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 2ckj_1_B DATA FIRST_RESID 2 DATA SEQUENCE TADKLVFFVN GRKVVEKNAD PETTLLAYLR RKLGLSGTKL GCGEGGCGAC DATA SEQUENCE TVMLSKYDRL QNKIVHFSAN ACLAPICSLH HVAVTTVEGI GSTKTRLHPV DATA SEQUENCE QERIAKSHGS QCGFCTPGIV MSMYTLLRNQ PEPTMEEIEN AFQGNLCRCT DATA SEQUENCE GYRPILQGFR TFARXXXXXX XXXXXXXXXX XXXXXXXXXX XPSLFKPEEF DATA SEQUENCE TPLDPTQEPI FPPELLRLKD TPRKQLRFEG ERVTWIQAST LKELLDLKAQ DATA SEQUENCE HPDAKLVVGN TEIGIEMKFK NMLFPMIVCP AWIPELNSVE HGPDGISFGA DATA SEQUENCE ACPLSIVEKT LVDAVAKLPA QKTEVFRGVL EQLRWFAGKQ VKSVASVGGN DATA SEQUENCE IITASPISDL NPVFMASGAK LTLVSRGTRR TVQMDHTFFP GYRKTLLSPE DATA SEQUENCE EILLSIEIPY SREGEYFSAF KQASRREDDI AKVTSGMRVL FKPGTTEVQE DATA SEQUENCE LALCYGGMAN RTISALKTTQ RQLSKLWKEE LLQDVCAGLA EELHLPPDAP DATA SEQUENCE GGMVDFRcTL TLSFFFKFYL TVLQKLGQEN LEDKcGKLDP TFASATXXXX DATA SEQUENCE XXXXXDVQLF QEVPKGQSEE DMVGRPLPHL AADMQASGEA VYCDDIPRYE DATA SEQUENCE NELSLRLVTS TRAHAKIKSI DTSEAKKVPG FVCFISADDV PGSNITGICN DATA SEQUENCE DETVFAKDKV TCVGHIIGAV VADTPEHTQR AAQGVKITYE ELPAIITIED DATA SEQUENCE AIKNNSFYGP ELKIEKGDLK KGFSEADNVV SGEIYIGGQE HFYLETHCTI DATA SEQUENCE AVPKGEAGEM ELFVSTQNTM KTQSFVAKML GVPANRIVVR VKRMGGGFGG DATA SEQUENCE KETRSTVVST AVALAAYKTG RPVRCMLDRD EDMLITGGRH PFLARYKVGF DATA SEQUENCE MKTGTVVALE VDHFSNVGNT QDLSQSIMER ALFHMDNCYK IPNIRGTGRL DATA SEQUENCE CKTNLPSNTA FRGFGGPQGM LIAECWMSEV AVTCGMPAEE VRRKNLYKEG DATA SEQUENCE DLTHFNQKLE GFTLPRCWEE CLASSQYHAR KSEVDKFNKE NcWKKRGLCI DATA SEQUENCE IPTKFGISFT VPFLNQAGAL LHVYTDGSVL LTHGGTEMGQ GLHTKMVQVA DATA SEQUENCE SRALKIPTSK IYISETSTNT VPNTSPTAAS VSADLNGQAV YAACQTILKR DATA SEQUENCE LEPYKKKNPS GSWEDWVTAA YMDTVSLSAT GFYRTPNLGY SFETNSGNPF DATA SEQUENCE HYFSYGVACS EVEIDCLTGD HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV DATA SEQUENCE QGLGLFTLEE LHYSPEGSLH TRGPSTYKIP AFGSIPIEFR VSLLRDCPNK DATA SEQUENCE KAIYASKAVG EPPLFLAASI FFAIKDAIRA ARAQHTGNNV KELFRLDSPA DATA SEQUENCE TPEKIRNACV DKFTTLcVXX XXXXCKPWSV R 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.711 174.700 0.018 0.000 1.109 2 T CA 0.000 62.111 62.100 0.018 0.000 1.349 2 T CB 0.000 68.874 68.868 0.011 0.000 0.612 3 A N 3.909 126.728 122.820 -0.002 0.000 2.340 3 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 3 A C 1.297 178.859 177.584 -0.037 0.000 1.207 3 A CA 2.153 54.178 52.037 -0.019 0.000 0.684 3 A CB -1.556 17.426 19.000 -0.030 0.000 0.803 3 A HN 1.185 nan 8.150 nan 0.000 0.506 4 D N -1.109 119.297 120.400 0.011 0.000 3.554 4 D HA -0.331 4.309 4.640 -0.000 0.000 0.171 4 D C 0.443 176.896 176.300 0.254 0.000 1.156 4 D CA 1.454 55.595 54.000 0.235 0.000 0.846 4 D CB -0.775 40.109 40.800 0.140 0.000 0.477 4 D HN 0.435 nan 8.370 nan 0.000 0.457 5 K N 0.166 120.663 120.400 0.162 0.000 4.007 5 K HA -0.192 4.128 4.320 -0.000 0.000 0.279 5 K C -0.039 176.602 176.600 0.068 0.000 0.919 5 K CA 0.418 56.761 56.287 0.093 0.000 0.800 5 K CB -1.396 31.159 32.500 0.091 0.000 1.572 5 K HN 0.416 nan 8.250 nan 0.000 0.443 6 L N 0.317 121.523 121.223 -0.027 0.000 2.426 6 L HA 0.497 4.837 4.340 -0.000 0.000 0.271 6 L C -0.437 176.486 176.870 0.087 0.000 1.169 6 L CA -0.696 54.036 54.840 -0.179 0.000 0.836 6 L CB 0.827 42.575 42.059 -0.519 0.000 1.112 6 L HN 0.031 nan 8.230 nan 0.000 0.465 7 V N 5.980 126.130 119.914 0.394 0.000 2.525 7 V HA 0.586 4.706 4.120 -0.000 0.000 0.299 7 V C -0.364 176.099 176.094 0.614 0.000 1.034 7 V CA -0.342 62.226 62.300 0.447 0.000 0.863 7 V CB 1.133 33.270 31.823 0.524 0.000 0.999 7 V HN 0.871 nan 8.190 nan 0.000 0.423 8 F N 1.990 121.988 119.950 0.080 0.000 2.923 8 F HA 0.863 5.390 4.527 -0.000 0.000 0.323 8 F C -1.837 173.890 175.800 -0.121 0.000 1.189 8 F CA -1.388 56.688 58.000 0.127 0.000 0.930 8 F CB 1.705 40.768 39.000 0.106 0.000 1.414 8 F HN 0.234 nan 8.300 nan 0.000 0.496 9 F N 1.280 121.318 119.950 0.148 0.000 2.536 9 F HA 0.635 5.162 4.527 -0.000 0.000 0.322 9 F C -0.850 174.974 175.800 0.039 0.000 1.144 9 F CA -0.988 57.001 58.000 -0.020 0.000 0.924 9 F CB 2.299 41.263 39.000 -0.060 0.000 1.181 9 F HN 0.321 nan 8.300 nan 0.000 0.438 10 V N 4.558 124.515 119.914 0.071 0.000 2.326 10 V HA 0.307 4.427 4.120 -0.000 0.000 0.281 10 V C -0.344 175.789 176.094 0.066 0.000 1.015 10 V CA -0.875 61.483 62.300 0.096 0.000 0.823 10 V CB 0.941 32.808 31.823 0.072 0.000 1.009 10 V HN 0.843 nan 8.190 nan 0.000 0.436 11 N N 4.455 123.196 118.700 0.069 0.000 2.783 11 N HA -0.187 4.553 4.740 -0.000 0.000 0.247 11 N C 1.027 176.563 175.510 0.042 0.000 1.089 11 N CA 1.713 54.783 53.050 0.033 0.000 0.690 11 N CB -1.133 37.359 38.487 0.008 0.000 0.991 11 N HN 1.326 nan 8.380 nan 0.000 0.552 12 G N -1.380 107.466 108.800 0.076 0.000 2.399 12 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 12 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 12 G C 0.225 175.235 174.900 0.185 0.000 1.096 12 G CA 0.308 45.451 45.100 0.071 0.000 0.650 12 G HN 0.505 nan 8.290 nan 0.000 0.512 13 R N 1.111 121.688 120.500 0.129 0.000 2.500 13 R HA 0.537 4.877 4.340 -0.000 0.000 0.277 13 R C 0.393 176.593 176.300 -0.166 0.000 1.026 13 R CA -0.505 55.626 56.100 0.052 0.000 1.058 13 R CB 1.073 31.353 30.300 -0.033 0.000 1.078 13 R HN 0.289 nan 8.270 nan 0.000 0.509 14 K N 1.356 121.510 120.400 -0.410 0.000 2.154 14 K HA 0.277 4.597 4.320 -0.000 0.000 0.264 14 K C -1.108 175.076 176.600 -0.693 0.000 1.008 14 K CA -0.304 55.344 56.287 -1.064 0.000 0.937 14 K CB 1.052 33.147 32.500 -0.675 0.000 1.002 14 K HN 0.208 nan 8.250 nan 0.000 0.469 15 V N 3.748 123.201 119.914 -0.769 0.000 2.623 15 V HA 0.279 4.399 4.120 -0.000 0.000 0.304 15 V C -1.180 174.644 176.094 -0.450 0.000 1.054 15 V CA -0.865 61.089 62.300 -0.576 0.000 0.882 15 V CB 2.049 33.313 31.823 -0.933 0.000 1.002 15 V HN 0.545 nan 8.190 nan 0.000 0.424 16 V N 4.559 124.326 119.914 -0.245 0.000 2.349 16 V HA 0.530 4.650 4.120 -0.000 0.000 0.284 16 V C -0.567 175.486 176.094 -0.069 0.000 1.014 16 V CA -0.440 61.784 62.300 -0.127 0.000 0.826 16 V CB 1.861 33.639 31.823 -0.075 0.000 1.009 16 V HN 0.946 nan 8.190 nan 0.000 0.431 17 E N 4.227 124.397 120.200 -0.051 0.000 2.165 17 E HA 0.406 4.756 4.350 -0.000 0.000 0.266 17 E C 0.509 177.098 176.600 -0.018 0.000 0.889 17 E CA -0.402 55.987 56.400 -0.019 0.000 0.756 17 E CB 1.817 31.511 29.700 -0.011 0.000 1.131 17 E HN 0.433 nan 8.360 nan 0.000 0.411 18 K N 2.710 123.113 120.400 0.005 0.000 2.217 18 K HA 0.131 4.451 4.320 -0.000 0.000 0.202 18 K C 0.320 176.936 176.600 0.027 0.000 1.051 18 K CA 0.839 57.137 56.287 0.019 0.000 0.952 18 K CB 0.270 32.783 32.500 0.021 0.000 0.736 18 K HN 0.378 nan 8.250 nan 0.000 0.453 19 N N -0.506 118.198 118.700 0.007 0.000 2.471 19 N HA 0.136 4.876 4.740 -0.000 0.000 0.270 19 N C -1.475 174.026 175.510 -0.015 0.000 1.490 19 N CA -0.056 53.005 53.050 0.018 0.000 0.850 19 N CB 1.330 39.833 38.487 0.028 0.000 1.411 19 N HN 0.017 nan 8.380 nan 0.000 0.488 20 A N 0.600 123.356 122.820 -0.105 0.000 2.546 20 A HA 0.038 4.358 4.320 -0.000 0.000 0.243 20 A C 0.270 177.768 177.584 -0.143 0.000 1.063 20 A CA 0.410 52.328 52.037 -0.200 0.000 0.757 20 A CB 0.268 18.977 19.000 -0.485 0.000 0.991 20 A HN 0.145 nan 8.150 nan 0.000 0.503 21 D N 3.174 123.516 120.400 -0.097 0.000 2.295 21 D HA 0.286 4.926 4.640 -0.000 0.000 0.248 21 D C -1.670 174.566 176.300 -0.107 0.000 1.154 21 D CA -1.655 52.313 54.000 -0.053 0.000 0.857 21 D CB 1.419 42.212 40.800 -0.013 0.000 1.117 21 D HN 0.170 nan 8.370 nan 0.000 0.468 22 P HA -0.090 nan 4.420 nan 0.000 0.223 22 P C 0.572 177.812 177.300 -0.101 0.000 1.144 22 P CA 0.916 63.918 63.100 -0.162 0.000 0.783 22 P CB 0.318 32.038 31.700 0.032 0.000 0.771 23 E N -0.940 119.248 120.200 -0.020 0.000 2.418 23 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 23 E C 0.280 176.864 176.600 -0.026 0.000 1.026 23 E CA 0.588 56.991 56.400 0.004 0.000 0.862 23 E CB -0.411 29.317 29.700 0.047 0.000 0.799 23 E HN 0.350 nan 8.360 nan 0.000 0.518 24 T N 0.451 114.967 114.554 -0.063 0.000 2.723 24 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 24 T C 0.228 174.885 174.700 -0.071 0.000 0.925 24 T CA -0.733 61.345 62.100 -0.037 0.000 1.030 24 T CB 1.242 70.108 68.868 -0.004 0.000 0.905 24 T HN -0.090 nan 8.240 nan 0.000 0.502 25 T N 3.184 117.719 114.554 -0.032 0.000 2.900 25 T HA 0.122 4.472 4.350 -0.000 0.000 0.307 25 T C 1.253 175.942 174.700 -0.018 0.000 1.065 25 T CA -0.758 61.324 62.100 -0.029 0.000 1.105 25 T CB 0.403 69.283 68.868 0.020 0.000 0.979 25 T HN 0.555 nan 8.240 nan 0.000 0.544 26 L N 4.728 125.925 121.223 -0.042 0.000 1.955 26 L HA 0.158 4.498 4.340 -0.000 0.000 0.213 26 L C 1.155 178.060 176.870 0.058 0.000 1.072 26 L CA 1.587 56.412 54.840 -0.025 0.000 0.755 26 L CB -1.038 40.992 42.059 -0.049 0.000 0.888 26 L HN 0.794 nan 8.230 nan 0.000 0.432 27 L N 0.423 121.673 121.223 0.045 0.000 2.667 27 L HA 0.302 4.642 4.340 -0.000 0.000 0.278 27 L C 0.581 177.490 176.870 0.064 0.000 1.217 27 L CA 0.898 55.770 54.840 0.054 0.000 0.935 27 L CB -0.243 41.843 42.059 0.044 0.000 1.193 27 L HN 0.627 nan 8.230 nan 0.000 0.493 28 A N 4.065 126.925 122.820 0.067 0.000 2.882 28 A HA -0.263 4.057 4.320 -0.000 0.000 0.198 28 A C 1.211 178.839 177.584 0.072 0.000 1.158 28 A CA 0.581 52.651 52.037 0.054 0.000 1.403 28 A CB -1.965 17.068 19.000 0.054 0.000 1.073 28 A HN 0.812 nan 8.150 nan 0.000 0.564 29 Y N 1.191 121.488 120.300 -0.005 0.000 2.224 29 Y HA 0.041 4.591 4.550 -0.000 0.000 0.289 29 Y C 2.170 178.081 175.900 0.019 0.000 1.146 29 Y CA 2.515 60.623 58.100 0.012 0.000 1.182 29 Y CB -0.080 38.406 38.460 0.042 0.000 0.983 29 Y HN 0.451 nan 8.280 nan 0.000 0.524 30 L N -0.838 120.468 121.223 0.138 0.000 2.068 30 L HA -0.130 4.210 4.340 -0.000 0.000 0.204 30 L C 2.716 179.580 176.870 -0.009 0.000 1.076 30 L CA 1.086 55.978 54.840 0.087 0.000 0.753 30 L CB -0.367 41.750 42.059 0.096 0.000 0.910 30 L HN 0.096 nan 8.230 nan 0.000 0.439 31 R N 0.600 121.098 120.500 -0.003 0.000 2.075 31 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 31 R C 1.815 178.088 176.300 -0.045 0.000 1.114 31 R CA 1.185 57.275 56.100 -0.016 0.000 0.972 31 R CB 0.203 30.506 30.300 0.004 0.000 0.869 31 R HN 0.347 nan 8.270 nan 0.000 0.437 32 R N -0.727 119.735 120.500 -0.064 0.000 2.600 32 R HA 0.135 4.475 4.340 -0.000 0.000 0.392 32 R C 0.868 177.079 176.300 -0.149 0.000 1.032 32 R CA -0.100 55.949 56.100 -0.085 0.000 1.139 32 R CB 0.444 30.713 30.300 -0.051 0.000 1.400 32 R HN -0.165 nan 8.270 nan 0.000 0.566 33 K N 0.699 120.943 120.400 -0.259 0.000 2.367 33 K HA 0.261 4.581 4.320 -0.000 0.000 0.198 33 K C 0.896 177.282 176.600 -0.356 0.000 1.132 33 K CA 0.640 56.689 56.287 -0.395 0.000 0.941 33 K CB 0.449 32.503 32.500 -0.744 0.000 1.052 33 K HN 0.274 nan 8.250 nan 0.000 0.507 34 L N 0.130 121.165 121.223 -0.313 0.000 3.017 34 L HA 0.500 4.840 4.340 -0.000 0.000 0.255 34 L C 0.635 177.432 176.870 -0.121 0.000 1.247 34 L CA -0.274 54.451 54.840 -0.191 0.000 1.038 34 L CB 0.336 42.311 42.059 -0.140 0.000 1.380 34 L HN 0.169 nan 8.230 nan 0.000 0.548 35 G N 2.075 110.803 108.800 -0.120 0.000 2.318 35 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.272 35 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.272 35 G C 0.014 174.878 174.900 -0.060 0.000 0.845 35 G CA 0.403 45.453 45.100 -0.083 0.000 1.153 35 G HN 0.435 nan 8.290 nan 0.000 0.460 36 L N 1.637 122.832 121.223 -0.047 0.000 2.313 36 L HA 0.385 4.725 4.340 -0.000 0.000 0.273 36 L C 1.151 178.005 176.870 -0.026 0.000 1.028 36 L CA -0.586 54.234 54.840 -0.034 0.000 0.871 36 L CB 0.928 42.972 42.059 -0.026 0.000 1.242 36 L HN 0.378 nan 8.230 nan 0.000 0.434 37 S N 1.301 116.988 115.700 -0.023 0.000 2.587 37 S HA 0.429 4.899 4.470 -0.000 0.000 0.252 37 S C 1.408 175.996 174.600 -0.021 0.000 1.282 37 S CA 0.125 58.318 58.200 -0.012 0.000 0.977 37 S CB 0.421 63.626 63.200 0.009 0.000 1.015 37 S HN 0.991 nan 8.310 nan 0.000 0.557 38 G N -0.577 108.208 108.800 -0.025 0.000 2.196 38 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.268 38 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.268 38 G C 0.184 175.026 174.900 -0.097 0.000 0.975 38 G CA 0.575 45.638 45.100 -0.062 0.000 0.648 38 G HN 1.054 nan 8.290 nan 0.000 0.538 39 T N 2.968 117.478 114.554 -0.074 0.000 2.782 39 T HA 0.465 4.815 4.350 -0.000 0.000 0.298 39 T C 0.544 175.184 174.700 -0.100 0.000 0.944 39 T CA -0.148 61.905 62.100 -0.078 0.000 1.001 39 T CB 1.012 69.858 68.868 -0.036 0.000 0.932 39 T HN 0.304 nan 8.240 nan 0.000 0.524 40 K N 2.374 122.661 120.400 -0.188 0.000 2.109 40 K HA 0.537 4.857 4.320 -0.000 0.000 0.243 40 K C -0.212 176.349 176.600 -0.065 0.000 1.006 40 K CA -0.939 55.209 56.287 -0.233 0.000 0.917 40 K CB 1.688 33.739 32.500 -0.750 0.000 1.081 40 K HN 0.458 nan 8.250 nan 0.000 0.468 41 L N -1.117 120.143 121.223 0.062 0.000 2.305 41 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 41 L C 0.398 177.399 176.870 0.219 0.000 1.013 41 L CA 0.185 55.102 54.840 0.129 0.000 0.819 41 L CB 1.644 43.771 42.059 0.113 0.000 1.227 41 L HN 0.753 nan 8.230 nan 0.000 0.417 42 G N 2.063 110.993 108.800 0.217 0.000 2.759 42 G HA2 0.044 4.004 3.960 -0.000 0.000 0.197 42 G HA3 0.044 4.004 3.960 -0.000 0.000 0.197 42 G C 0.858 175.893 174.900 0.226 0.000 1.067 42 G CA 0.814 46.072 45.100 0.264 0.000 0.742 42 G HN 0.846 nan 8.290 nan 0.000 0.651 43 C N -2.585 116.850 119.300 0.225 0.000 2.485 43 C HA 0.633 5.093 4.460 -0.000 0.000 0.445 43 C C 2.238 177.371 174.990 0.238 0.000 1.404 43 C CA 0.892 60.048 59.018 0.229 0.000 2.577 43 C CB 0.566 28.461 27.740 0.258 0.000 2.780 43 C HN 1.362 nan 8.230 nan 0.000 0.574 44 G N 1.421 110.346 108.800 0.209 0.000 2.194 44 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.236 44 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.236 44 G C 0.582 175.610 174.900 0.213 0.000 0.987 44 G CA 0.688 45.926 45.100 0.229 0.000 0.635 44 G HN 0.829 nan 8.290 nan 0.000 0.520 45 E N 0.429 120.705 120.200 0.126 0.000 2.476 45 E HA 0.409 4.759 4.350 -0.000 0.000 0.196 45 E C 1.909 178.490 176.600 -0.031 0.000 1.029 45 E CA 0.677 57.023 56.400 -0.091 0.000 0.896 45 E CB -0.492 29.174 29.700 -0.058 0.000 1.012 45 E HN 1.468 nan 8.360 nan 0.000 0.475 46 G N 0.318 109.145 108.800 0.045 0.000 2.304 46 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.252 46 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.252 46 G C 0.790 175.745 174.900 0.091 0.000 1.014 46 G CA 0.088 45.225 45.100 0.062 0.000 0.619 46 G HN 0.518 nan 8.290 nan 0.000 0.525 47 G N -0.516 108.350 108.800 0.110 0.000 3.936 47 G HA2 0.431 4.391 3.960 -0.000 0.000 0.296 47 G HA3 0.431 4.391 3.960 -0.000 0.000 0.296 47 G C 0.984 175.975 174.900 0.152 0.000 1.121 47 G CA 1.238 46.411 45.100 0.121 0.000 0.899 47 G HN 1.631 nan 8.290 nan 0.000 0.542 48 C N -2.924 116.481 119.300 0.174 0.000 3.785 48 C HA 0.528 4.988 4.460 -0.000 0.000 0.312 48 C C 1.963 177.065 174.990 0.187 0.000 1.566 48 C CA 0.408 59.549 59.018 0.205 0.000 1.837 48 C CB -0.252 27.658 27.740 0.282 0.000 2.826 48 C HN 0.991 nan 8.230 nan 0.000 0.667 49 G N 1.668 110.561 108.800 0.154 0.000 2.352 49 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.295 49 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.295 49 G C 1.113 176.079 174.900 0.109 0.000 0.991 49 G CA 0.689 45.868 45.100 0.132 0.000 0.796 49 G HN 1.689 nan 8.290 nan 0.000 0.511 50 A N -0.895 121.987 122.820 0.104 0.000 2.235 50 A HA 0.318 4.638 4.320 -0.000 0.000 0.208 50 A C 2.091 179.666 177.584 -0.015 0.000 1.172 50 A CA 1.713 53.767 52.037 0.028 0.000 0.786 50 A CB -0.515 18.495 19.000 0.016 0.000 0.804 50 A HN 1.691 nan 8.150 nan 0.000 0.479 51 C N -2.387 116.931 119.300 0.030 0.000 2.863 51 C HA 0.442 4.901 4.460 -0.000 0.000 0.284 51 C C 0.555 175.561 174.990 0.026 0.000 1.426 51 C CA -0.531 58.500 59.018 0.022 0.000 1.782 51 C CB -1.734 26.037 27.740 0.052 0.000 2.554 51 C HN 0.227 nan 8.230 nan 0.000 0.566 52 T N 2.565 117.136 114.554 0.028 0.000 2.869 52 T HA 0.553 4.903 4.350 -0.000 0.000 0.295 52 T C 0.271 174.982 174.700 0.018 0.000 0.987 52 T CA 0.306 62.429 62.100 0.039 0.000 1.109 52 T CB 1.208 70.113 68.868 0.062 0.000 0.932 52 T HN 0.832 nan 8.240 nan 0.000 0.518 53 V N 1.274 121.197 119.914 0.016 0.000 3.167 53 V HA 0.669 4.789 4.120 -0.000 0.000 0.310 53 V C -0.677 175.410 176.094 -0.012 0.000 1.207 53 V CA -1.369 60.929 62.300 -0.003 0.000 1.059 53 V CB 2.320 34.140 31.823 -0.006 0.000 1.079 53 V HN 0.812 nan 8.190 nan 0.000 0.446 54 M N 2.607 122.196 119.600 -0.018 0.000 2.055 54 M HA 0.519 4.999 4.480 -0.000 0.000 0.347 54 M C -1.334 174.916 176.300 -0.083 0.000 1.123 54 M CA -0.608 54.672 55.300 -0.034 0.000 1.035 54 M CB 0.698 33.321 32.600 0.039 0.000 1.484 54 M HN 0.676 nan 8.290 nan 0.000 0.428 55 L N 4.179 125.245 121.223 -0.263 0.000 2.319 55 L HA 0.383 4.723 4.340 -0.000 0.000 0.280 55 L C -0.127 176.535 176.870 -0.347 0.000 1.099 55 L CA -0.324 54.303 54.840 -0.356 0.000 0.828 55 L CB 0.811 42.485 42.059 -0.643 0.000 1.150 55 L HN 0.661 nan 8.230 nan 0.000 0.442 56 S N 3.326 119.019 115.700 -0.012 0.000 2.536 56 S HA 0.782 5.252 4.470 -0.000 0.000 0.298 56 S C -0.705 174.028 174.600 0.222 0.000 1.083 56 S CA -1.040 57.215 58.200 0.090 0.000 0.995 56 S CB 2.433 65.844 63.200 0.352 0.000 1.058 56 S HN 0.672 nan 8.310 nan 0.000 0.488 57 K N 0.271 120.776 120.400 0.175 0.000 2.548 57 K HA 0.465 4.785 4.320 -0.000 0.000 0.282 57 K C -1.977 174.656 176.600 0.056 0.000 1.006 57 K CA -1.026 55.428 56.287 0.279 0.000 0.892 57 K CB 1.050 33.701 32.500 0.250 0.000 1.499 57 K HN 0.511 nan 8.250 nan 0.000 0.433 58 Y N 2.019 122.282 120.300 -0.061 0.000 2.327 58 Y HA 0.106 4.656 4.550 -0.000 0.000 0.336 58 Y C 0.801 176.627 175.900 -0.123 0.000 1.035 58 Y CA -0.482 57.477 58.100 -0.234 0.000 1.165 58 Y CB 1.283 39.630 38.460 -0.190 0.000 1.181 58 Y HN 0.873 nan 8.280 nan 0.000 0.494 59 D N 4.037 123.998 120.400 -0.731 0.000 2.149 59 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 59 D C 1.468 177.391 176.300 -0.630 0.000 0.972 59 D CA 1.671 55.352 54.000 -0.532 0.000 0.835 59 D CB 0.213 40.806 40.800 -0.343 0.000 0.966 59 D HN 0.925 nan 8.370 nan 0.000 0.476 60 R N -1.654 118.253 120.500 -0.989 0.000 1.345 60 R HA -0.217 4.123 4.340 -0.000 0.000 0.057 60 R C 1.945 178.087 176.300 -0.264 0.000 0.948 60 R CA 1.200 56.985 56.100 -0.525 0.000 1.970 60 R CB -1.642 28.473 30.300 -0.308 0.000 0.291 60 R HN 0.245 nan 8.270 nan 0.000 0.722 61 L N 1.524 122.614 121.223 -0.222 0.000 1.976 61 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 61 L C 1.157 177.950 176.870 -0.128 0.000 1.071 61 L CA 2.547 57.301 54.840 -0.142 0.000 0.746 61 L CB -0.561 41.430 42.059 -0.113 0.000 0.890 61 L HN 0.536 nan 8.230 nan 0.000 0.432 62 Q N -0.178 119.531 119.800 -0.152 0.000 2.201 62 Q HA 0.099 4.439 4.340 -0.000 0.000 0.236 62 Q C 0.163 176.084 176.000 -0.131 0.000 0.857 62 Q CA -0.245 55.489 55.803 -0.115 0.000 1.025 62 Q CB -0.335 28.346 28.738 -0.096 0.000 1.124 62 Q HN 0.424 nan 8.270 nan 0.000 0.473 63 N N 2.691 121.282 118.700 -0.182 0.000 2.913 63 N HA -0.238 4.502 4.740 -0.000 0.000 0.305 63 N C -0.927 174.546 175.510 -0.061 0.000 1.084 63 N CA 0.800 53.746 53.050 -0.173 0.000 0.811 63 N CB 0.070 38.557 38.487 -0.000 0.000 0.984 63 N HN 0.201 nan 8.380 nan 0.000 0.605 64 K N 2.699 123.010 120.400 -0.148 0.000 2.533 64 K HA 0.510 4.830 4.320 -0.000 0.000 0.284 64 K C -1.060 175.472 176.600 -0.112 0.000 1.025 64 K CA -0.688 55.544 56.287 -0.091 0.000 0.900 64 K CB 1.524 33.956 32.500 -0.113 0.000 1.519 64 K HN 0.334 nan 8.250 nan 0.000 0.432 65 I N 2.621 123.106 120.570 -0.141 0.000 2.382 65 I HA 0.233 4.403 4.170 -0.000 0.000 0.286 65 I C 0.084 176.017 176.117 -0.307 0.000 1.002 65 I CA -1.006 60.128 61.300 -0.277 0.000 1.135 65 I CB 1.786 39.547 38.000 -0.398 0.000 1.288 65 I HN 0.295 nan 8.210 nan 0.000 0.448 66 V N 3.658 123.402 119.914 -0.283 0.000 2.837 66 V HA 0.580 4.700 4.120 -0.000 0.000 0.310 66 V C -0.468 175.401 176.094 -0.375 0.000 1.059 66 V CA -0.411 61.761 62.300 -0.214 0.000 1.004 66 V CB 1.556 33.369 31.823 -0.016 0.000 1.045 66 V HN 0.564 nan 8.190 nan 0.000 0.465 67 H N 3.427 122.595 119.070 0.164 0.000 2.589 67 H HA 0.707 5.263 4.556 -0.000 0.000 0.351 67 H C -0.978 174.488 175.328 0.230 0.000 1.074 67 H CA -0.210 55.912 