975 57.290 58.200 0.109 0.000 0.849 762 S CB 1.871 65.114 63.200 0.073 0.000 1.113 762 S HN 0.511 nan 8.310 nan 0.000 0.458 763 T N 0.705 115.300 114.554 0.069 0.000 2.912 763 T HA 0.544 4.890 4.350 -0.007 0.000 0.299 763 T C -1.214 173.514 174.700 0.047 0.000 1.052 763 T CA -0.767 61.367 62.100 0.056 0.000 0.996 763 T CB 1.892 70.792 68.868 0.054 0.000 1.070 763 T HN 0.704 nan 8.240 nan 0.000 0.465 764 E N 1.460 121.685 120.200 0.041 0.000 2.259 764 E HA 0.107 4.453 4.350 -0.007 0.000 0.281 764 E C -0.336 176.285 176.600 0.035 0.000 1.027 764 E CA -0.221 56.202 56.400 0.037 0.000 0.838 764 E CB 0.965 30.686 29.700 0.034 0.000 1.066 764 E HN 0.594 nan 8.360 nan 0.000 0.401 765 E N 3.743 123.965 120.200 0.037 0.000 1.892 765 E HA 0.203 4.548 4.350 -0.007 0.000 0.271 765 E C -1.492 175.131 176.600 0.038 0.000 1.146 765 E CA -0.188 56.234 56.400 0.037 0.000 1.096 765 E CB 0.406 30.129 29.700 0.038 0.000 1.155 765 E HN 0.091 nan 8.360 nan 0.000 0.458 766 V N 4.250 124.184 119.914 0.034 0.000 2.781 766 V HA 0.146 4.261 4.120 -0.007 0.000 0.289 766 V C -1.161 174.944 176.094 0.018 0.000 1.275 766 V CA -0.608 61.715 62.300 0.038 0.000 0.936 766 V CB 1.735 33.584 31.823 0.043 0.000 1.074 766 V HN 0.493 nan 8.190 nan 0.000 0.444 767 K N 5.663 126.073 120.400 0.015 0.000 2.536 767 K HA 0.483 4.799 4.320 -0.007 0.000 0.203 767 K C -0.841 175.666 176.600 -0.154 0.000 1.063 767 K CA 0.215 56.460 56.287 -0.070 0.000 1.063 767 K CB 0.785 33.239 32.500 -0.077 0.000 0.843 767 K HN 0.633 nan 8.250 nan 0.000 0.521 768 Y N 0.424 120.735 120.300 0.019 0.000 2.713 768 Y HA 0.121 4.666 4.550 -0.007 0.000 0.276 768 Y C -2.181 173.729 175.900 0.016 0.000 1.047 768 Y CA -1.499 56.610 58.100 0.016 0.000 1.215 768 Y CB 1.574 40.042 38.460 0.014 0.000 1.134 768 Y HN -0.036 nan 8.280 nan 0.000 0.577 769 P HA 0.031 nan 4.420 nan 0.000 0.274 769 P C 0.556 177.914 177.300 0.096 0.000 1.370 769 P CA 0.894 64.053 63.100 0.099 0.000 0.760 769 P CB 0.004 31.744 31.700 0.067 0.000 1.308 770 G N -1.241 107.637 108.800 0.130 0.000 3.846 770 G HA2 0.477 4.433 3.960 -0.007 0.000 0.281 770 G HA3 0.477 4.433 3.960 -0.007 0.000 0.281 770 G C 0.300 175.223 174.900 0.038 0.000 1.384 770 G CA 0.133 45.282 45.100 0.081 0.000 0.641 770 G HN 0.339 nan 8.290 nan 0.000 0.458 771 G N 0.714 109.512 108.800 -0.005 0.000 3.145 771 G HA2 -0.166 3.790 3.960 -0.007 0.000 0.195 771 G HA3 -0.166 3.790 3.960 -0.007 0.000 0.195 771 G C 0.633 175.474 174.900 -0.099 0.000 2.278 771 G CA 0.665 45.703 45.100 -0.105 0.000 1.441 771 G HN 0.539 nan 8.290 nan 0.000 0.452 772 Q N -0.922 118.814 119.800 -0.106 0.000 2.453 772 Q HA 0.520 4.856 4.340 -0.007 0.000 0.192 772 Q C 0.104 176.163 176.000 0.097 0.000 0.965 772 Q CA 0.428 56.218 55.803 -0.020 0.000 0.836 772 Q CB 0.760 29.467 28.738 -0.053 0.000 1.069 772 Q HN 0.536 nan 8.270 nan 0.000 0.594 773 E N 1.274 121.601 120.200 0.211 0.000 7.592 773 E HA -0.106 4.239 4.350 -0.007 0.000 0.435 773 E C -1.964 174.702 176.600 0.110 0.000 0.467 773 E CA 0.271 56.765 56.400 0.157 0.000 0.881 773 E CB -0.404 29.360 29.700 0.106 0.000 0.959 773 E HN 0.364 nan 8.360 nan 0.000 0.262 774 D N 2.741 123.195 120.400 0.090 0.000 2.419 774 D HA 0.575 5.211 4.640 -0.007 0.000 0.234 774 D C 0.089 176.420 176.300 0.051 0.000 1.014 774 D CA -0.461 53.580 54.000 0.067 0.000 0.919 774 D CB 1.210 42.051 40.800 0.068 0.000 1.366 774 D HN 0.297 nan 8.370 nan 0.000 0.490 775 K N 0.161 120.588 120.400 0.046 0.000 2.400 775 K HA 0.662 4.977 4.320 -0.007 0.000 0.249 775 K C -0.466 176.160 176.600 0.043 0.000 1.069 775 K CA -0.887 55.425 56.287 0.041 0.000 0.965 775 K CB 1.259 33.781 32.500 0.036 0.000 1.365 775 K HN 0.289 nan 8.250 nan 0.000 0.539 776 I N 2.377 122.972 120.570 0.041 0.000 2.537 776 I HA 0.186 4.352 4.170 -0.007 0.000 0.276 776 I C -0.530 175.614 176.117 0.044 0.000 1.063 776 I CA -0.487 60.841 61.300 0.046 0.000 1.144 776 I CB 1.152 39.179 38.000 0.045 0.000 1.252 776 I HN 0.236 nan 8.210 nan 0.000 0.480 777 V N 4.186 124.128 119.914 0.046 0.000 4.114 777 V HA 0.499 4.614 4.120 -0.007 0.000 0.293 777 V C -0.033 176.092 176.094 0.050 0.000 1.371 777 V CA -1.120 61.204 62.300 0.039 0.000 0.929 777 V CB 1.772 33.609 31.823 0.023 0.000 1.281 777 V HN 0.636 nan 8.190 nan 0.000 0.468 778 M N 0.882 120.499 119.600 0.028 0.000 2.066 778 M HA 0.622 5.098 4.480 -0.007 0.000 0.340 778 M C -2.803 173.457 176.300 -0.065 0.000 1.053 778 M CA -1.470 53.832 55.300 0.005 0.000 0.983 778 M CB 0.789 33.393 32.600 0.006 0.000 1.520 778 M HN 0.264 nan 8.290 nan 0.000 0.428 779 P HA -0.085 nan 4.420 nan 0.000 0.266 779 P C -0.780 176.505 177.300 -0.025 0.000 1.180 779 P CA 0.273 63.392 63.100 0.032 0.000 0.765 779 P CB 0.409 32.215 31.700 0.176 0.000 0.806 780 E N 4.935 125.090 120.200 -0.077 0.000 2.299 780 E HA 0.041 4.387 4.350 -0.007 0.000 0.272 780 E C -1.546 174.738 176.600 -0.526 0.000 1.043 780 E CA -1.462 54.814 56.400 -0.207 0.000 0.895 780 E CB 0.002 29.623 29.700 -0.132 0.000 1.011 780 E HN 0.273 nan 8.360 nan 0.000 0.432 781 P HA -0.208 nan 4.420 nan 0.000 0.219 781 P C 0.372 177.028 177.300 -1.073 0.000 1.151 781 P CA 1.760 64.123 63.100 -1.228 0.000 0.850 781 P CB 0.155 31.558 31.700 -0.495 0.000 0.784 782 G N -1.276 107.206 108.800 -0.530 0.000 2.975 782 G HA2 0.276 4.232 3.960 -0.007 0.000 0.159 782 G HA3 0.276 4.232 3.960 -0.007 0.000 0.159 782 G C -0.579 174.218 174.900 -0.171 0.000 1.525 782 G CA -0.301 44.632 45.100 -0.279 0.000 1.075 782 G HN -0.047 nan 8.290 nan 0.000 0.574 783 V N 0.521 120.386 119.914 -0.082 0.000 2.800 783 V HA 0.237 4.352 4.120 -0.007 0.000 0.299 783 V C 0.448 176.539 176.094 -0.005 0.000 1.151 783 V CA 0.749 63.033 62.300 -0.027 0.000 1.297 783 V CB -0.349 31.460 31.823 -0.024 0.000 0.835 783 V HN 0.841 nan 8.190 nan 0.000 0.484 784 R N 3.567 124.094 120.500 0.045 0.000 2.594 784 R HA 0.598 4.933 4.340 -0.007 0.000 0.265 784 R C 0.308 176.659 176.300 0.085 0.000 1.070 784 R CA 0.288 56.422 56.100 0.057 0.000 0.909 784 R CB 1.426 31.745 30.300 0.032 0.000 1.243 784 R HN 1.386 nan 8.270 nan 0.000 0.455 785 G N 1.770 110.622 108.800 0.086 0.000 2.157 785 G HA2 -0.319 3.636 3.960 -0.007 0.000 0.248 785 G HA3 -0.319 3.636 3.960 -0.007 0.000 0.248 785 G C -0.480 174.481 174.900 0.102 0.000 0.979 785 G CA 0.424 45.567 45.100 0.072 0.000 0.650 785 G HN 0.624 nan 8.290 nan 0.000 0.529 786 Y N 1.552 121.859 120.300 0.011 0.000 2.597 786 Y HA 0.373 4.918 4.550 -0.007 0.000 0.336 786 Y C 1.651 177.563 175.900 0.020 0.000 1.216 786 Y CA 1.142 59.264 58.100 0.035 0.000 1.463 786 Y CB 0.595 39.061 38.460 0.010 0.000 1.303 786 Y HN 0.135 nan 8.280 nan 0.000 0.576 787 K N 3.977 124.038 120.400 -0.565 0.000 2.202 787 K HA 0.301 4.617 4.320 -0.007 0.000 0.201 787 K C 0.684 176.852 176.600 -0.720 0.000 1.051 787 K CA 0.629 56.581 56.287 -0.558 0.000 0.977 787 K CB -0.056 32.141 32.500 -0.506 0.000 0.792 787 K HN 1.008 nan 8.250 nan 0.000 0.469 788 G N 1.782 110.149 108.800 -0.721 0.000 2.712 788 G HA2 -0.173 3.783 3.960 -0.007 0.000 0.683 788 G HA3 -0.173 3.783 3.960 -0.007 0.000 0.683 788 G C -0.745 174.196 174.900 0.070 0.000 1.320 788 G CA -0.501 44.512 45.100 -0.145 0.000 0.847 788 G HN 0.037 nan 8.290 nan 0.000 0.553 789 K N -1.300 119.240 120.400 0.234 0.000 2.004 789 K HA -0.233 4.083 4.320 -0.007 0.000 0.330 789 K C 0.998 177.788 176.600 0.316 0.000 1.691 789 K CA 1.974 58.418 56.287 0.261 0.000 0.727 789 K CB -1.098 31.559 32.500 0.263 0.000 0.956 789 K HN 0.859 nan 8.250 nan 0.000 0.826 790 E N 0.418 120.767 120.200 0.248 0.000 2.365 790 E HA 0.050 4.395 4.350 -0.007 0.000 0.188 790 E C 1.188 177.829 176.600 0.068 0.000 1.102 790 E CA 0.187 56.676 56.400 0.148 0.000 0.927 790 E CB -0.373 29.364 29.700 0.061 0.000 1.073 790 E HN 0.352 nan 8.360 nan 0.000 0.467 791 Y N -1.307 118.912 120.300 -0.135 0.000 2.421 791 Y HA -0.199 4.346 4.550 -0.007 0.000 0.292 791 Y C 0.924 176.533 175.900 -0.484 0.000 1.136 791 Y CA 0.809 58.689 58.100 -0.366 0.000 1.255 791 Y CB 0.081 38.195 38.460 -0.577 0.000 0.991 791 Y HN 0.273 nan 8.280 nan 0.000 0.552 792 Y N -2.017 118.347 120.300 0.107 0.000 2.478 792 Y HA 0.076 4.622 4.550 -0.007 0.000 0.261 792 Y C 2.080 178.004 175.900 0.040 0.000 1.127 792 Y CA -0.344 57.791 58.100 0.059 0.000 1.288 792 Y CB 0.023 38.526 38.460 0.071 0.000 1.084 792 Y HN -0.191 nan 8.280 nan 0.000 0.530 793 R N 1.327 121.912 120.500 0.141 0.000 2.267 793 R HA -0.183 4.152 4.340 -0.007 0.000 0.259 793 R C 0.939 177.272 176.300 0.057 0.000 1.192 793 R CA 1.667 57.819 56.100 0.085 0.000 1.013 793 R CB -0.782 29.543 30.300 0.040 0.000 0.877 793 R HN 0.443 nan 8.270 nan 0.000 0.474 794 L N -0.478 120.770 121.223 0.041 0.000 2.693 794 L HA 0.254 4.589 4.340 -0.007 0.000 0.235 794 L C 0.036 176.931 176.870 0.041 0.000 1.127 794 L CA -0.500 54.354 54.840 0.024 0.000 0.914 794 L CB 0.141 42.194 42.059 -0.009 0.000 1.193 794 L HN -0.043 nan 8.230 nan 0.000 0.502 795 L N 1.613 122.882 121.223 0.076 0.000 2.369 795 L HA 0.148 4.483 4.340 -0.007 0.000 0.279 795 L C 0.620 177.530 176.870 0.066 0.000 1.108 795 L CA -0.189 54.701 54.840 0.083 0.000 0.852 795 L CB 0.420 42.562 42.059 0.139 0.000 1.169 795 L HN 0.117 nan 8.230 nan 0.000 0.452 796 E N 2.262 122.492 120.200 0.049 0.000 2.392 796 E HA -0.030 4.316 4.350 -0.007 0.000 0.256 796 E C 0.572 177.196 176.600 0.040 0.000 1.145 796 E CA -0.202 56.222 56.400 0.040 0.000 0.929 796 E CB 0.615 30.335 29.700 0.033 0.000 0.998 796 E HN 0.534 nan 8.360 nan 0.000 0.442 797 D N 1.356 121.776 120.400 0.032 0.000 3.725 797 D HA -0.341 4.295 4.640 -0.007 0.000 0.413 797 D C 1.230 177.548 176.300 0.029 0.000 1.205 797 D CA 2.690 56.707 54.000 0.027 0.000 1.211 797 D CB -0.652 40.161 40.800 0.022 0.000 0.901 797 D HN 0.590 nan 8.370 nan 0.000 0.578 798 N N -0.359 118.359 118.700 0.030 0.000 2.309 798 N HA 0.025 4.761 4.740 -0.007 0.000 0.182 798 N C 1.327 176.860 175.510 0.039 0.000 1.018 798 N CA 1.594 54.662 53.050 0.031 0.000 0.876 798 N CB -0.167 38.338 38.487 0.030 0.000 0.972 798 N HN 0.534 nan 8.380 nan 0.000 0.434 799 G N -1.650 107.179 108.800 0.048 0.000 2.189 799 G HA2 -0.040 3.916 3.960 -0.007 0.000 0.113 799 G HA3 -0.040 3.916 3.960 -0.007 0.000 0.113 799 G C -0.944 173.996 174.900 0.066 0.000 1.038 799 G CA -0.092 45.047 45.100 0.066 0.000 0.704 799 G HN 0.301 nan 8.290 nan 0.000 0.490 800 V N 0.900 120.846 119.914 0.054 0.000 2.760 800 V HA 0.689 4.805 4.120 -0.007 0.000 0.309 800 V C 0.963 177.080 176.094 0.039 0.000 1.077 800 V CA -0.595 61.732 62.300 0.045 0.000 0.910 800 V CB 2.027 33.875 31.823 0.041 0.000 1.008 800 V HN 1.129 nan 8.190 nan 0.000 0.424 801 V N 2.233 122.165 119.914 0.030 0.000 2.788 801 V HA 0.338 4.454 4.120 -0.007 0.000 0.307 801 V C 0.726 176.837 176.094 0.028 0.000 1.069 801 V CA -0.196 62.118 62.300 0.023 0.000 1.173 801 V CB 0.450 32.277 31.823 0.006 0.000 0.925 801 V HN 1.003 nan 8.190 nan 0.000 0.492 802 S N 4.917 120.633 115.700 0.026 0.000 2.584 802 S HA 0.305 4.770 4.470 -0.007 0.000 0.270 802 S C -1.581 173.036 174.600 0.028 0.000 1.346 802 S CA -0.580 57.636 58.200 0.026 0.000 1.018 802 S CB 0.506 63.720 63.200 0.023 0.000 0.899 802 S HN 0.872 nan 8.310 nan 0.000 0.542 803 P HA 0.279 nan 4.420 nan 0.000 0.256 803 P C -0.320 177.002 177.300 0.036 0.000 1.384 803 P CA 0.266 63.388 63.100 0.036 0.000 0.879 803 P CB 0.088 31.808 31.700 0.032 0.000 1.403 804 E N 0.225 120.443 120.200 0.030 0.000 4.129 804 E HA 0.234 4.580 4.350 -0.007 0.000 0.222 804 E C -0.907 175.707 176.600 0.024 0.000 1.179 804 E CA -0.302 56.115 56.400 0.029 0.000 1.334 804 E CB 1.451 31.165 29.700 0.024 0.000 1.202 804 E HN -0.027 nan 8.360 nan 0.000 0.428 805 V N 0.306 120.234 119.914 0.024 0.000 2.680 805 V HA 0.349 4.465 4.120 -0.007 0.000 0.309 805 V C 0.436 176.537 176.094 0.012 0.000 1.052 805 V CA -1.064 61.244 62.300 0.014 0.000 0.908 805 V CB 2.322 34.149 31.823 0.008 0.000 1.001 805 V HN 0.161 nan 8.190 nan 0.000 0.431 806 E N 1.875 122.077 120.200 0.004 0.000 2.392 806 E HA 0.463 4.809 4.350 -0.007 0.000 0.264 806 E C -1.044 175.545 176.600 -0.019 0.000 1.024 806 E CA -0.087 56.311 56.400 -0.003 0.000 0.903 806 E CB 1.469 31.164 29.700 -0.007 0.000 0.963 806 E HN 0.425 nan 8.360 nan 0.000 0.432 807 V N 3.378 123.278 119.914 -0.023 0.000 2.655 807 V HA 0.259 4.375 4.120 -0.007 0.000 0.301 807 V C -0.419 175.642 176.094 -0.056 0.000 1.082 807 V CA -0.743 61.528 62.300 -0.048 0.000 0.899 807 V CB 1.778 33.576 31.823 -0.041 0.000 1.014 807 V HN 0.572 nan 8.190 nan 0.000 0.429 808 K N 1.800 122.146 120.400 -0.091 0.000 2.208 808 K HA 0.864 5.179 4.320 -0.007 0.000 0.240 808 K C 1.245 177.760 176.600 -0.141 0.000 1.088 808 K CA 0.232 56.459 56.287 -0.101 0.000 0.902 808 K CB 0.752 33.192 32.500 -0.101 0.000 1.355 808 K HN 0.676 nan 8.250 nan 0.000 0.526 809 G N 0.241 108.945 108.800 -0.159 0.000 3.562 809 G HA2 -0.332 3.624 3.960 -0.007 0.000 0.296 809 G HA3 -0.332 3.624 3.960 -0.007 0.000 0.296 809 G C 0.525 175.315 174.900 -0.182 0.000 0.884 809 G CA 1.195 46.168 45.100 -0.210 0.000 0.739 809 G HN 0.662 nan 8.290 nan 0.000 1.278 810 G N 0.263 108.935 108.800 -0.214 0.000 4.403 810 G HA2 0.498 4.454 3.960 -0.007 0.000 0.297 810 G HA3 0.498 4.454 3.960 -0.007 0.000 0.297 810 G C -0.927 173.808 174.900 -0.275 0.000 1.325 810 G CA -0.011 44.995 45.100 -0.156 0.000 1.378 810 G HN 0.383 nan 8.290 nan 0.000 0.595 811 D N 0.384 120.637 120.400 -0.245 0.000 2.175 811 D HA 0.360 4.995 4.640 -0.007 0.000 0.248 811 D C 0.304 176.480 176.300 -0.206 0.000 1.047 811 D CA -0.275 53.574 54.000 -0.252 0.000 0.883 811 D CB 2.417 43.090 40.800 -0.212 0.000 1.180 811 D HN -0.005 nan 8.370 nan 0.000 0.438 812 V N 3.175 122.962 119.914 -0.212 0.000 2.508 812 V HA 0.097 4.213 4.120 -0.007 0.000 0.281 812 V C 1.214 177.239 176.094 -0.115 0.000 1.041 812 V CA 0.017 62.215 62.300 -0.169 0.000 1.016 812 V CB 0.839 32.541 31.823 -0.203 0.000 0.984 812 V HN 0.484 nan 8.190 nan 0.000 0.478 813 L N 4.907 126.055 121.223 -0.124 0.000 2.445 813 L HA 0.413 4.749 4.340 -0.007 0.000 0.207 813 L C 0.319 177.175 176.870 -0.024 0.000 1.053 813 L CA 0.674 55.456 54.840 -0.098 0.000 0.841 813 L CB 0.261 42.202 42.059 -0.197 0.000 1.074 813 L HN 0.441 nan 8.230 nan 0.000 0.479 814 I N 0.209 120.771 120.570 -0.012 0.000 2.410 814 I HA 0.384 4.550 4.170 -0.007 0.000 0.286 814 I C 0.157 176.307 176.117 0.056 0.000 1.009 814 I CA -0.437 60.883 61.300 0.033 0.000 1.111 814 I CB 1.580 39.604 38.000 0.041 0.000 1.262 814 I HN -0.071 nan 8.210 nan 0.000 0.443 815 G N 5.468 114.321 108.800 0.089 0.000 2.339 815 G HA2 0.517 4.472 3.960 -0.007 0.000 0.287 815 G HA3 0.517 4.472 3.960 -0.007 0.000 0.287 815 G C -0.780 174.178 174.900 0.096 0.000 1.163 815 G CA -0.303 44.876 45.100 0.131 0.000 0.872 815 G HN 0.572 nan 8.290 nan 0.000 0.464 816 K N 1.449 121.905 120.400 0.094 0.000 2.508 816 K HA 0.645 4.961 4.320 -0.007 0.000 0.260 816 K C -1.482 175.161 176.600 0.071 0.000 0.949 816 K CA -0.658 55.672 56.287 0.071 0.000 0.834 816 K CB 2.723 35.257 32.500 0.057 0.000 1.365 816 K HN 0.317 nan 8.250 nan 0.000 0.437 817 V N 1.446 121.395 119.914 0.059 0.000 2.735 817 V HA 0.507 4.623 4.120 -0.007 0.000 0.310 817 V C -0.765 175.357 176.094 0.046 0.000 1.061 817 V CA -0.723 61.611 62.300 0.056 0.000 0.913 817 V CB 2.075 33.930 31.823 0.054 0.000 1.005 817 V HN 0.852 nan 8.190 nan 0.000 0.428 818 S N 3.622 119.347 115.700 0.042 0.000 2.638 818 S HA 0.736 5.202 4.470 -0.007 0.000 0.302 818 S C -2.852 171.781 174.600 0.055 0.000 1.096 818 S CA -1.301 56.919 58.200 0.033 0.000 0.953 818 S CB 2.372 65.570 63.200 -0.003 0.000 1.107 818 S HN 0.581 nan 8.310 nan 0.000 0.503 819 P HA 0.434 nan 4.420 nan 0.000 0.276 819 P C -2.527 174.856 177.300 0.138 0.000 1.244 819 P CA -1.276 61.917 63.100 0.156 0.000 0.801 819 P CB -0.165 31.739 31.700 0.340 0.000 1.006 835 K N -0.501 119.917 120.400 0.030 0.000 6.995 835 K HA -0.078 4.238 4.320 -0.007 0.000 0.597 835 K C -0.356 176.271 176.600 0.044 0.000 2.558 835 K CA 0.546 56.858 56.287 0.041 0.000 2.005 835 K CB -0.318 32.205 32.500 0.039 0.000 2.517 835 K HN 0.732 nan 8.250 nan 0.000 0.266 836 R N 0.696 121.224 120.500 0.047 0.000 2.983 836 R HA 0.132 4.468 4.340 -0.007 0.000 0.241 836 R C 0.931 177.265 176.300 0.057 0.000 1.202 836 R CA 0.317 56.442 56.100 0.043 0.000 1.080 836 R CB 0.205 30.523 30.300 0.029 0.000 1.019 836 R HN 0.773 nan 8.270 nan 0.000 0.527 837 D N -1.659 118.774 120.400 0.054 0.000 2.874 837 D HA -0.019 4.617 4.640 -0.007 0.000 0.165 837 D C -0.697 175.633 176.300 0.051 0.000 1.410 837 D CA 0.584 54.626 54.000 0.069 0.000 1.561 837 D CB 0.498 41.348 40.800 0.083 0.000 1.417 837 D HN 0.523 nan 8.370 nan 0.000 0.196 838 T N 1.083 115.661 114.554 0.039 0.000 3.720 838 T HA -0.134 4.212 4.350 -0.007 0.000 0.381 838 T C 0.224 174.946 174.700 0.038 0.000 0.763 838 T CA 0.694 62.811 62.100 0.029 0.000 1.957 838 T CB -2.368 66.511 68.868 0.018 0.000 1.767 838 T HN 0.362 nan 8.240 nan 0.000 0.743 839 S N -0.644 115.084 115.700 0.048 0.000 2.601 839 S HA 0.668 5.133 4.470 -0.007 0.000 0.271 839 S C 0.405 175.021 174.600 0.028 0.000 1.305 839 S CA -1.263 56.968 58.200 0.052 0.000 1.022 839 S CB 1.048 64.300 63.200 0.088 0.000 0.940 839 S HN 0.305 nan 8.310 nan 0.000 0.525 840 I N 2.063 122.647 120.570 0.024 0.000 2.588 840 I HA 0.235 4.401 4.170 -0.007 0.000 0.283 840 I C -0.152 175.926 176.117 -0.065 0.000 1.119 840 I CA 0.487 61.791 61.300 0.006 0.000 1.419 840 I CB 0.593 38.617 38.000 0.040 0.000 1.394 840 I HN 0.490 nan 8.210 nan 0.000 0.562 841 V N 4.749 124.614 119.914 -0.082 0.000 2.914 841 V HA 0.410 4.526 4.120 -0.007 0.000 0.314 841 V C -0.076 175.881 176.094 -0.228 0.000 1.084 841 V CA -1.006 61.212 62.300 -0.137 0.000 0.963 841 V CB 2.126 33.918 31.823 -0.052 0.000 1.025 841 V HN 0.749 nan 8.190 nan 0.000 0.432 842 T N 3.764 118.138 114.554 -0.300 0.000 2.934 842 T HA 0.122 4.468 4.350 -0.007 0.000 0.306 842 T C 0.503 175.206 174.700 0.005 0.000 1.042 842 T CA -0.294 61.635 62.100 -0.285 0.000 1.145 842 T CB -0.027 68.728 68.868 -0.188 0.000 0.982 842 T HN 0.481 nan 8.240 nan 0.000 0.544 843 R N 1.932 122.566 120.500 0.224 0.000 2.758 843 R HA -0.025 4.311 4.340 -0.007 0.000 0.263 843 R C 1.604 177.983 176.300 0.131 0.000 1.010 843 R CA -0.094 56.136 56.100 0.217 0.000 1.114 843 R CB 0.094 30.533 30.300 0.233 0.000 0.985 843 R HN 0.781 nan 8.270 nan 0.000 0.439 844 H N 1.587 120.684 119.070 0.045 0.000 2.253 844 H HA -0.079 4.473 4.556 -0.007 0.000 0.299 844 H C 1.253 176.590 175.328 0.015 0.000 1.064 844 H CA 2.099 58.162 56.048 0.025 0.000 1.264 844 H CB 0.102 29.883 29.762 0.031 0.000 1.371 844 H HN 0.714 nan 8.280 nan 0.000 0.493 845 G N 0.621 109.432 108.800 0.019 0.000 3.379 845 G HA2 0.074 4.030 3.960 -0.007 0.000 0.253 845 G HA3 0.074 4.030 3.960 -0.007 0.000 0.253 845 G C -0.084 174.786 174.900 -0.049 0.000 1.262 845 G CA -0.216 44.860 45.100 -0.040 0.000 0.959 845 G HN 0.440 nan 8.290 nan 0.000 0.524 846 E N -0.543 119.629 120.200 -0.046 0.000 2.281 846 E HA 0.756 5.102 4.350 -0.007 0.000 0.257 846 E C 0.285 176.867 176.600 -0.030 0.000 0.971 846 E CA -0.714 55.670 56.400 -0.027 0.000 0.839 846 E CB 1.758 31.476 29.700 0.030 0.000 1.238 846 E HN 0.317 nan 8.360 nan 0.000 0.412 847 M N -1.692 117.901 119.600 -0.010 0.000 3.814 847 M HA 0.757 5.232 4.480 -0.007 0.000 0.394 847 M C -0.209 176.106 176.300 0.026 0.000 1.782 847 M CA -0.444 54.852 55.300 -0.006 0.000 0.824 847 M CB 1.340 33.925 32.600 -0.025 0.000 2.614 847 M HN 0.672 nan 8.290 nan 0.000 0.463 848 G N 0.542 109.353 108.800 0.019 0.000 2.422 848 G HA2 0.177 4.133 3.960 -0.007 0.000 0.607 848 G HA3 0.177 4.133 3.960 -0.007 0.000 0.607 848 G C -1.871 173.054 174.900 0.041 0.000 1.270 848 G CA -0.600 44.521 45.100 0.035 0.000 0.992 848 G HN 0.908 nan 8.290 nan 0.000 0.499 849 I N -0.121 120.482 120.570 0.055 0.000 2.603 849 I HA 0.482 4.647 4.170 -0.007 0.000 0.300 849 I C 0.674 176.844 176.117 0.088 0.000 1.017 849 I CA -1.253 60.081 61.300 0.057 0.000 1.098 849 I CB 2.138 40.166 38.000 0.047 0.000 1.279 849 I HN 0.439 nan 8.210 nan 0.000 0.437 850 V N 4.197 124.159 119.914 0.080 0.000 2.585 850 V HA -0.026 4.090 4.120 -0.007 0.000 0.296 850 V C 0.495 176.649 176.094 0.101 0.000 1.035 850 V CA 0.443 62.802 62.300 0.099 0.000 1.084 850 V CB 1.005 32.871 31.823 0.072 0.000 0.953 850 V HN 0.836 nan 8.190 nan 0.000 0.483 851 D N 3.118 123.595 120.400 0.128 0.000 2.463 851 D HA 0.149 4.785 4.640 -0.007 0.000 0.237 851 D C -0.090 176.257 176.300 0.077 0.000 1.013 851 D CA 0.272 54.349 54.000 0.129 0.000 0.910 851 D CB 0.560 41.496 40.800 0.226 0.000 1.080 851 D HN 0.378 nan 8.370 nan 0.000 0.498 852 L N 0.880 122.146 121.223 0.073 0.000 2.526 852 L HA 0.505 4.841 4.340 -0.007 0.000 0.263 852 L C -1.752 175.148 176.870 0.050 0.000 0.943 852 L CA -0.697 54.167 54.840 0.040 0.000 0.859 852 L CB 2.119 44.185 42.059 0.012 0.000 1.313 852 L HN -0.234 nan 8.230 nan 0.000 0.406 853 V N 5.354 125.291 119.914 0.038 0.000 2.581 853 V HA 0.644 4.760 4.120 -0.007 0.000 0.303 853 V C -0.628 175.485 176.094 0.031 0.000 1.041 853 V CA -0.581 61.744 62.300 0.042 0.000 0.907 853 V CB 1.838 33.684 31.823 0.039 0.000 0.994 853 V HN 0.737 nan 8.190 nan 0.000 0.442 854 L N 5.208 126.452 121.223 0.035 0.000 2.464 854 L HA 0.716 5.052 4.340 -0.007 0.000 0.266 854 L C -1.790 175.099 176.870 0.032 0.000 0.965 854 L CA -0.369 54.487 54.840 0.028 0.000 0.833 854 L CB 1.861 43.934 42.059 0.024 0.000 1.296 854 L HN 0.595 nan 8.230 nan 0.000 0.405 855 I N 4.454 125.041 120.570 0.028 0.000 2.468 855 I HA 0.691 4.857 4.170 -0.007 0.000 0.285 855 I C -0.167 175.967 176.117 0.028 0.000 1.039 855 I CA 0.204 61.522 61.300 0.030 0.000 1.074 855 I CB 2.043 40.060 38.000 0.029 0.000 1.228 855 I HN 0.601 nan 8.210 nan 0.000 0.436 856 T N 2.891 117.463 114.554 0.030 0.000 2.627 856 T HA 0.538 4.883 4.350 -0.007 0.000 0.294 856 T C -1.126 173.593 174.700 0.032 0.000 1.230 856 T CA -0.931 61.187 62.100 0.030 0.000 1.084 856 T CB 1.736 70.622 68.868 0.030 0.000 1.693 856 T HN 0.424 nan 8.240 nan 0.000 0.465 857 E N 0.739 120.959 120.200 0.033 0.000 2.383 857 E HA 0.530 4.876 4.350 -0.007 0.000 0.275 857 E C -0.627 175.995 176.600 0.037 0.000 0.918 857 E CA -0.761 55.660 56.400 0.034 0.000 0.764 857 E CB 2.228 31.948 29.700 0.032 0.000 1.252 857 E HN 0.763 nan 8.360 nan 0.000 0.449 858 T N -1.301 113.277 114.554 0.039 0.000 2.753 858 T HA 0.294 4.640 4.350 -0.007 0.000 0.309 858 T C 1.315 176.040 174.700 0.042 0.000 1.043 858 T CA 0.034 62.160 62.100 0.042 0.000 0.964 858 T CB 0.611 69.506 68.868 0.044 0.000 1.206 858 T HN 0.523 nan 8.240 nan 0.000 0.528 859 A N 0.112 122.960 122.820 0.046 0.000 1.933 859 A HA -0.077 4.239 4.320 -0.007 0.000 0.218 859 A C 2.169 179.777 177.584 0.040 0.000 1.175 859 A CA 1.332 53.396 52.037 0.045 0.000 0.628 859 A CB -0.936 18.094 19.000 0.051 0.000 0.814 859 A HN 0.905 nan 8.150 nan 0.000 0.444 860 E N -1.085 119.139 120.200 0.041 0.000 2.478 860 E HA 0.176 4.522 4.350 -0.007 0.000 0.198 860 E C 0.901 177.521 176.600 0.035 0.000 1.046 860 E CA 0.312 56.735 56.400 0.038 0.000 0.870 860 E CB -0.256 29.468 29.700 0.040 0.000 0.818 860 E HN 0.780 nan 8.360 nan 0.000 0.527 861 G N 2.295 111.116 108.800 0.035 0.000 2.291 861 G HA2 -0.194 3.762 3.960 -0.007 0.000 0.271 861 G HA3 -0.194 3.762 3.960 -0.007 0.000 0.271 861 G C -0.496 174.424 174.900 0.034 0.000 1.099 861 G CA -0.285 44.834 45.100 0.033 0.000 0.919 861 G HN 0.084 nan 8.290 nan 0.000 0.496 862 N N 0.243 118.964 118.700 0.036 0.000 2.400 862 N HA 0.309 5.045 4.740 -0.007 0.000 0.288 862 N C 0.144 175.676 175.510 0.036 0.000 1.024 862 N CA -0.608 52.464 53.050 0.036 0.000 0.894 862 N CB 1.518 40.028 38.487 0.038 0.000 1.173 862 N HN 0.366 nan 8.380 nan 0.000 0.487 863 K N 2.691 123.112 120.400 0.035 0.000 2.245 863 K HA 0.051 4.366 4.320 -0.007 0.000 0.281 863 K C -0.581 176.042 176.600 0.037 0.000 1.079 863 K CA -0.119 56.189 56.287 0.035 0.000 1.000 863 K CB -0.081 32.440 32.500 0.034 0.000 1.038 863 K HN 0.382 nan 8.250 nan 0.000 0.430 864 L N 4.877 126.123 121.223 0.037 0.000 2.307 864 L HA 0.358 4.694 4.340 -0.007 0.000 0.282 864 L C -1.167 175.728 176.870 0.041 0.000 1.051 864 L CA -0.466 54.398 54.840 0.040 0.000 0.804 864 L CB 1.704 43.786 42.059 0.039 0.000 1.197 864 L HN 0.256 nan 8.230 nan 