56.048 0.123 0.000 1.203 67 H CB 1.876 31.661 29.762 0.039 0.000 1.558 67 H HN 0.855 nan 8.280 nan 0.000 0.522 68 F N -0.718 119.310 119.950 0.131 0.000 2.668 68 F HA 0.578 5.105 4.527 -0.000 0.000 0.309 68 F C -0.374 175.462 175.800 0.060 0.000 1.117 68 F CA -1.187 56.850 58.000 0.062 0.000 0.951 68 F CB 0.971 39.985 39.000 0.024 0.000 1.323 68 F HN 0.335 nan 8.300 nan 0.000 0.451 69 S N 0.960 116.754 115.700 0.156 0.000 2.669 69 S HA 0.954 5.424 4.470 -0.000 0.000 0.270 69 S C -0.425 174.247 174.600 0.120 0.000 1.225 69 S CA -0.120 58.123 58.200 0.071 0.000 0.991 69 S CB 1.503 64.744 63.200 0.068 0.000 0.987 69 S HN 1.797 nan 8.310 nan 0.000 0.552 70 A N 1.046 123.912 122.820 0.076 0.000 2.581 70 A HA 0.488 4.808 4.320 -0.000 0.000 0.294 70 A C -1.442 176.184 177.584 0.070 0.000 1.035 70 A CA -1.193 50.907 52.037 0.105 0.000 0.684 70 A CB 0.489 19.567 19.000 0.129 0.000 1.282 70 A HN 0.890 nan 8.150 nan 0.000 0.417 71 N N 1.299 120.044 118.700 0.074 0.000 2.426 71 N HA 0.452 5.192 4.740 -0.000 0.000 0.275 71 N C 0.483 176.024 175.510 0.051 0.000 1.019 71 N CA 0.019 53.107 53.050 0.063 0.000 0.941 71 N CB 2.032 40.563 38.487 0.074 0.000 1.123 71 N HN 0.795 nan 8.380 nan 0.000 0.486 72 A N 0.992 123.837 122.820 0.041 0.000 2.278 72 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 72 A C 1.646 179.252 177.584 0.037 0.000 1.213 72 A CA -0.229 51.827 52.037 0.030 0.000 0.840 72 A CB -0.632 18.382 19.000 0.024 0.000 0.866 72 A HN 0.902 nan 8.150 nan 0.000 0.489 73 C N -2.957 116.375 119.300 0.053 0.000 2.754 73 C HA 0.635 5.095 4.460 -0.000 0.000 0.276 73 C C 1.175 176.208 174.990 0.072 0.000 1.264 73 C CA -0.051 59.008 59.018 0.068 0.000 1.700 73 C CB -1.281 26.513 27.740 0.090 0.000 1.885 73 C HN 0.454 nan 8.230 nan 0.000 0.607 74 L N -0.272 120.985 121.223 0.056 0.000 3.679 74 L HA 0.385 4.725 4.340 -0.000 0.000 0.342 74 L C 0.953 177.846 176.870 0.039 0.000 1.170 74 L CA 0.399 55.273 54.840 0.057 0.000 1.221 74 L CB 0.265 42.359 42.059 0.059 0.000 1.654 74 L HN 0.270 nan 8.230 nan 0.000 0.628 75 A N 2.777 125.610 122.820 0.022 0.000 2.260 75 A HA 0.594 4.914 4.320 -0.000 0.000 0.312 75 A C -2.417 175.129 177.584 -0.064 0.000 1.321 75 A CA -1.275 50.761 52.037 -0.002 0.000 0.928 75 A CB -0.057 18.947 19.000 0.006 0.000 1.158 75 A HN -0.091 nan 8.150 nan 0.000 0.542 76 P HA 0.079 nan 4.420 nan 0.000 0.272 76 P C 1.056 178.160 177.300 -0.327 0.000 1.223 76 P CA -0.276 62.703 63.100 -0.203 0.000 0.784 76 P CB 0.820 32.368 31.700 -0.252 0.000 0.923 77 I N 0.020 120.342 120.570 -0.414 0.000 2.546 77 I HA -0.137 4.033 4.170 -0.000 0.000 0.255 77 I C 1.546 177.277 176.117 -0.644 0.000 1.163 77 I CA 1.143 62.112 61.300 -0.552 0.000 1.457 77 I CB -0.937 36.684 38.000 -0.631 0.000 1.092 77 I HN 0.105 nan 8.210 nan 0.000 0.434 78 C N 2.212 121.025 119.300 -0.811 0.000 2.409 78 C HA -0.107 4.353 4.460 -0.000 0.000 0.284 78 C C 3.261 177.967 174.990 -0.473 0.000 1.354 78 C CA 1.282 59.750 59.018 -0.916 0.000 1.787 78 C CB -1.794 24.998 27.740 -1.580 0.000 1.900 78 C HN 0.775 nan 8.230 nan 0.000 0.520 79 S N 1.176 116.672 115.700 -0.339 0.000 2.406 79 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 79 S C 1.343 175.960 174.600 0.029 0.000 1.020 79 S CA 0.951 59.153 58.200 0.003 0.000 0.965 79 S CB -0.606 62.641 63.200 0.077 0.000 0.798 79 S HN 0.671 nan 8.310 nan 0.000 0.488 80 L N 1.537 122.692 121.223 -0.114 0.000 2.675 80 L HA 0.192 4.532 4.340 -0.000 0.000 0.239 80 L C 0.728 177.648 176.870 0.083 0.000 1.151 80 L CA -0.146 54.642 54.840 -0.086 0.000 0.905 80 L CB -0.985 40.842 42.059 -0.387 0.000 1.057 80 L HN 0.320 nan 8.230 nan 0.000 0.435 81 H N 0.802 119.922 119.070 0.084 0.000 3.217 81 H HA -0.085 4.471 4.556 -0.000 0.000 0.272 81 H C 0.431 175.991 175.328 0.386 0.000 0.929 81 H CA 0.640 56.830 56.048 0.236 0.000 1.425 81 H CB -0.118 29.818 29.762 0.290 0.000 1.505 81 H HN 0.178 nan 8.280 nan 0.000 0.542 82 H N 0.519 119.705 119.070 0.195 0.000 3.278 82 H HA -0.167 4.389 4.556 -0.000 0.000 0.208 82 H C -0.378 175.085 175.328 0.226 0.000 1.117 82 H CA 0.739 56.851 56.048 0.107 0.000 1.150 82 H CB -1.777 27.939 29.762 -0.078 0.000 1.146 82 H HN 0.294 nan 8.280 nan 0.000 0.316 83 V N -0.090 120.048 119.914 0.373 0.000 2.837 83 V HA 0.773 4.893 4.120 -0.000 0.000 0.310 83 V C 0.789 177.057 176.094 0.289 0.000 1.059 83 V CA -0.120 62.357 62.300 0.296 0.000 1.004 83 V CB 1.895 33.850 31.823 0.220 0.000 1.045 83 V HN 0.469 nan 8.190 nan 0.000 0.465 84 A N 3.209 126.153 122.820 0.207 0.000 2.304 84 A HA 0.754 5.074 4.320 -0.000 0.000 0.314 84 A C -0.797 176.865 177.584 0.131 0.000 1.187 84 A CA -0.494 51.636 52.037 0.155 0.000 0.810 84 A CB 1.132 20.094 19.000 -0.064 0.000 1.183 84 A HN 0.664 nan 8.150 nan 0.000 0.487 85 V N 2.628 122.638 119.914 0.160 0.000 2.407 85 V HA 0.521 4.641 4.120 -0.000 0.000 0.278 85 V C 0.336 176.473 176.094 0.072 0.000 1.037 85 V CA -0.310 62.053 62.300 0.105 0.000 0.900 85 V CB 0.963 32.869 31.823 0.138 0.000 0.983 85 V HN 0.884 nan 8.190 nan 0.000 0.459 86 T N 3.048 117.622 114.554 0.034 0.000 2.925 86 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 86 T C -0.030 174.652 174.700 -0.030 0.000 1.021 86 T CA -0.378 61.721 62.100 -0.002 0.000 1.042 86 T CB 2.019 70.877 68.868 -0.016 0.000 1.037 86 T HN 0.742 nan 8.240 nan 0.000 0.481 87 T N 0.252 114.769 114.554 -0.062 0.000 2.888 87 T HA 0.393 4.743 4.350 -0.000 0.000 0.288 87 T C 1.295 175.928 174.700 -0.112 0.000 1.063 87 T CA -0.503 61.560 62.100 -0.062 0.000 1.010 87 T CB 1.719 70.565 68.868 -0.036 0.000 1.214 87 T HN 0.333 nan 8.240 nan 0.000 0.533 88 V N 1.741 121.595 119.914 -0.099 0.000 2.287 88 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 88 V C 2.132 178.153 176.094 -0.122 0.000 1.053 88 V CA 2.532 64.758 62.300 -0.124 0.000 1.027 88 V CB -0.492 31.279 31.823 -0.087 0.000 0.646 88 V HN 0.945 nan 8.190 nan 0.000 0.447 89 E N -0.138 120.013 120.200 -0.082 0.000 2.461 89 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 89 E C 1.613 178.170 176.600 -0.073 0.000 1.129 89 E CA 0.796 57.157 56.400 -0.066 0.000 0.902 89 E CB -0.264 29.410 29.700 -0.043 0.000 0.963 89 E HN 0.636 nan 8.360 nan 0.000 0.503 90 G N 1.888 110.622 108.800 -0.110 0.000 2.656 90 G HA2 0.002 3.962 3.960 -0.000 0.000 0.211 90 G HA3 0.002 3.962 3.960 -0.000 0.000 0.211 90 G C 1.579 176.397 174.900 -0.136 0.000 1.137 90 G CA 0.240 45.275 45.100 -0.108 0.000 0.802 90 G HN 0.422 nan 8.290 nan 0.000 0.527 91 I N -2.568 117.877 120.570 -0.208 0.000 3.968 91 I HA 0.555 4.725 4.170 -0.000 0.000 0.328 91 I C 0.583 176.672 176.117 -0.046 0.000 1.290 91 I CA 0.283 61.440 61.300 -0.239 0.000 1.163 91 I CB 0.548 38.134 38.000 -0.690 0.000 1.024 91 I HN 0.103 nan 8.210 nan 0.000 0.413 92 G N 1.136 109.915 108.800 -0.035 0.000 2.322 92 G HA2 0.342 4.302 3.960 -0.000 0.000 0.289 92 G HA3 0.342 4.302 3.960 -0.000 0.000 0.289 92 G C -1.174 173.726 174.900 -0.001 0.000 1.687 92 G CA 0.005 45.114 45.100 0.016 0.000 0.944 92 G HN 0.489 nan 8.290 nan 0.000 0.718 93 S N -0.839 114.865 115.700 0.007 0.000 2.607 93 S HA 0.756 5.226 4.470 -0.000 0.000 0.273 93 S C 1.335 175.941 174.600 0.010 0.000 1.148 93 S CA 0.805 59.007 58.200 0.003 0.000 0.833 93 S CB 1.387 64.583 63.200 -0.006 0.000 1.130 93 S HN 1.987 nan 8.310 nan 0.000 0.470 94 T N -0.266 114.294 114.554 0.010 0.000 2.962 94 T HA 0.026 4.376 4.350 -0.000 0.000 0.270 94 T C 1.185 175.891 174.700 0.010 0.000 1.088 94 T CA 1.054 63.162 62.100 0.013 0.000 1.127 94 T CB -0.568 68.310 68.868 0.017 0.000 0.883 94 T HN 0.627 nan 8.240 nan 0.000 0.493 95 K N 1.362 121.765 120.400 0.004 0.000 2.555 95 K HA 0.080 4.400 4.320 -0.000 0.000 0.193 95 K C 1.820 178.421 176.600 0.002 0.000 1.032 95 K CA 1.153 57.441 56.287 0.000 0.000 1.004 95 K CB 0.082 32.579 32.500 -0.005 0.000 0.804 95 K HN 0.778 nan 8.250 nan 0.000 0.496 96 T N -3.844 110.713 114.554 0.005 0.000 3.471 96 T HA 0.286 4.636 4.350 -0.000 0.000 0.165 96 T C -0.227 174.480 174.700 0.011 0.000 0.879 96 T CA -0.738 61.366 62.100 0.007 0.000 0.931 96 T CB 0.578 69.448 68.868 0.005 0.000 1.172 96 T HN -0.227 nan 8.240 nan 0.000 0.290 97 R N 0.938 121.448 120.500 0.016 0.000 2.508 97 R HA 0.513 4.852 4.340 -0.000 0.000 0.283 97 R C -1.319 175.000 176.300 0.031 0.000 1.120 97 R CA -0.493 55.618 56.100 0.020 0.000 0.958 97 R CB 2.073 32.382 30.300 0.014 0.000 1.215 97 R HN 0.437 nan 8.270 nan 0.000 0.427 98 L N 3.233 124.477 121.223 0.035 0.000 2.485 98 L HA 0.093 4.433 4.340 -0.000 0.000 0.275 98 L C 1.005 177.935 176.870 0.100 0.000 1.207 98 L CA 0.080 54.954 54.840 0.057 0.000 0.855 98 L CB 0.129 42.216 42.059 0.046 0.000 1.114 98 L HN 0.384 nan 8.230 nan 0.000 0.485 99 H N 5.884 124.962 119.070 0.014 0.000 2.582 99 H HA 0.124 4.680 4.556 -0.000 0.000 0.345 99 H C -1.836 173.533 175.328 0.068 0.000 1.104 99 H CA -2.115 53.959 56.048 0.043 0.000 1.390 99 H CB 1.643 31.428 29.762 0.040 0.000 1.461 99 H HN 0.339 nan 8.280 nan 0.000 0.551 100 P HA -0.172 nan 4.420 nan 0.000 0.222 100 P C 1.477 179.038 177.300 0.435 0.000 1.142 100 P CA 0.679 63.920 63.100 0.236 0.000 0.788 100 P CB 0.312 32.108 31.700 0.160 0.000 0.767 101 V N 0.061 120.351 119.914 0.626 0.000 2.427 101 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 101 V C 2.845 179.089 176.094 0.251 0.000 1.051 101 V CA 1.738 64.239 62.300 0.335 0.000 1.048 101 V CB -1.239 30.613 31.823 0.050 0.000 0.666 101 V HN 0.126 nan 8.190 nan 0.000 0.456 102 Q N 0.092 120.003 119.800 0.185 0.000 2.079 102 Q HA -0.243 4.096 4.340 -0.000 0.000 0.200 102 Q C 2.301 178.343 176.000 0.070 0.000 0.974 102 Q CA 1.955 57.822 55.803 0.107 0.000 0.840 102 Q CB -0.060 28.722 28.738 0.074 0.000 0.898 102 Q HN 0.906 nan 8.270 nan 0.000 0.430 103 E N -0.144 120.084 120.200 0.047 0.000 2.230 103 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 103 E C 1.825 178.326 176.600 -0.166 0.000 0.987 103 E CA 0.418 56.792 56.400 -0.045 0.000 0.841 103 E CB 0.003 29.679 29.700 -0.040 0.000 0.783 103 E HN 0.115 nan 8.360 nan 0.000 0.481 104 R N 0.403 120.776 120.500 -0.211 0.000 2.075 104 R HA 0.072 4.412 4.340 -0.000 0.000 0.232 104 R C 2.437 178.600 176.300 -0.230 0.000 1.126 104 R CA 1.334 57.164 56.100 -0.449 0.000 0.963 104 R CB -0.326 29.737 30.300 -0.395 0.000 0.858 104 R HN 0.290 nan 8.270 nan 0.000 0.435 105 I N 0.418 120.977 120.570 -0.017 0.000 2.454 105 I HA -0.225 3.945 4.170 -0.000 0.000 0.254 105 I C 1.833 177.854 176.117 -0.160 0.000 1.156 105 I CA 1.196 62.442 61.300 -0.090 0.000 1.433 105 I CB -0.088 37.954 38.000 0.070 0.000 1.082 105 I HN 0.193 nan 8.210 nan 0.000 0.432 106 A N 0.044 122.782 122.820 -0.137 0.000 1.911 106 A HA -0.099 4.221 4.320 -0.000 0.000 0.212 106 A C 2.227 179.678 177.584 -0.221 0.000 1.189 106 A CA 0.685 52.640 52.037 -0.137 0.000 0.639 106 A CB -0.212 18.745 19.000 -0.072 0.000 0.839 106 A HN 0.267 nan 8.150 nan 0.000 0.449 107 K N 0.409 120.668 120.400 -0.234 0.000 2.418 107 K HA -0.010 4.310 4.320 -0.000 0.000 0.195 107 K C 1.466 177.759 176.600 -0.512 0.000 1.035 107 K CA 0.988 57.129 56.287 -0.244 0.000 1.003 107 K CB 0.082 32.571 32.500 -0.019 0.000 0.793 107 K HN 0.585 nan 8.250 nan 0.000 0.494 108 S N -0.542 114.789 115.700 -0.615 0.000 2.557 108 S HA 0.029 4.499 4.470 -0.000 0.000 0.223 108 S C -0.277 173.976 174.600 -0.578 0.000 0.969 108 S CA -0.471 57.105 58.200 -1.039 0.000 0.927 108 S CB -0.132 62.433 63.200 -1.058 0.000 0.806 108 S HN 0.294 nan 8.310 nan 0.000 0.489 109 H N -0.419 118.484 119.070 -0.279 0.000 3.004 109 H HA -0.121 4.435 4.556 -0.000 0.000 0.311 109 H C 0.743 175.980 175.328 -0.151 0.000 1.311 109 H CA 0.520 56.474 56.048 -0.157 0.000 1.182 109 H CB -1.731 27.960 29.762 -0.117 0.000 1.400 109 H HN 0.620 nan 8.280 nan 0.000 0.432 110 G N -0.330 108.394 108.800 -0.127 0.000 3.519 110 G HA2 0.258 4.218 3.960 -0.000 0.000 0.269 110 G HA3 0.258 4.218 3.960 -0.000 0.000 0.269 110 G C 0.154 175.001 174.900 -0.087 0.000 1.028 110 G CA 0.641 45.670 45.100 -0.118 0.000 0.809 110 G HN 0.289 nan 8.290 nan 0.000 0.521 111 S N -0.473 115.182 115.700 -0.075 0.000 2.707 111 S HA 0.509 4.979 4.470 -0.000 0.000 0.303 111 S C 0.309 174.858 174.600 -0.084 0.000 1.132 111 S CA -0.544 57.614 58.200 -0.070 0.000 1.046 111 S CB 1.879 65.034 63.200 -0.075 0.000 1.004 111 S HN 0.331 nan 8.310 nan 0.000 0.483 112 Q N 1.604 121.363 119.800 -0.068 0.000 2.263 112 Q HA 0.109 4.449 4.340 -0.000 0.000 0.218 112 Q C 2.433 178.360 176.000 -0.122 0.000 0.992 112 Q CA 0.913 56.675 55.803 -0.068 0.000 0.844 112 Q CB -0.592 28.142 28.738 -0.007 0.000 1.126 112 Q HN 0.940 nan 8.270 nan 0.000 0.547 113 C N -0.177 119.113 119.300 -0.016 0.000 2.385 113 C HA -0.018 4.442 4.460 -0.000 0.000 0.275 113 C C 1.811 176.883 174.990 0.137 0.000 1.207 113 C CA 1.307 60.356 59.018 0.051 0.000 1.760 113 C CB -1.402 26.390 27.740 0.086 0.000 2.051 113 C HN 0.894 nan 8.230 nan 0.000 0.467 114 G N -1.804 107.078 108.800 0.137 0.000 2.296 114 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.188 114 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.188 114 G C 0.494 175.505 174.900 0.185 0.000 1.000 114 G CA 0.489 45.682 45.100 0.156 0.000 0.672 114 G HN 0.545 nan 8.290 nan 0.000 0.483 115 F N 1.939 121.888 119.950 -0.001 0.000 2.293 115 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 115 F C 2.729 178.498 175.800 -0.052 0.000 1.089 115 F CA 1.958 59.880 58.000 -0.129 0.000 1.377 115 F CB -0.070 38.822 39.000 -0.180 0.000 1.051 115 F HN 0.501 nan 8.300 nan 0.000 0.511 116 C N -1.456 117.914 119.300 0.117 0.000 2.576 116 C HA 0.149 4.609 4.460 -0.000 0.000 0.267 116 C C 2.265 177.271 174.990 0.027 0.000 1.364 116 C CA 0.508 59.575 59.018 0.082 0.000 1.723 116 C CB -1.904 25.929 27.740 0.155 0.000 1.778 116 C HN 0.351 nan 8.230 nan 0.000 0.572 117 T N 2.606 117.153 114.554 -0.011 0.000 2.770 117 T HA 0.008 4.358 4.350 -0.000 0.000 0.258 117 T C -0.250 174.453 174.700 0.006 0.000 1.039 117 T CA 1.978 64.084 62.100 0.011 0.000 1.143 117 T CB -1.063 67.813 68.868 0.014 0.000 0.866 117 T HN 0.352 nan 8.240 nan 0.000 0.428 118 P HA -0.153 nan 4.420 nan 0.000 0.215 118 P C 1.683 178.980 177.300 -0.004 0.000 1.163 118 P CA 1.514 64.591 63.100 -0.039 0.000 0.894 118 P CB -0.511 31.135 31.700 -0.090 0.000 0.791 119 G N -0.050 108.746 108.800 -0.007 0.000 2.599 119 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 119 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 119 G C 1.501 176.464 174.900 0.105 0.000 1.193 119 G CA 1.178 46.306 45.100 0.046 0.000 0.778 119 G HN 0.247 nan 8.290 nan 0.000 0.589 120 I N 0.376 121.014 120.570 0.114 0.000 2.361 120 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 120 I C 2.741 178.992 176.117 0.223 0.000 1.133 120 I CA 0.478 61.866 61.300 0.146 0.000 1.413 120 I CB -0.322 37.706 38.000 0.046 0.000 1.073 120 I HN 0.060 nan 8.210 nan 0.000 0.424 121 V N 0.462 120.466 119.914 0.150 0.000 2.358 121 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 121 V C 2.474 178.626 176.094 0.096 0.000 1.047 121 V CA 1.438 63.814 62.300 0.127 0.000 1.035 121 V CB -0.354 31.503 31.823 0.056 0.000 0.658 121 V HN 0.359 nan 8.190 nan 0.000 0.452 122 M N -0.927 118.720 119.600 0.079 0.000 2.288 122 M HA -0.040 4.440 4.480 -0.000 0.000 0.266 122 M C 2.401 178.765 176.300 0.106 0.000 1.072 122 M CA 1.195 56.536 55.300 0.070 0.000 1.132 122 M CB -1.268 31.351 32.600 0.031 0.000 1.386 122 M HN 0.302 nan 8.290 nan 0.000 0.432 123 S N 0.652 116.443 115.700 0.152 0.000 2.356 123 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 123 S C 1.857 176.491 174.600 0.057 0.000 1.032 123 S CA 1.362 59.647 58.200 0.142 0.000 1.005 123 S CB -0.139 63.246 63.200 0.308 0.000 0.867 123 S HN 0.341 nan 8.310 nan 0.000 0.449 124 M N 0.600 120.291 119.600 0.152 0.000 2.084 124 M HA -0.130 4.350 4.480 -0.000 0.000 0.259 124 M C 1.695 177.877 176.300 -0.198 0.000 1.072 124 M CA 1.710 56.967 55.300 -0.072 0.000 1.107 124 M CB -1.160 31.346 32.600 -0.157 0.000 1.299 124 M HN 0.409 nan 8.290 nan 0.000 0.413 125 Y N 0.351 120.502 120.300 -0.247 0.000 2.181 125 Y HA -0.360 4.190 4.550 -0.000 0.000 0.279 125 Y C 1.913 177.670 175.900 -0.237 0.000 1.228 125 Y CA 2.643 60.571 58.100 -0.286 0.000 1.164 125 Y CB -0.852 37.448 38.460 -0.267 0.000 0.959 125 Y HN 0.400 nan 8.280 nan 0.000 0.521 126 T N -0.115 114.333 114.554 -0.176 0.000 3.067 126 T HA -0.028 4.322 4.350 -0.000 0.000 0.257 126 T C 1.631 176.191 174.700 -0.234 0.000 1.105 126 T CA 0.720 62.703 62.100 -0.194 0.000 1.104 126 T CB -0.213 68.629 68.868 -0.043 0.000 0.925 126 T HN 0.278 nan 8.240 nan 0.000 0.498 127 L N 0.968 122.040 121.223 -0.253 0.000 2.156 127 L HA 0.248 4.588 4.340 -0.000 0.000 0.208 127 L C 1.831 178.539 176.870 -0.270 0.000 1.095 127 L CA 1.534 56.231 54.840 -0.239 0.000 0.770 127 L CB -0.627 41.270 42.059 -0.270 0.000 0.914 127 L HN 0.194 nan 8.230 nan 0.000 0.439 128 L N -0.885 120.114 121.223 -0.374 0.000 2.240 128 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 128 L C 2.520 179.169 176.870 -0.367 0.000 1.106 128 L CA 0.623 55.224 54.840 -0.399 0.000 0.793 128 L CB -0.294 41.438 42.059 -0.545 0.000 0.927 128 L HN 0.201 nan 8.230 nan 0.000 0.446 129 R N -0.174 120.068 120.500 -0.430 0.000 2.240 129 R HA -0.006 4.334 4.340 -0.000 0.000 0.203 129 R C 1.713 177.887 176.300 -0.210 0.000 1.011 129 R CA 0.709 56.576 56.100 -0.388 0.000 1.007 129 R CB 0.022 29.986 30.300 -0.560 0.000 0.911 129 R HN 0.255 nan 8.270 nan 0.000 0.468 130 N N -0.904 117.702 118.700 -0.157 0.000 2.368 130 N HA 0.023 4.763 4.740 -0.000 0.000 0.178 130 N C -0.669 174.797 175.510 -0.073 0.000 1.076 130 N CA 0.374 53.383 53.050 -0.069 0.000 0.889 130 N CB 0.722 39.183 38.487 -0.043 0.000 1.040 130 N HN -0.006 nan 8.380 nan 0.000 0.463 131 Q N -0.274 119.462 119.800 -0.106 0.000 2.406 131 Q HA 0.323 4.663 4.340 -0.000 0.000 0.244 131 Q C -2.573 173.361 176.000 -0.109 0.000 0.884 131 Q CA -1.352 54.397 55.803 -0.089 0.000 0.813 131 Q CB 2.125 30.811 28.738 -0.086 0.000 1.368 131 Q HN -0.012 nan 8.270 nan 0.000 0.439 132 P HA 0.190 nan 4.420 nan 0.000 0.261 132 P C -0.664 176.592 177.300 -0.073 0.000 1.268 132 P CA 0.266 63.306 63.100 -0.100 0.000 0.833 132 P CB 0.531 32.188 31.700 -0.073 0.000 1.231 133 E N 0.752 120.925 120.200 -0.046 0.000 2.829 133 E HA 0.226 4.576 4.350 -0.000 0.000 0.350 133 E C -2.675 173.923 176.600 -0.003 0.000 1.119 133 E CA -1.411 54.990 56.400 0.001 0.000 0.764 133 E CB 1.356 31.066 29.700 0.016 0.000 1.576 133 E HN -0.007 nan 8.360 nan 0.000 0.379 134 P HA 0.276 nan 4.420 nan 0.000 0.297 134 P C -0.474 176.840 177.300 0.023 0.000 1.307 134 P CA -0.378 62.714 63.100 -0.014 0.000 0.773 134 P CB 1.132 32.805 31.700 -0.044 0.000 1.265 135 T N -3.316 111.247 114.554 0.014 0.000 2.888 135 T HA 0.278 4.628 4.350 -0.000 0.000 0.284 135 T C 1.409 176.135 174.700 0.042 0.000 1.017 135 T CA -0.841 61.278 62.100 0.031 0.000 1.022 135 T CB 0.758 69.636 68.868 0.017 0.000 1.013 135 T HN 0.150 nan 8.240 nan 0.000 0.465 136 M N 0.833 120.473 119.600 0.068 0.000 2.195 136 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 136 M C 2.044 178.384 176.300 0.068 0.000 1.066 136 M CA 1.782 57.137 55.300 0.092 0.000 1.089 136 M CB -0.937 31.727 32.600 0.106 0.000 1.377 136 M HN 1.004 nan 8.290 nan 0.000 0.411 137 E N -0.013 120.211 120.200 0.041 0.000 2.208 137 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 137 E C 1.364 177.949 176.600 -0.025 0.000 0.988 137 E CA 0.919 57.330 56.400 0.017 0.000 0.828 137 E CB 0.131 29.840 29.700 0.014 0.000 0.763 137 E HN 0.583 nan 8.360 nan 0.000 0.478 138 E N -0.019 120.157 120.200 -0.039 0.000 2.299 138 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 138 E C 1.851 178.363 176.600 -0.147 0.000 0.998 138 E CA 0.486 56.831 56.400 -0.091 0.000 0.851 138 E CB 0.168 29.816 29.700 -0.086 0.000 0.795 138 E HN 0.390 nan 8.360 nan 0.000 0.492 139 I N 0.706 121.218 120.570 -0.096 0.000 2.716 139 I HA -0.114 4.056 4.170 -0.000 0.000 0.259 139 I C 2.031 178.052 176.117 -0.160 0.000 1.172 139 I CA 0.443 61.660 61.300 -0.138 0.000 1.478 139 I CB 0.111 38.157 38.000 0.078 0.000 1.104 139 I HN -0.062 nan 8.210 nan 0.000 0.439 140 E N 1.224 121.397 120.200 -0.046 0.000 2.448 140 E HA -0.227 4.123 4.350 -0.000 0.000 0.203 140 