0.000 0.431 865 V N 4.883 124.824 119.914 0.046 0.000 2.482 865 V HA 0.425 4.541 4.120 -0.007 0.000 0.295 865 V C -0.588 175.542 176.094 0.060 0.000 1.026 865 V CA -0.838 61.492 62.300 0.050 0.000 0.856 865 V CB 1.612 33.466 31.823 0.051 0.000 1.001 865 V HN 0.648 nan 8.190 nan 0.000 0.424 866 K N 3.830 124.264 120.400 0.057 0.000 2.265 866 K HA 0.723 5.039 4.320 -0.007 0.000 0.267 866 K C -1.189 175.459 176.600 0.081 0.000 0.994 866 K CA -0.592 55.736 56.287 0.068 0.000 0.860 866 K CB 2.369 34.896 32.500 0.046 0.000 1.099 866 K HN 0.419 nan 8.250 nan 0.000 0.448 867 V N 4.591 124.580 119.914 0.125 0.000 2.409 867 V HA 0.372 4.488 4.120 -0.007 0.000 0.291 867 V C -0.145 176.081 176.094 0.220 0.000 1.020 867 V CA -0.802 61.584 62.300 0.145 0.000 0.848 867 V CB 1.373 33.274 31.823 0.129 0.000 0.990 867 V HN 0.778 nan 8.190 nan 0.000 0.430 868 R N 3.884 124.485 120.500 0.169 0.000 2.828 868 R HA 0.918 5.254 4.340 -0.007 0.000 0.264 868 R C -1.852 174.583 176.300 0.225 0.000 1.022 868 R CA -0.732 55.476 56.100 0.180 0.000 1.021 868 R CB 2.180 32.541 30.300 0.102 0.000 1.163 868 R HN 0.336 nan 8.270 nan 0.000 0.494 869 V N 2.517 122.582 119.914 0.251 0.000 2.569 869 V HA 0.386 4.501 4.120 -0.007 0.000 0.301 869 V C -0.470 175.759 176.094 0.226 0.000 1.044 869 V CA -0.943 61.508 62.300 0.252 0.000 0.874 869 V CB 1.549 33.580 31.823 0.347 0.000 1.002 869 V HN 0.884 nan 8.190 nan 0.000 0.424 870 R N 1.929 122.540 120.500 0.185 0.000 2.457 870 R HA 0.804 5.140 4.340 -0.007 0.000 0.284 870 R C -1.189 175.101 176.300 -0.016 0.000 1.024 870 R CA -0.659 55.451 56.100 0.017 0.000 1.025 870 R CB 1.645 31.966 30.300 0.034 0.000 1.063 870 R HN 0.511 nan 8.270 nan 0.000 0.493 871 D N 2.167 122.511 120.400 -0.094 0.000 2.863 871 D HA 0.234 4.870 4.640 -0.007 0.000 0.245 871 D C -1.125 175.157 176.300 -0.031 0.000 1.211 871 D CA -0.685 53.304 54.000 -0.018 0.000 0.888 871 D CB 1.753 42.570 40.800 0.030 0.000 1.483 871 D HN 0.539 nan 8.370 nan 0.000 0.533 872 L N 3.549 124.778 121.223 0.010 0.000 2.380 872 L HA 0.394 4.730 4.340 -0.007 0.000 0.273 872 L C -0.106 176.777 176.870 0.022 0.000 1.138 872 L CA -0.308 54.558 54.840 0.044 0.000 0.832 872 L CB 0.235 42.341 42.059 0.079 0.000 1.124 872 L HN 0.229 nan 8.230 nan 0.000 0.454 873 R N 6.223 126.724 120.500 0.003 0.000 2.415 873 R HA 0.357 4.693 4.340 -0.007 0.000 0.292 873 R C -1.229 175.073 176.300 0.004 0.000 1.295 873 R CA -0.653 55.449 56.100 0.003 0.000 1.137 873 R CB 0.479 30.789 30.300 0.016 0.000 1.135 873 R HN 0.443 nan 8.270 nan 0.000 0.560 874 I N 3.134 123.725 120.570 0.035 0.000 2.312 874 I HA 0.262 4.428 4.170 -0.007 0.000 0.291 874 I C -1.813 174.353 176.117 0.082 0.000 1.031 874 I CA -2.297 59.039 61.300 0.060 0.000 1.293 874 I CB 0.523 38.559 38.000 0.060 0.000 1.403 874 I HN 0.133 nan 8.210 nan 0.000 0.484 875 P HA 0.033 nan 4.420 nan 0.000 0.258 875 P C -0.545 176.814 177.300 0.099 0.000 1.187 875 P CA 0.254 63.468 63.100 0.189 0.000 0.767 875 P CB 0.315 32.208 31.700 0.322 0.000 0.770 876 S N 2.639 118.388 115.700 0.082 0.000 2.715 876 S HA 0.568 5.034 4.470 -0.007 0.000 0.307 876 S C 0.066 174.672 174.600 0.011 0.000 1.119 876 S CA -1.112 57.106 58.200 0.030 0.000 0.937 876 S CB 0.595 63.810 63.200 0.025 0.000 1.150 876 S HN 0.144 nan 8.310 nan 0.000 0.521 877 I N 2.156 122.717 120.570 -0.015 0.000 2.769 877 I HA 0.377 4.543 4.170 -0.007 0.000 0.285 877 I C 1.445 177.563 176.117 0.002 0.000 1.173 877 I CA 1.656 62.941 61.300 -0.025 0.000 1.389 877 I CB -0.618 37.360 38.000 -0.037 0.000 1.404 877 I HN 1.124 nan 8.210 nan 0.000 0.544 878 G N 3.616 112.424 108.800 0.013 0.000 2.545 878 G HA2 -0.181 3.775 3.960 -0.007 0.000 0.195 878 G HA3 -0.181 3.775 3.960 -0.007 0.000 0.195 878 G C 0.015 174.950 174.900 0.058 0.000 1.009 878 G CA -0.642 44.475 45.100 0.028 0.000 0.703 878 G HN 0.490 nan 8.290 nan 0.000 0.479 879 D N 1.550 122.011 120.400 0.101 0.000 2.425 879 D HA 0.309 4.945 4.640 -0.007 0.000 0.247 879 D C 0.406 176.866 176.300 0.268 0.000 1.147 879 D CA 0.410 54.517 54.000 0.179 0.000 0.879 879 D CB 1.312 42.288 40.800 0.293 0.000 1.179 879 D HN 0.393 nan 8.370 nan 0.000 0.456 880 K N 2.868 123.361 120.400 0.154 0.000 2.276 880 K HA 0.224 4.540 4.320 -0.007 0.000 0.285 880 K C -1.020 175.653 176.600 0.122 0.000 1.062 880 K CA -0.330 56.042 56.287 0.141 0.000 0.918 880 K CB 0.324 32.855 32.500 0.051 0.000 1.055 880 K HN 0.124 nan 8.250 nan 0.000 0.477 881 F N 1.700 121.608 119.950 -0.070 0.000 2.556 881 F HA 0.676 5.198 4.527 -0.008 0.000 0.327 881 F C 0.180 175.949 175.800 -0.053 0.000 1.059 881 F CA -0.800 57.150 58.000 -0.085 0.000 0.953 881 F CB 2.095 41.056 39.000 -0.065 0.000 1.227 881 F HN 0.556 nan 8.300 nan 0.000 0.478 882 A N 0.475 123.319 122.820 0.040 0.000 2.572 882 A HA 0.690 5.006 4.320 -0.007 0.000 0.295 882 A C -0.406 176.920 177.584 -0.431 0.000 1.072 882 A CA -0.283 51.687 52.037 -0.112 0.000 0.691 882 A CB 1.347 20.283 19.000 -0.107 0.000 1.291 882 A HN 0.830 nan 8.150 nan 0.000 0.404 883 S N 0.402 115.722 115.700 -0.634 0.000 2.546 883 S HA 0.377 4.843 4.470 -0.007 0.000 0.265 883 S C 0.756 175.138 174.600 -0.365 0.000 1.190 883 S CA 0.188 57.874 58.200 -0.856 0.000 1.014 883 S CB 0.434 63.271 63.200 -0.604 0.000 1.087 883 S HN 0.724 nan 8.310 nan 0.000 0.525 884 R N -0.564 119.803 120.500 -0.222 0.000 2.388 884 R HA 0.258 4.594 4.340 -0.007 0.000 0.247 884 R C 0.245 176.196 176.300 -0.581 0.000 0.931 884 R CA 0.096 55.995 56.100 -0.334 0.000 1.082 884 R CB -0.116 30.004 30.300 -0.298 0.000 1.135 884 R HN 0.695 nan 8.270 nan 0.000 0.525 885 H N -1.942 117.056 119.070 -0.120 0.000 2.665 885 H HA 0.215 4.766 4.556 -0.008 0.000 0.248 885 H C 0.588 175.870 175.328 -0.077 0.000 1.175 885 H CA 0.311 56.306 56.048 -0.087 0.000 0.952 885 H CB 1.477 31.203 29.762 -0.060 0.000 1.883 885 H HN 0.338 nan 8.280 nan 0.000 0.623 886 G N 1.873 110.666 108.800 -0.012 0.000 2.153 886 G HA2 -0.316 3.639 3.960 -0.007 0.000 0.252 886 G HA3 -0.316 3.639 3.960 -0.007 0.000 0.252 886 G C 0.326 175.187 174.900 -0.065 0.000 0.994 886 G CA 0.034 45.131 45.100 -0.005 0.000 0.698 886 G HN 0.335 nan 8.290 nan 0.000 0.521 887 Q N 0.987 120.752 119.800 -0.058 0.000 2.553 887 Q HA 0.465 4.801 4.340 -0.007 0.000 0.221 887 Q C 1.050 177.018 176.000 -0.053 0.000 1.219 887 Q CA 0.123 55.895 55.803 -0.051 0.000 0.955 887 Q CB 0.115 28.846 28.738 -0.011 0.000 1.399 887 Q HN 0.557 nan 8.270 nan 0.000 0.551 888 K N 0.316 120.675 120.400 -0.068 0.000 2.143 888 K HA 0.627 4.942 4.320 -0.007 0.000 0.239 888 K C 0.003 176.613 176.600 0.016 0.000 1.048 888 K CA 0.362 56.623 56.287 -0.044 0.000 0.867 888 K CB 0.493 32.936 32.500 -0.094 0.000 1.088 888 K HN 0.697 nan 8.250 nan 0.000 0.510 889 G N -0.853 107.966 108.800 0.033 0.000 2.368 889 G HA2 0.218 4.174 3.960 -0.007 0.000 0.301 889 G HA3 0.218 4.174 3.960 -0.007 0.000 0.301 889 G C -1.868 173.075 174.900 0.071 0.000 1.640 889 G CA -0.944 44.184 45.100 0.048 0.000 0.941 889 G HN 0.339 nan 8.290 nan 0.000 0.695 890 V N 2.140 122.077 119.914 0.038 0.000 2.581 890 V HA 0.473 4.588 4.120 -0.007 0.000 0.303 890 V C 0.827 176.919 176.094 -0.004 0.000 1.041 890 V CA -0.792 61.532 62.300 0.040 0.000 0.907 890 V CB 1.802 33.639 31.823 0.024 0.000 0.994 890 V HN 0.701 nan 8.190 nan 0.000 0.442 891 I N 4.291 124.840 120.570 -0.034 0.000 2.691 891 I HA 0.024 4.189 4.170 -0.007 0.000 0.288 891 I C 1.672 177.753 176.117 -0.060 0.000 1.143 891 I CA 0.730 61.968 61.300 -0.103 0.000 1.364 891 I CB 0.450 38.359 38.000 -0.152 0.000 1.435 891 I HN 0.867 nan 8.210 nan 0.000 0.551 892 G N 6.406 115.181 108.800 -0.042 0.000 2.414 892 G HA2 -0.087 3.869 3.960 -0.007 0.000 0.215 892 G HA3 -0.087 3.869 3.960 -0.007 0.000 0.215 892 G C 0.397 175.231 174.900 -0.110 0.000 1.188 892 G CA 0.556 45.659 45.100 0.005 0.000 0.783 892 G HN 0.466 nan 8.290 nan 0.000 0.537 893 M N -1.583 117.886 119.600 -0.218 0.000 2.618 893 M HA 0.736 5.211 4.480 -0.007 0.000 0.281 893 M C -2.276 173.878 176.300 -0.244 0.000 1.267 893 M CA -0.987 54.075 55.300 -0.396 0.000 0.845 893 M CB 2.297 34.315 32.600 -0.970 0.000 1.732 893 M HN -0.057 nan 8.290 nan 0.000 0.461 894 L N 3.424 124.518 121.223 -0.215 0.000 2.345 894 L HA 0.629 4.965 4.340 -0.007 0.000 0.274 894 L C -1.526 175.284 176.870 -0.101 0.000 0.999 894 L CA 0.037 54.800 54.840 -0.128 0.000 0.849 894 L CB 1.092 43.095 42.059 -0.093 0.000 1.220 894 L HN 0.659 nan 8.230 nan 0.000 0.422 895 I N 6.942 127.479 120.570 -0.055 0.000 2.339 895 I HA 0.348 4.514 4.170 -0.007 0.000 0.290 895 I C -1.929 174.199 176.117 0.018 0.000 0.994 895 I CA -1.948 59.352 61.300 0.001 0.000 1.191 895 I CB 1.713 39.760 38.000 0.078 0.000 1.343 895 I HN 0.399 nan 8.210 nan 0.000 0.458 896 P HA -0.090 nan 4.420 nan 0.000 0.270 896 P C 0.372 177.695 177.300 0.038 0.000 1.221 896 P CA 0.050 63.163 63.100 0.022 0.000 0.788 896 P CB 0.533 32.245 31.700 0.021 0.000 0.904 897 Q N 0.796 120.612 119.800 0.027 0.000 2.170 897 Q HA -0.127 4.209 4.340 -0.007 0.000 0.203 897 Q C 1.445 177.472 176.000 0.045 0.000 0.976 897 Q CA 1.546 57.368 55.803 0.032 0.000 0.858 897 Q CB -0.212 28.533 28.738 0.012 0.000 0.907 897 Q HN 0.222 nan 8.270 nan 0.000 0.433 898 V N 0.607 120.544 119.914 0.038 0.000 2.358 898 V HA -0.199 3.916 4.120 -0.007 0.000 0.246 898 V C 0.979 177.129 176.094 0.094 0.000 1.047 898 V CA 1.984 64.309 62.300 0.042 0.000 1.035 898 V CB -0.489 31.350 31.823 0.026 0.000 0.658 898 V HN 0.278 nan 8.190 nan 0.000 0.452 899 D N -0.757 119.708 120.400 0.108 0.000 2.349 899 D HA 0.084 4.719 4.640 -0.007 0.000 0.224 899 D C 0.724 177.158 176.300 0.223 0.000 1.029 899 D CA 0.306 54.405 54.000 0.165 0.000 0.879 899 D CB -0.077 40.810 40.800 0.145 0.000 0.906 899 D HN 0.233 nan 8.370 nan 0.000 0.528 900 M N 1.382 121.072 119.600 0.149 0.000 2.288 900 M HA 0.255 4.731 4.480 -0.007 0.000 0.334 900 M C -2.341 173.974 176.300 0.025 0.000 1.150 900 M CA -2.575 52.765 55.300 0.067 0.000 1.118 900 M CB 0.804 33.445 32.600 0.068 0.000 1.501 900 M HN -0.226 nan 8.290 nan 0.000 0.462 901 P HA 0.162 nan 4.420 nan 0.000 0.274 901 P C -1.429 175.864 177.300 -0.012 0.000 1.291 901 P CA -0.035 62.946 63.100 -0.198 0.000 0.815 901 P CB -0.710 30.729 31.700 -0.434 0.000 0.897 902 Y N 1.049 121.350 120.300 0.001 0.000 2.335 902 Y HA 0.655 5.200 4.550 -0.007 0.000 0.323 902 Y C 0.246 176.100 175.900 -0.076 0.000 1.224 902 Y CA -0.939 57.131 58.100 -0.050 0.000 1.241 902 Y CB 0.232 38.658 38.460 -0.056 0.000 1.235 902 Y HN 0.141 nan 8.280 nan 0.000 0.492 903 T N 1.501 115.992 114.554 -0.105 0.000 2.912 903 T HA 0.236 4.582 4.350 -0.007 0.000 0.280 903 T C 1.435 176.141 174.700 0.011 0.000 0.989 903 T CA -0.543 61.461 62.100 -0.159 0.000 0.995 903 T CB 1.599 70.246 68.868 -0.369 0.000 1.077 903 T HN 0.646 nan 8.240 nan 0.000 0.531 904 V N 0.557 120.461 119.914 -0.018 0.000 2.231 904 V HA -0.132 3.983 4.120 -0.007 0.000 0.248 904 V C 1.545 177.621 176.094 -0.031 0.000 1.054 904 V CA 1.424 63.700 62.300 -0.040 0.000 1.015 904 V CB -0.928 30.871 31.823 -0.040 0.000 0.638 904 V HN 0.837 nan 8.190 nan 0.000 0.444 905 K N 1.685 122.070 120.400 -0.025 0.000 2.244 905 K HA 0.424 4.740 4.320 -0.007 0.000 0.263 905 K C 0.598 177.197 176.600 -0.001 0.000 1.103 905 K CA 0.559 56.837 56.287 -0.015 0.000 0.966 905 K CB 0.151 32.645 32.500 -0.010 0.000 1.429 905 K HN 0.502 nan 8.250 nan 0.000 0.434 906 G N 2.212 111.003 108.800 -0.016 0.000 2.632 906 G HA2 -0.376 3.580 3.960 -0.007 0.000 0.322 906 G HA3 -0.376 3.580 3.960 -0.007 0.000 0.322 906 G C -0.277 174.595 174.900 -0.045 0.000 1.326 906 G CA 0.716 45.803 45.100 -0.023 0.000 0.986 906 G HN 1.330 nan 8.290 nan 0.000 0.541 907 V N -2.561 117.318 119.914 -0.058 0.000 4.438 907 V HA -0.004 4.111 4.120 -0.007 0.000 0.425 907 V C 0.873 176.910 176.094 -0.097 0.000 0.682 907 V CA 1.267 63.505 62.300 -0.103 0.000 1.725 907 V CB -2.427 29.263 31.823 -0.222 0.000 2.088 907 V HN 2.224 nan 8.190 nan 0.000 0.484 908 V N 3.371 123.310 119.914 0.042 0.000 2.997 908 V HA 0.911 5.026 4.120 -0.007 0.000 0.311 908 V C -1.280 174.970 176.094 0.260 0.000 1.066 908 V CA -1.881 60.504 62.300 0.143 0.000 1.039 908 V CB 1.695 33.578 31.823 0.099 0.000 1.081 908 V HN 0.643 nan 8.190 nan 0.000 0.467 909 P HA 0.375 nan 4.420 nan 0.000 0.279 909 P C -0.508 176.825 177.300 0.055 0.000 1.252 909 P CA -0.165 63.037 63.100 0.171 0.000 0.811 909 P CB 1.359 33.041 31.700 -0.031 0.000 1.035 910 D N -0.162 120.245 120.400 0.011 0.000 2.259 910 D HA 0.059 4.694 4.640 -0.007 0.000 0.216 910 D C 0.310 176.564 176.300 -0.076 0.000 0.961 910 D CA 1.213 55.201 54.000 -0.020 0.000 0.878 910 D CB 0.288 41.082 40.800 -0.010 0.000 1.009 910 D HN 0.113 nan 8.370 nan 0.000 0.490 911 V N 1.435 121.263 119.914 -0.142 0.000 2.656 911 V HA 0.415 4.530 4.120 -0.007 0.000 0.307 911 V C -0.369 175.596 176.094 -0.214 0.000 1.051 911 V CA -0.813 61.345 62.300 -0.236 0.000 0.893 911 V CB 2.418 33.962 31.823 -0.464 0.000 0.999 911 V HN -0.135 nan 8.190 nan 0.000 0.426 912 I N 4.552 125.023 120.570 -0.166 0.000 2.355 912 I HA 0.407 4.573 4.170 -0.007 0.000 0.288 912 I C -0.129 175.927 176.117 -0.101 0.000 0.999 912 I CA -0.045 61.178 61.300 -0.130 0.000 1.163 912 I CB 1.423 39.395 38.000 -0.047 0.000 1.316 912 I HN 0.427 nan 8.210 nan 0.000 0.454 913 L N 5.242 126.401 121.223 -0.108 0.000 2.454 913 L HA 0.437 4.772 4.340 -0.007 0.000 0.256 913 L C 0.059 176.907 176.870 -0.038 0.000 1.136 913 L CA -0.539 54.265 54.840 -0.060 0.000 0.804 913 L CB 1.302 43.325 42.059 -0.060 0.000 1.181 913 L HN 0.633 nan 8.230 nan 0.000 0.469 914 N N 2.176 120.870 118.700 -0.010 0.000 2.419 914 N HA 0.239 4.974 4.740 -0.007 0.000 0.277 914 N C -1.966 173.525 175.510 -0.032 0.000 1.006 914 N CA -1.668 51.392 53.050 0.017 0.000 0.923 914 N CB 1.908 40.440 38.487 0.076 0.000 1.140 914 N HN 0.299 nan 8.380 nan 0.000 0.488 915 P HA -0.108 nan 4.420 nan 0.000 0.231 915 P C 0.079 177.204 177.300 -0.292 0.000 1.154 915 P CA 1.275 64.243 63.100 -0.219 0.000 0.762 915 P CB 0.175 31.711 31.700 -0.274 0.000 0.790 916 H N -0.939 118.105 119.070 -0.045 0.000 2.639 916 H HA 0.338 4.890 4.556 -0.007 0.000 0.267 916 H C 1.839 177.143 175.328 -0.040 0.000 0.958 916 H CA 0.556 56.581 56.048 -0.038 0.000 1.221 916 H CB -0.010 29.734 29.762 -0.030 0.000 1.446 916 H HN 0.044 nan 8.280 nan 0.000 0.512 917 A N 0.333 123.187 122.820 0.057 0.000 2.250 917 A HA 0.100 4.415 4.320 -0.007 0.000 0.208 917 A C 1.298 178.872 177.584 -0.017 0.000 1.254 917 A CA 0.640 52.687 52.037 0.016 0.000 0.858 917 A CB -0.493 18.512 19.000 0.007 0.000 0.820 917 A HN 0.352 nan 8.150 nan 0.000 0.484 918 L N -0.979 120.225 121.223 -0.031 0.000 2.675 918 L HA 0.150 4.485 4.340 -0.007 0.000 0.178 918 L C -0.722 176.123 176.870 -0.043 0.000 1.135 918 L CA 0.132 54.937 54.840 -0.058 0.000 0.855 918 L CB -0.095 41.900 42.059 -0.107 0.000 1.235 918 L HN 0.068 nan 8.230 nan 0.000 0.499 919 P HA -0.079 nan 4.420 nan 0.000 0.225 919 P C 1.481 178.777 177.300 -0.007 0.000 1.156 919 P CA 1.446 64.531 63.100 -0.025 0.000 0.787 919 P CB 0.067 31.752 31.700 -0.024 0.000 0.802 920 S N 0.519 116.220 115.700 0.000 0.000 2.406 920 S HA -0.070 4.396 4.470 -0.007 0.000 0.228 920 S C 1.965 176.569 174.600 0.007 0.000 1.020 920 S CA 0.386 58.590 58.200 0.007 0.000 0.965 920 S CB -0.676 62.531 63.200 0.011 0.000 0.798 920 S HN 0.101 nan 8.310 nan 0.000 0.488 921 R N 0.584 121.085 120.500 0.001 0.000 2.189 921 R HA 0.372 4.708 4.340 -0.007 0.000 0.203 921 R C 0.326 176.633 176.300 0.011 0.000 1.012 921 R CA 0.436 56.539 56.100 0.006 0.000 1.015 921 R CB -0.775 29.522 30.300 -0.006 0.000 0.938 921 R HN 0.479 nan 8.270 nan 0.000 0.472 922 M N 1.834 121.434 119.600 -0.000 0.000 2.505 922 M HA -0.116 4.359 4.480 -0.007 0.000 0.194 922 M C -0.778 175.524 176.300 0.004 0.000 0.771 922 M CA 0.890 56.191 55.300 0.001 0.000 0.553 922 M CB -1.532 31.077 32.600 0.015 0.000 1.354 922 M HN 0.165 nan 8.290 nan 0.000 0.874 923 T N -2.213 112.330 114.554 -0.018 0.000 3.379 923 T HA 0.431 4.777 4.350 -0.007 0.000 0.274 923 T C 1.363 176.014 174.700 -0.081 0.000 1.555 923 T CA -0.937 61.148 62.100 -0.025 0.000 1.297 923 T CB 0.460 69.314 68.868 -0.024 0.000 1.132 923 T HN 0.449 nan 8.240 nan 0.000 0.722 924 L N 1.373 122.570 121.223 -0.043 0.000 1.997 924 L HA -0.138 4.197 4.340 -0.007 0.000 0.216 924 L C 2.877 179.660 176.870 -0.145 0.000 1.074 924 L CA 2.466 57.260 54.840 -0.076 0.000 0.763 924 L CB -1.559 40.494 42.059 -0.011 0.000 0.890 924 L HN 0.677 nan 8.230 nan 0.000 0.434 925 G N -0.543 108.209 108.800 -0.080 0.000 2.606 925 G HA2 -0.438 3.518 3.960 -0.007 0.000 0.221 925 G HA3 -0.438 3.518 3.960 -0.007 0.000 0.221 925 G C 1.457 176.084 174.900 -0.454 0.000 1.152 925 G CA 1.413 46.464 45.100 -0.082 0.000 0.765 925 G HN 0.435 nan 8.290 nan 0.000 0.595 926 Q N 0.060 119.338 119.800 -0.871 0.000 2.062 926 Q HA -0.168 4.168 4.340 -0.007 0.000 0.209 926 Q C 2.521 178.358 176.000 -0.272 0.000 0.996 926 Q CA 1.878 57.237 55.803 -0.741 0.000 0.859 926 Q CB -0.271 28.212 28.738 -0.424 0.000 0.920 926 Q HN 0.467 nan 8.270 nan 0.000 0.415 927 I N 0.050 120.483 120.570 -0.229 0.000 2.142 927 I HA -0.270 3.895 4.170 -0.007 0.000 0.240 927 I C 2.358 178.474 176.117 -0.001 0.000 1.078 927 I CA 1.571 62.797 61.300 -0.123 0.000 1.343 927 I CB -1.356 36.539 38.000 -0.175 0.000 1.046 927 I HN 0.431 nan 8.210 nan 0.000 0.405 928 M N -0.005 119.517 119.600 -0.130 0.000 2.144 928 M HA -0.244 4.232 4.480 -0.007 0.000 0.260 928 M C 2.167 178.469 176.300 0.004 0.000 1.067 928 M CA 1.708 56.863 55.300 -0.242 0.000 1.095 928 M CB -0.721 31.492 32.600 -0.644 0.000 1.365 928 M HN 0.271 nan 8.290 nan 0.000 0.406 929 E N 0.500 120.805 120.200 0.174 0.000 2.110 929 E HA -0.152 4.194 4.350 -0.007 0.000 0.193 929 E C 2.156 178.882 176.600 0.211 0.000 0.988 929 E CA 1.343 57.917 56.400 0.290 0.000 0.804 929 E CB -0.107 29.765 29.700 0.286 0.000 0.745 929 E HN 0.592 nan 8.360 nan 0.000 0.458 930 G N 1.174 110.094 108.800 0.200 0.000 2.402 930 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.216 930 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.216 930 G C 1.596 176.561 174.900 0.108 0.000 1.162 930 G CA 0.588 45.821 45.100 0.222 0.000 0.777 930 G HN 0.198 nan 8.290 nan 0.000 0.539 931 I N 1.265 121.890 120.570 0.091 0.000 2.286 931 I HA -0.170 3.996 4.170 -0.007 0.000 0.248 931 I C 3.101 179.240 176.117 0.037 0.000 1.115 931 I CA 1.168 62.472 61.300 0.006 0.000 1.392 931 I CB -0.109 37.880 38.000 -0.019 0.000 1.065 931 I HN 0.258 nan 8.210 nan 0.000 0.418 932 A N 0.486 123.354 122.820 0.081 0.000 2.081 932 A HA 0.157 4.473 4.320 -0.007 0.000 0.214 932 A C 2.349 180.023 177.584 0.149 0.000 1.158 932 A CA 0.963 53.073 52.037 0.122 0.000 0.724 932 A CB -0.840 18.261 19.000 0.168 0.000 0.826 932 A HN 0.418 nan 8.150 nan 0.000 0.463 933 G N 0.507 109.381 108.800 0.124 0.000 2.408 933 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.217 933 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.217 933 G C 1.574 176.499 174.900 0.041 0.000 1.150 933 G CA 1.343 46.502 45.100 0.097 0.000 0.776 933 G HN 0.546 nan 8.290 nan 0.000 0.542 934 K N 0.095 120.504 120.400 0.014 0.000 1.978 934 K HA -0.215 4.101 4.320 -0.007 0.000 0.214 934 K C 2.130 178.680 176.600 -0.083 0.000 1.049 934 K CA 1.677 57.924 56.287 -0.067 0.000 0.939 934 K CB -0.912 31.535 32.500 -0.089 0.000 0.721 934 K HN 0.289 nan 8.250 nan 0.000 0.441 935 Y N 0.588 120.804 120.300 -0.141 0.000 2.062 935 Y HA -0.350 4.197 4.550 -0.004 0.000 0.276 935 Y C 1.997 177.759 175.900 -0.229 0.000 1.189 935 Y CA 2.555 60.537 58.100 -0.197 0.000 1.130 935 Y CB -0.847 37.540 38.460 -0.122 0.000 0.959 935 Y HN 0.233 nan 8.280 nan 0.000 0.499 936 A N 0.552 123.388 122.820 0.027 0.000 1.873 936 A HA -0.207 4.109 4.320 -0.007 0.000 0.218 936 A C 2.380 179.852 177.584 -0.185 0.000 1.193 936 A CA 2.428 54.436 52.037 -0.048 0.000 0.629 936 A CB -1.645 17.380 19.000 0.042 0.000 0.826 936 A HN 0.715 nan 8.150 nan 0.000 0.447 937 A N -1.155 121.572 122.820 -0.154 0.000 2.119 937 A HA 0.231 4.547 4.320 -0.007 0.000 0.217 937 A C 2.072 179.525 177.584 -0.218 0.000 1.153 937 A CA 1.045 52.992 52.037 -0.150 0.000 0.692 937 A CB -0.371 18.566 19.000 -0.104 0.000 0.799 937 A HN 0.471 nan 8.150 nan 0.000 0.458 938 L N -0.307 120.705 121.223 -0.352 0.000 2.127 938 L HA -0.082 4.253 4.340 -0.007 0.000 0.203 938 L C 2.967 179.494 176.870 -0.571 0.000 1.080 938 L CA 1.513 56.103 54.840 -0.416 0.000 0.768 938 L CB -0.290 41.457 42.059 -0.520 0.000 0.924 938 L HN 0.578 nan 8.230 nan 0.000 0.444 939 S N -1.031 114.121 115.700 -0.913 0.000 2.404 939 S HA 0.099 4.565 4.470 -0.007 0.000 0.223 939 S C 1.584 176.016 174.600 -0.279 0.000 1.040 939 S CA 0.621 58.337 58.200 -0.805 0.000 0.957 939 S CB 0.378 62.826 63.200 -1.253 0.000 0.826 939 S HN 0.467 nan 8.310 nan 0.000 0.491 940 G N 1.490 110.139 108.800 -0.253 0.000 2.141 940 G HA2 -0.199 3.756 3.960 -0.007 0.000 0.231 940 G HA3 -0.199 3.756 3.960 -0.007 0.000 0.231 940 G C -0.475 174.384 174.900 -0.067 0.000 0.984 940 G CA -0.098 44.935 45.100 -0.112 0.000 0.660 940 G HN 0.725 nan 8.290 nan 0.000 0.525 941 N N 0.100 118.753 118.700 -0.079 0.000 2.400 941 N HA 0.601 5.337 4.740 -0.007 0.000 0.288 941 N C 1.561 177.110 175.510 0.065 0.000 1.024 941 N CA -0.582 52.487 53.050 0.032 0.000 0.894 941 N CB 1.508 40.077 38.487 0.136 0.000 1.173 941 N HN 0.225 nan 8.380 nan 0.000 0.487 942 I N -0.719 119.873 120.570 0.036 0.000 2.676 942 I HA 0.038 4.204 4.170 -0.007 0.000 0.259 942 I C -0.301 175.826 176.117 0.017 0.000 1.194 942 I CA -0.152 61.154 61.300 0.010 0.000 1.473 942 I CB -0.194 37.791 38.000 -0.025 0.000 1.096 942 I HN 0.223 nan 8.210 nan 0.000 0.443 943 V N 3.421 123.354 119.914 0.033 0.000 3.478 943 V HA -0.194 3.922 4.120 -0.007 0.000 0.490 943 V C -0.389 175.651 176.094 -0.089 0.000 0.682 943 V CA 0.878 63.171 62.300 -0.012 0.000 2.029 943 V CB -1.391 30.440 31.823 0.013 0.000 2.466 943 V HN 0.839 nan 8.190 nan 0.000 0.504 944 D N 4.991 125.327 120.400 -0.107 0.000 2.280 944 D HA 0.584 5.219 4.640 -0.007 0.000 0.243 944 D C 0.634 176.805 176.300 -0.215 0.000 1.129 944 D CA -0.068 53.838 54.000 -0.158 0.000 0.848 944 D CB 2.114 42.831 40.800 -0.138 0.000 1.107 944 D HN 0.788 nan 8.370 nan 0.000 0.471 945 A N 3.239 125.849 122.820 -0.350 0.000 2.345 945 A HA 0.137 4.452 4.320 -0.007 0.000 0.225 945 A C 0.821 178.178 177.584 -0.380 0.000 1.243 945 A CA -0.403 51.276 52.037 -0.597 0.000 0.875 945 A CB -0.464 17.815 19.000 -1.202 0.000 0.929 945 A HN 0.620 nan 8.150 nan 0.000 0.502 946 T N 4.157 118.564 114.554 -0.246 0.000 2.510 946 T HA 0.025 4.370 4.350 -0.007 0.000 0.218 946 T C -2.366 172.186 174.700 -0.247 0.000 1.031 946 T CA 0.064 62.047 62.100 -0.195 0.000 1.169 946 T CB -0.289 68.537 68.868 -0.069 0.000 1.007 946 T HN 0.349 nan 8.240 nan 0.000 0.462 947 P HA 0.099 nan 4.420 nan 0.000 0.264 947 P C -0.117 176.764 177.300 -0.697 0.000 1.179 947 P CA -0.044 62.635 63.100 -0.702 0.000 0.763 947 P CB -0.143 30.890 31.700 -1.112 0.000 0.806 948 F N 0.172 120.124 119.950 0.005 0.000 2.132 948 F HA -0.222 4.300 4.527 -0.007 0.000 0.500 948 F C 1.328 177.205 175.800 0.128 0.000 1.266 948 F CA 0.430 58.449 58.000 0.033 0.000 1.605 948 F CB -2.648 36.336 39.000 -0.027 0.000 2.568 948 F HN 0.691 nan 8.300 nan 0.000 0.724 949 Y N 1.734 122.150 120.300 0.194 0.000 2.745 949 Y HA -0.546 4.000 4.550 -0.007 0.000 0.477 949 Y C 1.563 177.531 175.900 0.113 0.000 1.099 949 Y CA 3.712 61.890 58.100 0.130 0.000 2.900 949 Y CB -1.068 37.460 38.460 0.114 0.000 1.080 949 Y HN 1.208 nan 8.280 nan 0.000 0.599 950 K N 1.243 121.536 120.400 -0.179 0.000 2.884 950 K HA -0.201 4.115 4.320 -0.007 0.000 0.247 950 K C -0.176 176.200 176.600 -0.373 0.000 0.951 950 K CA 1.652 57.808 56.287 -0.219 0.000 0.706 950 K CB -2.971 29.498 32.500 -0.050 0.000 1.240 950 K HN 1.106 nan 8.250 nan 0.000 0.484 951 T N -1.680 112.352 114.554 -0.870 0.000 0.559 951 T HA -0.090 4.256 4.350 -0.007 0.000 0.772 951 T C -2.257 172.267 174.700 -0.294 0.000 0.992 951 T CA 0.067 61.826 62.100 -0.568 0.000 4.066 951 T CB -0.395 68.291 68.868 -0.303 0.000 2.296 951 T HN 0.303 nan 8.240 nan 0.000 0.396 952 P HA 0.110 nan 4.420 nan 0.000 0.264 952 P C 1.661 178.883 177.300 -0.129 0.000 1.193 952 P CA -0.548 62.486 63.100 -0.110 0.000 