E C 1.382 177.944 176.600 -0.063 0.000 1.046 140 E CA 1.054 57.465 56.400 0.018 0.000 0.871 140 E CB -0.114 29.607 29.700 0.035 0.000 0.790 140 E HN 0.428 nan 8.360 nan 0.000 0.545 141 N N -2.544 116.016 118.700 -0.233 0.000 1.850 141 N HA 0.100 4.840 4.740 -0.000 0.000 0.230 141 N C 0.681 176.004 175.510 -0.312 0.000 1.419 141 N CA 0.720 53.642 53.050 -0.213 0.000 0.762 141 N CB 0.159 38.545 38.487 -0.168 0.000 1.047 141 N HN 0.111 nan 8.380 nan 0.000 0.503 142 A N -0.097 122.367 122.820 -0.592 0.000 2.206 142 A HA 0.178 4.498 4.320 -0.000 0.000 0.211 142 A C 0.520 177.836 177.584 -0.447 0.000 1.158 142 A CA 0.621 52.277 52.037 -0.635 0.000 0.761 142 A CB -0.467 17.910 19.000 -1.039 0.000 0.801 142 A HN 0.181 nan 8.150 nan 0.000 0.473 143 F N -0.146 119.645 119.950 -0.265 0.000 2.639 143 F HA 0.186 4.713 4.527 -0.000 0.000 0.302 143 F C 1.912 177.580 175.800 -0.221 0.000 1.097 143 F CA -0.543 57.210 58.000 -0.412 0.000 1.294 143 F CB -0.425 37.922 39.000 -1.089 0.000 1.027 143 F HN 0.280 nan 8.300 nan 0.000 0.550 144 Q N 0.165 119.973 119.800 0.013 0.000 2.096 144 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 144 Q C 2.291 178.358 176.000 0.111 0.000 0.982 144 Q CA 1.529 57.372 55.803 0.067 0.000 0.850 144 Q CB -0.484 28.276 28.738 0.036 0.000 0.901 144 Q HN 0.484 nan 8.270 nan 0.000 0.422 145 G N -0.010 108.853 108.800 0.104 0.000 3.088 145 G HA2 0.001 3.961 3.960 -0.000 0.000 0.212 145 G HA3 0.001 3.961 3.960 -0.000 0.000 0.212 145 G C -0.211 174.786 174.900 0.161 0.000 1.173 145 G CA -0.214 44.959 45.100 0.123 0.000 0.779 145 G HN 0.170 nan 8.290 nan 0.000 0.540 146 N N -0.286 118.538 118.700 0.207 0.000 2.342 146 N HA 0.647 5.387 4.740 -0.000 0.000 0.293 146 N C -1.095 174.640 175.510 0.374 0.000 1.026 146 N CA -0.454 52.756 53.050 0.267 0.000 0.857 146 N CB 2.393 41.045 38.487 0.275 0.000 1.256 146 N HN -0.085 nan 8.380 nan 0.000 0.484 147 L N 1.424 122.850 121.223 0.339 0.000 2.381 147 L HA 0.604 4.944 4.340 -0.000 0.000 0.274 147 L C -0.943 176.111 176.870 0.307 0.000 0.988 147 L CA -0.922 54.134 54.840 0.360 0.000 0.824 147 L CB 1.728 43.903 42.059 0.193 0.000 1.263 147 L HN 0.550 nan 8.230 nan 0.000 0.410 148 C N 2.772 122.228 119.300 0.261 0.000 2.417 148 C HA 0.521 4.981 4.460 -0.000 0.000 0.324 148 C C 1.256 176.135 174.990 -0.185 0.000 1.240 148 C CA -0.484 58.527 59.018 -0.012 0.000 1.632 148 C CB 1.794 29.462 27.740 -0.121 0.000 2.241 148 C HN 1.021 nan 8.230 nan 0.000 0.499 149 R N 2.398 122.885 120.500 -0.022 0.000 2.189 149 R HA 0.172 4.512 4.340 -0.000 0.000 0.203 149 R C 1.668 178.007 176.300 0.066 0.000 1.012 149 R CA 1.667 57.779 56.100 0.020 0.000 1.015 149 R CB -0.613 29.754 30.300 0.112 0.000 0.938 149 R HN 0.868 nan 8.270 nan 0.000 0.472 150 C N -0.598 118.735 119.300 0.054 0.000 2.495 150 C HA 0.121 4.581 4.460 -0.000 0.000 0.275 150 C C 2.232 177.189 174.990 -0.055 0.000 1.392 150 C CA 1.036 60.083 59.018 0.048 0.000 1.766 150 C CB -0.320 27.440 27.740 0.033 0.000 1.933 150 C HN 0.710 nan 8.230 nan 0.000 0.519 151 T N -2.900 111.547 114.554 -0.179 0.000 3.010 151 T HA 0.302 4.652 4.350 -0.000 0.000 0.257 151 T C 1.558 176.139 174.700 -0.199 0.000 1.020 151 T CA 1.136 63.128 62.100 -0.181 0.000 0.938 151 T CB -0.129 68.626 68.868 -0.190 0.000 1.049 151 T HN 0.690 nan 8.240 nan 0.000 0.522 152 G N 0.939 109.553 108.800 -0.310 0.000 2.280 152 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.282 152 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.282 152 G C 0.605 175.440 174.900 -0.109 0.000 1.000 152 G CA 1.165 46.141 45.100 -0.207 0.000 0.751 152 G HN 0.787 nan 8.290 nan 0.000 0.515 153 Y N -3.391 116.803 120.300 -0.177 0.000 2.977 153 Y HA -0.359 4.191 4.550 -0.000 0.000 0.457 153 Y C 2.272 178.109 175.900 -0.104 0.000 1.381 153 Y CA 1.868 59.759 58.100 -0.348 0.000 2.219 153 Y CB -1.503 36.609 38.460 -0.580 0.000 0.937 153 Y HN 0.412 nan 8.280 nan 0.000 0.476 154 R N 1.681 122.254 120.500 0.121 0.000 2.082 154 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 154 R C -1.143 175.207 176.300 0.084 0.000 1.136 154 R CA 2.414 58.593 56.100 0.132 0.000 0.935 154 R CB -1.303 29.035 30.300 0.065 0.000 0.842 154 R HN 0.315 nan 8.270 nan 0.000 0.430 155 P HA -0.168 nan 4.420 nan 0.000 0.216 155 P C 1.642 178.906 177.300 -0.059 0.000 1.150 155 P CA 1.507 64.602 63.100 -0.008 0.000 0.843 155 P CB -0.261 31.408 31.700 -0.051 0.000 0.787 156 I N -1.061 119.470 120.570 -0.064 0.000 2.179 156 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 156 I C 2.581 178.611 176.117 -0.145 0.000 1.088 156 I CA 1.391 62.586 61.300 -0.175 0.000 1.357 156 I CB -0.718 37.271 38.000 -0.019 0.000 1.051 156 I HN -0.149 nan 8.210 nan 0.000 0.409 157 L N -0.227 121.078 121.223 0.136 0.000 2.217 157 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 157 L C 2.581 179.570 176.870 0.198 0.000 1.107 157 L CA 1.010 55.994 54.840 0.240 0.000 0.783 157 L CB -0.413 41.838 42.059 0.321 0.000 0.919 157 L HN 0.334 nan 8.230 nan 0.000 0.442 158 Q N -0.158 119.741 119.800 0.164 0.000 2.212 158 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 158 Q C 2.131 178.295 176.000 0.273 0.000 0.950 158 Q CA 1.013 56.952 55.803 0.227 0.000 0.863 158 Q CB -0.006 28.884 28.738 0.254 0.000 0.944 158 Q HN 0.493 nan 8.270 nan 0.000 0.465 159 G N 0.874 109.758 108.800 0.140 0.000 2.679 159 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 159 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 159 G C 0.812 175.836 174.900 0.207 0.000 1.267 159 G CA 0.995 46.131 45.100 0.060 0.000 0.799 159 G HN 0.368 nan 8.290 nan 0.000 0.606 160 F N 2.080 122.160 119.950 0.216 0.000 2.604 160 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 160 F C 2.570 178.529 175.800 0.266 0.000 1.131 160 F CA 0.472 58.639 58.000 0.279 0.000 1.457 160 F CB -0.673 38.584 39.000 0.428 0.000 1.095 160 F HN 0.279 nan 8.300 nan 0.000 0.574 161 R N 0.357 121.080 120.500 0.372 0.000 2.096 161 R HA -0.243 4.097 4.340 -0.000 0.000 0.240 161 R C 2.162 178.602 176.300 0.233 0.000 1.139 161 R CA 2.129 58.398 56.100 0.281 0.000 0.952 161 R CB -1.564 28.867 30.300 0.218 0.000 0.854 161 R HN 0.179 nan 8.270 nan 0.000 0.436 162 T N -0.493 114.178 114.554 0.194 0.000 2.873 162 T HA -0.258 4.092 4.350 -0.000 0.000 0.258 162 T C 1.033 175.761 174.700 0.047 0.000 1.024 162 T CA 2.074 64.236 62.100 0.102 0.000 1.165 162 T CB -0.428 68.514 68.868 0.123 0.000 0.827 162 T HN 0.489 nan 8.240 nan 0.000 0.495 163 F N 0.617 120.683 119.950 0.194 0.000 2.765 163 F HA 0.511 5.038 4.527 -0.000 0.000 0.302 163 F C 1.072 176.922 175.800 0.083 0.000 1.111 163 F CA -0.211 57.861 58.000 0.120 0.000 1.359 163 F CB 0.342 39.385 39.000 0.071 0.000 1.097 163 F HN 0.189 nan 8.300 nan 0.000 0.577 164 A N 0.985 123.958 122.820 0.254 0.000 2.363 164 A HA 0.802 5.122 4.320 -0.000 0.000 0.296 164 A C -0.200 177.457 177.584 0.122 0.000 1.237 164 A CA -0.403 51.742 52.037 0.179 0.000 0.773 164 A CB 0.689 19.796 19.000 0.179 0.000 1.153 164 A HN 0.289 nan 8.150 nan 0.000 0.473 194 S N 0.317 115.979 115.700 -0.063 0.000 2.580 194 S HA 0.218 4.688 4.470 -0.000 0.000 0.261 194 S C 1.339 176.121 174.600 0.303 0.000 1.366 194 S CA -0.016 58.264 58.200 0.133 0.000 0.996 194 S CB 0.486 63.690 63.200 0.007 0.000 0.902 194 S HN 0.252 nan 8.310 nan 0.000 0.566 195 L N 1.103 122.481 121.223 0.259 0.000 2.354 195 L HA 0.340 4.679 4.340 -0.000 0.000 0.212 195 L C -0.190 176.940 176.870 0.434 0.000 1.091 195 L CA 0.290 55.281 54.840 0.252 0.000 0.828 195 L CB 0.051 42.211 42.059 0.167 0.000 0.973 195 L HN 0.766 nan 8.230 nan 0.000 0.461 196 F N -2.489 117.538 119.950 0.127 0.000 2.688 196 F HA 0.434 4.961 4.527 -0.000 0.000 0.308 196 F C -1.263 174.523 175.800 -0.024 0.000 1.117 196 F CA -1.392 56.662 58.000 0.091 0.000 0.976 196 F CB 0.914 39.988 39.000 0.123 0.000 1.291 196 F HN -0.363 nan 8.300 nan 0.000 0.439 197 K N 2.888 123.329 120.400 0.069 0.000 2.299 197 K HA 0.312 4.632 4.320 -0.000 0.000 0.268 197 K C -2.570 173.803 176.600 -0.379 0.000 1.075 197 K CA -1.552 54.642 56.287 -0.154 0.000 0.936 197 K CB 1.815 34.269 32.500 -0.078 0.000 1.228 197 K HN 0.349 nan 8.250 nan 0.000 0.454 198 P HA -0.071 nan 4.420 nan 0.000 0.251 198 P C 0.691 177.506 177.300 -0.808 0.000 1.223 198 P CA 0.423 62.819 63.100 -1.172 0.000 0.796 198 P CB 0.279 31.606 31.700 -0.622 0.000 1.068 199 E N 1.030 120.992 120.200 -0.396 0.000 2.516 199 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 199 E C 1.259 177.787 176.600 -0.119 0.000 1.069 199 E CA 0.692 56.975 56.400 -0.195 0.000 0.876 199 E CB -0.417 29.209 29.700 -0.124 0.000 0.843 199 E HN 0.460 nan 8.360 nan 0.000 0.530 200 E N 0.782 120.894 120.200 -0.147 0.000 2.511 200 E HA 0.042 4.392 4.350 -0.000 0.000 0.209 200 E C -0.093 176.607 176.600 0.168 0.000 0.986 200 E CA -0.504 55.899 56.400 0.005 0.000 0.974 200 E CB -0.174 29.532 29.700 0.010 0.000 1.030 200 E HN 0.152 nan 8.360 nan 0.000 0.490 201 F N 3.554 123.526 119.950 0.037 0.000 2.612 201 F HA -0.048 4.479 4.527 -0.000 0.000 0.389 201 F C 1.132 176.945 175.800 0.022 0.000 1.055 201 F CA 0.249 58.266 58.000 0.027 0.000 1.232 201 F CB 0.514 39.519 39.000 0.007 0.000 1.044 201 F HN -0.031 nan 8.300 nan 0.000 0.560 202 T N 1.897 116.568 114.554 0.195 0.000 2.901 202 T HA 0.145 4.495 4.350 -0.000 0.000 0.301 202 T C -1.822 172.934 174.700 0.093 0.000 1.012 202 T CA -1.466 60.699 62.100 0.108 0.000 1.135 202 T CB 1.435 70.340 68.868 0.061 0.000 0.936 202 T HN 0.338 nan 8.240 nan 0.000 0.539 203 P HA 0.276 nan 4.420 nan 0.000 0.220 203 P C 0.234 177.594 177.300 0.100 0.000 1.154 203 P CA -0.146 63.012 63.100 0.096 0.000 0.837 203 P CB -0.041 31.704 31.700 0.075 0.000 0.815 204 L N -0.306 120.948 121.223 0.052 0.000 1.626 204 L HA -0.043 4.297 4.340 -0.000 0.000 0.563 204 L C -1.758 175.127 176.870 0.025 0.000 0.999 204 L CA -0.117 54.742 54.840 0.032 0.000 1.208 204 L CB -1.020 41.114 42.059 0.126 0.000 2.034 204 L HN -0.039 nan 8.230 nan 0.000 1.071 205 D N 7.284 127.676 120.400 -0.013 0.000 2.440 205 D HA 0.592 5.232 4.640 -0.000 0.000 0.252 205 D C -2.076 174.214 176.300 -0.017 0.000 1.180 205 D CA -1.750 52.246 54.000 -0.007 0.000 0.894 205 D CB 1.675 42.470 40.800 -0.008 0.000 1.111 205 D HN 0.325 nan 8.370 nan 0.000 0.544 206 P HA 0.026 nan 4.420 nan 0.000 0.245 206 P C 1.130 178.427 177.300 -0.005 0.000 1.212 206 P CA 0.528 63.618 63.100 -0.017 0.000 0.774 206 P CB 0.094 31.773 31.700 -0.035 0.000 0.999 207 T N -4.277 110.277 114.554 -0.000 0.000 3.118 207 T HA -0.025 4.325 4.350 -0.000 0.000 0.260 207 T C 1.578 176.286 174.700 0.013 0.000 1.139 207 T CA 0.726 62.830 62.100 0.006 0.000 1.085 207 T CB -0.388 68.484 68.868 0.006 0.000 0.934 207 T HN -0.113 nan 8.240 nan 0.000 0.518 208 Q N 0.499 120.307 119.800 0.013 0.000 2.247 208 Q HA 0.270 4.610 4.340 -0.000 0.000 0.211 208 Q C 0.175 176.200 176.000 0.041 0.000 0.861 208 Q CA -0.073 55.739 55.803 0.016 0.000 0.949 208 Q CB 0.380 29.116 28.738 -0.003 0.000 1.115 208 Q HN 0.563 nan 8.270 nan 0.000 0.507 209 E N 1.322 121.563 120.200 0.068 0.000 2.409 209 E HA 0.164 4.514 4.350 -0.000 0.000 0.257 209 E C -1.875 174.777 176.600 0.086 0.000 1.150 209 E CA -1.416 55.057 56.400 0.122 0.000 0.942 209 E CB -0.350 29.441 29.700 0.151 0.000 0.979 209 E HN 0.165 nan 8.360 nan 0.000 0.447 210 P HA 0.251 nan 4.420 nan 0.000 0.279 210 P C -0.176 177.162 177.300 0.063 0.000 1.252 210 P CA -0.547 62.587 63.100 0.056 0.000 0.811 210 P CB 0.876 32.600 31.700 0.039 0.000 1.035 211 I N 2.524 123.119 120.570 0.041 0.000 2.342 211 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 211 I C -0.484 175.667 176.117 0.056 0.000 1.010 211 I CA -0.966 60.368 61.300 0.056 0.000 1.308 211 I CB 0.045 38.061 38.000 0.027 0.000 1.400 211 I HN 0.254 nan 8.210 nan 0.000 0.488 212 F N 10.468 130.422 119.950 0.006 0.000 2.539 212 F HA 0.203 4.730 4.527 -0.000 0.000 0.393 212 F C -1.878 173.861 175.800 -0.103 0.000 1.032 212 F CA -1.014 56.974 58.000 -0.020 0.000 1.120 212 F CB -0.012 38.990 39.000 0.003 0.000 1.014 212 F HN 0.388 nan 8.300 nan 0.000 0.546 213 P HA 0.042 nan 4.420 nan 0.000 0.264 213 P C -2.126 174.902 177.300 -0.454 0.000 1.193 213 P CA -0.976 61.773 63.100 -0.586 0.000 0.763 213 P CB 0.314 31.463 31.700 -0.918 0.000 0.810 214 P HA -0.068 nan 4.420 nan 0.000 0.241 214 P C 1.036 178.238 177.300 -0.163 0.000 1.191 214 P CA 0.867 63.885 63.100 -0.137 0.000 0.771 214 P CB 0.310 31.963 31.700 -0.078 0.000 0.929 215 E N 0.249 120.300 120.200 -0.247 0.000 2.170 215 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 215 E C 0.839 177.293 176.600 -0.242 0.000 0.981 215 E CA 0.086 56.371 56.400 -0.192 0.000 0.830 215 E CB -0.258 29.392 29.700 -0.083 0.000 0.775 215 E HN 0.182 nan 8.360 nan 0.000 0.470 216 L N 0.841 121.819 121.223 -0.408 0.000 2.473 216 L HA -0.021 4.319 4.340 -0.000 0.000 0.265 216 L C 1.381 178.174 176.870 -0.128 0.000 1.243 216 L CA 0.120 54.806 54.840 -0.257 0.000 0.822 216 L CB 0.206 42.135 42.059 -0.217 0.000 1.101 216 L HN 0.322 nan 8.230 nan 0.000 0.507 217 L N -2.109 119.031 121.223 -0.138 0.000 2.756 217 L HA -0.291 4.049 4.340 -0.000 0.000 0.430 217 L C 2.052 178.816 176.870 -0.177 0.000 0.699 217 L CA 1.087 55.798 54.840 -0.216 0.000 3.148 217 L CB -0.818 41.169 42.059 -0.120 0.000 0.671 217 L HN 0.711 nan 8.230 nan 0.000 0.752 218 R N -0.152 120.270 120.500 -0.128 0.000 2.210 218 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 218 R C 1.675 177.926 176.300 -0.081 0.000 1.010 218 R CA 0.324 56.370 56.100 -0.091 0.000 1.008 218 R CB 0.290 30.550 30.300 -0.066 0.000 0.923 218 R HN 0.179 nan 8.270 nan 0.000 0.469 219 L N 1.259 122.415 121.223 -0.111 0.000 1.883 219 L HA -0.155 4.185 4.340 -0.000 0.000 0.221 219 L C 1.732 178.566 176.870 -0.060 0.000 1.122 219 L CA 2.044 56.828 54.840 -0.093 0.000 1.006 219 L CB -1.220 40.715 42.059 -0.206 0.000 0.960 219 L HN 0.173 nan 8.230 nan 0.000 0.533 220 K N -1.211 119.162 120.400 -0.046 0.000 3.362 220 K HA -0.316 4.004 4.320 -0.000 0.000 0.294 220 K C 0.805 177.419 176.600 0.024 0.000 1.140 220 K CA 2.165 58.451 56.287 -0.001 0.000 0.986 220 K CB -1.181 31.183 32.500 -0.227 0.000 1.374 220 K HN 0.515 nan 8.250 nan 0.000 0.405 221 D N 0.170 120.567 120.400 -0.005 0.000 2.799 221 D HA 0.015 4.655 4.640 -0.000 0.000 0.267 221 D C -0.147 176.160 176.300 0.012 0.000 1.468 221 D CA 1.054 55.055 54.000 0.002 0.000 1.077 221 D CB -0.542 40.251 40.800 -0.013 0.000 1.065 221 D HN 0.242 nan 8.370 nan 0.000 0.359 222 T N 4.478 119.041 114.554 0.015 0.000 2.444 222 T HA -0.047 4.303 4.350 -0.000 0.000 0.196 222 T C -2.136 172.587 174.700 0.037 0.000 1.197 222 T CA -0.170 61.948 62.100 0.030 0.000 3.853 222 T CB -0.975 67.917 68.868 0.040 0.000 0.600 222 T HN 0.147 nan 8.240 nan 0.000 0.213 223 P HA 0.335 nan 4.420 nan 0.000 0.284 223 P C 0.155 177.453 177.300 -0.004 0.000 1.258 223 P CA -1.022 62.079 63.100 0.001 0.000 0.824 223 P CB 0.889 32.588 31.700 -0.002 0.000 1.038 224 R N 1.317 121.783 120.500 -0.056 0.000 2.641 224 R HA 0.450 4.790 4.340 -0.000 0.000 0.269 224 R C 0.136 176.452 176.300 0.026 0.000 1.074 224 R CA -0.541 55.520 56.100 -0.065 0.000 1.133 224 R CB -0.091 30.033 30.300 -0.294 0.000 1.029 224 R HN 0.459 nan 8.270 nan 0.000 0.488 225 K N -0.322 120.135 120.400 0.096 0.000 2.400 225 K HA 0.163 4.483 4.320 -0.000 0.000 0.246 225 K C -0.825 175.876 176.600 0.168 0.000 0.995 225 K CA -1.164 55.187 56.287 0.106 0.000 0.840 225 K CB 1.142 33.685 32.500 0.073 0.000 1.293 225 K HN 0.643 nan 8.250 nan 0.000 0.445 226 Q N 1.665 121.540 119.800 0.125 0.000 2.432 226 Q HA 0.176 4.516 4.340 -0.000 0.000 0.264 226 Q C -1.015 175.015 176.000 0.049 0.000 1.035 226 Q CA -0.140 55.733 55.803 0.117 0.000 0.908 226 Q CB 0.463 29.228 28.738 0.044 0.000 1.280 226 Q HN 0.605 nan 8.270 nan 0.000 0.455 227 L N 2.095 123.302 121.223 -0.025 0.000 2.341 227 L HA 0.655 4.995 4.340 -0.000 0.000 0.267 227 L C -0.250 176.394 176.870 -0.376 0.000 1.009 227 L CA -0.986 53.724 54.840 -0.216 0.000 0.819 227 L CB 2.143 44.032 42.059 -0.284 0.000 1.323 227 L HN 0.756 nan 8.230 nan 0.000 0.425 228 R N 2.079 122.285 120.500 -0.490 0.000 2.514 228 R HA 0.536 4.876 4.340 -0.000 0.000 0.296 228 R C -1.988 174.026 176.300 -0.476 0.000 1.012 228 R CA -0.391 55.486 56.100 -0.372 0.000 0.897 228 R CB 1.447 31.645 30.300 -0.170 0.000 1.184 228 R HN 0.440 nan 8.270 nan 0.000 0.440 229 F N 1.683 121.682 119.950 0.082 0.000 2.458 229 F HA 0.438 4.965 4.527 -0.000 0.000 0.330 229 F C 0.313 176.138 175.800 0.041 0.000 1.082 229 F CA -0.830 57.184 58.000 0.023 0.000 0.995 229 F CB 2.062 41.035 39.000 -0.045 0.000 1.170 229 F HN 0.353 nan 8.300 nan 0.000 0.478 230 E N 0.474 120.799 120.200 0.208 0.000 2.199 230 E HA 0.453 4.803 4.350 -0.000 0.000 0.265 230 E C 0.034 176.694 176.600 0.101 0.000 0.882 230 E CA -0.475 56.004 56.400 0.130 0.000 0.759 230 E CB 1.954 31.706 29.700 0.086 0.000 1.148 230 E HN 0.787 nan 8.360 nan 0.000 0.412 231 G N 1.743 110.599 108.800 0.094 0.000 2.975 231 G HA2 0.032 3.992 3.960 -0.000 0.000 0.159 231 G HA3 0.032 3.992 3.960 -0.000 0.000 0.159 231 G C 0.443 175.385 174.900 0.069 0.000 1.525 231 G CA -0.045 45.099 45.100 0.074 0.000 1.075 231 G HN 0.575 nan 8.290 nan 0.000 0.574 232 E N -1.968 118.277 120.200 0.074 0.000 2.372 232 E HA 0.248 4.598 4.350 -0.000 0.000 0.201 232 E C 2.044 178.686 176.600 0.069 0.000 0.938 232 E CA -0.074 56.372 56.400 0.077 0.000 0.944 232 E CB 0.412 30.175 29.700 0.105 0.000 0.937 232 E HN 0.315 nan 8.360 nan 0.000 0.495 233 R N -1.101 119.444 120.500 0.074 0.000 2.851 233 R HA 0.219 4.559 4.340 -0.000 0.000 0.177 233 R C -0.574 175.774 176.300 0.081 0.000 0.888 233 R CA 0.202 56.345 56.100 0.072 0.000 1.326 233 R CB 1.648 31.996 30.300 0.080 0.000 1.668 233 R HN -0.116 nan 8.270 nan 0.000 0.575 234 V N 1.506 121.478 119.914 0.098 0.000 2.864 234 V HA 0.472 4.592 4.120 -0.000 0.000 0.314 234 V C -0.326 175.847 176.094 0.132 0.000 1.073 234 V CA -0.532 61.841 62.300 0.123 0.000 0.956 234 V CB 2.121 34.038 31.823 0.157 0.000 1.023 234 V HN 0.065 nan 8.190 nan 0.000 0.435 235 T N 3.322 117.956 114.554 0.134 0.000 2.812 235 T HA 0.394 4.744 4.350 -0.000 0.000 0.282 235 T C -1.154 173.660 174.700 0.189 0.000 0.990 235 T CA -0.258 61.926 62.100 0.139 0.000 0.960 235 T CB 1.230 70.134 68.868 0.059 0.000 0.948 235 T HN 0.719 nan 8.240 nan 0.000 0.438 236 W N 5.336 126.641 121.300 0.008 0.000 2.532 236 W HA 0.663 5.323 4.660 -0.000 0.000 0.321 236 W C -2.119 174.346 176.519 -0.091 0.000 1.037 236 W CA -1.256 56.085 57.345 -0.006 0.000 1.220 236 W CB 0.712 30.227 29.460 0.093 0.000 1.361 236 W HN 0.529 nan 8.180 nan 0.000 0.468 237 I N 5.172 125.565 120.570 -0.295 0.000 2.410 237 I HA 0.037 4.207 4.170 -0.000 0.000 0.286 237 I C -0.133 175.718 176.117 -0.444 0.000 1.009 237 I CA -0.618 60.517 61.300 -0.274 0.000 1.111 237 I CB 2.045 39.907 38.000 -0.230 0.000 1.262 237 I HN 0.292 nan 8.210 nan 0.000 0.443 238 Q N 5.690 125.313 119.800 -0.295 0.000 2.337 238 Q HA 0.595 4.935 4.340 -0.000 0.000 0.255 238 Q C -0.520 175.328 176.000 -0.254 0.000 0.997 238 Q CA -0.253 55.328 55.803 -0.369 0.000 0.925 238 Q CB 1.249 29.785 28.738 -0.337 0.000 1.212 238 Q HN 0.719 nan 8.270 nan 0.000 0.436 239 A N 2.873 125.567 122.820 -0.210 0.000 2.302 239 A HA 0.512 4.832 4.320 -0.000 0.000 0.285 239 A C 0.618 178.281 177.584 0.132 0.000 1.105 239 A CA 0.157 52.169 52.037 -0.041 0.000 0.816 239 A CB 0.876 19.837 19.000 -0.065 0.000 1.067 239 A HN 0.958 nan 8.150 nan 0.000 0.489 240 S N 0.018 115.829 115.700 0.185 0.000 2.741 240 S HA 0.135 4.605 4.470 -0.000 0.000 0.245 240 S C 0.932 175.618 174.600 0.144 0.000 1.083 240 S CA 0.931 59.299 58.200 0.279 0.000 0.873 240 S CB -0.492 62.872 63.200 0.273 0.000 0.814 240 S HN 1.328 nan 8.310 nan 0.000 0.476 241 T N 0.544 115.145 114.554 0.079 0.000 2.936 241 T HA 0.537 4.887 4.350 -0.000 0.000 0.282 241 T C 1.039 175.757 174.700 0.030 0.000 1.003 241 T CA -0.485 61.642 62.100 0.045 0.000 1.005 241 T CB 1.106 69.990 68.868 0.027 0.000 1.097 241 T HN 0.104 nan 8.240 nan 0.000 0.532 242 L N 2.107 123.339 121.223 0.016 0.000 1.989 242 L HA 0.095 4.435 4.340 -0.000 0.000 0.211 242 L C 2.662 179.530 176.870 -0.004 0.000 1.071 242 L CA 2.100 56.941 54.840 0.001 0.000 