0.763 952 P CB 0.254 31.926 31.700 -0.046 0.000 0.810 953 I N 3.086 123.560 120.570 -0.159 0.000 2.423 953 I HA -0.206 3.960 4.170 -0.007 0.000 0.254 953 I C 1.210 177.236 176.117 -0.153 0.000 1.151 953 I CA 1.768 62.938 61.300 -0.217 0.000 1.421 953 I CB -1.677 36.112 38.000 -0.351 0.000 1.079 953 I HN 0.423 nan 8.210 nan 0.000 0.431 954 E N 0.932 121.070 120.200 -0.103 0.000 2.502 954 E HA -0.121 4.224 4.350 -0.007 0.000 0.194 954 E C 2.026 178.598 176.600 -0.046 0.000 1.062 954 E CA 0.095 56.457 56.400 -0.063 0.000 0.867 954 E CB -0.176 29.500 29.700 -0.039 0.000 0.888 954 E HN 0.625 nan 8.360 nan 0.000 0.510 955 Q N 0.770 120.531 119.800 -0.065 0.000 2.250 955 Q HA 0.038 4.374 4.340 -0.007 0.000 0.200 955 Q C 2.025 177.981 176.000 -0.073 0.000 0.941 955 Q CA 0.351 56.124 55.803 -0.050 0.000 0.872 955 Q CB 0.215 28.922 28.738 -0.052 0.000 0.965 955 Q HN 0.387 nan 8.270 nan 0.000 0.480 956 L N 0.469 121.599 121.223 -0.155 0.000 2.217 956 L HA -0.132 4.204 4.340 -0.007 0.000 0.211 956 L C 2.370 179.209 176.870 -0.052 0.000 1.107 956 L CA 0.891 55.586 54.840 -0.241 0.000 0.783 956 L CB -0.145 41.667 42.059 -0.413 0.000 0.919 956 L HN 0.194 nan 8.230 nan 0.000 0.442 957 Q N -0.251 119.525 119.800 -0.040 0.000 2.172 957 Q HA -0.142 4.194 4.340 -0.007 0.000 0.200 957 Q C 1.761 177.787 176.000 0.044 0.000 0.964 957 Q CA 1.131 56.936 55.803 0.003 0.000 0.855 957 Q CB 0.010 28.735 28.738 -0.022 0.000 0.918 957 Q HN 0.499 nan 8.270 nan 0.000 0.444 958 N N 0.320 119.046 118.700 0.044 0.000 2.300 958 N HA -0.104 4.632 4.740 -0.007 0.000 0.179 958 N C 1.347 176.927 175.510 0.116 0.000 1.016 958 N CA 0.749 53.838 53.050 0.065 0.000 0.876 958 N CB 0.045 38.560 38.487 0.047 0.000 0.979 958 N HN 0.152 nan 8.380 nan 0.000 0.432 959 E N 0.744 121.039 120.200 0.159 0.000 2.208 959 E HA -0.034 4.312 4.350 -0.007 0.000 0.193 959 E C 1.934 178.774 176.600 0.401 0.000 0.988 959 E CA 0.310 56.890 56.400 0.300 0.000 0.828 959 E CB -0.030 29.908 29.700 0.397 0.000 0.763 959 E HN 0.594 nan 8.360 nan 0.000 0.478 960 I N -1.482 119.267 120.570 0.299 0.000 2.761 960 I HA -0.078 4.087 4.170 -0.007 0.000 0.261 960 I C 2.386 178.647 176.117 0.239 0.000 1.198 960 I CA 0.556 62.011 61.300 0.258 0.000 1.482 960 I CB -0.305 37.793 38.000 0.164 0.000 1.100 960 I HN -0.035 nan 8.210 nan 0.000 0.445 961 L N 1.518 122.849 121.223 0.181 0.000 2.093 961 L HA -0.129 4.207 4.340 -0.007 0.000 0.208 961 L C 2.466 179.407 176.870 0.119 0.000 1.085 961 L CA 1.618 56.535 54.840 0.128 0.000 0.755 961 L CB -0.312 41.797 42.059 0.083 0.000 0.904 961 L HN 0.123 nan 8.230 nan 0.000 0.435 962 K N -1.164 119.318 120.400 0.137 0.000 2.167 962 K HA -0.095 4.221 4.320 -0.007 0.000 0.203 962 K C 1.634 178.243 176.600 0.015 0.000 1.052 962 K CA 1.156 57.471 56.287 0.048 0.000 0.956 962 K CB -0.199 32.304 32.500 0.005 0.000 0.735 962 K HN 0.287 nan 8.250 nan 0.000 0.451 963 Y N 0.328 120.662 120.300 0.057 0.000 2.632 963 Y HA -0.027 4.518 4.550 -0.009 0.000 0.301 963 Y C 1.444 177.407 175.900 0.105 0.000 1.172 963 Y CA 0.917 59.055 58.100 0.063 0.000 1.328 963 Y CB 0.444 38.932 38.460 0.046 0.000 1.016 963 Y HN 0.321 nan 8.280 nan 0.000 0.529 964 G N -2.166 106.731 108.800 0.162 0.000 2.184 964 G HA2 -0.246 3.709 3.960 -0.007 0.000 0.206 964 G HA3 -0.246 3.709 3.960 -0.007 0.000 0.206 964 G C -0.272 174.485 174.900 -0.239 0.000 0.995 964 G CA -0.446 44.633 45.100 -0.035 0.000 0.651 964 G HN 0.279 nan 8.290 nan 0.000 0.511 965 Y N -0.738 119.592 120.300 0.049 0.000 2.686 965 Y HA 0.763 5.307 4.550 -0.010 0.000 0.330 965 Y C 0.785 176.698 175.900 0.022 0.000 1.082 965 Y CA -1.172 56.941 58.100 0.021 0.000 1.158 965 Y CB 0.974 39.438 38.460 0.008 0.000 1.333 965 Y HN 0.069 nan 8.280 nan 0.000 0.519 966 L N 3.895 125.228 121.223 0.182 0.000 2.349 966 L HA 0.224 4.560 4.340 -0.007 0.000 0.275 966 L C -1.423 175.493 176.870 0.077 0.000 1.115 966 L CA -1.364 53.530 54.840 0.091 0.000 0.820 966 L CB 0.789 42.886 42.059 0.064 0.000 1.135 966 L HN 0.477 nan 8.230 nan 0.000 0.445 967 P HA -0.173 nan 4.420 nan 0.000 0.220 967 P C 0.796 178.108 177.300 0.021 0.000 1.148 967 P CA 0.890 64.017 63.100 0.046 0.000 0.803 967 P CB 0.337 32.060 31.700 0.040 0.000 0.782 968 D N 0.190 120.600 120.400 0.017 0.000 2.190 968 D HA -0.128 4.508 4.640 -0.007 0.000 0.200 968 D C 1.261 177.545 176.300 -0.026 0.000 0.992 968 D CA 1.706 55.710 54.000 0.007 0.000 0.854 968 D CB -0.492 40.318 40.800 0.016 0.000 0.936 968 D HN 0.147 nan 8.370 nan 0.000 0.462 969 A N -1.268 121.519 122.820 -0.055 0.000 3.021 969 A HA -0.164 4.152 4.320 -0.007 0.000 0.257 969 A C 0.699 178.119 177.584 -0.273 0.000 1.277 969 A CA 1.487 53.419 52.037 -0.176 0.000 1.012 969 A CB -2.648 16.199 19.000 -0.254 0.000 1.147 969 A HN 0.465 nan 8.150 nan 0.000 0.861 970 T N -1.634 112.863 114.554 -0.095 0.000 2.815 970 T HA 0.696 5.041 4.350 -0.007 0.000 0.289 970 T C -0.456 174.274 174.700 0.050 0.000 1.000 970 T CA -0.053 62.035 62.100 -0.019 0.000 0.958 970 T CB 1.654 70.549 68.868 0.044 0.000 0.944 970 T HN 0.428 nan 8.240 nan 0.000 0.442 971 E N 1.263 121.525 120.200 0.104 0.000 2.504 971 E HA 0.558 4.903 4.350 -0.007 0.000 0.253 971 E C -0.475 176.170 176.600 0.075 0.000 1.151 971 E CA -1.170 55.282 56.400 0.088 0.000 0.972 971 E CB 1.528 31.271 29.700 0.071 0.000 1.247 971 E HN 0.563 nan 8.360 nan 0.000 0.519 972 V N 1.322 121.264 119.914 0.046 0.000 2.383 972 V HA 0.429 4.544 4.120 -0.007 0.000 0.275 972 V C -0.797 175.331 176.094 0.058 0.000 1.036 972 V CA 0.044 62.369 62.300 0.042 0.000 0.889 972 V CB 0.605 32.461 31.823 0.055 0.000 0.985 972 V HN 0.770 nan 8.190 nan 0.000 0.459 973 T N 4.122 118.681 114.554 0.008 0.000 2.924 973 T HA 0.722 5.068 4.350 -0.007 0.000 0.291 973 T C -1.210 173.402 174.700 -0.148 0.000 1.045 973 T CA -0.570 61.518 62.100 -0.019 0.000 1.015 973 T CB 1.712 70.594 68.868 0.022 0.000 1.103 973 T HN 0.543 nan 8.240 nan 0.000 0.496 974 Y N -0.202 119.779 120.300 -0.533 0.000 2.425 974 Y HA 0.412 4.959 4.550 -0.005 0.000 0.344 974 Y C -0.120 175.494 175.900 -0.477 0.000 0.969 974 Y CA -1.356 56.408 58.100 -0.560 0.000 1.052 974 Y CB 1.651 39.603 38.460 -0.846 0.000 1.215 974 Y HN 0.681 nan 8.280 nan 0.000 0.451 975 D N 2.174 122.544 120.400 -0.051 0.000 2.357 975 D HA 0.086 4.722 4.640 -0.007 0.000 0.265 975 D C 1.335 177.757 176.300 0.203 0.000 1.334 975 D CA 0.571 54.618 54.000 0.079 0.000 0.984 975 D CB 0.910 41.802 40.800 0.152 0.000 1.077 975 D HN 0.914 nan 8.370 nan 0.000 0.514 976 G N 4.587 113.546 108.800 0.266 0.000 2.485 976 G HA2 -0.305 3.651 3.960 -0.007 0.000 0.221 976 G HA3 -0.305 3.651 3.960 -0.007 0.000 0.221 976 G C 1.566 176.621 174.900 0.258 0.000 1.115 976 G CA 0.689 46.041 45.100 0.419 0.000 0.751 976 G HN 0.532 nan 8.290 nan 0.000 0.567 977 R N -0.073 120.563 120.500 0.227 0.000 2.073 977 R HA 0.003 4.338 4.340 -0.007 0.000 0.229 977 R C 2.262 178.646 176.300 0.141 0.000 1.120 977 R CA 1.875 58.075 56.100 0.167 0.000 0.967 977 R CB -1.335 29.063 30.300 0.164 0.000 0.862 977 R HN 0.288 nan 8.270 nan 0.000 0.436 978 T N -1.403 113.244 114.554 0.155 0.000 2.818 978 T HA 0.210 4.556 4.350 -0.007 0.000 0.246 978 T C 1.371 176.158 174.700 0.146 0.000 1.036 978 T CA 2.226 64.402 62.100 0.126 0.000 1.160 978 T CB -0.279 68.653 68.868 0.106 0.000 0.869 978 T HN 0.587 nan 8.240 nan 0.000 0.419 979 G N 0.846 109.765 108.800 0.198 0.000 2.318 979 G HA2 -0.097 3.859 3.960 -0.007 0.000 0.172 979 G HA3 -0.097 3.859 3.960 -0.007 0.000 0.172 979 G C -0.024 175.048 174.900 0.286 0.000 1.002 979 G CA 0.135 45.389 45.100 0.257 0.000 0.697 979 G HN 0.886 nan 8.290 nan 0.000 0.483 980 Q N 0.904 120.812 119.800 0.180 0.000 2.259 980 Q HA 0.600 4.935 4.340 -0.007 0.000 0.246 980 Q C 0.096 176.059 176.000 -0.061 0.000 0.920 980 Q CA -0.601 55.261 55.803 0.099 0.000 0.895 980 Q CB 1.109 29.871 28.738 0.041 0.000 1.220 980 Q HN 0.476 nan 8.270 nan 0.000 0.439 981 K N 1.882 122.064 120.400 -0.363 0.000 2.322 981 K HA 0.280 4.596 4.320 -0.007 0.000 0.283 981 K C -0.052 176.293 176.600 -0.425 0.000 1.042 981 K CA -0.705 55.028 56.287 -0.923 0.000 0.958 981 K CB 0.314 31.898 32.500 -1.527 0.000 0.984 981 K HN 0.682 nan 8.250 nan 0.000 0.473 982 I N -0.060 120.310 120.570 -0.333 0.000 2.948 982 I HA -0.005 4.160 4.170 -0.007 0.000 0.290 982 I C 0.510 176.530 176.117 -0.161 0.000 1.226 982 I CA 0.287 61.489 61.300 -0.164 0.000 1.413 982 I CB 0.761 38.706 38.000 -0.091 0.000 1.352 982 I HN 0.831 nan 8.210 nan 0.000 0.597 983 K N 2.541 122.886 120.400 -0.091 0.000 2.417 983 K HA 0.180 4.496 4.320 -0.007 0.000 0.196 983 K C 0.996 177.564 176.600 -0.053 0.000 1.023 983 K CA 0.281 56.523 56.287 -0.075 0.000 1.122 983 K CB 0.234 32.706 32.500 -0.048 0.000 0.850 983 K HN 0.848 nan 8.250 nan 0.000 0.521 984 S N -0.431 115.241 115.700 -0.047 0.000 2.631 984 S HA 0.244 4.710 4.470 -0.007 0.000 0.246 984 S C -0.830 173.764 174.600 -0.010 0.000 1.068 984 S CA -0.362 57.825 58.200 -0.022 0.000 0.995 984 S CB 0.232 63.426 63.200 -0.009 0.000 0.944 984 S HN 0.345 nan 8.310 nan 0.000 0.529 985 R N 0.956 121.448 120.500 -0.013 0.000 1.272 985 R HA -0.082 4.253 4.340 -0.007 0.000 0.419 985 R C -1.700 174.632 176.300 0.053 0.000 1.318 985 R CA 0.186 56.297 56.100 0.018 0.000 1.012 985 R CB -0.728 29.584 30.300 0.020 0.000 3.123 985 R HN 0.213 nan 8.270 nan 0.000 0.502 986 I N 4.223 124.852 120.570 0.098 0.000 2.437 986 I HA 0.103 4.268 4.170 -0.007 0.000 0.298 986 I C 0.549 176.782 176.117 0.192 0.000 0.984 986 I CA -0.682 60.700 61.300 0.136 0.000 1.214 986 I CB 0.900 38.987 38.000 0.146 0.000 1.365 986 I HN 0.455 nan 8.210 nan 0.000 0.469 987 Y N 6.095 126.401 120.300 0.011 0.000 2.677 987 Y HA 0.060 4.607 4.550 -0.006 0.000 0.335 987 Y C -1.015 174.848 175.900 -0.062 0.000 1.162 987 Y CA 0.517 58.611 58.100 -0.010 0.000 1.483 987 Y CB -0.050 38.368 38.460 -0.069 0.000 1.209 987 Y HN 0.303 nan 8.280 nan 0.000 0.528 988 F N 4.871 124.666 119.950 -0.259 0.000 2.496 988 F HA 0.631 5.155 4.527 -0.005 0.000 0.341 988 F C 0.337 175.941 175.800 -0.326 0.000 1.134 988 F CA -0.370 57.529 58.000 -0.168 0.000 0.968 988 F CB 1.647 40.592 39.000 -0.091 0.000 1.205 988 F HN 0.638 nan 8.300 nan 0.000 0.436 989 G N 2.193 110.960 108.800 -0.054 0.000 2.692 989 G HA2 0.561 4.516 3.960 -0.007 0.000 0.291 989 G HA3 0.561 4.516 3.960 -0.007 0.000 0.291 989 G C -1.977 172.983 174.900 0.101 0.000 1.423 989 G CA -0.760 44.323 45.100 -0.028 0.000 0.843 989 G HN 0.327 nan 8.290 nan 0.000 0.486 990 V N 0.177 120.145 119.914 0.090 0.000 2.465 990 V HA 0.598 4.714 4.120 -0.007 0.000 0.279 990 V C -0.066 176.139 176.094 0.185 0.000 1.045 990 V CA -0.519 61.854 62.300 0.121 0.000 0.938 990 V CB 1.128 33.002 31.823 0.086 0.000 0.986 990 V HN 0.547 nan 8.190 nan 0.000 0.467 991 V N 4.351 124.408 119.914 0.238 0.000 2.638 991 V HA 0.304 4.420 4.120 -0.007 0.000 0.306 991 V C -0.921 175.437 176.094 0.440 0.000 1.052 991 V CA -0.886 61.615 62.300 0.335 0.000 0.885 991 V CB 1.889 33.944 31.823 0.386 0.000 0.999 991 V HN 0.741 nan 8.190 nan 0.000 0.424 992 Y N 4.932 125.387 120.300 0.259 0.000 2.496 992 Y HA 0.404 4.949 4.550 -0.008 0.000 0.334 992 Y C -0.823 175.252 175.900 0.291 0.000 1.080 992 Y CA -0.324 57.924 58.100 0.246 0.000 1.355 992 Y CB 0.139 38.685 38.460 0.142 0.000 1.193 992 Y HN 0.588 nan 8.280 nan 0.000 0.523 993 Y N 4.783 124.995 120.300 -0.147 0.000 2.429 993 Y HA 0.357 4.903 4.550 -0.007 0.000 0.342 993 Y C -0.607 175.137 175.900 -0.259 0.000 1.004 993 Y CA -0.831 57.210 58.100 -0.099 0.000 1.075 993 Y CB 1.644 40.176 38.460 0.120 0.000 1.214 993 Y HN 0.515 nan 8.280 nan 0.000 0.455 994 Q N 3.464 123.134 119.800 -0.217 0.000 2.333 994 Q HA 0.396 4.732 4.340 -0.007 0.000 0.267 994 Q C -1.327 174.440 176.000 -0.389 0.000 1.012 994 Q CA -1.249 54.393 55.803 -0.268 0.000 0.824 994 Q CB 2.604 31.211 28.738 -0.219 0.000 1.290 994 Q HN 0.437 nan 8.270 nan 0.000 0.449 995 K N 3.648 123.662 120.400 -0.644 0.000 2.248 995 K HA 0.264 4.580 4.320 -0.007 0.000 0.281 995 K C -1.204 175.028 176.600 -0.613 0.000 1.054 995 K CA -0.538 55.072 56.287 -1.127 0.000 0.903 995 K CB 0.622 32.258 32.500 -1.439 0.000 1.077 995 K HN 0.536 nan 8.250 nan 0.000 0.474 996 L N 3.959 124.864 121.223 -0.529 0.000 2.360 996 L HA 0.235 4.571 4.340 -0.007 0.000 0.271 996 L C 1.289 177.921 176.870 -0.397 0.000 1.057 996 L CA -0.085 54.533 54.840 -0.370 0.000 0.803 996 L CB 1.120 43.001 42.059 -0.296 0.000 1.207 996 L HN 0.797 nan 8.230 nan 0.000 0.445 997 H N -0.997 117.799 119.070 -0.458 0.000 2.518 997 H HA -0.020 4.531 4.556 -0.007 0.000 0.289 997 H C 0.072 175.248 175.328 -0.253 0.000 1.051 997 H CA 0.650 56.403 56.048 -0.492 0.000 1.280 997 H CB -0.488 28.844 29.762 -0.716 0.000 1.380 997 H HN 0.371 nan 8.280 nan 0.000 0.566 998 H N 1.447 120.214 119.070 -0.505 0.000 3.289 998 H HA 0.154 4.706 4.556 -0.007 0.000 0.248 998 H C -0.160 175.089 175.328 -0.131 0.000 1.175 998 H CA 0.330 56.211 56.048 -0.278 0.000 1.496 998 H CB -0.440 29.150 29.762 -0.287 0.000 1.571 998 H HN 0.458 nan 8.280 nan 0.000 0.495 999 M N 1.867 121.490 119.600 0.040 0.000 2.383 999 M HA 0.092 4.567 4.480 -0.007 0.000 0.325 999 M C 1.500 177.806 176.300 0.011 0.000 1.092 999 M CA -0.693 54.621 55.300 0.023 0.000 0.961 999 M CB 3.014 35.627 32.600 0.021 0.000 1.672 999 M HN 0.236 nan 8.290 nan 0.000 0.438 1000 V N 2.650 122.574 119.914 0.016 0.000 2.469 1000 V HA -0.248 3.867 4.120 -0.007 0.000 0.251 1000 V C 2.088 178.177 176.094 -0.009 0.000 1.064 1000 V CA 2.828 65.133 62.300 0.009 0.000 1.066 1000 V CB -0.210 31.623 31.823 0.017 0.000 0.667 1000 V HN 1.050 nan 8.190 nan 0.000 0.461 1001 A N -0.550 122.253 122.820 -0.027 0.000 1.940 1001 A HA -0.255 4.060 4.320 -0.007 0.000 0.219 1001 A C 1.949 179.478 177.584 -0.090 0.000 1.176 1001 A CA 2.101 54.103 52.037 -0.058 0.000 0.631 1001 A CB -0.589 18.363 19.000 -0.080 0.000 0.814 1001 A HN 0.665 nan 8.150 nan 0.000 0.446 1002 D N -0.899 119.435 120.400 -0.110 0.000 2.323 1002 D HA -0.024 4.612 4.640 -0.007 0.000 0.209 1002 D C 1.502 177.772 176.300 -0.050 0.000 0.973 1002 D CA 0.682 54.605 54.000 -0.129 0.000 0.874 1002 D CB 0.040 40.750 40.800 -0.151 0.000 0.930 1002 D HN 0.298 nan 8.370 nan 0.000 0.521 1003 K N 0.579 120.971 120.400 -0.015 0.000 2.276 1003 K HA 0.144 4.459 4.320 -0.007 0.000 0.198 1003 K C 1.299 177.931 176.600 0.055 0.000 1.052 1003 K CA -0.359 55.937 56.287 0.015 0.000 0.984 1003 K CB 0.443 32.952 32.500 0.015 0.000 0.836 1003 K HN 0.194 nan 8.250 nan 0.000 0.490 1004 I N 2.276 122.874 120.570 0.046 0.000 2.775 1004 I HA -0.140 4.026 4.170 -0.007 0.000 0.290 1004 I C -0.211 175.999 176.117 0.154 0.000 1.203 1004 I CA 0.671 62.014 61.300 0.073 0.000 1.433 1004 I CB 0.246 38.268 38.000 0.036 0.000 1.354 1004 I HN 0.267 nan 8.210 nan 0.000 0.579 1005 H N 6.544 125.623 119.070 0.016 0.000 3.394 1005 H HA 0.470 5.022 4.556 -0.007 0.000 0.354 1005 H C -2.083 173.263 175.328 0.031 0.000 1.495 1005 H CA -0.615 55.451 56.048 0.029 0.000 1.652 1005 H CB 0.533 30.309 29.762 0.024 0.000 2.204 1005 H HN 0.752 nan 8.280 nan 0.000 0.494 1006 A N 4.669 127.453 122.820 -0.060 0.000 2.355 1006 A HA 0.730 5.046 4.320 -0.007 0.000 0.317 1006 A C -0.619 176.920 177.584 -0.076 0.000 1.094 1006 A CA -0.906 51.055 52.037 -0.127 0.000 0.764 1006 A CB 1.187 20.161 19.000 -0.043 0.000 1.230 1006 A HN 0.735 nan 8.150 nan 0.000 0.448 1007 R N 2.215 122.646 120.500 -0.116 0.000 2.467 1007 R HA 0.498 4.834 4.340 -0.007 0.000 0.299 1007 R C 0.712 176.989 176.300 -0.038 0.000 1.120 1007 R CA 0.045 56.112 56.100 -0.055 0.000 0.940 1007 R CB 1.638 31.898 30.300 -0.067 0.000 1.161 1007 R HN 0.760 nan 8.270 nan 0.000 0.506 1008 A N 2.952 125.764 122.820 -0.013 0.000 1.832 1008 A HA 0.000 4.316 4.320 -0.007 0.000 0.214 1008 A C 0.904 178.481 177.584 -0.012 0.000 1.204 1008 A CA 1.075 53.106 52.037 -0.011 0.000 0.606 1008 A CB 0.105 19.107 19.000 0.003 0.000 0.849 1008 A HN 0.535 nan 8.150 nan 0.000 0.445 1009 R N -0.995 119.501 120.500 -0.006 0.000 2.985 1009 R HA 0.409 4.745 4.340 -0.007 0.000 0.259 1009 R C -0.238 176.056 176.300 -0.010 0.000 1.815 1009 R CA 0.209 56.304 56.100 -0.008 0.000 1.278 1009 R CB 0.676 30.974 30.300 -0.005 0.000 1.403 1009 R HN 0.532 nan 8.270 nan 0.000 0.534 1010 G N 2.284 111.074 108.800 -0.016 0.000 2.552 1010 G HA2 0.555 4.511 3.960 -0.007 0.000 0.318 1010 G HA3 0.555 4.511 3.960 -0.007 0.000 0.318 1010 G C -2.264 172.620 174.900 -0.026 0.000 1.240 1010 G CA -1.122 43.962 45.100 -0.027 0.000 1.002 1010 G HN 0.359 nan 8.290 nan 0.000 0.493 1011 P HA 0.285 nan 4.420 nan 0.000 0.271 1011 P C -0.081 177.203 177.300 -0.026 0.000 1.233 1011 P CA -0.127 62.955 63.100 -0.031 0.000 0.789 1011 P CB 1.162 32.842 31.700 -0.034 0.000 0.951 1012 V N -2.011 117.884 119.914 -0.032 0.000 3.019 1012 V HA 0.450 4.566 4.120 -0.007 0.000 0.317 1012 V C -0.134 175.943 176.094 -0.028 0.000 1.094 1012 V CA -1.098 61.184 62.300 -0.030 0.000 1.000 1012 V CB 1.171 32.965 31.823 -0.048 0.000 1.060 1012 V HN 0.426 nan 8.190 nan 0.000 0.443 1013 Q N 1.484 121.275 119.800 -0.016 0.000 2.304 1013 Q HA 0.380 4.716 4.340 -0.007 0.000 0.260 1013 Q C 1.205 177.193 176.000 -0.020 0.000 0.965 1013 Q CA 0.151 55.949 55.803 -0.008 0.000 0.898 1013 Q CB 1.681 30.426 28.738 0.011 0.000 1.196 1013 Q HN 0.889 nan 8.270 nan 0.000 0.402 1014 I N 0.182 120.740 120.570 -0.021 0.000 2.850 1014 I HA -0.201 3.965 4.170 -0.007 0.000 0.266 1014 I C 1.143 177.256 176.117 -0.007 0.000 1.257 1014 I CA 0.956 62.236 61.300 -0.033 0.000 1.465 1014 I CB -0.056 37.928 38.000 -0.026 0.000 1.091 1014 I HN 0.582 nan 8.210 nan 0.000 0.467 1015 L N 1.470 122.709 121.223 0.025 0.000 2.200 1015 L HA 0.024 4.359 4.340 -0.007 0.000 0.200 1015 L C 2.350 179.309 176.870 0.149 0.000 1.072 1015 L CA 2.135 57.019 54.840 0.074 0.000 0.787 1015 L CB -0.586 41.505 42.059 0.054 0.000 0.957 1015 L HN 0.515 nan 8.230 nan 0.000 0.459 1016 T N -3.936 110.687 114.554 0.115 0.000 3.022 1016 T HA 0.097 4.443 4.350 -0.007 0.000 0.250 1016 T C 1.043 175.838 174.700 0.159 0.000 1.060 1016 T CA -0.239 61.965 62.100 0.174 0.000 1.013 1016 T CB 0.079 69.012 68.868 0.109 0.000 0.982 1016 T HN 0.229 nan 8.240 nan 0.000 0.508 1017 R N 1.307 121.799 120.500 -0.013 0.000 3.405 1017 R HA -0.141 4.195 4.340 -0.007 0.000 0.258 1017 R C -0.604 175.684 176.300 -0.020 0.000 1.030 1017 R CA 0.606 56.635 56.100 -0.118 0.000 0.691 1017 R CB -2.022 28.050 30.300 -0.381 0.000 1.093 1017 R HN 0.672 nan 8.270 nan 0.000 0.448 1018 Q N -0.631 119.178 119.800 0.015 0.000 2.394 1018 Q HA 0.435 4.771 4.340 -0.007 0.000 0.273 1018 Q C -2.466 173.545 176.000 0.019 0.000 1.089 1018 Q CA -2.444 53.378 55.803 0.030 0.000 0.812 1018 Q CB 2.273 31.046 28.738 0.058 0.000 1.353 1018 Q HN -0.102 nan 8.270 nan 0.000 0.438 1019 P HA -0.082 nan 4.420 nan 0.000 0.264 1019 P C -0.556 176.758 177.300 0.022 0.000 1.183 1019 P CA 0.266 63.374 63.100 0.014 0.000 0.763 1019 P CB 0.278 31.989 31.700 0.018 0.000 0.807 1020 T N 0.313 114.875 114.554 0.014 0.000 2.903 1020 T HA 0.065 4.410 4.350 -0.007 0.000 0.314 1020 T C 0.193 174.913 174.700 0.034 0.000 1.078 1020 T CA -0.607 61.503 62.100 0.016 0.000 1.114 1020 T CB 0.540 69.409 68.868 0.002 0.000 0.987 1020 T HN 0.356 nan 8.240 nan 0.000 0.548 1021 E N 0.663 120.882 120.200 0.032 0.000 2.249 1021 E HA 0.504 4.849 4.350 -0.007 0.000 0.280 1021 E C 0.279 176.892 176.600 0.022 0.000 1.016 1021 E CA 0.091 56.516 56.400 0.042 0.000 0.830 1021 E CB 0.913 30.634 29.700 0.035 0.000 1.081 1021 E HN 1.204 nan 8.360 nan 0.000 0.395 1022 G N 3.715 112.525 108.800 0.016 0.000 2.640 1022 G HA2 -0.173 3.783 3.960 -0.007 0.000 0.686 1022 G HA3 -0.173 3.783 3.960 -0.007 0.000 0.686 1022 G C 0.313 175.134 174.900 -0.132 0.000 1.229 1022 G CA -0.009 45.049 45.100 -0.071 0.000 0.796 1022 G HN 0.631 nan 8.290 nan 0.000 0.654 1023 R N 1.157 121.447 120.500 -0.350 0.000 2.070 1023 R HA 0.118 4.453 4.340 -0.007 0.000 0.233 1023 R C 3.014 179.286 176.300 -0.046 0.000 1.137 1023 R CA 2.813 58.706 56.100 -0.345 0.000 0.945 1023 R CB -0.503 29.578 30.300 -0.365 0.000 0.845 1023 R HN 1.378 nan 8.270 nan 0.000 0.430 1024 A N 0.867 123.670 122.820 -0.029 0.000 1.940 1024 A HA -0.130 4.186 4.320 -0.007 0.000 0.219 1024 A C 1.902 179.477 177.584 -0.014 0.000 1.176 1024 A CA 1.582 53.642 52.037 0.038 0.000 0.631 1024 A CB -0.337 18.690 19.000 0.045 0.000 0.814 1024 A HN 0.432 nan 8.150 nan 0.000 0.446 1025 R N -0.234 120.242 120.500 -0.040 0.000 2.427 1025 R HA 0.084 4.420 4.340 -0.007 0.000 0.262 1025 R C 0.626 176.874 176.300 -0.087 0.000 0.943 1025 R CA 0.440 56.504 56.100 -0.061 0.000 1.081 1025 R CB -0.017 30.268 30.300 -0.025 0.000 1.166 1025 R HN 0.774 nan 8.270 nan 0.000 0.534 1026 E N 0.263 120.409 120.200 -0.090 0.000 3.606 1026 E HA -0.398 3.948 4.350 -0.007 0.000 0.354 1026 E C 0.934 177.543 176.600 0.015 0.000 1.569 1026 E CA 1.675 58.059 56.400 -0.026 0.000 1.986 1026 E CB -1.226 28.366 29.700 -0.180 0.000 1.813 1026 E HN 0.265 nan 8.360 nan 0.000 0.435 1027 G N 0.181 108.975 108.800 -0.011 0.000 4.686 1027 G HA2 0.139 4.095 3.960 -0.007 0.000 0.235 1027 G HA3 0.139 4.095 3.960 -0.007 0.000 0.235 1027 G C 0.608 175.511 174.900 0.005 0.000 1.589 1027 G CA 1.214 46.312 45.100 -0.003 0.000 1.172 1027 G HN 1.809 nan 8.290 nan 0.000 0.660 1028 G N -1.098 107.719 108.800 0.028 0.000 2.442 1028 G HA2 0.626 4.582 3.960 -0.007 0.000 0.296 1028 G HA3 0.626 4.582 3.960 -0.007 0.000 0.296 1028 G C -0.001 174.929 174.900 0.050 0.000 1.564 1028 G CA -0.056 45.054 45.100 0.016 0.000 0.828 1028 G HN 0.817 nan 8.290 nan 0.000 0.571 1029 L N -0.324 120.917 121.223 0.031 0.000 2.491 1029 L HA 0.527 4.863 4.340 -0.007 0.000 0.158 1029 L C 1.234 178.160 176.870 0.094 0.000 1.029 1029 L CA -0.175 54.709 54.840 0.073 0.000 1.656 1029 L CB 0.222 42.309 42.059 0.047 0.000 2.075 1029 L HN 0.542 nan 8.230 nan 0.000 0.484 1030 R N -0.971 119.595 120.500 0.109 0.000 2.698 1030 R HA 0.348 4.684 4.340 -0.007 0.000 0.275 1030 R C -1.946 174.468 176.300 0.190 0.000 1.001 1030 R CA -0.578 55.599 56.100 0.127 0.000 0.896 1030 R CB 1.814 32.164 30.300 0.084 0.000 1.218 1030 R HN 0.304 nan 8.270 nan 0.000 0.462 1031 F N 2.515 122.478 119.950 0.023 0.000 2.824 1031 F HA 0.424 4.946 4.527 -0.007 0.000 0.375 1031 F C 0.069 175.884 175.800 0.025 0.000 1.190 1031 F CA -0.293 57.720 58.000 0.022 0.000 1.180 1031 F CB 1.252 40.264 39.000 0.020 0.000 1.477 1031 F HN 0.669 nan 8.300 nan 0.000 0.542 1032 G N 2.495 111.230 108.800 -0.108 0.000 2.653 1032 G HA2 0.181 4.136 3.960 -0.007 0.000 0.265 1032 G HA3 0.181 4.136 3.960 -0.007 0.000 0.265 1032 G C 0.520 175.370 174.900 -0.082 0.000 1.237 1032 G CA -0.350 44.716 45.100 -0.056 0.000 0.946 1032 G HN 0.623 nan 8.290 nan 0.000 0.522 1033 E N -0.140 120.046 120.200 -0.024 0.000 2.160 1033 E HA -0.155 4.190 4.350 -0.007 0.000 0.195 1033 E C 2.373 178.943 176.600 -0.050 0.000 0.991 1033 E CA 1.162 57.556 56.400 -0.010 0.000 0.810 1033 E CB -0.167 29.536 29.700 0.006 0.000 0.742 1033 E HN 0.457 nan 8.360 nan 0.000 0.466 1034 M N 0.142 119.691 119.600 -0.085 0.000 2.296 1034 M HA -0.101 4.375 4.480 -0.007 0.000 0.265 1034 M C 1.305 177.510 176.300 -0.159 0.000 1.064 1034 M CA 1.276 56.517 55.300 -0.098 0.000 1.109 1034 M CB -0.103 32.444 32.600 -0.088 0.000 1.396 1034 M HN 0.038 nan 8.290 nan 0.000 0.430 1035 E N 0.076 120.092 120.200 -0.307 0.000 2.250 1035 E HA -0.093 4.253 4.350 -0.007 0.000 0.192 1035 E C 1.792 178.172 176.600 -0.367 0.000 0.986 1035 E CA 0.644 56.708 56.400 -0.560 0.000 0.849 1035 E CB -0.126 28.815 29.700 -1.265 0.000 0.797 1035 E HN 0.499 nan 8.360 nan 0.000 0.482 1036 R N 0.921 121.353 120.500 -0.115 0.000 2.120 1036 R HA -0.088 4.247 4.340 -0.007 0.000 0.234 1036 R C 1.067 177.419 176.300 0.087 0.000 1.123 1036 R CA 1.675 57.874 56.100 0.165 0.000 0.975 1036 R CB -0.368 30.039 30.300 0.178 0.000 0.866 1036 R HN -0.008 nan 8.270 nan 0.000 0.446 1037 D N 0.900 121.307 120.400 0.011 0.000 2.123 1037 D HA -0.163 4.473 4.640 -0.007 0.000 0.196 1037 D C 1.885 178.187 176.300 0.003 0.000 0.992 1037 D CA 1.314 55.314 54.000 -0.000 0.000 0.833 1037 D CB -0.681 40.102 40.800 -0.028 0.000 0.954 1037 D HN 0.275 nan 8.370 nan 0.000 0.455 1038 C N 0.438 119.742 119.300 0.007 0.000 2.401 1038 C HA -0.117 4.338 4.460 -0.007 0.000 0.276 1038 C C 2.854 177.951 174.990 