0.749 242 L CB -1.203 40.853 42.059 -0.006 0.000 0.890 242 L HN 0.913 nan 8.230 nan 0.000 0.431 243 K N -0.126 120.273 120.400 -0.001 0.000 2.052 243 K HA -0.271 4.049 4.320 -0.000 0.000 0.215 243 K C 1.799 178.397 176.600 -0.003 0.000 1.053 243 K CA 2.411 58.696 56.287 -0.003 0.000 0.934 243 K CB -0.243 32.257 32.500 -0.001 0.000 0.717 243 K HN 0.707 nan 8.250 nan 0.000 0.450 244 E N 0.469 120.670 120.200 0.002 0.000 2.338 244 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 244 E C 2.096 178.687 176.600 -0.015 0.000 1.007 244 E CA 0.624 57.023 56.400 -0.003 0.000 0.849 244 E CB -0.203 29.499 29.700 0.003 0.000 0.774 244 E HN 0.258 nan 8.360 nan 0.000 0.506 245 L N 1.152 122.364 121.223 -0.020 0.000 2.007 245 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 245 L C 2.215 179.067 176.870 -0.030 0.000 1.073 245 L CA 1.431 56.249 54.840 -0.037 0.000 0.744 245 L CB -0.348 41.686 42.059 -0.041 0.000 0.898 245 L HN 0.076 nan 8.230 nan 0.000 0.435 246 L N -0.128 121.082 121.223 -0.022 0.000 2.129 246 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 246 L C 2.130 178.992 176.870 -0.012 0.000 1.087 246 L CA 1.399 56.228 54.840 -0.019 0.000 0.757 246 L CB -0.728 41.320 42.059 -0.018 0.000 0.896 246 L HN 0.364 nan 8.230 nan 0.000 0.434 247 D N -0.855 119.541 120.400 -0.007 0.000 2.162 247 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 247 D C 1.940 178.248 176.300 0.014 0.000 0.967 247 D CA 0.595 54.595 54.000 0.001 0.000 0.840 247 D CB 0.004 40.806 40.800 0.003 0.000 0.972 247 D HN 0.071 nan 8.370 nan 0.000 0.482 248 L N 1.257 122.486 121.223 0.010 0.000 1.976 248 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 248 L C 1.772 178.672 176.870 0.051 0.000 1.071 248 L CA 1.881 56.738 54.840 0.028 0.000 0.746 248 L CB -0.899 41.148 42.059 -0.020 0.000 0.890 248 L HN -0.194 nan 8.230 nan 0.000 0.432 249 K N 0.068 120.475 120.400 0.011 0.000 2.152 249 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 249 K C 2.042 178.650 176.600 0.013 0.000 1.048 249 K CA 1.293 57.587 56.287 0.011 0.000 0.933 249 K CB -0.458 32.032 32.500 -0.017 0.000 0.721 249 K HN 0.522 nan 8.250 nan 0.000 0.447 250 A N 1.620 124.441 122.820 0.002 0.000 1.902 250 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 250 A C 1.976 179.544 177.584 -0.026 0.000 1.181 250 A CA 1.855 53.885 52.037 -0.012 0.000 0.623 250 A CB -0.443 18.549 19.000 -0.014 0.000 0.818 250 A HN 0.565 nan 8.150 nan 0.000 0.443 251 Q N -1.917 117.873 119.800 -0.016 0.000 2.403 251 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 251 Q C -0.463 175.383 176.000 -0.257 0.000 0.932 251 Q CA 0.529 56.268 55.803 -0.107 0.000 0.945 251 Q CB 0.063 28.745 28.738 -0.093 0.000 1.045 251 Q HN 0.715 nan 8.270 nan 0.000 0.511 252 H N 0.229 119.286 119.070 -0.021 0.000 2.596 252 H HA 0.210 4.766 4.556 -0.000 0.000 0.240 252 H C -2.383 172.934 175.328 -0.018 0.000 1.406 252 H CA -1.440 54.597 56.048 -0.017 0.000 1.504 252 H CB 1.931 31.681 29.762 -0.019 0.000 1.688 252 H HN 0.183 nan 8.280 nan 0.000 0.546 253 P HA -0.046 nan 4.420 nan 0.000 0.237 253 P C 0.943 178.261 177.300 0.031 0.000 1.178 253 P CA 0.762 63.876 63.100 0.024 0.000 0.766 253 P CB 0.378 32.075 31.700 -0.004 0.000 0.876 254 D N -1.419 119.014 120.400 0.055 0.000 2.395 254 D HA 0.137 4.777 4.640 -0.000 0.000 0.213 254 D C 0.446 176.795 176.300 0.083 0.000 1.110 254 D CA -0.322 53.717 54.000 0.064 0.000 0.835 254 D CB -0.191 40.647 40.800 0.063 0.000 0.965 254 D HN -0.044 nan 8.370 nan 0.000 0.505 255 A N 0.771 123.628 122.820 0.062 0.000 2.440 255 A HA 0.366 4.686 4.320 -0.000 0.000 0.251 255 A C 0.102 177.680 177.584 -0.009 0.000 1.089 255 A CA -0.313 51.739 52.037 0.025 0.000 0.779 255 A CB 0.633 19.631 19.000 -0.002 0.000 1.022 255 A HN 0.048 nan 8.150 nan 0.000 0.492 256 K N 2.835 123.214 120.400 -0.036 0.000 2.265 256 K HA 0.504 4.824 4.320 -0.000 0.000 0.267 256 K C -0.808 175.685 176.600 -0.178 0.000 0.994 256 K CA -0.269 55.959 56.287 -0.098 0.000 0.860 256 K CB 0.597 33.012 32.500 -0.142 0.000 1.099 256 K HN 0.619 nan 8.250 nan 0.000 0.448 257 L N 4.587 125.707 121.223 -0.171 0.000 2.367 257 L HA 0.340 4.680 4.340 -0.000 0.000 0.275 257 L C -0.486 176.256 176.870 -0.213 0.000 1.129 257 L CA -0.752 53.970 54.840 -0.197 0.000 0.839 257 L CB 1.094 43.065 42.059 -0.146 0.000 1.133 257 L HN 0.372 nan 8.230 nan 0.000 0.453 258 V N 4.780 124.543 119.914 -0.252 0.000 2.531 258 V HA 0.300 4.420 4.120 -0.000 0.000 0.301 258 V C 0.467 176.473 176.094 -0.146 0.000 1.034 258 V CA -0.334 61.853 62.300 -0.188 0.000 0.865 258 V CB 2.176 33.896 31.823 -0.171 0.000 0.995 258 V HN 0.631 nan 8.190 nan 0.000 0.424 259 V N 3.669 123.537 119.914 -0.077 0.000 3.405 259 V HA 0.258 4.378 4.120 -0.000 0.000 0.211 259 V C 2.082 178.182 176.094 0.010 0.000 1.151 259 V CA 1.344 63.617 62.300 -0.045 0.000 1.323 259 V CB -0.284 31.508 31.823 -0.052 0.000 1.357 259 V HN 0.853 nan 8.190 nan 0.000 0.506 260 G N -0.438 108.365 108.800 0.004 0.000 2.551 260 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 260 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 260 G C 0.829 175.754 174.900 0.041 0.000 1.137 260 G CA 0.935 46.050 45.100 0.025 0.000 0.798 260 G HN 0.719 nan 8.290 nan 0.000 0.536 261 N N -0.496 118.223 118.700 0.032 0.000 2.778 261 N HA -0.250 4.489 4.740 -0.000 0.000 0.249 261 N C 1.369 176.901 175.510 0.036 0.000 1.069 261 N CA 1.895 54.969 53.050 0.039 0.000 0.831 261 N CB -1.826 36.708 38.487 0.079 0.000 1.142 261 N HN 0.352 nan 8.380 nan 0.000 0.573 262 T N -3.917 110.657 114.554 0.033 0.000 3.155 262 T HA 0.022 4.372 4.350 -0.000 0.000 0.264 262 T C 1.187 175.899 174.700 0.020 0.000 1.160 262 T CA 1.336 63.456 62.100 0.035 0.000 1.075 262 T CB 0.231 69.129 68.868 0.050 0.000 0.921 262 T HN 0.407 nan 8.240 nan 0.000 0.533 263 E N 0.676 120.883 120.200 0.011 0.000 2.756 263 E HA 0.250 4.600 4.350 -0.000 0.000 0.192 263 E C 1.916 178.519 176.600 0.005 0.000 1.022 263 E CA -0.258 56.144 56.400 0.003 0.000 1.224 263 E CB -0.362 29.333 29.700 -0.008 0.000 1.252 263 E HN 0.224 nan 8.360 nan 0.000 0.494 264 I N 1.666 122.221 120.570 -0.024 0.000 2.185 264 I HA -0.220 3.950 4.170 -0.000 0.000 0.246 264 I C 2.313 178.461 176.117 0.052 0.000 1.088 264 I CA 1.871 63.147 61.300 -0.040 0.000 1.347 264 I CB -1.715 36.209 38.000 -0.127 0.000 1.041 264 I HN 0.312 nan 8.210 nan 0.000 0.415 265 G N 1.715 110.548 108.800 0.056 0.000 2.513 265 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 265 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 265 G C 1.612 176.579 174.900 0.112 0.000 1.160 265 G CA 0.682 45.835 45.100 0.087 0.000 0.767 265 G HN 0.216 nan 8.290 nan 0.000 0.571 266 I N 1.204 121.805 120.570 0.052 0.000 2.163 266 I HA -0.080 4.090 4.170 -0.000 0.000 0.240 266 I C 2.670 178.876 176.117 0.149 0.000 1.081 266 I CA 0.998 62.298 61.300 -0.001 0.000 1.353 266 I CB -1.483 36.455 38.000 -0.103 0.000 1.054 266 I HN 0.367 nan 8.210 nan 0.000 0.407 267 E N 0.452 120.742 120.200 0.151 0.000 2.070 267 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 267 E C 2.244 179.009 176.600 0.275 0.000 1.004 267 E CA 1.464 57.997 56.400 0.222 0.000 0.805 267 E CB -0.253 29.592 29.700 0.242 0.000 0.744 267 E HN 0.458 nan 8.360 nan 0.000 0.451 268 M N 0.262 120.030 119.600 0.279 0.000 2.319 268 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 268 M C 2.324 178.769 176.300 0.241 0.000 1.068 268 M CA 1.068 56.529 55.300 0.269 0.000 1.118 268 M CB -0.079 32.675 32.600 0.257 0.000 1.395 268 M HN -0.052 nan 8.290 nan 0.000 0.435 269 K N -0.379 120.211 120.400 0.317 0.000 2.262 269 K HA -0.006 4.314 4.320 -0.000 0.000 0.200 269 K C 1.081 177.832 176.600 0.251 0.000 1.049 269 K CA 0.911 57.400 56.287 0.336 0.000 0.979 269 K CB 0.415 33.204 32.500 0.483 0.000 0.773 269 K HN 0.094 nan 8.250 nan 0.000 0.474 270 F N 0.490 120.500 119.950 0.100 0.000 2.619 270 F HA 0.264 4.791 4.527 -0.000 0.000 0.281 270 F C 0.306 176.164 175.800 0.098 0.000 1.065 270 F CA 0.075 58.133 58.000 0.097 0.000 1.304 270 F CB 0.701 39.761 39.000 0.099 0.000 1.059 270 F HN -0.278 nan 8.300 nan 0.000 0.648 271 K N 1.331 121.906 120.400 0.291 0.000 3.016 271 K HA 0.165 4.485 4.320 -0.000 0.000 0.226 271 K C -0.322 176.361 176.600 0.138 0.000 1.245 271 K CA -0.212 56.192 56.287 0.194 0.000 1.174 271 K CB -0.546 32.072 32.500 0.196 0.000 1.572 271 K HN 0.097 nan 8.250 nan 0.000 0.462 272 N N 2.565 121.332 118.700 0.111 0.000 2.705 272 N HA -0.175 4.565 4.740 -0.000 0.000 0.278 272 N C -0.247 175.299 175.510 0.061 0.000 1.190 272 N CA 0.954 54.056 53.050 0.087 0.000 1.052 272 N CB -0.105 38.416 38.487 0.058 0.000 1.183 272 N HN 0.384 nan 8.380 nan 0.000 0.567 273 M N 0.882 120.526 119.600 0.074 0.000 2.291 273 M HA 0.353 4.833 4.480 -0.000 0.000 0.324 273 M C -0.016 176.252 176.300 -0.052 0.000 1.148 273 M CA -0.500 54.782 55.300 -0.030 0.000 1.104 273 M CB 1.461 34.042 32.600 -0.031 0.000 1.483 273 M HN 0.072 nan 8.290 nan 0.000 0.467 274 L N 2.384 123.457 121.223 -0.251 0.000 2.541 274 L HA 0.525 4.865 4.340 -0.000 0.000 0.266 274 L C -2.127 174.563 176.870 -0.301 0.000 0.966 274 L CA -0.020 54.740 54.840 -0.133 0.000 0.871 274 L CB 0.997 43.035 42.059 -0.036 0.000 1.232 274 L HN 0.437 nan 8.230 nan 0.000 0.408 275 F N 6.467 126.450 119.950 0.055 0.000 2.404 275 F HA 0.644 5.171 4.527 -0.000 0.000 0.354 275 F C -1.530 174.298 175.800 0.047 0.000 1.122 275 F CA -1.538 56.488 58.000 0.043 0.000 1.080 275 F CB 1.107 40.131 39.000 0.040 0.000 1.131 275 F HN 0.427 nan 8.300 nan 0.000 0.471 276 P HA 0.112 nan 4.420 nan 0.000 0.252 276 P C -0.088 177.273 177.300 0.101 0.000 1.211 276 P CA 0.525 63.692 63.100 0.111 0.000 0.824 276 P CB 0.996 32.733 31.700 0.062 0.000 1.077 277 M N 0.773 120.432 119.600 0.098 0.000 2.197 277 M HA 0.413 4.893 4.480 -0.000 0.000 0.301 277 M C -1.538 174.772 176.300 0.018 0.000 0.987 277 M CA -0.798 54.527 55.300 0.042 0.000 0.921 277 M CB 1.718 34.306 32.600 -0.021 0.000 1.569 277 M HN -0.277 nan 8.290 nan 0.000 0.431 278 I N 4.170 124.728 120.570 -0.021 0.000 2.530 278 I HA 0.607 4.777 4.170 -0.000 0.000 0.297 278 I C -0.924 174.970 176.117 -0.370 0.000 1.011 278 I CA -1.013 60.195 61.300 -0.153 0.000 1.107 278 I CB 2.209 40.139 38.000 -0.116 0.000 1.285 278 I HN 0.394 nan 8.210 nan 0.000 0.436 279 V N 5.997 125.650 119.914 -0.436 0.000 2.638 279 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 279 V C -1.336 174.414 176.094 -0.575 0.000 1.052 279 V CA -0.395 61.602 62.300 -0.505 0.000 0.885 279 V CB 1.849 33.493 31.823 -0.298 0.000 0.999 279 V HN 0.952 nan 8.190 nan 0.000 0.424 280 C N 9.300 128.174 119.300 -0.709 0.000 2.322 280 C HA 0.779 5.239 4.460 -0.000 0.000 0.324 280 C C -1.916 172.845 174.990 -0.381 0.000 1.249 280 C CA -1.389 57.267 59.018 -0.603 0.000 1.453 280 C CB 1.248 28.480 27.740 -0.846 0.000 2.145 280 C HN 0.874 nan 8.230 nan 0.000 0.466 281 P HA 0.322 nan 4.420 nan 0.000 0.231 281 P C 0.941 178.192 177.300 -0.081 0.000 1.257 281 P CA 2.663 65.687 63.100 -0.127 0.000 0.656 281 P CB 0.206 31.851 31.700 -0.091 0.000 0.993 282 A N -4.027 118.789 122.820 -0.006 0.000 2.758 282 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 282 A C 1.550 179.269 177.584 0.225 0.000 0.680 282 A CA 1.337 53.404 52.037 0.049 0.000 1.457 282 A CB -2.928 16.054 19.000 -0.030 0.000 1.235 282 A HN 0.341 nan 8.150 nan 0.000 0.682 283 W N 1.387 122.686 121.300 -0.001 0.000 2.863 283 W HA 0.359 5.019 4.660 -0.000 0.000 0.258 283 W C 0.721 177.233 176.519 -0.012 0.000 1.298 283 W CA 0.272 57.621 57.345 0.007 0.000 1.451 283 W CB -0.002 29.473 29.460 0.025 0.000 1.107 283 W HN 0.369 nan 8.180 nan 0.000 0.641 284 I N 3.534 124.219 120.570 0.192 0.000 2.483 284 I HA 0.011 4.181 4.170 -0.000 0.000 0.291 284 I C -1.092 175.050 176.117 0.042 0.000 1.112 284 I CA -1.423 59.934 61.300 0.096 0.000 1.350 284 I CB -0.139 37.893 38.000 0.054 0.000 1.419 284 I HN -0.320 nan 8.210 nan 0.000 0.523 285 P HA -0.222 nan 4.420 nan 0.000 0.217 285 P C 1.301 178.592 177.300 -0.014 0.000 1.158 285 P CA 1.640 64.736 63.100 -0.007 0.000 0.887 285 P CB 0.351 32.041 31.700 -0.018 0.000 0.792 286 E N -0.851 119.342 120.200 -0.012 0.000 2.153 286 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 286 E C 1.688 178.272 176.600 -0.026 0.000 0.988 286 E CA 0.767 57.153 56.400 -0.023 0.000 0.811 286 E CB -0.786 28.901 29.700 -0.022 0.000 0.746 286 E HN 0.243 nan 8.360 nan 0.000 0.466 287 L N 0.846 122.059 121.223 -0.016 0.000 2.645 287 L HA 0.043 4.383 4.340 -0.000 0.000 0.235 287 L C 1.224 178.083 176.870 -0.017 0.000 1.150 287 L CA 0.163 54.991 54.840 -0.020 0.000 0.911 287 L CB 0.062 42.111 42.059 -0.017 0.000 1.077 287 L HN 0.117 nan 8.230 nan 0.000 0.438 288 N N -1.589 117.101 118.700 -0.017 0.000 2.145 288 N HA 0.037 4.777 4.740 -0.000 0.000 0.219 288 N C 0.524 176.022 175.510 -0.020 0.000 1.266 288 N CA 0.131 53.171 53.050 -0.017 0.000 0.902 288 N CB 0.817 39.296 38.487 -0.013 0.000 1.078 288 N HN 0.168 nan 8.380 nan 0.000 0.513 289 S N 0.808 116.488 115.700 -0.034 0.000 2.592 289 S HA 0.428 4.898 4.470 -0.000 0.000 0.271 289 S C 0.341 174.892 174.600 -0.081 0.000 1.326 289 S CA -0.534 57.633 58.200 -0.056 0.000 1.024 289 S CB 1.461 64.618 63.200 -0.071 0.000 0.921 289 S HN 0.009 nan 8.310 nan 0.000 0.527 290 V N 0.198 120.036 119.914 -0.127 0.000 2.581 290 V HA 0.778 4.898 4.120 -0.000 0.000 0.303 290 V C -0.582 175.294 176.094 -0.362 0.000 1.041 290 V CA -0.578 61.530 62.300 -0.321 0.000 0.907 290 V CB 1.227 32.838 31.823 -0.353 0.000 0.994 290 V HN 1.061 nan 8.190 nan 0.000 0.442 291 E N 2.205 122.084 120.200 -0.534 0.000 2.291 291 E HA 0.395 4.745 4.350 -0.000 0.000 0.276 291 E C -1.448 174.845 176.600 -0.513 0.000 0.896 291 E CA -0.709 55.454 56.400 -0.395 0.000 0.774 291 E CB 1.395 30.951 29.700 -0.240 0.000 1.227 291 E HN 0.935 nan 8.360 nan 0.000 0.413 292 H N 2.756 121.757 119.070 -0.115 0.000 2.914 292 H HA 0.196 4.752 4.556 -0.000 0.000 0.264 292 H C 0.529 175.855 175.328 -0.003 0.000 1.433 292 H CA -0.027 55.992 56.048 -0.048 0.000 1.342 292 H CB 0.464 30.225 29.762 -0.001 0.000 1.582 292 H HN 0.615 nan 8.280 nan 0.000 0.525 293 G N 2.505 111.331 108.800 0.042 0.000 2.583 293 G HA2 0.051 4.011 3.960 -0.000 0.000 0.275 293 G HA3 0.051 4.011 3.960 -0.000 0.000 0.275 293 G C -1.288 173.717 174.900 0.176 0.000 1.342 293 G CA -0.913 44.229 45.100 0.070 0.000 1.030 293 G HN 0.333 nan 8.290 nan 0.000 0.520 294 P HA 0.227 nan 4.420 nan 0.000 0.249 294 P C -0.129 177.312 177.300 0.234 0.000 1.229 294 P CA 0.745 63.923 63.100 0.130 0.000 0.788 294 P CB 0.751 32.488 31.700 0.062 0.000 1.072 295 D N -2.325 118.326 120.400 0.418 0.000 2.249 295 D HA 0.270 4.910 4.640 -0.000 0.000 0.371 295 D C 0.560 176.999 176.300 0.232 0.000 1.055 295 D CA 0.641 54.846 54.000 0.342 0.000 0.897 295 D CB 1.033 41.913 40.800 0.133 0.000 1.466 295 D HN 0.105 nan 8.370 nan 0.000 0.516 296 G N -0.156 108.571 108.800 -0.122 0.000 2.315 296 G HA2 0.341 4.301 3.960 -0.000 0.000 0.294 296 G HA3 0.341 4.301 3.960 -0.000 0.000 0.294 296 G C -1.665 172.978 174.900 -0.429 0.000 1.300 296 G CA -0.865 43.852 45.100 -0.637 0.000 0.843 296 G HN -0.002 nan 8.290 nan 0.000 0.527 297 I N 0.748 121.110 120.570 -0.346 0.000 2.385 297 I HA 0.546 4.716 4.170 -0.000 0.000 0.294 297 I C 0.263 176.070 176.117 -0.517 0.000 0.988 297 I CA -0.575 60.474 61.300 -0.418 0.000 1.265 297 I CB 1.941 39.719 38.000 -0.371 0.000 1.388 297 I HN 0.334 nan 8.210 nan 0.000 0.480 298 S N 5.818 121.131 115.700 -0.644 0.000 2.498 298 S HA 0.622 5.092 4.470 -0.000 0.000 0.317 298 S C -0.937 173.282 174.600 -0.634 0.000 1.090 298 S CA -0.428 57.488 58.200 -0.473 0.000 1.089 298 S CB 0.324 63.348 63.200 -0.293 0.000 0.997 298 S HN 0.299 nan 8.310 nan 0.000 0.470 299 F N 2.153 121.988 119.950 -0.192 0.000 2.482 299 F HA 0.504 5.031 4.527 -0.000 0.000 0.331 299 F C 1.141 176.849 175.800 -0.153 0.000 1.115 299 F CA -0.783 57.111 58.000 -0.176 0.000 0.955 299 F CB 1.531 40.420 39.000 -0.184 0.000 1.136 299 F HN 0.646 nan 8.300 nan 0.000 0.452 300 G N 1.217 110.047 108.800 0.050 0.000 2.353 300 G HA2 0.294 4.254 3.960 -0.000 0.000 0.239 300 G HA3 0.294 4.254 3.960 -0.000 0.000 0.239 300 G C 0.863 175.754 174.900 -0.015 0.000 1.295 300 G CA 0.061 45.158 45.100 -0.005 0.000 0.884 300 G HN 0.989 nan 8.290 nan 0.000 0.537 301 A N 2.441 125.236 122.820 -0.040 0.000 2.076 301 A HA 0.077 4.397 4.320 -0.000 0.000 0.220 301 A C 2.620 180.167 177.584 -0.062 0.000 1.160 301 A CA 2.319 54.320 52.037 -0.060 0.000 0.653 301 A CB -0.272 18.690 19.000 -0.063 0.000 0.801 301 A HN 1.250 nan 8.150 nan 0.000 0.455 302 A N -1.043 121.748 122.820 -0.049 0.000 1.970 302 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 302 A C 1.252 178.799 177.584 -0.062 0.000 1.170 302 A CA 0.578 52.586 52.037 -0.047 0.000 0.645 302 A CB -1.108 17.877 19.000 -0.026 0.000 0.816 302 A HN 0.530 nan 8.150 nan 0.000 0.447 303 C N 1.567 120.828 119.300 -0.064 0.000 2.275 303 C HA 0.168 4.628 4.460 -0.000 0.000 0.391 303 C C -2.093 172.814 174.990 -0.139 0.000 1.503 303 C CA -0.562 58.400 59.018 -0.093 0.000 1.502 303 C CB -0.702 26.992 27.740 -0.077 0.000 2.529 303 C HN 0.392 nan 8.230 nan 0.000 0.588 304 P HA 0.202 nan 4.420 nan 0.000 0.277 304 P C 0.845 178.001 177.300 -0.241 0.000 1.240 304 P CA -0.334 62.653 63.100 -0.190 0.000 0.798 304 P CB 0.431 32.007 31.700 -0.206 0.000 0.979 305 L N 1.193 122.256 121.223 -0.267 0.000 2.021 305 L HA -0.298 4.042 4.340 -0.000 0.000 0.215 305 L C 2.453 179.138 176.870 -0.309 0.000 1.074 305 L CA 2.681 57.316 54.840 -0.340 0.000 0.760 305 L CB -1.219 40.587 42.059 -0.421 0.000 0.889 305 L HN 0.502 nan 8.230 nan 0.000 0.433 306 S N 0.176 115.725 115.700 -0.252 0.000 2.387 306 S HA -0.236 4.234 4.470 -0.000 0.000 0.230 306 S C 1.870 176.350 174.600 -0.200 0.000 1.035 306 S CA 1.644 59.718 58.200 -0.210 0.000 1.014 306 S CB -0.663 62.435 63.200 -0.170 0.000 0.836 306 S HN 0.615 nan 8.310 nan 0.000 0.466 307 I N 0.032 120.476 120.570 -0.210 0.000 3.228 307 I HA 0.115 4.285 4.170 -0.000 0.000 0.279 307 I C 1.826 177.813 176.117 -0.216 0.000 1.221 307 I CA 0.395 61.594 61.300 -0.169 0.000 1.458 307 I CB -0.220 37.707 38.000 -0.122 0.000 1.105 307 I HN 0.173 nan 8.210 nan 0.000 0.445 308 V N 2.217 121.893 119.914 -0.396 0.000 2.282 308 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 308 V C 2.583 178.449 176.094 -0.380 0.000 1.057 308 V CA 2.606 64.505 62.300 -0.669 0.000 1.032 308 V CB -0.860 30.486 31.823 -0.796 0.000 0.645 308 V HN 0.558 nan 8.190 nan 0.000 0.447 309 E N 0.480 120.504 120.200 -0.293 0.000 2.021 309 E HA -0.330 4.020 4.350 -0.000 0.000 0.200 309 E C 2.302 178.826 176.600 -0.126 0.000 1.015 309 E CA 2.142 58.418 56.400 -0.207 0.000 0.824 309 E CB -0.305 29.279 29.700 -0.195 0.000 0.762 309 E HN 0.602 nan 8.360 nan 0.000 0.454 310 K N -0.451 119.885 120.400 -0.106 0.000 2.281 310 K HA -0.143 4.177 4.320 -0.000 0.000 0.203 310 K C 1.612 178.214 176.600 0.005 0.000 1.046 310 K CA 1.751 58.006 56.287 -0.053 0.000 0.938 310 K CB -0.010 32.455 32.500 -0.058 0.000 0.737 310 K HN 0.138 nan 8.250 nan 0.000 0.458 311 T N 1.399 115.977 114.554 0.040 0.000 2.755 311 T HA -0.041 4.309 4.350 -0.000 0.000 0.251 311 T C 1.699 176.499 174.700 0.167 0.000 1.044 311 T CA 0.762 62.951 62.100 0.149 0.000 1.154 311 T CB -0.229 68.825 68.868 0.310 0.000 0.866 311 T HN 0.012 nan 8.240 nan 0.000 0.416 312 L N 1.694 123.009 121.223 0.153 0.000 1.991 312 L HA -0.195 4.145 4.340 -0.000 0.000 0.221 312 L C 2.755 179.697 176.870 0.120 0.000 1.079 312 L CA 1.567 56.501 54.840 0.157 0.000 0.778 312 L CB -1.546 40.517 42.059 0.007 0.000 0.893 312 L HN 0.148 nan 8.230 nan 0.000 0.437 313 V N 0.367 120.304 119.914 0.038 0.000 2.277 313 V HA -0.367 3.753 4.120 -0.000 0.000 0.255 313 V C 2.158 178.276 176.094 0.039 0.000 1.074 313 V CA 2.313 64.623 62.300 0.017 0.000 1.058 313 V CB -1.180 30.631 31.823 -0.019 0.000 0.656 313 V HN 0.734 nan 8.190 nan 0.000 0.449 314 D N 0.550 120.980 120.400 0.050 0.000 2.262 314 D HA 0.101 4.741 4.640 -0.000 0.000 0.212 314 D C 1.893 178.230 176.300 0.062 0.000 0.964 314 D CA 0.986 55.012 54.000 0.043 0.000 0.875 314 D CB -0.354 40.461 40.800 0.025 0.000 0.996 314 D HN 0.361 nan 8.370 nan 0.000 0.497 315 A N 0.567 123.452 122.820 0.109 0.000 2.125 315 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 315 A C 2.333 179.989 177.584 0.120 0.000 1.156 315 A CA 1.137 53.252 52.037 0.130 0.000 0.671 315 A CB -0.894 18.244 19.000 0.230 0.000 0.794 315 A HN 0.227 nan 8.150 nan 0.000 0.459 316 V N -0.500 119.492 119.914 0.130 0.000 2.407 316 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 316 V C 2.725 178.835 176.094 0.027 0.000 1.055 316 V CA 2.131 64.474 62.300 0.071 0.000 1.049 316 V CB -0.438 31.433 31.823 0.081 0.000 0.662 316 V HN 0.592 nan 8.190 nan 0.000 0.455 317 A N -1.647 121.189 122.820 0.027 0.000 2.123 317 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 317 A C 1.748 179.332 177.584 0.000 0.000 1.152 317 A CA 0.680 52.723 52.037 0.011 0.000 0.728 317 A CB -0.117 18.889 19.000 0.010 0.000 0.814 317 A HN 0.307 nan 8.150 nan 0.000 0.464 318 K N -0.067 120.332 120.400 -0.001 0.000 2.965 318 K HA 0.570 4.890 4.320 -0.000 0.000 0.216 318 K C -1.353 175.229 176.600 -0.029 0.000 1.164 318 K CA 0.063 56.340 56.287 -0.016 0.000 1.153 318 K CB -0.408 32.080 32.500 -0.020 0.000 1.045 318 K HN 0.401 nan 8.250 nan 0.000 0.460 319 L N 1.056 122.260 121.223 -0.033 0.000 2.676 319 L HA 0.255 4.595 4.340 -0.000 0.000 0.262 319 L C -2.473 174.362 176.870 -0.058 0.000 0.932 319 L CA -1.462 53.344 54.840 -0.055 0.000 0.932 319 L CB 2.329 44.353 42.059 -0.059 0.000 1.355 319 L HN -0.007 nan 8.230 nan 0.000 0.421 320 P HA -0.087 nan 4.420 nan 0.000 0.248 320 P C 0.330 177.597 177.300 -0.055 0.000 1.127 320 P CA 0.270 63.335 63.100 -0.059 0.000 0.801 320 P CB 0.390 32.043 31.700 -0.078 0.000 0.732 321 A N 3.111 125.913 122.820 -0.030 0.000 1.941 321 A HA -0.150 4.170 4.320 -0.000 0.000 0.207 321 A C 1.576 179.159 177.584 -0.001 0.000 1.467 321 A CA 1.075 53.104 52.037 -0.014 0.000 1.520 321 A CB -0.822 18.182 19.000 0.006 0.000 0.718 321 A HN 0.513 nan 8.150 nan 0.000 0.608 322 Q N -1.128 118.655 119.800 -0.028 0.000 2.104 322 Q HA 0.176 4.515 4.340 -0.000 0.000 0.240 322 Q C 1.352 177.322 176.000 -0.050 0.000 0.743 322 Q CA 0.873 56.666 55.803 -0.017 0.000 0.920 322 Q CB 0.049 28.779 28.738 -0.013 0.000 1.198 322 Q HN 0.520 nan 8.270 nan 0.000 0.465 323 K N -0.068 120.283 120.400 -0.082 0.000 2.228 323 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 323 K C 0.725 177.255 176.600 -0.117 0.000 1.051 323 K CA 1.446 57.684 56.287 -0.081 0.000 0.960 323 K CB 0.226 32.618 32.500 -0.181 0.000 0.743 323 K HN 0.332 nan 8.250 nan 0.000 0.458 324 T N -0.895 113.563 114.554 -0.159 0.000 3.500 324 T HA 0.146 4.496 4.350 -0.000 0.000 0.244 324 T C 0.902 175.577 174.700 -0.041 0.000 0.962 324 T CA -0.083 61.876 62.100 -0.235 0.000 0.932 324 T CB 0.157 68.927 68.868 -0.162 0.000 1.096 324 T HN 0.007 nan 8.240 nan 0.000 0.617 325 E N 0.482 120.701 120.200 0.032 0.000 2.216 325 E HA 0.027 4.377 4.350 -0.000 0.000 0.192 325 E C 2.008 178.666 176.600 0.097 0.000 0.973 325 E CA 0.524 56.986 56.400 0.103 0.000 0.851 325 E CB 0.301 30.092 29.700 0.151 0.000 0.804 325 E HN 0.515 nan 8.360 nan 0.000 0.477 326 V N 0.985 121.015 119.914 0.192 0.000 2.302 326 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 326 V C 2.109 178.240 176.094 0.062 0.000 1.036 326 V CA 1.234 63.602 62.300 0.115 0.000 1.020 326 V CB -0.730 31.295 31.823 0.337 0.000 0.657 326 V HN 0.057 nan 8.190 nan 0.000 0.453 327 F N 1.119 121.008 119.950 -0.101 0.000 2.043 327 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 327 F C 2.637 178.340 175.800 -0.161 0.000 1.118 327 F CA 1.899 59.840 58.000 -0.100 0.000 1.202 327 F CB -1.184 37.801 39.000 -0.025 0.000 0.965 327 F HN 0.010 nan 8.300 nan 0.000 0.482 328 R N 0.046 120.589 120.500 0.071 0.000 2.185 328 R HA -0.148 4.192 4.340 -0.000 0.000 0.247 328 R C 2.441 178.639 176.300 -0.171 0.000 1.159 328 R CA 1.216 57.291 56.100 -0.043 0.000 0.988 328 R CB -1.089 29.198 30.300 -0.022 0.000 0.871 328 R HN 0.445 nan 8.270 nan 0.000 0.458 329 G N -0.876 107.724 108.800 -0.333 0.000 2.425 329 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.213 329 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.213 329 G C 1.398 176.048 174.900 -0.416 0.000 1.201 329 G CA 0.580 45.373 45.100 -0.513 0.000 0.799 329 G HN 0.151 nan 8.290 nan 0.000 0.534 330 V N 1.380 121.045 119.914 -0.415 0.000 2.233 330 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 330 V C 2.945 178.887 176.094 -0.252 0.000 1.063 330 V CA 2.037 64.123 62.300 -0.358 0.000 1.032 330 V CB -0.690 30.921 31.823 -0.352 0.000 0.645 330 V HN 0.321 nan 8.190 nan 0.000 0.446 331 L N -0.399 120.707 121.223 -0.196 0.000 2.261 331 L HA -0.160 4.180 4.340 -0.000 0.000 0.216 331 L C 2.451 179.242 176.870 -0.133 0.000 1.114 331 L CA 1.455 56.204 54.840 -0.152 0.000 0.777 331 L CB -0.550 41.448 42.059 -0.102 0.000 0.910 331 L HN 0.307 nan 8.230 nan 0.000 0.440 332 E N -0.697 119.426 120.200 -0.127 0.000 2.371 332 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 332 E C 1.964 178.569 176.600 0.008 0.000 1.012 332 E CA 0.478 56.847 56.400 -0.052 0.000 0.860 332 E CB 0.290 29.946 29.700 -0.074 0.000 0.811 332 E HN 0.520 nan 8.360 nan 0.000 0.502 333 Q N -0.286 119.476 119.800 -0.064 0.000 2.304 333 Q HA 0.129 4.469 4.340 -0.000 0.000 0.204 333 Q C 2.360 178.390 176.000 0.051 0.000 0.936 333 Q CA 0.162 55.974 55.803 0.014 0.000 0.878 333 Q CB 0.024 28.725 28.738 -0.063 0.000 0.983 333 Q HN 0.291 nan 8.270 nan 0.000 0.516 334 L N 1.741 122.933 121.223 -0.053 0.000 2.351 334 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 334 L C 2.405 179.196 176.870 -0.131 0.000 1.127 334 L CA 1.104 55.895 54.840 -0.082 0.000 0.786 334 L CB -0.536 41.401 42.059 -0.203 0.000 0.914 334 L HN 0.254 nan 8.230 nan 0.000 0.443 335 R N -0.748 119.601 120.500 -0.251 0.000 2.119 335 R HA -0.127 4.213 4.340 -0.000 0.000 0.222 335 R C 1.376 177.338 176.300 -0.564 0.000 1.088 335 R CA 1.123 56.908 56.100 -0.524 0.000 0.984 335 R CB -0.512 29.314 30.300 -0.789 0.000 0.884 335 R HN 0.373 nan 8.270 nan 0.000 0.447 336 W N -0.025 121.307 121.300 0.054 0.000 3.278 336 W HA 0.263 4.923 4.660 0.000 0.000 0.308 336 W C -0.017 176.536 176.519 0.056 0.000 1.253 336 W CA -1.119 56.254 57.345 0.046 0.000 1.759 336 W CB 0.225 29.702 29.460 0.028 0.000 1.093 336 W HN -0.146 nan 8.180 nan 0.000 0.648 337 F N 1.999 121.990 119.950 0.068 0.000 2.613 337 F HA 0.381 4.908 4.527 -0.000 0.000 0.341 337 F C 1.165 176.958 175.800 -0.012 0.000 1.288 337 F CA 0.213 58.221 58.000 0.014 0.000 1.103 337 F CB -0.239 38.736 39.000 -0.042 0.000 1.423 337 F HN 0.109 nan 8.300 nan 0.000 0.651 338 A N 2.684 125.627 122.820 0.206 0.000 3.995 338 A HA -0.034 4.286 4.320 -0.000 0.000 0.247 338 A C 1.398 179.074 177.584 0.153 0.000 0.802 338 A CA 0.985 53.139 52.037 0.196 0.000 1.413 338 A CB -2.393 16.830 19.000 0.372 0.000 1.038 338 A HN 2.337 nan 8.150 nan 0.000 0.728 339 G N -1.747 107.116 108.800 0.105 0.000 2.722 339 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.686 339 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.686 339 G C 0.051 174.975 174.900 0.040 0.000 1.282 339 G CA 0.605 45.733 45.100 0.047 0.000 0.817 339 G HN 0.950 nan 8.290 nan 0.000 0.605 340 K N 0.700 121.103 120.400 0.005 0.000 2.283 340 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 340 K C 2.548 179.165 176.600 0.028 0.000 1.048 340 K CA 1.849 58.131 56.287 -0.008 0.000 0.948 340 K CB 0.004 32.478 32.500 -0.043 0.000 0.742 340 K HN 0.604 nan 8.250 nan 0.000 0.458 341 Q N -0.051 119.782 119.800 0.055 0.000 2.291 341 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 341 Q C 1.751 177.801 176.000 0.084 0.000 0.970 341 Q CA 0.871 56.724 55.803 0.082 0.000 0.876 341 Q CB 0.180 28.969 28.738 0.085 0.000 0.935 341 Q HN 0.028 nan 8.270 nan 0.000 0.455 342 V N -0.645 119.311 119.914 0.071 0.000 3.455 342 V HA 0.017 4.137 4.120 -0.000 0.000 0.250 342 V C 1.512 177.627 176.094 0.036 0.000 1.230 342 V CA 0.579 62.925 62.300 0.076 0.000 1.105 342 V CB 0.192 32.082 31.823 0.111 0.000 0.850 342 V HN 0.173 nan 8.190 nan 0.000 0.461 343 K N 0.270 120.670 120.400 0.000 0.000 2.228 343 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 343 K C 2.079 178.613 176.600 -0.111 0.000 1.051 343 K CA 1.236 57.464 56.287 -0.098 0.000 0.960 343 K CB -0.008 32.416 32.500 -0.125 0.000 0.743 343 K HN 0.361 nan 8.250 nan 0.000 0.458 344 S N 0.834 116.503 115.700 -0.050 0.000 2.489 344 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 344 S C 1.847 176.386 174.600 -0.102 0.000 0.995 344 S CA 0.985 59.138 58.200 -0.079 0.000 0.934 344 S CB 0.134 63.360 63.200 0.044 0.000 0.771 344 S HN 0.243 nan 8.310 nan 0.000 0.522 345 V N -2.122 117.782 119.914 -0.018 0.000 3.645 345 V HA 0.589 4.709 4.120 -0.000 0.000 0.275 345 V C 0.656 176.730 176.094 -0.032 0.000 1.356 345 V CA -0.138 62.155 62.300 -0.012 0.000 1.051 345 V CB -0.642 31.220 31.823 0.064 0.000 0.828 345 V HN 0.306 nan 8.190 nan 0.000 0.441 346 A N 1.772 124.562 122.820 -0.050 0.000 2.354 346 A HA 0.726 5.046 4.320 -0.000 0.000 0.269 346 A C 0.559 178.083 177.584 -0.100 0.000 1.109 346 A CA 0.378 52.384 52.037 -0.051 0.000 0.800 346 A CB 0.406 19.386 19.000 -0.033 0.000 1.045 346 A HN 0.771 nan 8.150 nan 0.000 0.489 347 S N 1.181 116.833 115.700 -0.080 0.000 2.616 347 S HA 0.421 4.891 4.470 -0.000 0.000 0.277 347 S C 1.252 175.790 174.600 -0.105 0.000 1.234 347 S CA -0.254 57.885 58.200 -0.101 0.000 1.028 347 S CB 1.097 64.251 63.200 -0.075 0.000 0.988 347 S HN 1.168 nan 8.310 nan 0.000 0.522 348 V N 1.301 121.133 119.914 -0.138 0.000 2.233 348 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 348 V C 2.665 178.704 176.094 -0.092 0.000 1.050 348 V CA 2.050 64.273 62.300 -0.128 0.000 1.010 348 V CB -2.328 29.382 31.823 -0.187 0.000 0.637 348 V HN 1.009 nan 8.190 nan 0.000 0.444 349 G N 1.116 109.859 108.800 -0.095 0.000 2.759 349 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.224 349 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.224 349 G C 1.601 176.480 174.900 -0.036 0.000 1.173 349 G CA 1.855 46.913 45.100 -0.069 0.000 0.770 349 G HN 0.851 nan 8.290 nan 0.000 0.626 350 G N 0.571 109.352 108.800 -0.032 0.000 2.442 350 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 350 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 350 G C 1.724 176.642 174.900 0.029 0.000 1.141 350 G CA 1.366 46.461 45.100 -0.007 0.000 0.763 350 G HN 0.559 nan 8.290 nan 0.000 0.554 351 N N 0.097 118.823 118.700 0.044 0.000 2.171 351 N HA 0.019 4.759 4.740 -0.000 0.000 0.184 351 N C 2.145 177.726 175.510 0.118 0.000 1.021 351 N CA 0.709 53.819 53.050 0.100 0.000 0.854 351 N CB -0.164 38.408 38.487 0.141 0.000 0.994 351 N HN 0.330 nan 8.380 nan 0.000 0.426 352 I N 0.270 120.898 120.570 0.097 0.000 2.142 352 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 352 I C 1.755 178.001 176.117 0.215 0.000 1.078 352 I CA 1.085 62.467 61.300 0.136 0.000 1.343 352 I CB -0.138 37.862 38.000 0.000 0.000 1.046 352 I HN 0.176 nan 8.210 nan 0.000 0.405 353 I N -0.631 120.022 120.570 0.139 0.000 2.928 353 I HA -0.186 3.984 4.170 -0.000 0.000 0.266 353 I C 2.054 178.241 176.117 0.117 0.000 1.234 353 I CA 0.774 62.164 61.300 0.149 0.000 1.483 353 I CB -0.406 37.639 38.000 0.075 0.000 1.097 353 I HN 0.140 nan 8.210 nan 0.000 0.455 354 T N 1.426 116.031 114.554 0.084 0.000 3.139 354 T HA 0.019 4.369 4.350 -0.000 0.000 0.267 354 T C 1.053 175.767 174.700 0.023 0.000 1.164 354 T CA 0.341 62.464 62.100 0.039 0.000 1.075 354 T CB -0.448 68.440 68.868 0.033 0.000 0.904 354 T HN 0.380 nan 8.240 nan 0.000 0.540 355 A N 1.860 124.727 122.820 0.079 0.000 2.729 355 A HA 0.335 4.655 4.320 -0.000 0.000 0.291 355 A C 0.905 178.478 177.584 -0.018 0.000 1.574 355 A CA -0.046 52.045 52.037 0.090 0.000 1.194 355 A CB -0.463 18.716 19.000 0.299 0.000 1.047 355 A HN 0.356 nan 8.150 nan 0.000 0.578 356 S N 3.089 118.772 115.700 -0.028 0.000 2.579 356 S HA 0.271 4.741 4.470 -0.000 0.000 0.275 356 S C -0.920 173.659 174.600 -0.034 0.000 1.345 356 S CA -0.944 57.243 58.200 -0.021 0.000 1.031 356 S CB 0.443 63.638 63.200 -0.008 0.000 0.892 356 S HN 0.472 nan 8.310 nan 0.000 0.529 357 P HA -0.139 nan 4.420 nan 0.000 0.217 357 P C 0.708 177.982 177.300 -0.044 0.000 1.151 357 P CA 1.306 64.406 63.100 -0.001 0.000 0.849 357 P CB -0.217 31.508 31.700 0.041 0.000 0.787 358 I N -4.791 115.758 120.570 -0.035 0.000 3.856 358 I HA 0.262 4.432 4.170 -0.000 0.000 0.333 358 I C 0.438 176.520 176.117 -0.058 0.000 1.525 358 I CA -1.268 60.004 61.300 -0.046 0.000 1.173 358 I CB -1.043 36.931 38.000 -0.045 0.000 1.175 358 I HN -0.249 nan 8.210 nan 0.000 0.424 359 S N 0.920 116.586 115.700 -0.057 0.000 2.562 359 S HA 0.134 4.604 4.470 -0.000 0.000 0.281 359 S C 0.700 175.276 174.600 -0.041 0.000 1.333 359 S CA -0.114 58.065 58.200 -0.035 0.000 1.052 359 S CB 0.429 63.634 63.200 0.008 0.000 0.884 359 S HN 0.464 nan 8.310 nan 0.000 0.506 360 D N 3.544 123.928 120.400 -0.027 0.000 2.349 360 D HA 0.108 4.748 4.640 -0.000 0.000 0.214 360 D C 1.441 177.701 176.300 -0.067 0.000 1.063 360 D CA 0.213 54.187 54.000 -0.044 0.000 0.847 360 D CB 0.229 41.014 40.800 -0.026 0.000 0.933 360 D HN 0.486 nan 8.370 nan 0.000 0.513 361 L N 0.516 121.724 121.223 -0.024 0.000 2.202 361 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 361 L C 2.049 178.787 176.870 -0.219 0.000 1.083 361 L CA 0.447 55.167 54.840 -0.200 0.000 0.790 361 L CB -0.196 41.852 42.059 -0.019 0.000 0.942 361 L HN -0.108 nan 8.230 nan 0.000 0.452 362 N N 0.556 119.262 118.700 0.010 0.000 2.058 362 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 362 N C -0.753 174.770 175.510 0.022 0.000 1.037 362 N CA 1.397 54.503 53.050 0.094 0.000 0.848 362 N CB -1.500 36.966 38.487 -0.035 0.000 1.021 362 N HN 0.094 nan 8.380 nan 0.000 0.422 363 P HA -0.143 nan 4.420 nan 0.000 0.218 363 P C 1.592 178.858 177.300 -0.057 0.000 1.154 363 P CA 1.058 64.121 63.100 -0.060 0.000 0.872 363 P CB 0.037 31.674 31.700 -0.104 0.000 0.790 364 V N -2.310 117.509 119.914 -0.159 0.000 2.591 364 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 364 V C 2.110 178.156 176.094 -0.080 0.000 1.053 364 V CA 1.437 63.645 62.300 -0.153 0.000 1.068 364 V CB -1.279 30.303 31.823 -0.403 0.000 0.689 364 V HN 0.039 nan 8.190 nan 0.000 0.462 365 F N -0.500 119.454 119.950 0.008 0.000 2.075 365 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 365 F C 2.549 178.353 175.800 0.006 0.000 1.113 365 F CA 2.154 60.149 58.000 -0.008 0.000 1.218 365 F CB -0.359 38.613 39.000 -0.047 0.000 0.984 365 F HN 0.067 nan 8.300 nan 0.000 0.472 366 M N 0.424 120.142 119.600 0.197 0.000 2.117 366 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 366 M C 2.237 178.581 176.300 0.073 0.000 1.065 366 M CA 1.972 57.351 55.300 0.131 0.000 1.114 366 M CB -0.254 32.450 32.600 0.172 0.000 1.361 366 M HN 0.158 nan 8.290 nan 0.000 0.408 367 A N -1.058 121.784 122.820 0.037 0.000 2.014 367 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 367 A C 2.133 179.648 177.584 -0.114 0.000 1.163 367 A CA 1.777 53.769 52.037 -0.075 0.000 0.652 367 A CB -0.797 18.096 19.000 -0.179 0.000 0.808 367 A HN 0.587 nan 8.150 nan 0.000 0.449 368 S N -0.752 114.988 115.700 0.066 0.000 2.453 368 S HA 0.238 4.708 4.470 -0.000 0.000 0.231 368 S C 1.210 175.848 174.600 0.063 0.000 1.005 368 S CA 1.133 59.420 58.200 0.145 0.000 0.949 368 S CB -0.723 62.659 63.200 0.303 0.000 0.774 368 S HN 1.824 nan 8.310 nan 0.000 0.510 369 G N 1.363 110.192 108.800 0.047 0.000 2.331 369 G HA2 0.011 3.971 3.960 -0.000 0.000 0.254 369 G HA3 0.011 3.971 3.960 -0.000 0.000 0.254 369 G C -0.039 174.882 174.900 0.035 0.000 0.879 369 G CA 0.136 45.254 45.100 0.030 0.000 1.287 369 G HN 0.854 nan 8.290 nan 0.000 0.383 370 A N 1.917 124.758 122.820 0.035 0.000 2.239 370 A HA 0.915 5.235 4.320 -0.000 0.000 0.303 370 A C 0.633 178.179 177.584 -0.064 0.000 1.114 370 A CA 0.006 52.053 52.037 0.016 0.000 0.871 370 A CB 1.016 20.050 19.000 0.057 0.000 1.201 370 A HN 1.152 nan 8.150 nan 0.000 0.506 371 K N 1.226 121.569 120.400 -0.095 0.000 2.521 371 K HA 0.490 4.810 4.320 -0.000 0.000 0.248 371 K C -1.264 175.259 176.600 -0.129 0.000 0.978 371 K CA -0.355 55.874 56.287 -0.097 0.000 0.947 371 K CB 0.337 32.799 32.500 -0.062 0.000 1.165 371 K HN 0.601 nan 8.250 nan 0.000 0.445 372 L N 3.027 124.167 121.223 -0.138 0.000 2.350 372 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 372 L C -0.120 176.711 176.870 -0.064 0.000 1.099 372 L CA -0.653 54.114 54.840 -0.121 0.000 0.808 372 L CB 1.410 43.396 42.059 -0.121 0.000 1.149 372 L HN 0.619 nan 8.230 nan 0.000 0.442 373 T N 3.959 118.478 114.554 -0.059 0.000 2.977 373 T HA 0.497 4.847 4.350 -0.000 0.000 0.346 373 T C -0.262 174.417 174.700 -0.034 0.000 1.140 373 T CA -0.380 61.693 62.100 -0.045 0.000 1.040 373 T CB 0.644 69.479 68.868 -0.054 0.000 1.046 373 T HN 0.148 nan 8.240 nan 0.000 0.494 374 L N 4.067 125.277 121.223 -0.022 0.000 2.309 374 L HA 0.767 5.107 4.340 -0.000 0.000 0.282 374 L C 0.154 177.010 176.870 -0.025 0.000 1.036 374 L CA -0.667 54.162 54.840 -0.018 0.000 0.806 374 L CB 1.527 43.582 42.059 -0.007 0.000 1.220 374 L HN 0.475 nan 8.230 nan 0.000 0.429 375 V N -0.228 119.669 119.914 -0.027 0.000 3.001 375 V HA 1.012 5.132 4.120 -0.000 0.000 0.314 375 V C -0.502 175.574 176.094 -0.029 0.000 1.099 375 V CA -0.371 61.913 62.300 -0.028 0.000 0.989 375 V CB 2.004 33.811 31.823 -0.028 0.000 1.040 375 V HN 0.780 nan 8.190 nan 0.000 0.434 376 S N 1.530 117.214 115.700 -0.027 0.000 2.688 376 S HA 0.645 5.115 4.470 -0.000 0.000 0.275 376 S C -0.834 173.752 174.600 -0.023 0.000 1.175 376 S CA -0.691 57.493 58.200 -0.026 0.000 0.818 376 S CB 1.931 65.114 63.200 -0.029 0.000 1.157 376 S HN 1.435 nan 8.310 nan 0.000 0.482 377 R N 0.959 121.447 120.500 -0.021 0.000 2.216 377 R HA 0.591 4.931 4.340 -0.000 0.000 0.332 377 R C 0.688 176.977 176.300 -0.019 0.000 1.056 377 R CA 0.455 56.544 56.100 -0.018 0.000 0.901 377 R CB -0.047 30.243 30.300 -0.016 0.000 1.039 377 R HN 1.372 nan 8.270 nan 0.000 0.456 378 G N 2.649 111.438 108.800 -0.018 0.000 2.351 378 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.297 378 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.297 378 G C -0.561 174.327 174.900 -0.020 0.000 1.054 378 G CA 0.341 45.431 45.100 -0.018 0.000 1.123 378 G HN 0.861 nan 8.290 nan 0.000 0.512 379 T N -2.050 112.491 114.554 -0.021 0.000 3.291 379 T HA 0.613 4.963 4.350 -0.000 0.000 0.344 379 T C -0.180 174.506 174.700 -0.023 0.000 1.293 379 T CA -0.868 61.218 62.100 -0.023 0.000 1.108 379 T CB 2.026 70.878 68.868 -0.026 0.000 1.231 379 T HN 0.507 nan 8.240 nan 0.000 0.474 380 R N 1.170 121.657 120.500 -0.022 0.000 2.688 380 R HA 0.272 4.612 4.340 -0.000 0.000 0.396 380 R C 0.316 176.603 176.300 -0.022 0.000 1.081 380 R CA -0.546 55.541 56.100 -0.023 0.000 1.093 380 R CB 0.060 30.347 30.300 -0.021 0.000 1.338 380 R HN 0.467 nan 8.270 nan 0.000 0.613 381 R N -0.109 120.378 120.500 -0.023 0.000 2.715 381 R HA -0.047 4.293 4.340 -0.000 0.000 0.266 381 R C -0.536 175.753 176.300 -0.019 0.000 0.981 381 R CA 1.096 57.184 56.100 -0.020 0.000 1.105 381 R CB 0.385 30.673 30.300 -0.021 0.000 0.953 381 R HN 0.157 nan 8.270 nan 0.000 0.432 382 T N 1.524 116.069 114.554 -0.016 0.000 3.201 382 T HA 0.128 4.478 4.350 -0.000 0.000 0.338 382 T C -0.858 173.836 174.700 -0.010 0.000 1.095 382 T CA -0.398 61.692 62.100 -0.016 0.000 1.426 382 T CB 0.718 69.572 68.868 -0.023 0.000 0.956 382 T HN 0.376 nan 8.240 nan 0.000 0.551 383 V N 3.486 123.401 119.914 0.003 0.000 2.546 383 V HA 0.535 4.655 4.120 -0.000 0.000 0.284 383 V C 0.195 176.277 176.094 -0.020 0.000 1.050 383 V CA -0.381 61.927 62.300 0.013 0.000 0.981 383 V CB 1.534 33.400 31.823 0.071 0.000 0.990 383 V HN 0.810 nan 8.190 nan 0.000 0.474 384 Q N 5.007 124.795 119.800 -0.020 0.000 2.314 384 Q HA 0.358 4.698 4.340 -0.000 0.000 0.258 384 Q C -0.153 175.820 176.000 -0.046 0.000 0.954 384 Q CA -0.165 55.617 55.803 -0.034 0.000 0.890 384 Q CB 1.118 29.848 28.738 -0.013 0.000 1.210 384 Q HN 0.902 nan 8.270 nan 0.000 0.410 385 M N 4.524 124.074 119.600 -0.084 0.000 2.211 385 M HA 0.211 4.691 4.480 -0.000 0.000 0.356 385 M C -1.406 174.883 176.300 -0.019 0.000 1.216 385 M CA 0.305 55.525 55.300 -0.134 0.000 1.134 