0.178 0.000 1.233 1038 C CA 0.441 59.493 59.018 0.056 0.000 1.753 1038 C CB -1.029 26.764 27.740 0.089 0.000 2.029 1038 C HN 0.348 nan 8.230 nan 0.000 0.478 1039 L N 0.026 121.378 121.223 0.215 0.000 2.049 1039 L HA -0.060 4.276 4.340 -0.007 0.000 0.203 1039 L C 2.357 179.341 176.870 0.190 0.000 1.074 1039 L CA 1.431 56.431 54.840 0.267 0.000 0.749 1039 L CB -0.653 41.560 42.059 0.257 0.000 0.907 1039 L HN 0.318 nan 8.230 nan 0.000 0.439 1040 I N 0.356 120.996 120.570 0.117 0.000 2.248 1040 I HA -0.261 3.904 4.170 -0.007 0.000 0.248 1040 I C 2.628 178.769 176.117 0.040 0.000 1.107 1040 I CA 1.481 62.823 61.300 0.070 0.000 1.373 1040 I CB -1.091 36.934 38.000 0.042 0.000 1.055 1040 I HN 0.309 nan 8.210 nan 0.000 0.418 1041 G N 0.717 109.513 108.800 -0.006 0.000 2.469 1041 G HA2 -0.246 3.710 3.960 -0.007 0.000 0.220 1041 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.220 1041 G C 1.523 176.312 174.900 -0.184 0.000 1.136 1041 G CA 0.737 45.757 45.100 -0.134 0.000 0.759 1041 G HN 0.348 nan 8.290 nan 0.000 0.562 1042 F N 0.315 120.275 119.950 0.016 0.000 2.512 1042 F HA 0.264 4.787 4.527 -0.007 0.000 0.296 1042 F C 2.362 178.169 175.800 0.011 0.000 1.110 1042 F CA 0.768 58.776 58.000 0.013 0.000 1.446 1042 F CB 0.473 39.484 39.000 0.018 0.000 1.092 1042 F HN 0.328 nan 8.300 nan 0.000 0.554 1043 G N -0.407 108.499 108.800 0.177 0.000 2.284 1043 G HA2 -0.343 3.612 3.960 -0.007 0.000 0.247 1043 G HA3 -0.343 3.612 3.960 -0.007 0.000 0.247 1043 G C 0.807 175.767 174.900 0.099 0.000 1.012 1043 G CA 0.386 45.550 45.100 0.107 0.000 0.618 1043 G HN 0.294 nan 8.290 nan 0.000 0.521 1044 T N 1.485 116.116 114.554 0.130 0.000 2.741 1044 T HA 0.362 4.708 4.350 -0.007 0.000 0.237 1044 T C 1.814 176.543 174.700 0.048 0.000 1.065 1044 T CA 1.177 63.317 62.100 0.068 0.000 1.560 1044 T CB -0.334 68.555 68.868 0.034 0.000 1.071 1044 T HN 1.364 nan 8.240 nan 0.000 0.542 1045 A N 6.347 129.185 122.820 0.030 0.000 1.968 1045 A HA 0.052 4.367 4.320 -0.007 0.000 0.217 1045 A C 2.318 179.903 177.584 0.002 0.000 1.169 1045 A CA 0.665 52.713 52.037 0.019 0.000 0.638 1045 A CB -0.253 18.754 19.000 0.011 0.000 0.812 1045 A HN 0.715 nan 8.150 nan 0.000 0.446 1046 M N -1.108 118.488 119.600 -0.007 0.000 2.349 1046 M HA 0.056 4.532 4.480 -0.007 0.000 0.266 1046 M C 1.966 178.248 176.300 -0.030 0.000 1.076 1046 M CA 0.845 56.133 55.300 -0.020 0.000 1.126 1046 M CB -0.876 31.710 32.600 -0.023 0.000 1.392 1046 M HN 0.431 nan 8.290 nan 0.000 0.440 1047 L N 0.201 121.408 121.223 -0.026 0.000 2.027 1047 L HA -0.106 4.230 4.340 -0.007 0.000 0.206 1047 L C 2.192 179.031 176.870 -0.051 0.000 1.074 1047 L CA 1.489 56.304 54.840 -0.041 0.000 0.745 1047 L CB -0.858 41.183 42.059 -0.030 0.000 0.898 1047 L HN 0.191 nan 8.230 nan 0.000 0.433 1048 L N -0.662 120.554 121.223 -0.012 0.000 2.079 1048 L HA -0.288 4.047 4.340 -0.007 0.000 0.210 1048 L C 2.654 179.499 176.870 -0.042 0.000 1.081 1048 L CA 1.695 56.534 54.840 -0.001 0.000 0.752 1048 L CB -0.294 41.792 42.059 0.045 0.000 0.896 1048 L HN 0.310 nan 8.230 nan 0.000 0.433 1049 K N -0.250 120.127 120.400 -0.039 0.000 2.001 1049 K HA -0.223 4.093 4.320 -0.007 0.000 0.208 1049 K C 1.034 177.592 176.600 -0.070 0.000 1.048 1049 K CA 1.809 58.068 56.287 -0.047 0.000 0.932 1049 K CB -0.065 32.413 32.500 -0.037 0.000 0.715 1049 K HN 0.187 nan 8.250 nan 0.000 0.437 1050 D N -0.267 120.088 120.400 -0.076 0.000 2.494 1050 D HA -0.025 4.611 4.640 -0.007 0.000 0.249 1050 D C 0.740 176.958 176.300 -0.136 0.000 1.223 1050 D CA 0.192 54.140 54.000 -0.086 0.000 0.865 1050 D CB 0.280 41.039 40.800 -0.068 0.000 0.974 1050 D HN 0.015 nan 8.370 nan 0.000 0.491 1051 R N -0.644 119.743 120.500 -0.188 0.000 2.471 1051 R HA 0.254 4.589 4.340 -0.007 0.000 0.326 1051 R C -0.177 175.906 176.300 -0.360 0.000 0.875 1051 R CA 0.137 56.029 56.100 -0.346 0.000 1.102 1051 R CB 0.030 30.022 30.300 -0.514 0.000 1.749 1051 R HN 0.190 nan 8.270 nan 0.000 0.487 1052 L N -0.330 120.784 121.223 -0.181 0.000 3.515 1052 L HA 0.457 4.792 4.340 -0.007 0.000 0.322 1052 L C 0.441 177.291 176.870 -0.032 0.000 1.225 1052 L CA 0.412 55.201 54.840 -0.085 0.000 1.104 1052 L CB 0.888 42.930 42.059 -0.027 0.000 1.506 1052 L HN 0.216 nan 8.230 nan 0.000 0.624 1053 L N -2.319 118.877 121.223 -0.044 0.000 2.603 1053 L HA 0.319 4.654 4.340 -0.007 0.000 0.189 1053 L C 1.207 178.064 176.870 -0.021 0.000 1.082 1053 L CA 0.347 55.174 54.840 -0.021 0.000 0.921 1053 L CB 0.213 42.255 42.059 -0.028 0.000 1.694 1053 L HN -0.132 nan 8.230 nan 0.000 0.491 1054 D N 0.979 121.357 120.400 -0.037 0.000 2.263 1054 D HA -0.059 4.577 4.640 -0.007 0.000 0.208 1054 D C 0.200 176.480 176.300 -0.032 0.000 0.971 1054 D CA 0.963 54.944 54.000 -0.032 0.000 0.867 1054 D CB 0.032 40.807 40.800 -0.040 0.000 0.929 1054 D HN 0.339 nan 8.370 nan 0.000 0.492 1055 N N -0.316 118.356 118.700 -0.047 0.000 2.598 1055 N HA 0.161 4.897 4.740 -0.007 0.000 0.309 1055 N C -0.110 175.380 175.510 -0.034 0.000 1.645 1055 N CA -0.025 52.997 53.050 -0.047 0.000 0.936 1055 N CB 1.666 40.109 38.487 -0.074 0.000 1.323 1055 N HN -0.152 nan 8.380 nan 0.000 0.497 1056 S N 0.429 116.123 115.700 -0.010 0.000 4.471 1056 S HA 0.030 4.496 4.470 -0.007 0.000 0.191 1056 S C -0.943 173.674 174.600 0.028 0.000 1.128 1056 S CA -0.022 58.186 58.200 0.012 0.000 1.153 1056 S CB 0.492 63.707 63.200 0.026 0.000 1.583 1056 S HN 0.456 nan 8.310 nan 0.000 0.590 1057 D N 0.922 121.350 120.400 0.047 0.000 3.256 1057 D HA 0.170 4.806 4.640 -0.007 0.000 0.332 1057 D C -0.657 175.700 176.300 0.094 0.000 1.327 1057 D CA -0.344 53.702 54.000 0.077 0.000 0.735 1057 D CB -0.565 40.321 40.800 0.142 0.000 1.280 1057 D HN 0.076 nan 8.370 nan 0.000 0.572 1058 R N 0.793 121.328 120.500 0.058 0.000 2.402 1058 R HA 0.360 4.695 4.340 -0.007 0.000 0.331 1058 R C -0.225 176.129 176.300 0.091 0.000 1.040 1058 R CA 0.629 56.765 56.100 0.060 0.000 0.980 1058 R CB 0.313 30.633 30.300 0.033 0.000 0.967 1058 R HN 0.246 nan 8.270 nan 0.000 0.440 1059 T N 0.050 114.684 114.554 0.133 0.000 2.887 1059 T HA 0.411 4.757 4.350 -0.007 0.000 0.292 1059 T C 0.011 174.792 174.700 0.134 0.000 1.087 1059 T CA -0.972 61.240 62.100 0.187 0.000 1.009 1059 T CB 1.944 71.000 68.868 0.314 0.000 1.203 1059 T HN 0.462 nan 8.240 nan 0.000 0.518 1060 T N -0.684 113.947 114.554 0.128 0.000 2.952 1060 T HA 0.813 5.159 4.350 -0.007 0.000 0.286 1060 T C -0.684 173.930 174.700 -0.143 0.000 1.024 1060 T CA -0.746 61.292 62.100 -0.104 0.000 1.029 1060 T CB 0.796 69.468 68.868 -0.326 0.000 1.094 1060 T HN 0.424 nan 8.240 nan 0.000 0.515 1061 I N 0.923 121.295 120.570 -0.330 0.000 2.569 1061 I HA 0.335 4.501 4.170 -0.007 0.000 0.290 1061 I C -1.387 174.460 176.117 -0.449 0.000 1.088 1061 I CA -0.801 60.352 61.300 -0.244 0.000 1.047 1061 I CB 1.996 40.011 38.000 0.025 0.000 1.237 1061 I HN 0.671 nan 8.210 nan 0.000 0.421 1062 Y N 5.445 125.646 120.300 -0.164 0.000 2.404 1062 Y HA 0.526 5.071 4.550 -0.007 0.000 0.344 1062 Y C -0.049 175.817 175.900 -0.058 0.000 0.970 1062 Y CA -0.845 57.144 58.100 -0.185 0.000 1.180 1062 Y CB 1.111 39.395 38.460 -0.293 0.000 1.138 1062 Y HN 0.153 nan 8.280 nan 0.000 0.510 1063 V N 3.930 123.897 119.914 0.088 0.000 2.439 1063 V HA 0.133 4.248 4.120 -0.007 0.000 0.282 1063 V C 0.096 176.205 176.094 0.025 0.000 1.039 1063 V CA -1.114 61.234 62.300 0.080 0.000 0.913 1063 V CB 1.304 33.187 31.823 0.101 0.000 0.983 1063 V HN 0.959 nan 8.190 nan 0.000 0.460 1064 C N 4.580 123.877 119.300 -0.005 0.000 2.632 1064 C HA 0.133 4.589 4.460 -0.007 0.000 0.415 1064 C C 1.904 176.870 174.990 -0.041 0.000 1.332 1064 C CA -0.171 58.813 59.018 -0.057 0.000 1.874 1064 C CB -0.114 27.590 27.740 -0.061 0.000 2.596 1064 C HN 1.029 nan 8.230 nan 0.000 0.590 1065 D N 1.796 122.166 120.400 -0.049 0.000 2.117 1065 D HA -0.132 4.504 4.640 -0.007 0.000 0.197 1065 D C 1.960 178.251 176.300 -0.015 0.000 0.987 1065 D CA 1.809 55.819 54.000 0.017 0.000 0.829 1065 D CB 0.058 40.871 40.800 0.023 0.000 0.961 1065 D HN 0.833 nan 8.370 nan 0.000 0.460 1066 Q N -0.470 119.303 119.800 -0.045 0.000 1.990 1066 Q HA -0.131 4.204 4.340 -0.007 0.000 0.200 1066 Q C 2.663 178.611 176.000 -0.086 0.000 0.980 1066 Q CA 1.947 57.720 55.803 -0.050 0.000 0.832 1066 Q CB -0.004 28.707 28.738 -0.044 0.000 0.897 1066 Q HN 0.525 nan 8.270 nan 0.000 0.427 1067 C N -3.363 115.851 119.300 -0.144 0.000 2.609 1067 C HA 0.639 5.095 4.460 -0.007 0.000 0.305 1067 C C 1.511 176.235 174.990 -0.444 0.000 1.319 1067 C CA 0.387 59.239 59.018 -0.278 0.000 1.793 1067 C CB 0.255 27.809 27.740 -0.310 0.000 2.260 1067 C HN 0.679 nan 8.230 nan 0.000 0.535 1068 G N 0.980 109.580 108.800 -0.332 0.000 2.539 1068 G HA2 -0.060 3.896 3.960 -0.007 0.000 0.230 1068 G HA3 -0.060 3.896 3.960 -0.007 0.000 0.230 1068 G C -0.215 174.577 174.900 -0.179 0.000 1.758 1068 G CA 0.028 44.971 45.100 -0.261 0.000 1.433 1068 G HN 1.183 nan 8.290 nan 0.000 0.494 1069 Y N 1.002 121.338 120.300 0.060 0.000 2.903 1069 Y HA 0.595 5.141 4.550 -0.007 0.000 0.338 1069 Y C 1.397 177.343 175.900 0.077 0.000 1.265 1069 Y CA 0.177 58.319 58.100 0.070 0.000 1.532 1069 Y CB 0.421 38.914 38.460 0.056 0.000 1.293 1069 Y HN 0.730 nan 8.280 nan 0.000 0.609 1070 I N 0.412 121.158 120.570 0.293 0.000 4.156 1070 I HA 0.061 4.227 4.170 -0.007 0.000 0.402 1070 I C 0.759 177.064 176.117 0.313 0.000 0.768 1070 I CA 0.537 62.002 61.300 0.274 0.000 1.308 1070 I CB -0.386 37.779 38.000 0.275 0.000 3.255 1070 I HN 0.934 nan 8.210 nan 0.000 0.936 1071 G N 0.645 109.650 108.800 0.342 0.000 2.343 1071 G HA2 0.159 4.115 3.960 -0.007 0.000 0.254 1071 G HA3 0.159 4.115 3.960 -0.007 0.000 0.254 1071 G C 0.246 175.548 174.900 0.670 0.000 1.277 1071 G CA 0.028 45.453 45.100 0.541 0.000 0.909 1071 G HN 0.279 nan 8.290 nan 0.000 0.502 1072 W N 1.896 123.522 121.300 0.542 0.000 1.601 1072 W HA 0.145 4.801 4.660 -0.007 0.000 0.279 1072 W C 0.530 177.380 176.519 0.553 0.000 0.890 1072 W CA 1.980 59.650 57.345 0.543 0.000 0.945 1072 W CB -0.663 28.980 29.460 0.306 0.000 1.061 1072 W HN 0.616 nan 8.180 nan 0.000 0.521 1073 Y N 0.547 121.146 120.300 0.498 0.000 2.594 1073 Y HA -0.220 4.325 4.550 -0.007 0.000 0.026 1073 Y C -0.052 175.916 175.900 0.114 0.000 1.795 1073 Y CA 0.220 58.456 58.100 0.226 0.000 1.356 1073 Y CB -1.312 37.201 38.460 0.088 0.000 2.007 1073 Y HN 0.148 nan 8.280 nan 0.000 0.267 1074 D N 0.744 121.258 120.400 0.190 0.000 2.851 1074 D HA 0.404 5.040 4.640 -0.007 0.000 0.339 1074 D C 0.189 176.494 176.300 0.009 0.000 1.347 1074 D CA -0.124 53.885 54.000 0.014 0.000 0.888 1074 D CB 1.416 42.268 40.800 0.087 0.000 1.431 1074 D HN 0.522 nan 8.370 nan 0.000 0.509 1075 K N -0.645 119.734 120.400 -0.035 0.000 2.631 1075 K HA 0.260 4.576 4.320 -0.007 0.000 0.200 1075 K C -0.070 176.462 176.600 -0.114 0.000 1.481 1075 K CA -0.189 56.029 56.287 -0.114 0.000 1.087 1075 K CB 0.572 33.048 32.500 -0.041 0.000 1.502 1075 K HN 0.047 nan 8.250 nan 0.000 0.560 1076 N N 1.947 120.613 118.700 -0.057 0.000 2.443 1076 N HA 0.189 4.924 4.740 -0.007 0.000 0.295 1076 N C -1.304 174.183 175.510 -0.037 0.000 1.076 1076 N CA -0.714 52.307 53.050 -0.048 0.000 0.919 1076 N CB 1.517 39.988 38.487 -0.026 0.000 1.176 1076 N HN 0.107 nan 8.380 nan 0.000 0.487 1077 K N 0.835 121.213 120.400 -0.037 0.000 4.007 1077 K HA -0.294 4.022 4.320 -0.007 0.000 0.279 1077 K C -0.533 176.053 176.600 -0.023 0.000 0.919 1077 K CA 0.305 56.577 56.287 -0.025 0.000 0.800 1077 K CB -0.804 31.689 32.500 -0.012 0.000 1.572 1077 K HN 0.740 nan 8.250 nan 0.000 0.443 1078 N N 0.084 118.758 118.700 -0.044 0.000 3.166 1078 N HA 0.118 4.854 4.740 -0.007 0.000 0.242 1078 N C 0.562 175.993 175.510 -0.132 0.000 1.017 1078 N CA 0.962 53.970 53.050 -0.069 0.000 1.113 1078 N CB 0.487 38.942 38.487 -0.054 0.000 1.629 1078 N HN 0.435 nan 8.380 nan 0.000 0.601 1079 K N -2.141 118.158 120.400 -0.168 0.000 2.366 1079 K HA 0.315 4.631 4.320 -0.007 0.000 0.312 1079 K C -1.078 175.268 176.600 -0.423 0.000 0.967 1079 K CA -0.574 55.513 56.287 -0.332 0.000 0.868 1079 K CB 0.350 32.704 32.500 -0.244 0.000 3.506 1079 K HN -0.079 nan 8.250 nan 0.000 1.211 1080 Y N 0.523 120.732 120.300 -0.151 0.000 2.341 1080 