385 M CB 0.548 33.051 32.600 -0.162 0.000 1.564 385 M HN 0.777 nan 8.290 nan 0.000 0.463 386 D N 2.345 122.756 120.400 0.019 0.000 2.671 386 D HA 0.054 4.694 4.640 -0.000 0.000 0.273 386 D C 0.552 176.905 176.300 0.089 0.000 1.264 386 D CA -0.469 53.573 54.000 0.070 0.000 0.788 386 D CB -0.069 40.747 40.800 0.027 0.000 1.324 386 D HN 0.859 nan 8.370 nan 0.000 0.424 387 H N -0.891 118.265 119.070 0.143 0.000 2.526 387 H HA -0.193 4.363 4.556 -0.000 0.000 0.294 387 H C 0.797 176.237 175.328 0.186 0.000 1.118 387 H CA 2.083 58.237 56.048 0.176 0.000 1.178 387 H CB -0.946 28.891 29.762 0.125 0.000 1.344 387 H HN 0.410 nan 8.280 nan 0.000 0.542 388 T N -0.085 114.313 114.554 -0.261 0.000 3.014 388 T HA -0.008 4.342 4.350 -0.000 0.000 0.263 388 T C 1.481 176.140 174.700 -0.068 0.000 1.078 388 T CA 0.436 62.401 62.100 -0.224 0.000 1.135 388 T CB -0.442 68.231 68.868 -0.325 0.000 0.895 388 T HN 0.341 nan 8.240 nan 0.000 0.480 389 F N 1.134 120.948 119.950 -0.228 0.000 2.102 389 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 389 F C -0.077 175.411 175.800 -0.519 0.000 1.105 389 F CA 1.015 58.754 58.000 -0.435 0.000 1.239 389 F CB 0.092 38.729 39.000 -0.605 0.000 0.991 389 F HN 0.079 nan 8.300 nan 0.000 0.474 390 F N 1.741 121.800 119.950 0.180 0.000 2.293 390 F HA 0.327 4.854 4.527 -0.000 0.000 0.370 390 F C -1.443 174.400 175.800 0.070 0.000 1.090 390 F CA -2.754 55.310 58.000 0.107 0.000 1.133 390 F CB -0.015 39.079 39.000 0.156 0.000 1.360 390 F HN -0.166 nan 8.300 nan 0.000 0.489 391 P HA 0.054 nan 4.420 nan 0.000 0.215 391 P C 0.628 178.004 177.300 0.126 0.000 1.157 391 P CA 1.099 64.255 63.100 0.094 0.000 0.859 391 P CB 0.642 32.352 31.700 0.016 0.000 0.786 392 G N -2.003 106.879 108.800 0.135 0.000 2.870 392 G HA2 0.326 4.286 3.960 -0.000 0.000 0.299 392 G HA3 0.326 4.286 3.960 -0.000 0.000 0.299 392 G C -1.793 173.221 174.900 0.190 0.000 1.324 392 G CA -0.587 44.603 45.100 0.150 0.000 0.808 392 G HN -0.002 nan 8.290 nan 0.000 0.535 393 Y N 1.443 121.779 120.300 0.061 0.000 2.605 393 Y HA 0.322 4.872 4.550 -0.000 0.000 0.336 393 Y C 1.542 177.484 175.900 0.070 0.000 1.111 393 Y CA 0.266 58.400 58.100 0.056 0.000 1.422 393 Y CB -0.031 38.452 38.460 0.038 0.000 1.193 393 Y HN 0.662 nan 8.280 nan 0.000 0.526 394 R N 2.999 123.333 120.500 -0.277 0.000 3.416 394 R HA -0.250 4.090 4.340 -0.000 0.000 0.263 394 R C -0.753 175.502 176.300 -0.075 0.000 1.053 394 R CA 1.139 57.077 56.100 -0.271 0.000 0.705 394 R CB -0.944 28.996 30.300 -0.601 0.000 1.124 394 R HN 0.665 nan 8.270 nan 0.000 0.444 395 K N -0.627 119.795 120.400 0.037 0.000 2.328 395 K HA 0.481 4.801 4.320 -0.000 0.000 0.246 395 K C 0.418 177.021 176.600 0.004 0.000 0.955 395 K CA -0.322 55.974 56.287 0.015 0.000 0.817 395 K CB 2.071 34.573 32.500 0.004 0.000 1.208 395 K HN 0.169 nan 8.250 nan 0.000 0.432 396 T N -2.495 111.981 114.554 -0.130 0.000 2.633 396 T HA 0.357 4.707 4.350 -0.000 0.000 0.262 396 T C 1.146 175.543 174.700 -0.505 0.000 0.920 396 T CA -0.896 60.955 62.100 -0.415 0.000 1.062 396 T CB 0.162 68.660 68.868 -0.617 0.000 1.390 396 T HN 0.364 nan 8.240 nan 0.000 0.549 397 L N 0.050 120.752 121.223 -0.870 0.000 2.240 397 L HA 0.235 4.575 4.340 -0.000 0.000 0.211 397 L C 0.813 177.468 176.870 -0.358 0.000 1.106 397 L CA 0.119 54.606 54.840 -0.588 0.000 0.793 397 L CB -0.442 41.198 42.059 -0.698 0.000 0.927 397 L HN 0.441 nan 8.230 nan 0.000 0.446 398 L N 1.467 122.486 121.223 -0.340 0.000 2.628 398 L HA -0.094 4.246 4.340 -0.000 0.000 0.292 398 L C 1.070 177.862 176.870 -0.130 0.000 1.250 398 L CA 0.602 55.334 54.840 -0.180 0.000 0.892 398 L CB 0.009 41.988 42.059 -0.133 0.000 1.138 398 L HN 0.327 nan 8.230 nan 0.000 0.502 399 S N 4.177 119.820 115.700 -0.094 0.000 2.645 399 S HA 0.337 4.807 4.470 -0.000 0.000 0.266 399 S C -1.654 172.913 174.600 -0.055 0.000 1.258 399 S CA -1.180 56.978 58.200 -0.070 0.000 0.990 399 S CB 1.256 64.421 63.200 -0.058 0.000 0.967 399 S HN 0.477 nan 8.310 nan 0.000 0.556 400 P HA -0.004 nan 4.420 nan 0.000 0.220 400 P C 0.394 177.679 177.300 -0.025 0.000 1.148 400 P CA 1.037 64.120 63.100 -0.028 0.000 0.803 400 P CB -0.148 31.542 31.700 -0.016 0.000 0.782 401 E N -0.836 119.347 120.200 -0.028 0.000 2.489 401 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 401 E C 0.346 176.927 176.600 -0.031 0.000 1.057 401 E CA 0.127 56.511 56.400 -0.026 0.000 0.866 401 E CB -0.496 29.188 29.700 -0.026 0.000 0.916 401 E HN 0.368 nan 8.360 nan 0.000 0.500 402 E N 0.869 121.046 120.200 -0.037 0.000 2.331 402 E HA 0.363 4.713 4.350 -0.000 0.000 0.272 402 E C -0.133 176.444 176.600 -0.038 0.000 1.036 402 E CA -0.462 55.914 56.400 -0.039 0.000 0.864 402 E CB 0.844 30.516 29.700 -0.047 0.000 1.035 402 E HN 0.226 nan 8.360 nan 0.000 0.408 403 I N -0.332 120.217 120.570 -0.036 0.000 2.957 403 I HA 0.442 4.612 4.170 -0.000 0.000 0.310 403 I C -1.152 174.947 176.117 -0.030 0.000 1.063 403 I CA -1.374 59.904 61.300 -0.037 0.000 1.033 403 I CB 1.097 39.073 38.000 -0.041 0.000 1.230 403 I HN 0.277 nan 8.210 nan 0.000 0.447 404 L N 3.544 124.750 121.223 -0.029 0.000 2.260 404 L HA 0.382 4.722 4.340 -0.000 0.000 0.289 404 L C 0.214 177.061 176.870 -0.040 0.000 1.057 404 L CA 0.006 54.830 54.840 -0.027 0.000 0.811 404 L CB 1.039 43.085 42.059 -0.021 0.000 1.184 404 L HN 0.874 nan 8.230 nan 0.000 0.429 405 L N 3.863 125.061 121.223 -0.041 0.000 2.022 405 L HA 0.210 4.550 4.340 -0.000 0.000 0.204 405 L C 0.586 177.423 176.870 -0.055 0.000 1.076 405 L CA 1.452 56.264 54.840 -0.045 0.000 0.749 405 L CB 0.054 42.087 42.059 -0.043 0.000 0.903 405 L HN 0.894 nan 8.230 nan 0.000 0.439 406 S N -1.794 113.867 115.700 -0.067 0.000 2.533 406 S HA 0.464 4.934 4.470 -0.000 0.000 0.271 406 S C -0.833 173.700 174.600 -0.111 0.000 1.143 406 S CA -0.899 57.253 58.200 -0.080 0.000 0.891 406 S CB 1.339 64.492 63.200 -0.078 0.000 1.105 406 S HN 0.006 nan 8.310 nan 0.000 0.468 407 I N 1.547 122.040 120.570 -0.130 0.000 2.577 407 I HA 0.564 4.734 4.170 -0.000 0.000 0.300 407 I C 0.050 176.090 176.117 -0.128 0.000 0.990 407 I CA -0.286 60.901 61.300 -0.189 0.000 1.283 407 I CB 1.418 39.213 38.000 -0.342 0.000 1.411 407 I HN 0.949 nan 8.210 nan 0.000 0.515 408 E N 6.486 126.602 120.200 -0.140 0.000 2.283 408 E HA 0.396 4.746 4.350 -0.000 0.000 0.258 408 E C -1.486 175.064 176.600 -0.085 0.000 0.893 408 E CA -0.493 55.837 56.400 -0.117 0.000 0.798 408 E CB 0.935 30.564 29.700 -0.117 0.000 1.242 408 E HN 0.491 nan 8.360 nan 0.000 0.414 409 I N 6.808 127.336 120.570 -0.069 0.000 2.352 409 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 409 I C -2.041 174.046 176.117 -0.050 0.000 1.036 409 I CA -1.963 59.310 61.300 -0.046 0.000 1.336 409 I CB 1.095 39.016 38.000 -0.131 0.000 1.407 409 I HN 0.420 nan 8.210 nan 0.000 0.497 410 P HA 0.207 nan 4.420 nan 0.000 0.286 410 P C -1.169 176.274 177.300 0.238 0.000 1.261 410 P CA -0.421 62.734 63.100 0.093 0.000 0.821 410 P CB 0.443 32.204 31.700 0.101 0.000 1.013 411 Y N -0.255 120.183 120.300 0.230 0.000 2.426 411 Y HA 0.183 4.733 4.550 -0.000 0.000 0.344 411 Y C 1.747 177.674 175.900 0.045 0.000 1.256 411 Y CA 0.297 58.427 58.100 0.050 0.000 1.451 411 Y CB 0.228 38.652 38.460 -0.060 0.000 1.342 411 Y HN 0.274 nan 8.280 nan 0.000 0.600 412 S N 2.326 118.126 115.700 0.167 0.000 2.457 412 S HA 0.455 4.925 4.470 -0.000 0.000 0.289 412 S C -0.250 174.349 174.600 -0.002 0.000 1.163 412 S CA -1.044 57.200 58.200 0.072 0.000 1.078 412 S CB 0.343 63.577 63.200 0.057 0.000 0.987 412 S HN 0.645 nan 8.310 nan 0.000 0.482 413 R N 2.050 122.531 120.500 -0.032 0.000 2.863 413 R HA 0.183 4.523 4.340 -0.000 0.000 0.273 413 R C -0.046 176.176 176.300 -0.130 0.000 1.057 413 R CA -0.503 55.556 56.100 -0.069 0.000 1.191 413 R CB 0.204 30.469 30.300 -0.059 0.000 1.104 413 R HN 0.596 nan 8.270 nan 0.000 0.519 414 E N 1.059 121.192 120.200 -0.112 0.000 2.292 414 E HA 0.064 4.414 4.350 -0.000 0.000 0.265 414 E C 0.575 177.080 176.600 -0.158 0.000 1.093 414 E CA 0.602 56.931 56.400 -0.118 0.000 0.922 414 E CB 0.558 30.218 29.700 -0.066 0.000 1.001 414 E HN 0.793 nan 8.360 nan 0.000 0.444 415 G N 3.741 112.381 108.800 -0.268 0.000 2.272 415 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.280 415 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.280 415 G C 0.094 174.625 174.900 -0.616 0.000 1.067 415 G CA 0.548 45.402 45.100 -0.410 0.000 0.902 415 G HN 0.474 nan 8.290 nan 0.000 0.500 416 E N -0.555 119.169 120.200 -0.793 0.000 2.187 416 E HA 0.680 5.030 4.350 -0.000 0.000 0.268 416 E C -0.774 175.412 176.600 -0.690 0.000 0.896 416 E CA -0.971 55.071 56.400 -0.597 0.000 0.766 416 E CB 1.177 30.700 29.700 -0.295 0.000 1.142 416 E HN 0.317 nan 8.360 nan 0.000 0.408 417 Y N 3.137 123.359 120.300 -0.131 0.000 2.425 417 Y HA 0.487 5.037 4.550 -0.000 0.000 0.344 417 Y C -0.853 175.102 175.900 0.092 0.000 0.969 417 Y CA -0.964 57.114 58.100 -0.036 0.000 1.052 417 Y CB 1.891 40.265 38.460 -0.142 0.000 1.215 417 Y HN 0.456 nan 8.280 nan 0.000 0.451 418 F N 2.185 122.251 119.950 0.192 0.000 2.573 418 F HA 0.576 5.103 4.527 -0.000 0.000 0.316 418 F C -0.827 174.941 175.800 -0.054 0.000 1.148 418 F CA -0.540 57.473 58.000 0.022 0.000 0.940 418 F CB 1.458 40.432 39.000 -0.043 0.000 1.214 418 F HN 0.524 nan 8.300 nan 0.000 0.448 419 S N 3.129 118.967 115.700 0.230 0.000 2.671 419 S HA 0.957 5.427 4.470 -0.000 0.000 0.299 419 S C -1.007 173.211 174.600 -0.636 0.000 1.116 419 S CA -0.925 57.109 58.200 -0.277 0.000 0.912 419 S CB 1.981 64.975 63.200 -0.344 0.000 1.130 419 S HN 0.787 nan 8.310 nan 0.000 0.501 420 A N 0.806 123.065 122.820 -0.935 0.000 2.422 420 A HA 0.853 5.173 4.320 -0.000 0.000 0.302 420 A C -1.479 175.491 177.584 -1.023 0.000 1.041 420 A CA -0.668 50.860 52.037 -0.849 0.000 0.708 420 A CB 0.682 19.353 19.000 -0.548 0.000 1.257 420 A HN 0.646 nan 8.150 nan 0.000 0.414 421 F N 0.683 120.387 119.950 -0.411 0.000 2.588 421 F HA 0.745 5.272 4.527 -0.000 0.000 0.314 421 F C 0.138 175.674 175.800 -0.440 0.000 1.069 421 F CA -0.672 56.992 58.000 -0.560 0.000 0.931 421 F CB 2.674 40.853 39.000 -1.368 0.000 1.260 421 F HN 0.583 nan 8.300 nan 0.000 0.465 422 K N 2.029 122.448 120.400 0.031 0.000 2.543 422 K HA 0.514 4.834 4.320 -0.000 0.000 0.255 422 K C -1.866 174.858 176.600 0.207 0.000 0.934 422 K CA -0.677 55.669 56.287 0.098 0.000 0.810 422 K CB 2.342 34.881 32.500 0.066 0.000 1.315 422 K HN 0.622 nan 8.250 nan 0.000 0.433 423 Q N 2.230 122.176 119.800 0.243 0.000 2.421 423 Q HA 0.759 5.099 4.340 -0.000 0.000 0.280 423 Q C -1.502 174.552 176.000 0.091 0.000 1.085 423 Q CA -0.028 55.875 55.803 0.166 0.000 0.807 423 Q CB 2.252 31.091 28.738 0.169 0.000 1.405 423 Q HN 0.662 nan 8.270 nan 0.000 0.419 424 A N 1.176 124.045 122.820 0.081 0.000 1.703 424 A HA 0.601 4.921 4.320 -0.000 0.000 0.211 424 A C -0.527 177.107 177.584 0.084 0.000 1.773 424 A CA 0.750 52.823 52.037 0.061 0.000 1.186 424 A CB -0.319 18.693 19.000 0.019 0.000 1.117 424 A HN 1.907 nan 8.150 nan 0.000 0.501 425 S N -0.165 115.584 115.700 0.082 0.000 2.911 425 S HA -0.014 4.456 4.470 -0.000 0.000 0.837 425 S C -0.246 174.363 174.600 0.016 0.000 0.825 425 S CA 0.631 58.864 58.200 0.055 0.000 1.489 425 S CB -1.423 61.819 63.200 0.069 0.000 1.063 425 S HN 1.985 nan 8.310 nan 0.000 0.469 426 R N 1.761 122.256 120.500 -0.008 0.000 2.080 426 R HA -0.178 4.162 4.340 -0.000 0.000 0.362 426 R C 1.172 177.462 176.300 -0.016 0.000 1.156 426 R CA 1.088 57.178 56.100 -0.017 0.000 0.964 426 R CB -0.565 29.733 30.300 -0.003 0.000 2.865 426 R HN 0.953 nan 8.270 nan 0.000 0.490 427 R N 1.671 122.123 120.500 -0.080 0.000 2.115 427 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 427 R C 0.385 176.776 176.300 0.152 0.000 1.111 427 R CA 1.540 57.541 56.100 -0.165 0.000 0.976 427 R CB -0.099 29.787 30.300 -0.690 0.000 0.870 427 R HN 0.536 nan 8.270 nan 0.000 0.445 428 E N 2.917 123.262 120.200 0.242 0.000 2.265 428 E HA 0.013 4.363 4.350 -0.000 0.000 0.272 428 E C -0.507 176.217 176.600 0.208 0.000 1.067 428 E CA -0.401 56.206 56.400 0.345 0.000 0.900 428 E CB 0.166 30.035 29.700 0.281 0.000 1.017 428 E HN 0.151 nan 8.360 nan 0.000 0.431 429 D N 2.651 123.173 120.400 0.204 0.000 4.184 429 D HA -0.219 4.421 4.640 -0.000 0.000 0.219 429 D C -1.138 175.218 176.300 0.094 0.000 0.988 429 D CA 1.363 55.436 54.000 0.123 0.000 1.191 429 D CB -0.165 40.694 40.800 0.099 0.000 0.768 429 D HN 0.551 nan 8.370 nan 0.000 0.400 430 D N 1.197 121.634 120.400 0.063 0.000 2.871 430 D HA 0.298 4.938 4.640 -0.000 0.000 0.330 430 D C -1.018 175.277 176.300 -0.009 0.000 1.364 430 D CA -0.359 53.654 54.000 0.022 0.000 0.759 430 D CB 0.255 41.076 40.800 0.036 0.000 1.325 430 D HN 0.452 nan 8.370 nan 0.000 0.452 431 I N -0.171 120.396 120.570 -0.006 0.000 2.354 431 I HA 0.709 4.879 4.170 -0.000 0.000 0.292 431 I C -0.817 175.296 176.117 -0.006 0.000 0.989 431 I CA -0.498 60.786 61.300 -0.025 0.000 1.188 431 I CB 1.451 39.420 38.000 -0.052 0.000 1.342 431 I HN 0.375 nan 8.210 nan 0.000 0.457 432 A N 6.309 129.116 122.820 -0.022 0.000 3.150 432 A HA 0.343 4.663 4.320 -0.000 0.000 0.328 432 A C 1.035 178.613 177.584 -0.010 0.000 1.104 432 A CA -0.627 51.405 52.037 -0.008 0.000 0.937 432 A CB -0.086 18.899 19.000 -0.024 0.000 1.073 432 A HN 1.016 nan 8.150 nan 0.000 0.497 433 K N -0.577 119.813 120.400 -0.017 0.000 2.413 433 K HA -0.271 4.049 4.320 -0.000 0.000 0.205 433 K C 0.093 176.670 176.600 -0.037 0.000 0.830 433 K CA 2.553 58.811 56.287 -0.049 0.000 0.991 433 K CB -0.459 31.987 32.500 -0.091 0.000 1.171 433 K HN 0.484 nan 8.250 nan 0.000 0.553 434 V N 0.001 119.925 119.914 0.017 0.000 2.555 434 V HA 0.242 4.362 4.120 -0.000 0.000 0.283 434 V C -0.674 175.555 176.094 0.226 0.000 1.020 434 V CA -0.626 61.739 62.300 0.108 0.000 0.883 434 V CB 1.589 33.447 31.823 0.058 0.000 1.030 434 V HN 0.380 nan 8.190 nan 0.000 0.448 435 T N 2.387 117.036 114.554 0.160 0.000 2.906 435 T HA 0.817 5.167 4.350 -0.000 0.000 0.295 435 T C -0.944 173.760 174.700 0.006 0.000 1.061 435 T CA -0.264 61.875 62.100 0.064 0.000 1.000 435 T CB 2.149 71.018 68.868 0.002 0.000 1.103 435 T HN 0.732 nan 8.240 nan 0.000 0.486 436 S N 1.102 116.707 115.700 -0.158 0.000 2.556 436 S HA 0.799 5.269 4.470 -0.000 0.000 0.271 436 S C -0.571 173.832 174.600 -0.329 0.000 1.135 436 S CA -0.296 57.737 58.200 -0.278 0.000 0.858 436 S CB 1.467 64.430 63.200 -0.395 0.000 1.114 436 S HN 1.243 nan 8.310 nan 0.000 0.468 437 G N 2.787 111.411 108.800 -0.294 0.000 2.530 437 G HA2 0.656 4.616 3.960 -0.000 0.000 0.316 437 G HA3 0.656 4.616 3.960 -0.000 0.000 0.316 437 G C -1.010 173.710 174.900 -0.299 0.000 1.298 437 G CA -0.657 44.338 45.100 -0.175 0.000 0.948 437 G HN 0.637 nan 8.290 nan 0.000 0.486 438 M N 2.098 121.442 119.600 -0.426 0.000 2.326 438 M HA 0.564 5.044 4.480 -0.000 0.000 0.306 438 M C -0.473 175.262 176.300 -0.942 0.000 1.054 438 M CA -0.813 54.040 55.300 -0.744 0.000 0.922 438 M CB 3.169 35.027 32.600 -1.237 0.000 1.632 438 M HN 0.481 nan 8.290 nan 0.000 0.436 439 R N 1.927 122.051 120.500 -0.626 0.000 2.574 439 R HA 0.813 5.153 4.340 -0.000 0.000 0.288 439 R C -2.326 173.914 176.300 -0.099 0.000 1.004 439 R CA -0.580 55.204 56.100 -0.527 0.000 0.895 439 R CB 2.624 32.427 30.300 -0.829 0.000 1.191 439 R HN 0.673 nan 8.270 nan 0.000 0.444 440 V N 5.555 125.441 119.914 -0.047 0.000 2.709 440 V HA 0.548 4.668 4.120 -0.000 0.000 0.308 440 V C -1.488 174.328 176.094 -0.463 0.000 1.062 440 V CA -0.858 61.317 62.300 -0.209 0.000 0.901 440 V CB 2.054 33.699 31.823 -0.296 0.000 1.003 440 V HN 0.692 nan 8.190 nan 0.000 0.425 441 L N 6.398 127.347 121.223 -0.456 0.000 2.365 441 L HA 0.722 5.062 4.340 -0.000 0.000 0.273 441 L C -1.198 175.413 176.870 -0.432 0.000 1.000 441 L CA 0.056 54.640 54.840 -0.426 0.000 0.819 441 L CB 1.687 43.626 42.059 -0.200 0.000 1.284 441 L HN 0.534 nan 8.230 nan 0.000 0.418 442 F N 2.651 122.574 119.950 -0.045 0.000 2.432 442 F HA 0.460 4.987 4.527 -0.000 0.000 0.329 442 F C 0.604 176.399 175.800 -0.009 0.000 1.076 442 F CA -0.931 57.064 58.000 -0.009 0.000 1.018 442 F CB 1.217 40.214 39.000 -0.005 0.000 1.201 442 F HN 0.343 nan 8.300 nan 0.000 0.489 443 K N 4.326 124.874 120.400 0.247 0.000 2.419 443 K HA 0.105 4.425 4.320 -0.000 0.000 0.282 443 K C -2.355 174.309 176.600 0.106 0.000 1.056 443 K CA -1.434 54.932 56.287 0.132 0.000 1.035 443 K CB 0.347 32.912 32.500 0.108 0.000 0.921 443 K HN 0.203 nan 8.250 nan 0.000 0.472 444 P HA 0.053 nan 4.420 nan 0.000 0.274 444 P C 0.367 177.691 177.300 0.039 0.000 1.237 444 P CA 0.187 63.320 63.100 0.056 0.000 0.793 444 P CB 0.758 32.474 31.700 0.027 0.000 0.977 445 G N 0.265 109.085 108.800 0.033 0.000 2.175 445 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.265 445 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.265 445 G C 0.204 175.106 174.900 0.002 0.000 0.979 445 G CA 0.828 45.938 45.100 0.017 0.000 0.663 445 G HN 0.994 nan 8.290 nan 0.000 0.533 446 T N -3.442 111.109 114.554 -0.005 0.000 2.843 446 T HA 0.653 5.003 4.350 -0.000 0.000 0.302 446 T C -0.004 174.605 174.700 -0.153 0.000 1.232 446 T CA 0.409 62.476 62.100 -0.056 0.000 1.009 446 T CB 1.831 70.677 68.868 -0.036 0.000 1.254 446 T HN 1.229 nan 8.240 nan 0.000 0.504 447 T N -0.250 114.114 114.554 -0.317 0.000 2.903 447 T HA 0.350 4.700 4.350 -0.000 0.000 0.314 447 T C 0.466 174.986 174.700 -0.299 0.000 1.078 447 T CA 1.046 62.745 62.100 -0.668 0.000 1.114 447 T CB 0.394 68.935 68.868 -0.545 0.000 0.987 447 T HN 0.992 nan 8.240 nan 0.000 0.548 448 E N 1.224 121.327 120.200 -0.162 0.000 2.324 448 E HA 0.184 4.534 4.350 -0.000 0.000 0.279 448 E C -1.090 175.732 176.600 0.369 0.000 1.081 448 E CA 0.248 56.733 56.400 0.142 0.000 2.045 448 E CB 0.244 30.017 29.700 0.122 0.000 2.820 448 E HN 0.589 nan 8.360 nan 0.000 1.085 449 V N 2.475 122.728 119.914 0.565 0.000 3.440 449 V HA -0.121 3.999 4.120 -0.000 0.000 0.390 449 V C 0.397 176.624 176.094 0.223 0.000 0.641 449 V CA 0.357 62.921 62.300 0.440 0.000 1.837 449 V CB 0.112 32.172 31.823 0.395 0.000 2.314 449 V HN 0.386 nan 8.190 nan 0.000 0.481 450 Q N 1.406 121.302 119.800 0.161 0.000 1.941 450 Q HA 0.040 4.380 4.340 -0.000 0.000 0.201 450 Q C 0.821 176.852 176.000 0.051 0.000 0.982 450 Q CA 1.744 57.597 55.803 0.083 0.000 0.839 450 Q CB 0.339 29.110 28.738 0.054 0.000 0.904 450 Q HN 0.853 nan 8.270 nan 0.000 0.427 451 E N -0.449 119.754 120.200 0.005 0.000 2.212 451 E HA 0.530 4.880 4.350 -0.000 0.000 0.268 451 E C -1.447 175.155 176.600 0.003 0.000 0.902 451 E CA -0.420 55.979 56.400 -0.002 0.000 0.779 451 E CB 1.837 31.517 29.700 -0.033 0.000 1.172 451 E HN 0.062 nan 8.360 nan 0.000 0.409 452 L N 2.142 123.388 121.223 0.039 0.000 2.464 452 L HA 0.809 5.149 4.340 -0.000 0.000 0.266 452 L C -1.952 174.950 176.870 0.054 0.000 0.965 452 L CA -0.289 54.595 54.840 0.074 0.000 0.833 452 L CB 1.827 43.987 42.059 0.169 0.000 1.296 452 L HN 0.612 nan 8.230 nan 0.000 0.405 453 A N 5.596 128.433 122.820 0.028 0.000 2.459 453 A HA 0.779 5.099 4.320 -0.000 0.000 0.296 453 A C -1.895 175.662 177.584 -0.045 0.000 1.039 453 A CA -0.415 51.620 52.037 -0.004 0.000 0.698 453 A CB 1.424 20.406 19.000 -0.029 0.000 1.261 453 A HN 0.625 nan 8.150 nan 0.000 0.405 454 L N 1.997 123.216 121.223 -0.007 0.000 2.377 454 L HA 0.419 4.759 4.340 -0.000 0.000 0.270 454 L C -1.067 175.750 176.870 -0.087 0.000 0.991 454 L CA -0.419 54.387 54.840 -0.056 0.000 0.851 454 L CB 1.460 43.585 42.059 0.110 0.000 1.218 454 L HN 0.725 nan 8.230 nan 0.000 0.420 455 C N 2.657 121.815 119.300 -0.238 0.000 2.379 455 C HA 0.596 5.056 4.460 -0.000 0.000 0.323 455 C C -0.457 174.385 174.990 -0.246 0.000 1.262 455 C CA -0.725 58.218 59.018 -0.125 0.000 1.581 455 C CB 0.830 28.530 27.740 -0.067 0.000 2.221 455 C HN 0.511 nan 8.230 nan 0.000 0.497 456 Y N 1.127 121.436 120.300 0.015 0.000 2.331 456 Y HA 0.549 5.099 4.550 -0.000 0.000 0.334 456 Y C 0.783 176.674 175.900 -0.016 0.000 0.960 456 Y CA -0.129 57.977 58.100 0.011 0.000 1.130 456 Y CB 1.535 40.013 38.460 0.031 0.000 1.164 456 Y HN 0.844 nan 8.280 nan 0.000 0.458 457 G N 0.432 109.305 108.800 0.122 0.000 2.377 457 G HA2 0.455 4.415 3.960 -0.000 0.000 0.299 457 G HA3 0.455 4.415 3.960 -0.000 0.000 0.299 457 G C 0.713 175.647 174.900 0.057 0.000 1.150 457 G CA -0.076 45.052 45.100 0.046 0.000 0.847 457 G HN 1.169 nan 8.290 nan 0.000 0.501 458 G N 1.143 109.948 108.800 0.008 0.000 2.176 458 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.232 458 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.232 458 G C 1.128 175.999 174.900 -0.049 0.000 0.986 458 G CA 0.609 45.694 45.100 -0.025 0.000 0.643 458 G HN 0.512 nan 8.290 nan 0.000 0.522 459 M N -0.043 119.539 119.600 -0.029 0.000 2.492 459 M HA 0.544 5.024 4.480 -0.000 0.000 0.255 459 M C 1.391 177.650 176.300 -0.068 0.000 1.139 459 M CA 1.355 56.612 55.300 -0.072 0.000 1.096 459 M CB 0.196 32.731 32.600 -0.109 0.000 1.360 459 M HN 0.711 nan 8.290 nan 0.000 0.480 460 A N -0.019 122.778 122.820 -0.039 0.000 3.886 460 A HA 0.459 4.779 4.320 -0.000 0.000 0.217 460 A C 0.758 178.324 177.584 -0.029 0.000 0.876 460 A CA -0.308 51.707 52.037 -0.037 0.000 0.726 460 A CB 0.090 19.087 19.000 -0.006 0.000 1.479 460 A HN 0.111 nan 8.150 nan 0.000 0.792 461 N N 0.044 118.745 118.700 0.001 0.000 2.223 461 N HA -0.018 4.722 4.740 -0.000 0.000 0.185 461 N C 0.421 175.993 175.510 0.102 0.000 1.016 461 N CA 1.514 54.595 53.050 0.052 0.000 0.863 461 N CB -0.288 38.254 38.487 0.091 0.000 0.983 461 N HN 0.582 nan 8.380 nan 0.000 0.429 462 R N -3.016 117.521 120.500 0.062 0.000 2.902 462 R HA 0.397 4.737 4.340 -0.000 0.000 0.264 462 R C -0.948 175.334 176.300 -0.029 0.000 1.059 462 R CA -0.758 55.355 56.100 0.022 0.000 0.935 462 R CB -0.041 30.317 30.300 0.096 0.000 1.325 462 R HN -0.339 nan 8.270 nan 0.000 0.438 463 T N 3.002 117.456 114.554 -0.167 0.000 2.750 463 T HA 0.287 4.637 4.350 -0.000 0.000 0.286 463 T C 0.375 175.102 174.700 0.045 0.000 0.911 463 T CA -0.341 61.680 62.100 -0.132 0.000 1.130 463 T CB -0.327 68.324 68.868 -0.361 0.000 0.873 463 T HN 0.390 nan 8.240 nan 0.000 0.536 464 I N 0.234 120.859 120.570 0.092 0.000 2.822 464 I HA 0.744 4.914 4.170 -0.000 0.000 0.312 464 I C -0.031 176.185 176.117 0.165 0.000 1.011 464 I CA -0.839 60.546 61.300 0.142 0.000 1.105 464 I CB 1.938 40.010 38.000 0.121 0.000 1.291 464 I HN 0.385 nan 8.210 nan 0.000 0.474 465 S N 2.317 118.108 115.700 0.152 0.000 2.565 465 S HA 0.577 5.047 4.470 -0.000 0.000 0.290 465 S C 1.190 175.849 174.600 0.098 0.000 1.150 465 S CA 0.108 58.380 58.200 0.120 0.000 1.058 465 S CB 1.508 64.767 63.200 0.099 0.000 1.032 465 S HN 0.944 nan 8.310 nan 0.000 0.510 466 A N 3.701 126.590 122.820 0.114 0.000 1.984 466 A HA -0.260 4.060 4.320 -0.000 0.000 0.224 466 A C 1.929 179.537 177.584 0.041 0.000 1.256 466 A CA 2.705 54.804 52.037 0.103 0.000 0.679 466 A CB -1.393 17.654 19.000 0.078 0.000 0.829 466 A HN 1.137 nan 8.150 nan 0.000 0.483 467 L N -2.351 118.869 121.223 -0.005 0.000 2.131 467 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 467 L C 1.920 178.777 176.870 -0.022 0.000 1.092 467 L CA 2.185 57.007 54.840 -0.030 0.000 0.759 467 L CB -1.048 40.946 42.059 -0.109 0.000 0.903 467 L HN 0.248 nan 8.230 nan 0.000 0.435 468 K N 0.328 120.715 120.400 -0.022 0.000 2.001 468 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 468 K C 2.036 178.630 176.600 -0.010 0.000 1.050 468 K CA 2.402 58.680 56.287 -0.015 0.000 0.934 468 K CB -0.599 31.893 32.500 -0.013 0.000 0.718 468 K HN 0.532 nan 8.250 nan 0.000 0.443 469 T N 0.488 115.035 114.554 -0.011 0.000 2.652 469 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 469 T C 2.000 176.693 174.700 -0.011 0.000 1.039 469 T CA 1.920 64.007 62.100 -0.021 0.000 1.153 469 T CB -0.616 68.232 68.868 -0.033 0.000 0.863 469 T HN 0.278 nan 8.240 nan 0.000 0.428 470 T N 1.395 115.953 114.554 0.008 0.000 2.570 470 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 470 T C 1.975 176.692 174.700 0.029 0.000 1.071 470 T CA 1.948 64.066 62.100 0.029 0.000 1.172 470 T CB -0.485 68.407 68.868 0.040 0.000 0.864 470 T HN 0.330 nan 8.240 nan 0.000 0.421 471 Q N 0.978 120.789 119.800 0.017 0.000 1.817 471 Q HA -0.257 4.083 4.340 -0.000 0.000 0.290 471 Q C 2.152 178.166 176.000 0.023 0.000 1.048 471 Q CA 2.681 58.495 55.803 0.019 0.000 0.889 471 Q CB -0.564 28.179 28.738 0.009 0.000 0.991 471 Q HN 0.512 nan 8.270 nan 0.000 0.416 472 R N -0.749 119.760 120.500 0.014 0.000 2.279 472 R HA -0.307 4.033 4.340 -0.000 0.000 0.264 472 R C 1.632 177.946 176.300 0.023 0.000 1.138 472 R CA 2.219 58.328 56.100 0.014 0.000 0.981 472 R CB -0.431 29.871 30.300 0.003 0.000 0.909 472 R HN 0.423 nan 8.270 nan 0.000 0.462 473 Q N 0.197 120.014 119.800 0.028 0.000 2.482 473 Q HA 0.073 4.413 4.340 -0.000 0.000 0.209 473 Q C 0.347 176.396 176.000 0.082 0.000 0.961 473 Q CA 0.342 56.171 55.803 0.044 0.000 0.945 473 Q CB -0.049 28.711 28.738 0.036 0.000 1.012 473 Q HN 0.406 nan 8.270 nan 0.000 0.515 474 L N 1.954 123.222 121.223 0.075 0.000 2.319 474 L HA 0.021 4.361 4.340 -0.000 0.000 0.280 474 L C 0.008 176.930 176.870 0.087 0.000 1.099 474 L CA 0.081 54.974 54.840 0.088 0.000 0.828 474 L CB 0.504 42.602 42.059 0.066 0.000 1.150 474 L HN 0.285 nan 8.230 nan 0.000 0.442 475 S N 1.624 117.392 115.700 0.112 0.000 3.524 475 S HA -0.230 4.240 4.470 -0.000 0.000 0.377 475 S C 0.035 174.691 174.600 0.094 0.000 0.949 475 S CA 1.039 59.304 58.200 0.109 0.000 1.264 475 S CB -1.753 61.498 63.200 0.085 0.000 0.918 475 S HN 0.768 nan 8.310 nan 0.000 0.517 476 K N 0.013 120.481 120.400 0.113 0.000 2.443 476 K HA 0.836 5.156 4.320 -0.000 0.000 0.284 476 K C -0.065 176.602 176.600 0.113 0.000 0.992 476 K CA -0.874 55.469 56.287 0.094 0.000 1.292 476 K CB 0.341 32.884 32.500 0.072 0.000 1.705 476 K HN 0.241 nan 8.250 nan 0.000 0.778 477 L N 0.141 121.421 121.223 0.094 0.000 2.422 477 L HA 0.275 4.615 4.340 -0.000 0.000 0.264 477 L C -1.111 175.825 176.870 0.110 0.000 0.984 477 L CA -0.491 54.405 54.840 0.093 0.000 0.819 477 L CB 1.786 43.871 42.059 0.044 0.000 1.330 477 L HN 0.506 nan 8.230 nan 0.000 0.410 478 W N 5.134 126.382 121.300 -0.087 0.000 2.688 478 W HA 0.209 4.869 4.660 0.000 0.000 0.402 478 W C -0.267 176.189 176.519 -0.106 0.000 1.188 478 W CA 0.355 57.613 57.345 -0.145 0.000 1.561 478 W CB 0.259 29.572 29.460 -0.245 0.000 1.653 478 W HN 0.518 nan 8.180 nan 0.000 0.442 479 K N 1.852 122.227 120.400 -0.043 0.000 2.607 479 K HA -0.045 4.275 4.320 -0.000 0.000 0.287 479 K C 0.684 177.386 176.600 0.170 0.000 0.996 479 K CA -0.704 55.649 56.287 0.109 0.000 0.876 479 K CB 1.905 34.452 32.500 0.079 0.000 1.496 479 K HN 0.051 nan 8.250 nan 0.000 0.415 480 E N 1.243 121.558 120.200 0.192 0.000 2.113 480 E HA -0.261 4.089 4.350 -0.000 0.000 0.210 480 E C 0.517 177.183 176.600 0.110 0.000 1.040 480 E CA 2.246 58.737 56.400 0.153 0.000 0.847 480 E CB 0.143 29.905 29.700 0.103 0.000 0.755 480 E HN 0.492 nan 8.360 nan 0.000 0.459 481 E N -0.908 119.338 120.200 0.077 0.000 2.502 481 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 481 E C 1.539 178.160 176.600 0.035 0.000 1.062 481 E CA 0.205 56.635 56.400 0.050 0.000 0.867 481 E CB 0.057 29.780 29.700 0.038 0.000 0.888 481 E HN 0.299 nan 8.360 nan 0.000 0.510 482 L N 0.221 121.464 121.223 0.034 0.000 2.095 482 L HA -0.015 4.325 4.340 -0.000 0.000 0.204 482 L C 1.820 178.708 176.870 0.030 0.000 1.080 482 L CA 1.106 55.939 54.840 -0.011 0.000 0.759 482 L CB -0.215 41.777 42.059 -0.110 0.000 0.914 482 L HN 0.186 nan 8.230 nan 0.000 0.439 483 L N -0.291 121.017 121.223 0.141 0.000 2.131 483 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 483 L C 2.383 179.326 176.870 0.122 0.000 1.092 483 L CA 1.710 56.678 54.840 0.214 0.000 0.759 483 L CB -0.937 41.159 42.059 0.061 0.000 0.903 483 L HN 0.433 nan 8.230 nan 0.000 0.435 484 Q N -0.794 119.052 119.800 0.077 0.000 2.049 484 Q HA -0.179 4.161 4.340 -0.000 0.000 0.198 484 Q C 1.920 177.929 176.000 0.016 0.000 0.971 484 Q CA 1.603 57.440 55.803 0.057 0.000 0.833 484 Q CB -0.477 28.289 28.738 0.046 0.000 0.896 484 Q HN 0.540 nan 8.270 nan 0.000 0.434 485 D N 0.436 120.833 120.400 -0.005 0.000 2.178 485 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 485 D C 1.964 178.222 176.300 -0.070 0.000 0.974 485 D CA 0.373 54.356 54.000 -0.027 0.000 0.841 485 D CB 0.310 41.099 40.800 -0.019 0.000 0.953 485 D HN -0.026 nan 8.370 nan 0.000 0.478 486 V N 0.364 120.198 119.914 -0.133 0.000 2.237 486 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 486 V C 2.790 178.759 176.094 -0.208 0.000 1.046 486 V CA 1.732 63.864 62.300 -0.280 0.000 1.007 486 V CB -0.803 30.619 31.823 -0.667 0.000 0.638 486 V HN 0.328 nan 8.190 nan 0.000 0.445 487 C N 0.672 119.890 119.300 -0.136 0.000 2.422 487 C HA 0.066 4.526 4.460 -0.000 0.000 0.286 487 C C 2.976 177.944 174.990 -0.037 0.000 1.412 487 C CA 0.314 59.290 59.018 -0.070 0.000 1.786 487 C CB -1.715 26.028 27.740 0.005 0.000 1.835 487 C HN 0.625 nan 8.230 nan 0.000 0.533 488 A N 0.766 123.568 122.820 -0.030 0.000 1.968 488 A HA 0.214 4.534 4.320 -0.000 0.000 0.217 488 A C 2.317 179.882 177.584 -0.031 0.000 1.169 488 A CA 1.767 53.794 52.037 -0.018 0.000 0.638 488 A CB -0.696 18.296 19.000 -0.013 0.000 0.812 488 A HN 0.546 nan 8.150 nan 0.000 0.446 489 G N -1.044 107.728 108.800 -0.047 0.000 2.719 489 G HA2 0.167 4.127 3.960 -0.000 0.000 0.211 489 G HA3 0.167 4.127 3.960 -0.000 0.000 0.211 489 G C 1.354 176.224 174.900 -0.050 0.000 1.140 489 G CA 0.246 45.319 45.100 -0.045 0.000 0.790 489 G HN 0.356 nan 8.290 nan 0.000 0.529 490 L N 0.607 121.789 121.223 -0.068 0.000 2.191 490 L HA -0.026 4.314 4.340 -0.000 0.000 0.212 490 L C 3.091 179.919 176.870 -0.069 0.000 1.103 490 L CA 1.094 55.890 54.840 -0.073 0.000 0.769 490 L CB -0.106 41.904 42.059 -0.081 0.000 0.908 490 L HN 0.326 nan 8.230 nan 0.000 0.438 491 A N -0.628 122.166 122.820 -0.043 0.000 2.044 491 A HA -0.115 4.205 4.320 -0.000 0.000 0.213 491 A C 2.203 179.795 177.584 0.012 0.000 1.169 491 A CA 0.790 52.817 52.037 -0.017 0.000 0.724 491 A CB -0.095 18.900 19.000 -0.008 0.000 0.840 491 A HN 0.442 nan 8.150 nan 0.000 0.463 492 E N 0.292 120.486 120.200 -0.010 0.000 2.014 492 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 492 E C 1.869 178.480 176.600 0.018 0.000 0.980 492 E CA 1.118 57.510 56.400 -0.013 0.000 0.807 492 E CB -0.334 29.349 29.700 -0.029 0.000 0.770 492 E HN 0.598 nan 8.360 nan 0.000 0.451 493 E N 0.068 120.267 120.200 -0.001 0.000 2.035 493 E HA -0.202 4.148 4.350 -0.000 0.000 0.204 493 E C 0.930 177.535 176.600 0.008 0.000 1.025 493 E CA 1.675 58.075 56.400 -0.000 0.000 0.835 493 E CB -0.083 29.610 29.700 -0.012 0.000 0.764 493 E HN 0.274 nan 8.360 nan 0.000 0.457 494 L N 1.498 122.708 121.223 -0.021 0.000 2.998 494 L HA 0.160 4.500 4.340 -0.000 0.000 0.234 494 L C 0.473 177.326 176.870 -0.028 0.000 1.350 494 L CA -0.070 54.737 54.840 -0.056 0.000 1.202 494 L CB -0.071 41.899 42.059 -0.149 0.000 1.583 494 L HN 0.212 nan 8.230 nan 0.000 0.456 495 H N 1.260 120.293 119.070 -0.061 0.000 2.562 495 H HA 0.370 4.926 4.556 -0.000 0.000 0.352 495 H C -0.837 174.463 175.328 -0.046 0.000 1.125 495 H CA -0.531 55.486 56.048 -0.050 0.000 1.379 495 H CB 1.139 30.881 29.762 -0.034 0.000 1.464 495 H HN 0.175 nan 8.280 nan 0.000 0.563 496 L N 6.985 127.794 121.223 -0.690 0.000 2.296 496 L HA 0.296 4.636 4.340 -0.000 0.000 0.286 496 L C -2.005 174.442 176.870 -0.705 0.000 1.023 496 L CA -2.085 52.416 54.840 -0.564 0.000 0.812 496 L CB 1.878 43.767 42.059 -0.284 0.000 1.223 496 L HN 0.582 nan 8.230 nan 0.000 0.421 497 P HA 0.175 nan 4.420 nan 0.000 0.271 497 P C -2.384 174.864 177.300 -0.087 0.000 1.216 497 P CA -1.400 61.608 63.100 -0.153 0.000 0.776 497 P CB 0.397 32.056 31.700 -0.070 0.000 0.881 498 P HA -0.097 nan 4.420 nan 0.000 0.229 498 P C 0.743 178.063 177.300 0.033 0.000 1.160 498 P CA 1.034 64.139 63.100 0.009 0.000 0.777 498 P CB -0.190 31.532 31.700 0.037 0.000 0.814 499 D N -0.532 119.885 120.400 0.029 0.000 2.348 499 D HA 0.039 4.679 4.640 -0.000 0.000 0.216 499 D C 0.708 177.024 176.300 0.027 0.000 0.970 499 D CA -0.120 53.910 54.000 0.050 0.000 0.889 499 D CB -0.615 40.215 40.800 0.049 0.000 0.912 499 D HN 0.035 nan 8.370 nan 0.000 0.524 500 A N 1.513 124.319 122.820 -0.023 0.000 2.609 500 A HA 0.218 4.538 4.320 -0.000 0.000 0.232 500 A C -1.782 175.740 177.584 -0.104 0.000 1.041 500 A CA -0.624 51.369 52.037 -0.073 0.000 0.753 500 A CB -0.167 18.769 19.000 -0.106 0.000 0.966 500 A HN 0.278 nan 8.150 nan 0.000 0.510 501 P HA 0.487 nan 4.420 nan 0.000 0.278 501 P C 0.945 177.851 177.300 -0.657 0.000 1.266 501 P CA 0.785 63.633 63.100 -0.421 0.000 0.807 501 P CB 1.072 32.528 31.700 -0.407 0.000 1.094 502 G N -0.978 106.972 108.800 -1.418 0.000 2.363 502 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.238 502 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.238 502 G C 0.695 175.406 174.900 -0.315 0.000 1.062 502 G CA 0.456 44.842 45.100 -1.191 0.000 0.629 502 G HN 1.067 nan 8.290 nan 0.000 0.514 503 G N -0.486 108.302 108.800 -0.019 0.000 2.539 503 G HA2 0.042 4.002 3.960 -0.000 0.000 0.256 503 G HA3 0.042 4.002 3.960 -0.000 0.000 0.256 503 G C 0.561 175.545 174.900 0.140 0.000 1.233 503 G CA 0.816 46.048 45.100 0.219 0.000 0.936 503 G HN 1.926 nan 8.290 nan 0.000 0.571 504 M N -0.771 118.958 119.600 0.216 0.000 2.573 504 M HA -0.222 4.258 4.480 -0.000 0.000 0.184 504 M C 1.319 177.701 176.300 0.137 0.000 0.953 504 M CA 0.744 56.172 55.300 0.214 0.000 0.592 504 M CB -1.160 31.596 32.600 0.261 0.000 1.151 504 M HN 1.202 nan 8.290 nan 0.000 0.850 505 V N -1.674 118.305 119.914 0.108 0.000 2.341 505 V HA -0.099 4.021 4.120 -0.000 0.000 0.240 505 V C 1.884 178.001 176.094 0.038 0.000 1.035 505 V CA 1.583 63.906 62.300 0.040 0.000 1.033 505 V CB -0.409 31.427 31.823 0.022 0.000 0.678 505 V HN 0.576 nan 8.190 nan 0.000 0.464 506 D N 0.449 120.896 120.400 0.079 0.000 2.095 506 D HA -0.204 4.436 4.640 -0.000 0.000 0.192 506 D C 2.044 178.419 176.300 0.125 0.000 0.990 506 D CA 1.826 55.877 54.000 0.085 0.000 0.836 506 D CB -0.427 40.430 40.800 0.095 0.000 0.979 506 D HN 0.333 nan 8.370 nan 0.000 0.447 507 F N 2.472 122.421 119.950 -0.002 0.000 2.101 507 F HA -0.299 4.228 4.527 -0.000 0.000 0.298 507 F C 2.389 178.163 175.800 -0.044 0.000 1.076 507 F CA 1.609 59.599 58.000 -0.018 0.000 1.248 507 F CB -0.366 38.637 39.000 0.005 0.000 0.999 507 F HN -0.144 nan 8.300 nan 0.000 0.488 508 R N -0.784 119.642 120.500 -0.123 0.000 2.075 508 R HA -0.210 4.130 4.340 -0.000 0.000 0.230 508 R C 2.570 178.729 176.300 -0.234 0.000 1.140 508 R CA 1.772 57.708 56.100 -0.273 0.000 0.928 508 R CB -1.388 28.811 30.300 -0.170 0.000 0.834 508 R HN 0.517 nan 8.270 nan 0.000 0.429 509 c N 0.638 119.148 118.600 -0.150 0.000 2.336 509 c HA -0.214 4.356 4.570 -0.000 0.000 0.275 509 c C 2.615 176.622 174.090 -0.139 0.000 1.175 509 c CA 2.065 58.313 56.329 -0.135 0.000 1.771 509 c CB -1.137 41.328 42.510 -0.075 0.000 2.030 509 c HN 0.598 nan 8.230 nan 0.000 0.442 510 T N 0.778 115.281 114.554 -0.085 0.000 2.802 510 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 510 T C 1.616 176.213 174.700 -0.171 0.000 1.062 510 T CA 1.800 63.859 62.100 -0.068 0.000 1.133 510 T CB -0.415 68.468 68.868 0.025 0.000 0.852 510 T HN 0.648 nan 8.240 nan 0.000 0.485 511 L N 0.951 122.022 121.223 -0.253 0.000 2.109 511 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 511 L C 2.756 179.421 176.870 -0.343 0.000 1.086 511 L CA 1.311 55.898 54.840 -0.422 0.000 0.760 511 L CB -0.697 41.005 42.059 -0.595 0.000 0.910 511 L HN 0.399 nan 8.230 nan 0.000 0.437 512 T N -0.906 113.560 114.554 -0.147 0.000 2.580 512 T HA -0.295 4.055 4.350 -0.000 0.000 0.265 512 T C 1.867 176.622 174.700 0.092 0.000 1.063 512 T CA 1.770 63.867 62.100 -0.003 0.000 1.170 512 T CB -0.927 67.715 68.868 -0.377 0.000 0.863 512 T HN 0.232 nan 8.240 nan 0.000 0.418 513 L N 1.430 122.598 121.223 -0.092 0.000 1.990 513 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 513 L C 3.122 179.871 176.870 -0.201 0.000 1.072 513 L CA 2.161 56.903 54.840 -0.163 0.000 0.755 513 L CB -1.395 40.446 42.059 -0.363 0.000 0.889 513 L HN 0.396 nan 8.230 nan 0.000 0.432 514 S N -0.269 115.220 115.700 -0.352 0.000 2.368 514 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 514 S C 1.895 176.466 174.600 -0.048 0.000 1.030 514 S CA 1.126 59.137 58.200 -0.314 0.000 0.999 514 S CB -0.696 62.329 63.200 -0.293 0.000 0.844 514 S HN 0.280 nan 8.310 nan 0.000 0.459 515 F N 0.629 120.500 119.950 -0.131 0.000 2.154 515 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 515 F C 2.185 178.016 175.800 0.052 0.000 1.087 515 F CA 1.096 58.955 58.000 -0.236 0.000 1.274 515 F CB -0.308 38.705 39.000 0.021 0.000 1.009 515 F HN 0.197 nan 8.300 nan 0.000 0.485 516 F N 0.002 120.147 119.950 0.325 0.000 2.163 516 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 516 F C 2.149 178.169 175.800 0.367 0.000 1.094 516 F CA 1.088 59.335 58.000 0.413 0.000 1.290 516 F CB -0.813 38.385 39.000 0.330 0.000 1.017 516 F HN -0.055 nan 8.300 nan 0.000 0.483 517 F N 1.460 121.431 119.950 0.036 0.000 2.069 517 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 517 F C 2.457 178.201 175.800 -0.092 0.000 1.113 517 F CA 2.088 60.038 58.000 -0.084 0.000 1.214 517 F CB -0.515 38.365 39.000 -0.200 0.000 0.978 517 F HN -0.198 nan 8.300 nan 0.000 0.474 518 K N -0.503 119.806 120.400 -0.153 0.000 2.089 518 K HA -0.262 4.058 4.320 -0.000 0.000 0.210 518 K C 2.078 178.686 176.600 0.014 0.000 1.048 518 K CA 1.973 58.149 56.287 -0.185 0.000 0.926 518 K CB -0.701 31.634 32.500 -0.276 0.000 0.714 518 K HN 0.353 nan 8.250 nan 0.000 0.448 519 F N 0.695 120.628 119.950 -0.028 0.000 2.098 519 F HA -0.208 4.319 4.527 -0.000 0.000 0.294 519 F C 2.167 177.969 175.800 0.005 0.000 1.107 519 F CA 1.063 59.123 58.000 0.099 0.000 1.234 519 F CB -1.069 38.015 39.000 0.140 0.000 1.002 519 F HN 0.076 nan 8.300 nan 0.000 0.472 520 Y N 0.488 120.466 120.300 -0.537 0.000 2.040 520 Y HA -0.351 4.199 4.550 -0.000 0.000 0.275 520 Y C 2.360 178.194 175.900 -0.110 0.000 1.171 520 Y CA 2.217 60.137 58.100 -0.300 0.000 1.123 520 Y CB -0.641 37.562 38.460 -0.428 0.000 0.963 520 Y HN 0.141 nan 8.280 nan 0.000 0.493 521 L N -0.131 121.154 121.223 0.104 0.000 1.997 521 L HA -0.312 4.028 4.340 -0.000 0.000 0.216 521 L C 2.540 179.404 176.870 -0.010 0.000 1.074 521 L CA 2.619 57.475 54.840 0.027 0.000 0.763 521 L CB -0.762 41.137 42.059 -0.267 0.000 0.890 521 L HN 0.473 nan 8.230 nan 0.000 0.434 522 T N -4.232 110.291 114.554 -0.050 0.000 3.113 522 T HA 0.030 4.380 4.350 -0.000 0.000 0.256 522 T C 1.622 176.217 174.700 -0.175 0.000 1.131 522 T CA 0.248 62.317 62.100 -0.052 0.000 1.074 522 T CB -0.231 68.669 68.868 0.054 0.000 0.944 522 T HN 0.033 nan 8.240 nan 0.000 0.516 523 V N 1.669 121.390 119.914 -0.322 0.000 2.259 523 V HA -0.103 4.017 4.120 -0.000 0.000 0.226 523 V C 2.339 178.133 176.094 -0.500 0.000 1.016 523 V CA 1.549 63.494 62.300 -0.591 0.000 1.000 523 V CB -0.811 30.385 31.823 -1.046 0.000 0.647 523 V HN 0.490 nan 8.190 nan 0.000 0.466 524 L N -0.506 120.441 121.223 -0.460 0.000 2.500 524 L HA -0.518 3.822 4.340 -0.000 0.000 0.237 524 L C 2.660 179.438 176.870 -0.153 0.000 1.254 524 L CA 2.815 57.537 54.840 -0.196 0.000 0.793 524 L CB -0.960 41.110 42.059 0.018 0.000 1.065 524 L HN 0.789 nan 8.230 nan 0.000 0.408 525 Q N -0.075 119.665 119.800 -0.100 0.000 2.438 525 Q HA -0.258 4.082 4.340 -0.000 0.000 0.216 525 Q C 1.128 177.049 176.000 -0.132 0.000 0.996 525 Q CA 2.094 57.847 55.803 -0.083 0.000 0.923 525 Q CB -0.128 28.581 28.738 -0.049 0.000 0.921 525 Q HN 0.216 nan 8.270 nan 0.000 0.448 526 K N 0.240 120.492 120.400 -0.246 0.000 3.095 526 K HA 0.269 4.589 4.320 -0.000 0.000 0.220 526 K C -1.127 175.313 176.600 -0.267 0.000 1.216 526 K CA -0.116 55.997 56.287 -0.290 0.000 1.167 526 K CB -0.209 32.041 32.500 -0.417 0.000 1.199 526 K HN 0.266 nan 8.250 nan 0.000 0.458 527 L N -4.031 117.098 121.223 -0.158 0.000 2.599 527 L HA 0.311 4.651 4.340 -0.000 0.000 0.292 527 L C 0.864 177.694 176.870 -0.066 0.000 0.753 527 L CA -0.759 54.020 54.840 -0.101 0.000 1.134 527 L CB -0.329 41.656 42.059 -0.124 0.000 1.670 527 L HN -0.125 nan 8.230 nan 0.000 0.337 528 G N -0.930 107.835 108.800 -0.059 0.000 3.397 528 G HA2 0.429 4.389 3.960 -0.000 0.000 0.248 528 G HA3 0.429 4.389 3.960 -0.000 0.000 0.248 528 G C 0.337 175.217 174.900 -0.033 0.000 1.284 528 G CA 0.845 45.921 45.100 -0.039 0.000 1.570 528 G HN 0.498 nan 8.290 