Y HA 0.688 5.234 4.550 -0.007 0.000 0.337 1080 Y C -0.509 175.283 175.900 -0.181 0.000 1.014 1080 Y CA -0.886 57.086 58.100 -0.212 0.000 1.111 1080 Y CB 2.196 40.480 38.460 -0.295 0.000 1.194 1080 Y HN 0.243 nan 8.280 nan 0.000 0.462 1081 V N 3.022 122.924 119.914 -0.020 0.000 3.147 1081 V HA 0.682 4.798 4.120 -0.007 0.000 0.306 1081 V C -0.870 174.992 176.094 -0.387 0.000 1.209 1081 V CA -0.864 61.305 62.300 -0.218 0.000 1.023 1081 V CB 2.042 33.664 31.823 -0.334 0.000 1.059 1081 V HN 1.051 nan 8.190 nan 0.000 0.435 1082 C N 2.367 121.429 119.300 -0.397 0.000 2.871 1082 C HA 0.720 5.176 4.460 -0.007 0.000 0.351 1082 C C -1.928 172.857 174.990 -0.343 0.000 1.338 1082 C CA -1.782 57.040 59.018 -0.326 0.000 1.686 1082 C CB 1.350 29.042 27.740 -0.080 0.000 2.135 1082 C HN 0.652 nan 8.230 nan 0.000 0.476 1083 P HA 0.071 nan 4.420 nan 0.000 0.239 1083 P C 0.844 178.267 177.300 0.205 0.000 1.184 1083 P CA 0.849 64.017 63.100 0.114 0.000 0.760 1083 P CB -0.131 31.658 31.700 0.148 0.000 0.884 1084 I N -2.947 117.713 120.570 0.149 0.000 4.018 1084 I HA 0.156 4.322 4.170 -0.007 0.000 0.337 1084 I C 0.439 176.649 176.117 0.155 0.000 1.327 1084 I CA -0.065 61.309 61.300 0.124 0.000 1.100 1084 I CB -1.582 36.462 38.000 0.073 0.000 1.025 1084 I HN 0.075 nan 8.210 nan 0.000 0.396 1085 H N 1.218 120.238 119.070 -0.084 0.000 1.452 1085 H HA -0.011 4.540 4.556 -0.007 0.000 0.090 1085 H C 1.241 176.529 175.328 -0.067 0.000 2.539 1085 H CA 1.052 57.047 56.048 -0.089 0.000 1.901 1085 H CB -1.484 28.242 29.762 -0.061 0.000 2.257 1085 H HN 0.511 nan 8.280 nan 0.000 0.961 1086 G N -0.800 108.052 108.800 0.086 0.000 2.894 1086 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.247 1086 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.247 1086 G C 0.380 175.268 174.900 -0.021 0.000 1.442 1086 G CA 0.420 45.535 45.100 0.025 0.000 0.897 1086 G HN 0.774 nan 8.290 nan 0.000 0.550 1087 D N 0.454 120.842 120.400 -0.021 0.000 2.347 1087 D HA 0.007 4.643 4.640 -0.007 0.000 0.215 1087 D C 1.379 177.651 176.300 -0.046 0.000 0.976 1087 D CA 0.643 54.623 54.000 -0.034 0.000 0.884 1087 D CB 0.092 40.877 40.800 -0.026 0.000 0.915 1087 D HN 0.405 nan 8.370 nan 0.000 0.526 1088 K N 1.472 121.849 120.400 -0.038 0.000 2.524 1088 K HA -0.015 4.301 4.320 -0.007 0.000 0.279 1088 K C 0.678 177.235 176.600 -0.071 0.000 0.993 1088 K CA 0.327 56.588 56.287 -0.043 0.000 1.030 1088 K CB 0.443 32.927 32.500 -0.027 0.000 0.891 1088 K HN 0.043 nan 8.250 nan 0.000 0.488 1089 S N 1.575 117.229 115.700 -0.076 0.000 3.477 1089 S HA -0.183 4.282 4.470 -0.007 0.000 0.371 1089 S C 0.127 174.605 174.600 -0.203 0.000 0.965 1089 S CA 0.261 58.396 58.200 -0.109 0.000 1.239 1089 S CB -1.696 61.459 63.200 -0.075 0.000 0.918 1089 S HN 0.746 nan 8.310 nan 0.000 0.498 1090 N N 1.243 119.808 118.700 -0.225 0.000 2.167 1090 N HA 0.019 4.754 4.740 -0.007 0.000 0.258 1090 N C 0.954 176.153 175.510 -0.519 0.000 1.241 1090 N CA 0.745 53.623 53.050 -0.287 0.000 0.829 1090 N CB 0.079 38.433 38.487 -0.221 0.000 1.072 1090 N HN 0.609 nan 8.380 nan 0.000 0.466 1091 L N 1.443 122.415 121.223 -0.418 0.000 2.461 1091 L HA 0.178 4.513 4.340 -0.007 0.000 0.259 1091 L C 0.247 176.757 176.870 -0.601 0.000 1.248 1091 L CA 0.422 55.012 54.840 -0.417 0.000 0.823 1091 L CB 0.073 41.974 42.059 -0.264 0.000 1.111 1091 L HN 0.398 nan 8.230 nan 0.000 0.516 1092 F N -0.193 119.699 119.950 -0.096 0.000 2.562 1092 F HA 0.335 4.857 4.527 -0.007 0.000 0.319 1092 F C -2.164 173.563 175.800 -0.122 0.000 1.154 1092 F CA -2.209 55.730 58.000 -0.101 0.000 0.931 1092 F CB 1.896 40.847 39.000 -0.082 0.000 1.198 1092 F HN 0.160 nan 8.300 nan 0.000 0.444 1093 P HA 0.111 nan 4.420 nan 0.000 0.267 1093 P C -1.105 176.104 177.300 -0.150 0.000 1.205 1093 P CA 0.018 62.988 63.100 -0.217 0.000 0.765 1093 P CB 0.881 32.511 31.700 -0.116 0.000 0.828 1094 V N 3.484 123.270 119.914 -0.214 0.000 2.532 1094 V HA 0.167 4.283 4.120 -0.007 0.000 0.294 1094 V C 0.053 176.072 176.094 -0.125 0.000 1.036 1094 V CA -0.505 61.714 62.300 -0.134 0.000 0.876 1094 V CB 1.724 33.492 31.823 -0.092 0.000 1.012 1094 V HN 0.381 nan 8.190 nan 0.000 0.432 1095 T N 4.809 119.303 114.554 -0.098 0.000 2.750 1095 T HA 0.436 4.782 4.350 -0.007 0.000 0.286 1095 T C -0.127 174.535 174.700 -0.063 0.000 0.911 1095 T CA 0.319 62.380 62.100 -0.065 0.000 1.130 1095 T CB 0.307 69.145 68.868 -0.050 0.000 0.873 1095 T HN 0.404 nan 8.240 nan 0.000 0.536 1096 V N 3.168 123.061 119.914 -0.034 0.000 3.049 1096 V HA 0.456 4.571 4.120 -0.007 0.000 0.309 1096 V C 0.105 176.226 176.094 0.045 0.000 1.148 1096 V CA -1.260 61.012 62.300 -0.048 0.000 0.990 1096 V CB 2.621 34.375 31.823 -0.115 0.000 1.039 1096 V HN 0.943 nan 8.190 nan 0.000 0.430 1097 S N 2.596 118.325 115.700 0.049 0.000 2.549 1097 S HA 0.053 4.519 4.470 -0.007 0.000 0.286 1097 S C 0.724 175.452 174.600 0.213 0.000 1.314 1097 S CA 0.190 58.467 58.200 0.128 0.000 1.062 1097 S CB 0.104 63.370 63.200 0.109 0.000 0.865 1097 S HN 0.809 nan 8.310 nan 0.000 0.498 1098 Y N 3.261 123.626 120.300 0.108 0.000 2.403 1098 Y HA -0.059 4.486 4.550 -0.007 0.000 0.291 1098 Y C 2.319 178.287 175.900 0.114 0.000 1.143 1098 Y CA 1.454 59.622 58.100 0.112 0.000 1.257 1098 Y CB -0.739 37.768 38.460 0.078 0.000 0.984 1098 Y HN 0.916 nan 8.280 nan 0.000 0.550 1099 A N -0.714 122.218 122.820 0.188 0.000 2.015 1099 A HA -0.193 4.122 4.320 -0.007 0.000 0.219 1099 A C 2.047 179.677 177.584 0.077 0.000 1.163 1099 A CA 1.421 53.526 52.037 0.114 0.000 0.646 1099 A CB -1.244 17.838 19.000 0.137 0.000 0.806 1099 A HN 0.614 nan 8.150 nan 0.000 0.448 1100 F N 0.355 120.289 119.950 -0.026 0.000 2.234 1100 F HA 0.002 4.525 4.527 -0.007 0.000 0.296 1100 F C 2.132 177.886 175.800 -0.077 0.000 1.089 1100 F CA 1.785 59.765 58.000 -0.032 0.000 1.343 1100 F CB -0.034 38.963 39.000 -0.006 0.000 1.040 1100 F HN 0.162 nan 8.300 nan 0.000 0.498 1101 K N 0.434 120.834 120.400 0.001 0.000 2.097 1101 K HA -0.175 4.141 4.320 -0.007 0.000 0.206 1101 K C 2.065 178.480 176.600 -0.307 0.000 1.049 1101 K CA 1.562 57.748 56.287 -0.167 0.000 0.933 1101 K CB -0.283 32.050 32.500 -0.279 0.000 0.717 1101 K HN 0.370 nan 8.250 nan 0.000 0.442 1102 L N 0.672 121.678 121.223 -0.361 0.000 1.988 1102 L HA -0.211 4.124 4.340 -0.007 0.000 0.207 1102 L C 2.481 179.235 176.870 -0.194 0.000 1.071 1102 L CA 0.753 55.442 54.840 -0.252 0.000 0.744 1102 L CB -0.485 41.479 42.059 -0.158 0.000 0.893 1102 L HN 0.241 nan 8.230 nan 0.000 0.433 1103 L N -0.023 121.074 121.223 -0.210 0.000 2.021 1103 L HA -0.291 4.045 4.340 -0.007 0.000 0.215 1103 L C 2.312 179.011 176.870 -0.285 0.000 1.074 1103 L CA 1.921 56.620 54.840 -0.235 0.000 0.760 1103 L CB -0.428 41.462 42.059 -0.282 0.000 0.889 1103 L HN 0.138 nan 8.230 nan 0.000 0.433 1104 I N -1.207 119.120 120.570 -0.406 0.000 2.315 1104 I HA -0.285 3.880 4.170 -0.007 0.000 0.248 1104 I C 2.462 178.476 176.117 -0.171 0.000 1.117 1104 I CA 1.317 62.426 61.300 -0.317 0.000 1.404 1104 I CB -0.172 37.616 38.000 -0.353 0.000 1.071 1104 I HN 0.483 nan 8.210 nan 0.000 0.419 1105 Q N 0.051 119.761 119.800 -0.150 0.000 2.187 1105 Q HA -0.173 4.162 4.340 -0.007 0.000 0.199 1105 Q C 1.944 177.888 176.000 -0.092 0.000 0.957 1105 Q CA 1.014 56.755 55.803 -0.102 0.000 0.857 1105 Q CB 0.114 28.803 28.738 -0.082 0.000 0.929 1105 Q HN 0.551 nan 8.270 nan 0.000 0.453 1106 E N 0.779 120.920 120.200 -0.099 0.000 2.031 1106 E HA -0.174 4.172 4.350 -0.007 0.000 0.193 1106 E C 2.099 178.654 176.600 -0.075 0.000 0.994 1106 E CA 0.834 57.189 56.400 -0.076 0.000 0.800 1106 E CB -0.119 29.539 29.700 -0.071 0.000 0.752 1106 E HN 0.240 nan 8.360 nan 0.000 0.447 1107 L N 0.386 121.554 121.223 -0.091 0.000 2.034 1107 L HA -0.301 4.034 4.340 -0.007 0.000 0.217 1107 L C 2.670 179.495 176.870 -0.075 0.000 1.077 1107 L CA 1.369 56.161 54.840 -0.080 0.000 0.769 1107 L CB -0.418 41.584 42.059 -0.095 0.000 0.890 1107 L HN 0.261 nan 8.230 nan 0.000 0.435 1108 M N -0.694 118.850 119.600 -0.094 0.000 2.117 1108 M HA -0.173 4.302 4.480 -0.007 0.000 0.262 1108 M C 2.553 178.800 176.300 -0.089 0.000 1.065 1108 M CA 2.090 57.321 55.300 -0.114 0.000 1.114 1108 M CB -0.262 32.243 32.600 -0.158 0.000 1.361 1108 M HN 0.419 nan 8.290 nan 0.000 0.408 1109 S N -0.175 115.484 115.700 -0.070 0.000 2.423 1109 S HA -0.141 4.325 4.470 -0.007 0.000 0.231 1109 S C 1.739 176.314 174.600 -0.042 0.000 1.014 1109 S CA 0.891 59.060 58.200 -0.051 0.000 0.965 1109 S CB -0.537 62.639 63.200 -0.040 0.000 0.785 1109 S HN 0.542 nan 8.310 nan 0.000 0.495 1110 M N 0.574 120.148 119.600 -0.044 0.000 2.618 1110 M HA 0.277 4.753 4.480 -0.007 0.000 0.240 1110 M C -0.611 175.669 176.300 -0.033 0.000 1.123 1110 M CA 0.379 55.658 55.300 -0.034 0.000 1.060 1110 M CB -0.374 32.206 32.600 -0.033 0.000 1.535 1110 M HN 0.243 nan 8.290 nan 0.000 0.507 1111 I N 0.132 120.677 120.570 -0.042 0.000 5.825 1111 I HA -0.253 3.913 4.170 -0.007 0.000 0.126 1111 I C -1.104 174.993 176.117 -0.032 0.000 1.817 1111 I CA 0.502 61.778 61.300 -0.039 0.000 2.037 1111 I CB -1.874 36.111 38.000 -0.026 0.000 3.397 1111 I HN 0.171 nan 8.210 nan 0.000 0.169 1112 I N 1.059 121.605 120.570 -0.040 0.000 2.436 1112 I HA 0.424 4.589 4.170 -0.007 0.000 0.289 1112 I C 0.518 176.621 176.117 -0.023 0.000 1.010 1112 I CA -0.550 60.736 61.300 -0.023 0.000 1.098 1112 I CB 1.929 39.916 38.000 -0.023 0.000 1.266 1112 I HN 0.271 nan 8.210 nan 0.000 0.434 1113 S N 7.047 122.761 115.700 0.024 0.000 2.411 1113 S HA 0.544 5.009 4.470 -0.007 0.000 0.294 1113 S C -2.410 172.275 174.600 0.143 0.000 1.115 1113 S CA -1.094 57.167 58.200 0.101 0.000 1.071 1113 S CB 0.554 63.862 63.200 0.181 0.000 0.967 1113 S HN 0.378 nan 8.310 nan 0.000 0.488 1114 P HA 0.368 nan 4.420 nan 0.000 0.247 1114 P C -0.926 176.516 177.300 0.237 0.000 1.683 1114 P CA -0.626 62.569 63.100 0.158 0.000 1.143 1114 P CB 0.389 32.131 31.700 0.070 0.000 1.577 1115 R N 3.553 124.139 120.500 0.144 0.000 2.248 1115 R HA 0.310 4.645 4.340 -0.007 0.000 0.337 1115 R C -0.038 176.281 176.300 0.032 0.000 1.106 1115 R CA -0.770 55.336 56.100 0.010 0.000 0.959 1115 R CB -0.086 30.183 30.300 -0.051 0.000 1.075 1115 R HN 0.364 nan 8.270 nan 0.000 0.480 1116 L N 3.631 124.885 121.223 0.052 0.000 2.416 1116 L HA 0.194 4.530 4.340 -0.007 0.000 0.272 1116 L C 0.611 177.498 176.870 0.028 0.000 1.161 1116 L CA 0.128 55.012 54.840 0.073 0.000 0.845 1116 L CB 0.296 42.425 42.059 0.117 0.000 1.119 1116 L HN 0.291 nan 8.230 nan 0.000 0.464 1117 I N 3.952 124.536 120.570 0.024 0.000 2.353 1117 I HA 0.241 4.407 4.170 -0.007 0.000 0.293 1117 I C 0.251 176.366 176.117 -0.003 0.000 0.992 1117 I CA -0.768 60.536 61.300 0.006 0.000 1.268 1117 I CB 1.230 39.230 38.000 0.001 0.000 1.387 1117 I HN 0.539 nan 8.210 nan 0.000 0.478 1118 L N 4.294 125.520 121.223 0.005 0.000 2.529 1118 L HA 0.320 4.655 4.340 -0.007 0.000 0.287 1118 L C -0.096 176.727 176.870 -0.078 0.000 1.241 1118 L CA 0.368 55.193 54.840 -0.024 0.000 0.857 1118 L CB 0.424 42.503 42.059 0.034 0.000 1.113 1118 L HN 0.751 nan 8.230 nan 0.000 0.504 1119 E N 0.758 120.867 120.200 -0.151 0.000 2.407 1119 E HA 0.290 4.635 4.350 -0.007 0.000 0.279 1119 E C -1.406 175.066 176.600 -0.212 0.000 1.012 1119 E CA -0.832 55.480 56.400 -0.146 0.000 0.800 1119 E CB 1.486 31.125 29.700 -0.102 0.000 1.276 1119 E HN 0.835 nan 8.360 nan 0.000 0.452 1120 D N 1.226 121.527 120.400 -0.165 0.000 2.364 1120 D HA 0.007 4.643 4.640 -0.007 0.000 0.236 1120 D C 1.086 177.290 176.300 -0.160 0.000 1.221 1120 D CA 0.128 54.029 54.000 -0.166 0.000 0.891 1120 D CB 0.569 41.305 40.800 -0.106 0.000 1.190 1120 D HN 0.326 nan 8.370 nan 0.000 0.449 1121 R N 0.219 120.631 120.500 -0.147 0.000 2.096 1121 R HA -0.099 4.236 4.340 -0.007 0.000 0.240 1121 R C 0.463 176.711 176.300 -0.087 0.000 1.139 1121 R CA 0.983 57.013 56.100 -0.116 0.000 0.952 1121 R CB -0.242 30.005 30.300 -0.088 0.000 0.854 1121 R HN 0.343 nan 8.270 nan 0.000 0.436 1122 V N 0.000 119.870 119.914 -0.073 0.000 2.409 1122 V HA 0.000 4.116 4.120 -0.007 0.000 0.244 1122 V CA 0.000 62.266 62.300 -0.057 0.000 1.235 1122 V CB 0.000 31.796 31.823 -0.046 0.000 1.184 1122 V HN 0.000 nan 8.190 nan 0.000 0.556