nan 0.000 0.587 529 Q N -1.250 118.527 119.800 -0.038 0.000 7.753 529 Q HA -0.174 4.166 4.340 -0.000 0.000 0.361 529 Q C -0.442 175.568 176.000 0.017 0.000 1.139 529 Q CA 0.978 56.773 55.803 -0.014 0.000 0.527 529 Q CB -0.912 27.822 28.738 -0.007 0.000 0.160 529 Q HN 0.520 nan 8.270 nan 0.000 0.879 530 E N 0.244 120.469 120.200 0.042 0.000 7.494 530 E HA -0.083 4.267 4.350 -0.000 0.000 0.356 530 E C -0.787 175.854 176.600 0.069 0.000 0.670 530 E CA 1.178 57.622 56.400 0.072 0.000 1.219 530 E CB -1.227 28.545 29.700 0.119 0.000 0.933 530 E HN 0.441 nan 8.360 nan 0.000 0.264 531 N N 3.217 121.958 118.700 0.069 0.000 2.707 531 N HA 0.181 4.921 4.740 -0.000 0.000 0.249 531 N C -0.550 174.990 175.510 0.051 0.000 1.299 531 N CA -0.509 52.572 53.050 0.052 0.000 0.769 531 N CB 0.503 39.015 38.487 0.042 0.000 1.236 531 N HN 0.370 nan 8.380 nan 0.000 0.524 532 L N 1.957 123.213 121.223 0.054 0.000 3.021 532 L HA -0.152 4.188 4.340 -0.000 0.000 0.301 532 L C 0.468 177.357 176.870 0.032 0.000 1.011 532 L CA 1.064 55.929 54.840 0.042 0.000 0.978 532 L CB 0.063 42.147 42.059 0.042 0.000 1.479 532 L HN 0.554 nan 8.230 nan 0.000 0.457 533 E N 2.242 122.458 120.200 0.027 0.000 2.651 533 E HA 0.129 4.479 4.350 -0.000 0.000 0.213 533 E C 0.001 176.610 176.600 0.015 0.000 1.028 533 E CA 0.084 56.496 56.400 0.019 0.000 1.183 533 E CB 0.389 30.098 29.700 0.015 0.000 1.188 533 E HN 0.737 nan 8.360 nan 0.000 0.444 534 D N -1.249 119.162 120.400 0.019 0.000 2.010 534 D HA 0.010 4.650 4.640 -0.000 0.000 0.056 534 D C 0.882 177.198 176.300 0.027 0.000 1.444 534 D CA -0.139 53.871 54.000 0.016 0.000 0.983 534 D CB -0.140 40.672 40.800 0.020 0.000 2.961 534 D HN -0.046 nan 8.370 nan 0.000 0.194 535 K N 0.684 121.114 120.400 0.050 0.000 2.515 535 K HA 0.099 4.419 4.320 -0.000 0.000 0.196 535 K C -0.187 176.476 176.600 0.105 0.000 1.038 535 K CA 0.800 57.130 56.287 0.072 0.000 0.967 535 K CB -0.811 31.743 32.500 0.090 0.000 0.780 535 K HN 0.608 nan 8.250 nan 0.000 0.483 536 c N -0.863 117.798 118.600 0.101 0.000 1.469 536 c HA -0.036 4.534 4.570 -0.000 0.000 0.186 536 c C 0.342 174.660 174.090 0.379 0.000 0.847 536 c CA -0.246 56.184 56.329 0.169 0.000 3.436 536 c CB -2.127 40.404 42.510 0.034 0.000 1.967 536 c HN 0.716 nan 8.230 nan 0.000 0.174 537 G N 2.873 111.891 108.800 0.365 0.000 2.588 537 G HA2 0.511 4.471 3.960 -0.000 0.000 0.239 537 G HA3 0.511 4.471 3.960 -0.000 0.000 0.239 537 G C -0.679 174.326 174.900 0.176 0.000 1.275 537 G CA -0.253 44.987 45.100 0.234 0.000 1.181 537 G HN 2.157 nan 8.290 nan 0.000 0.595 538 K N -0.137 120.351 120.400 0.146 0.000 4.097 538 K HA -0.121 4.199 4.320 -0.000 0.000 0.961 538 K C 0.187 176.890 176.600 0.171 0.000 1.653 538 K CA 0.300 56.662 56.287 0.125 0.000 1.295 538 K CB -0.785 31.773 32.500 0.097 0.000 3.097 538 K HN 0.809 nan 8.250 nan 0.000 0.153 539 L N 2.034 123.345 121.223 0.147 0.000 3.036 539 L HA 0.254 4.594 4.340 -0.000 0.000 0.237 539 L C 1.028 177.987 176.870 0.150 0.000 1.319 539 L CA -0.261 54.682 54.840 0.173 0.000 1.112 539 L CB -0.096 42.045 42.059 0.137 0.000 1.480 539 L HN 0.487 nan 8.230 nan 0.000 0.506 540 D N 1.616 122.096 120.400 0.133 0.000 1.971 540 D HA 0.102 4.742 4.640 -0.000 0.000 0.300 540 D C -1.206 175.182 176.300 0.146 0.000 1.091 540 D CA 0.067 54.142 54.000 0.124 0.000 0.835 540 D CB -0.760 40.101 40.800 0.102 0.000 1.002 540 D HN 0.053 nan 8.370 nan 0.000 0.343 541 P HA -0.135 nan 4.420 nan 0.000 0.061 541 P C -0.807 176.658 177.300 0.275 0.000 0.594 541 P CA 0.639 63.853 63.100 0.190 0.000 1.066 541 P CB -1.015 30.779 31.700 0.157 0.000 1.777 542 T N 2.278 116.960 114.554 0.214 0.000 2.460 542 T HA -0.235 4.115 4.350 -0.000 0.000 0.469 542 T C 0.037 174.876 174.700 0.233 0.000 1.020 542 T CA 0.577 62.794 62.100 0.196 0.000 3.926 542 T CB -1.259 67.684 68.868 0.126 0.000 0.571 542 T HN 0.192 nan 8.240 nan 0.000 0.200 543 F N 2.862 122.870 119.950 0.097 0.000 2.411 543 F HA 0.593 5.120 4.527 -0.000 0.000 0.352 543 F C 0.566 176.413 175.800 0.079 0.000 1.123 543 F CA -0.651 57.414 58.000 0.108 0.000 1.044 543 F CB 0.773 39.848 39.000 0.125 0.000 1.135 543 F HN 0.402 nan 8.300 nan 0.000 0.461 544 A N 3.577 126.085 122.820 -0.519 0.000 1.881 544 A HA 0.073 4.393 4.320 -0.000 0.000 0.210 544 A C 2.066 179.307 177.584 -0.572 0.000 1.239 544 A CA 1.084 52.870 52.037 -0.419 0.000 0.629 544 A CB -0.977 17.909 19.000 -0.190 0.000 0.906 544 A HN 0.751 nan 8.150 nan 0.000 0.460 545 S N -0.403 114.886 115.700 -0.686 0.000 2.418 545 S HA -0.279 4.191 4.470 -0.000 0.000 0.377 545 S C 2.166 176.662 174.600 -0.174 0.000 1.036 545 S CA 2.414 60.415 58.200 -0.332 0.000 2.111 545 S CB -0.739 62.341 63.200 -0.200 0.000 1.602 545 S HN 0.963 nan 8.310 nan 0.000 0.453 546 A N -1.006 121.755 122.820 -0.098 0.000 1.840 546 A HA 0.258 4.578 4.320 -0.000 0.000 0.214 546 A C 1.197 178.771 177.584 -0.016 0.000 1.198 546 A CA 1.793 53.816 52.037 -0.024 0.000 0.608 546 A CB -1.105 17.909 19.000 0.023 0.000 0.839 546 A HN 0.752 nan 8.150 nan 0.000 0.443 558 V N 1.504 121.441 119.914 0.039 0.000 2.881 558 V HA 0.808 4.928 4.120 -0.000 0.000 0.316 558 V C -0.743 175.346 176.094 -0.008 0.000 1.070 558 V CA -0.343 61.967 62.300 0.018 0.000 0.976 558 V CB 2.024 33.861 31.823 0.025 0.000 1.038 558 V HN 0.530 nan 8.190 nan 0.000 0.446 559 Q N 4.027 123.826 119.800 -0.001 0.000 2.268 559 Q HA 0.765 5.105 4.340 -0.000 0.000 0.266 559 Q C -1.526 174.520 176.000 0.075 0.000 1.006 559 Q CA -0.513 55.283 55.803 -0.012 0.000 0.824 559 Q CB 2.184 30.876 28.738 -0.076 0.000 1.306 559 Q HN 0.556 nan 8.270 nan 0.000 0.424 560 L N -0.841 120.445 121.223 0.105 0.000 2.409 560 L HA 0.922 5.262 4.340 -0.000 0.000 0.255 560 L C -0.855 176.208 176.870 0.321 0.000 1.027 560 L CA -0.991 54.003 54.840 0.256 0.000 0.834 560 L CB 0.990 43.114 42.059 0.108 0.000 1.426 560 L HN 0.674 nan 8.230 nan 0.000 0.411 561 F N -2.082 117.841 119.950 -0.045 0.000 3.262 561 F HA 0.761 5.288 4.527 -0.000 0.000 0.327 561 F C -0.901 174.878 175.800 -0.034 0.000 1.206 561 F CA -1.015 56.959 58.000 -0.042 0.000 0.930 561 F CB 1.581 40.552 39.000 -0.049 0.000 1.513 561 F HN 0.785 nan 8.300 nan 0.000 0.519 562 Q N 1.195 120.941 119.800 -0.090 0.000 2.342 562 Q HA 0.368 4.708 4.340 -0.000 0.000 0.267 562 Q C -1.231 174.629 176.000 -0.233 0.000 1.038 562 Q CA -0.732 54.962 55.803 -0.181 0.000 0.832 562 Q CB 2.351 31.061 28.738 -0.047 0.000 1.323 562 Q HN 0.607 nan 8.270 nan 0.000 0.448 563 E N 1.306 121.370 120.200 -0.227 0.000 2.390 563 E HA 0.202 4.552 4.350 -0.000 0.000 0.261 563 E C -0.975 175.581 176.600 -0.074 0.000 1.076 563 E CA -0.431 55.870 56.400 -0.165 0.000 0.905 563 E CB 0.950 30.559 29.700 -0.152 0.000 0.984 563 E HN 0.435 nan 8.360 nan 0.000 0.427 564 V N 3.002 122.889 119.914 -0.046 0.000 2.555 564 V HA 0.299 4.419 4.120 -0.000 0.000 0.286 564 V C -1.993 174.087 176.094 -0.024 0.000 1.044 564 V CA -1.866 60.422 62.300 -0.021 0.000 1.026 564 V CB 0.165 31.981 31.823 -0.011 0.000 0.981 564 V HN 0.763 nan 8.190 nan 0.000 0.480 565 P HA -0.164 nan 4.420 nan 0.000 0.258 565 P C 1.017 178.309 177.300 -0.013 0.000 1.102 565 P CA 0.621 63.715 63.100 -0.011 0.000 0.757 565 P CB 0.247 31.946 31.700 -0.001 0.000 0.681 566 K N 3.058 123.450 120.400 -0.014 0.000 2.071 566 K HA -0.239 4.081 4.320 -0.000 0.000 0.217 566 K C 2.113 178.710 176.600 -0.006 0.000 1.054 566 K CA 2.318 58.598 56.287 -0.012 0.000 0.937 566 K CB -1.161 31.332 32.500 -0.011 0.000 0.719 566 K HN 0.691 nan 8.250 nan 0.000 0.454 567 G N 2.386 111.185 108.800 -0.002 0.000 2.574 567 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 567 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 567 G C 0.855 175.757 174.900 0.003 0.000 1.173 567 G CA 1.232 46.334 45.100 0.003 0.000 0.772 567 G HN 0.634 nan 8.290 nan 0.000 0.585 568 Q N 0.374 120.175 119.800 0.001 0.000 2.373 568 Q HA 0.475 4.815 4.340 -0.000 0.000 0.255 568 Q C 0.138 176.137 176.000 -0.003 0.000 0.980 568 Q CA -0.228 55.576 55.803 0.001 0.000 0.882 568 Q CB 0.915 29.652 28.738 -0.002 0.000 1.249 568 Q HN 0.146 nan 8.270 nan 0.000 0.438 569 S N 0.759 116.457 115.700 -0.003 0.000 2.573 569 S HA -0.031 4.439 4.470 -0.000 0.000 0.277 569 S C 0.914 175.508 174.600 -0.010 0.000 1.346 569 S CA -0.442 57.755 58.200 -0.005 0.000 1.034 569 S CB 0.564 63.762 63.200 -0.004 0.000 0.879 569 S HN 0.783 nan 8.310 nan 0.000 0.528 570 E N 1.789 121.985 120.200 -0.007 0.000 2.265 570 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 570 E C 1.401 177.993 176.600 -0.013 0.000 0.996 570 E CA 1.324 57.719 56.400 -0.007 0.000 0.832 570 E CB -0.022 29.676 29.700 -0.004 0.000 0.756 570 E HN 0.908 nan 8.360 nan 0.000 0.491 571 E N 0.427 120.616 120.200 -0.020 0.000 2.562 571 E HA 0.027 4.377 4.350 -0.000 0.000 0.214 571 E C -0.094 176.479 176.600 -0.045 0.000 0.979 571 E CA -0.231 56.150 56.400 -0.031 0.000 1.002 571 E CB 0.114 29.794 29.700 -0.033 0.000 1.048 571 E HN -0.118 nan 8.360 nan 0.000 0.488 572 D N 1.204 121.578 120.400 -0.043 0.000 2.316 572 D HA 0.057 4.697 4.640 -0.000 0.000 0.245 572 D C 0.531 176.794 176.300 -0.062 0.000 1.171 572 D CA -0.273 53.690 54.000 -0.062 0.000 0.856 572 D CB 1.107 41.872 40.800 -0.057 0.000 1.090 572 D HN -0.018 nan 8.370 nan 0.000 0.476 573 M N 2.940 122.493 119.600 -0.079 0.000 2.333 573 M HA 0.120 4.600 4.480 -0.000 0.000 0.257 573 M C -0.184 176.067 176.300 -0.082 0.000 1.078 573 M CA -0.214 55.048 55.300 -0.063 0.000 1.005 573 M CB 0.628 33.194 32.600 -0.056 0.000 1.444 573 M HN 0.210 nan 8.290 nan 0.000 0.496 574 V N 1.007 120.840 119.914 -0.135 0.000 2.555 574 V HA 0.438 4.558 4.120 -0.000 0.000 0.286 574 V C 1.349 177.384 176.094 -0.098 0.000 1.044 574 V CA 0.980 63.182 62.300 -0.163 0.000 1.026 574 V CB 0.635 32.264 31.823 -0.324 0.000 0.981 574 V HN 0.827 nan 8.190 nan 0.000 0.480 575 G N 4.629 113.395 108.800 -0.055 0.000 2.254 575 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.225 575 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.225 575 G C 0.333 175.253 174.900 0.033 0.000 1.003 575 G CA -0.169 44.927 45.100 -0.007 0.000 0.622 575 G HN 0.615 nan 8.290 nan 0.000 0.507 576 R N 1.485 121.996 120.500 0.019 0.000 2.539 576 R HA 0.400 4.740 4.340 -0.000 0.000 0.275 576 R C -2.296 174.032 176.300 0.048 0.000 1.077 576 R CA -1.147 54.985 56.100 0.053 0.000 1.097 576 R CB 0.809 31.130 30.300 0.035 0.000 1.018 576 R HN 0.170 nan 8.270 nan 0.000 0.483 577 P HA 0.024 nan 4.420 nan 0.000 0.226 577 P C -0.660 176.698 177.300 0.096 0.000 1.783 577 P CA -0.175 62.941 63.100 0.027 0.000 0.980 577 P CB -0.091 31.638 31.700 0.049 0.000 1.967 578 L N 2.873 124.139 121.223 0.071 0.000 2.290 578 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 578 L C -2.554 174.398 176.870 0.136 0.000 1.078 578 L CA -2.424 52.472 54.840 0.094 0.000 0.815 578 L CB 0.278 42.361 42.059 0.039 0.000 1.162 578 L HN -0.056 nan 8.230 nan 0.000 0.435 579 P HA -0.035 nan 4.420 nan 0.000 0.268 579 P C -0.467 176.909 177.300 0.126 0.000 1.205 579 P CA -0.047 63.166 63.100 0.189 0.000 0.771 579 P CB 0.264 31.954 31.700 -0.017 0.000 0.858 580 H N 3.582 122.685 119.070 0.055 0.000 3.188 580 H HA -0.111 4.445 4.556 -0.000 0.000 0.255 580 H C 1.360 176.690 175.328 0.004 0.000 0.815 580 H CA 0.585 56.646 56.048 0.023 0.000 1.436 580 H CB 0.122 29.896 29.762 0.021 0.000 1.378 580 H HN 0.420 nan 8.280 nan 0.000 0.510 581 L N 3.693 124.952 121.223 0.061 0.000 2.386 581 L HA -0.275 4.065 4.340 -0.000 0.000 0.220 581 L C 1.790 178.727 176.870 0.112 0.000 1.115 581 L CA 1.805 56.676 54.840 0.053 0.000 0.780 581 L CB -0.350 41.676 42.059 -0.055 0.000 0.902 581 L HN 0.643 nan 8.230 nan 0.000 0.442 582 A N -1.844 121.136 122.820 0.268 0.000 2.606 582 A HA 0.548 4.868 4.320 -0.000 0.000 0.290 582 A C 1.753 179.367 177.584 0.050 0.000 1.174 582 A CA 0.448 52.567 52.037 0.136 0.000 0.958 582 A CB 0.122 19.206 19.000 0.140 0.000 1.194 582 A HN 0.205 nan 8.150 nan 0.000 0.526 583 A N -0.069 122.776 122.820 0.042 0.000 2.067 583 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 583 A C 1.536 179.110 177.584 -0.017 0.000 1.156 583 A CA 1.533 53.550 52.037 -0.034 0.000 0.683 583 A CB -0.195 18.780 19.000 -0.041 0.000 0.808 583 A HN 0.385 nan 8.150 nan 0.000 0.455 584 D N -0.177 120.226 120.400 0.005 0.000 2.091 584 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 584 D C 1.930 178.236 176.300 0.010 0.000 0.980 584 D CA 1.332 55.336 54.000 0.006 0.000 0.831 584 D CB -0.332 40.477 40.800 0.015 0.000 0.987 584 D HN 0.434 nan 8.370 nan 0.000 0.460 585 M N 0.402 120.012 119.600 0.017 0.000 2.213 585 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 585 M C 2.143 178.456 176.300 0.022 0.000 1.062 585 M CA 1.208 56.520 55.300 0.019 0.000 1.105 585 M CB -0.048 32.566 32.600 0.024 0.000 1.385 585 M HN -0.009 nan 8.290 nan 0.000 0.417 586 Q N -0.378 119.431 119.800 0.016 0.000 2.119 586 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 586 Q C 2.016 178.031 176.000 0.025 0.000 0.972 586 Q CA 1.470 57.294 55.803 0.035 0.000 0.847 586 Q CB -0.155 28.585 28.738 0.004 0.000 0.903 586 Q HN 0.580 nan 8.270 nan 0.000 0.433 587 A N 0.640 123.465 122.820 0.009 0.000 2.208 587 A HA -0.024 4.296 4.320 -0.000 0.000 0.209 587 A C 1.809 179.396 177.584 0.005 0.000 1.161 587 A CA 1.009 53.052 52.037 0.010 0.000 0.782 587 A CB 0.034 19.042 19.000 0.012 0.000 0.816 587 A HN 0.321 nan 8.150 nan 0.000 0.477 588 S N -2.984 112.719 115.700 0.005 0.000 2.578 588 S HA 0.430 4.900 4.470 -0.000 0.000 0.231 588 S C 1.361 175.954 174.600 -0.012 0.000 0.994 588 S CA 1.011 59.208 58.200 -0.004 0.000 0.956 588 S CB 0.045 63.247 63.200 0.003 0.000 0.870 588 S HN 1.718 nan 8.310 nan 0.000 0.494 589 G N 2.477 111.274 108.800 -0.004 0.000 2.304 589 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.252 589 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.252 589 G C 0.863 175.775 174.900 0.020 0.000 1.014 589 G CA 0.538 45.637 45.100 -0.002 0.000 0.619 589 G HN 0.655 nan 8.290 nan 0.000 0.525 590 E N 0.958 121.168 120.200 0.017 0.000 2.076 590 E HA 0.365 4.715 4.350 -0.000 0.000 0.190 590 E C 1.645 178.258 176.600 0.021 0.000 0.979 590 E CA 0.449 56.858 56.400 0.016 0.000 0.807 590 E CB -0.404 29.300 29.700 0.006 0.000 0.761 590 E HN 1.527 nan 8.360 nan 0.000 0.454 591 A N 2.131 124.965 122.820 0.022 0.000 2.422 591 A HA -0.048 4.272 4.320 -0.000 0.000 0.299 591 A C 0.277 177.871 177.584 0.017 0.000 0.872 591 A CA 0.434 52.470 52.037 -0.001 0.000 1.207 591 A CB -0.470 18.571 19.000 0.068 0.000 0.708 591 A HN 0.142 nan 8.150 nan 0.000 0.356 592 V N 4.705 124.561 119.914 -0.096 0.000 2.472 592 V HA 0.397 4.517 4.120 -0.000 0.000 0.290 592 V C 0.538 176.502 176.094 -0.216 0.000 1.037 592 V CA -0.358 61.916 62.300 -0.043 0.000 0.908 592 V CB 0.954 32.735 31.823 -0.070 0.000 0.985 592 V HN 0.861 nan 8.190 nan 0.000 0.454 593 Y N 1.686 122.024 120.300 0.062 0.000 2.984 593 Y HA 0.234 4.784 4.550 -0.000 0.000 0.193 593 Y C 1.855 177.779 175.900 0.041 0.000 0.897 593 Y CA 1.369 59.518 58.100 0.081 0.000 1.183 593 Y CB -0.056 38.504 38.460 0.166 0.000 1.064 593 Y HN 0.687 nan 8.280 nan 0.000 0.462 594 C N -1.120 118.338 119.300 0.264 0.000 2.857 594 C HA 0.139 4.599 4.460 -0.000 0.000 0.328 594 C C 1.984 177.027 174.990 0.088 0.000 1.957 594 C CA 0.554 59.649 59.018 0.128 0.000 2.134 594 C CB -0.540 27.270 27.740 0.118 0.000 1.814 594 C HN 0.816 nan 8.230 nan 0.000 0.703 595 D N 0.993 121.453 120.400 0.100 0.000 2.417 595 D HA -0.109 4.531 4.640 -0.000 0.000 0.225 595 D C 1.221 177.554 176.300 0.054 0.000 0.983 595 D CA 1.135 55.175 54.000 0.068 0.000 0.949 595 D CB -0.115 40.730 40.800 0.075 0.000 0.879 595 D HN 0.493 nan 8.370 nan 0.000 0.520 596 D N -0.399 120.043 120.400 0.071 0.000 2.259 596 D HA -0.006 4.634 4.640 -0.000 0.000 0.216 596 D C 0.620 176.907 176.300 -0.022 0.000 0.961 596 D CA -0.006 54.027 54.000 0.056 0.000 0.878 596 D CB 0.072 40.953 40.800 0.135 0.000 1.009 596 D HN 0.210 nan 8.370 nan 0.000 0.490 597 I N 3.300 123.828 120.570 -0.069 0.000 3.114 597 I HA -0.097 4.073 4.170 -0.000 0.000 0.320 597 I C -2.005 174.022 176.117 -0.150 0.000 1.230 597 I CA -0.820 60.386 61.300 -0.157 0.000 1.440 597 I CB -1.225 36.640 38.000 -0.225 0.000 1.334 597 I HN -0.205 nan 8.210 nan 0.000 0.532 598 P HA -0.014 nan 4.420 nan 0.000 0.261 598 P C 0.416 177.582 177.300 -0.223 0.000 1.165 598 P CA 0.186 63.173 63.100 -0.188 0.000 0.759 598 P CB 0.337 31.909 31.700 -0.213 0.000 0.772 599 R N 3.244 123.668 120.500 -0.125 0.000 2.585 599 R HA 0.064 4.404 4.340 -0.000 0.000 0.275 599 R C 0.069 176.317 176.300 -0.085 0.000 1.018 599 R CA 0.383 56.448 56.100 -0.057 0.000 1.072 599 R CB 0.066 30.354 30.300 -0.020 0.000 0.953 599 R HN 0.462 nan 8.270 nan 0.000 0.419 600 Y N 0.627 120.915 120.300 -0.019 0.000 2.289 600 Y HA -0.061 4.489 4.550 -0.000 0.000 0.332 600 Y C 1.724 177.615 175.900 -0.014 0.000 1.324 600 Y CA 0.224 58.315 58.100 -0.015 0.000 1.478 600 Y CB 0.767 39.225 38.460 -0.003 0.000 1.378 600 Y HN 0.651 nan 8.280 nan 0.000 0.558 601 E N 0.488 120.837 120.200 0.249 0.000 2.418 601 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 601 E C -0.045 176.608 176.600 0.088 0.000 1.026 601 E CA 1.036 57.505 56.400 0.115 0.000 0.862 601 E CB -0.178 29.568 29.700 0.078 0.000 0.799 601 E HN 0.688 nan 8.360 nan 0.000 0.518 602 N N 0.761 119.521 118.700 0.100 0.000 2.416 602 N HA 0.063 4.803 4.740 -0.000 0.000 0.267 602 N C -1.047 174.494 175.510 0.052 0.000 1.294 602 N CA -0.334 52.744 53.050 0.047 0.000 0.891 602 N CB 0.354 38.845 38.487 0.006 0.000 1.238 602 N HN 0.138 nan 8.380 nan 0.000 0.508 603 E N 1.037 121.287 120.200 0.085 0.000 2.197 603 E HA 0.363 4.713 4.350 -0.000 0.000 0.281 603 E C -0.728 175.906 176.600 0.057 0.000 0.995 603 E CA -0.619 55.835 56.400 0.089 0.000 0.808 603 E CB 1.071 30.862 29.700 0.151 0.000 1.093 603 E HN 0.234 nan 8.360 nan 0.000 0.394 604 L N 2.475 123.723 121.223 0.041 0.000 2.357 604 L HA 0.362 4.702 4.340 -0.000 0.000 0.273 604 L C 0.069 176.958 176.870 0.032 0.000 1.080 604 L CA -0.752 54.104 54.840 0.027 0.000 0.803 604 L CB 1.770 43.832 42.059 0.005 0.000 1.174 604 L HN 0.473 nan 8.230 nan 0.000 0.443 605 S N 2.442 118.159 115.700 0.029 0.000 2.525 605 S HA 0.514 4.984 4.470 -0.000 0.000 0.278 605 S C -0.228 174.389 174.600 0.028 0.000 1.234 605 S CA -0.549 57.670 58.200 0.033 0.000 1.058 605 S CB 1.474 64.695 63.200 0.036 0.000 0.983 605 S HN 0.419 nan 8.310 nan 0.000 0.495 606 L N 2.986 124.230 121.223 0.034 0.000 2.491 606 L HA 0.839 5.179 4.340 -0.000 0.000 0.264 606 L C -0.476 176.422 176.870 0.047 0.000 1.053 606 L CA -0.894 53.967 54.840 0.036 0.000 0.858 606 L CB 1.338 43.419 42.059 0.037 0.000 1.519 606 L HN 0.769 nan 8.230 nan 0.000 0.508 607 R N 1.505 122.038 120.500 0.056 0.000 6.655 607 R HA 0.285 4.625 4.340 -0.000 0.000 0.246 607 R C -2.333 174.015 176.300 0.079 0.000 0.888 607 R CA -0.518 55.620 56.100 0.063 0.000 1.698 607 R CB 0.132 30.471 30.300 0.066 0.000 1.162 607 R HN 0.741 nan 8.270 nan 0.000 0.823 608 L N 1.689 122.962 121.223 0.083 0.000 2.342 608 L HA 0.884 5.224 4.340 -0.000 0.000 0.271 608 L C -0.914 176.022 176.870 0.110 0.000 1.008 608 L CA -1.091 53.812 54.840 0.105 0.000 0.818 608 L CB 2.199 44.334 42.059 0.128 0.000 1.296 608 L HN 0.240 nan 8.230 nan 0.000 0.427 609 V N 1.610 121.600 119.914 0.127 0.000 2.394 609 V HA 0.670 4.790 4.120 -0.000 0.000 0.282 609 V C 0.288 176.459 176.094 0.127 0.000 1.031 609 V CA -0.029 62.351 62.300 0.134 0.000 0.881 609 V CB 1.350 33.283 31.823 0.184 0.000 0.982 609 V HN 1.026 nan 8.190 nan 0.000 0.451 610 T N 0.237 114.862 114.554 0.119 0.000 2.956 610 T HA 0.464 4.814 4.350 -0.000 0.000 0.312 610 T C -0.211 174.570 174.700 0.134 0.000 1.151 610 T CA -0.587 61.587 62.100 0.125 0.000 1.024 610 T CB 1.584 70.522 68.868 0.116 0.000 1.140 610 T HN 0.692 nan 8.240 nan 0.000 0.473 611 S N 1.326 117.114 115.700 0.147 0.000 2.599 611 S HA 0.117 4.587 4.470 -0.000 0.000 0.303 611 S C 1.331 175.980 174.600 0.081 0.000 1.267 611 S CA 0.636 58.929 58.200 0.155 0.000 1.055 611 S CB -0.033 63.233 63.200 0.110 0.000 0.790 611 S HN 1.313 nan 8.310 nan 0.000 0.500 612 T N 3.311 117.887 114.554 0.038 0.000 3.085 612 T HA 0.380 4.730 4.350 -0.000 0.000 0.264 612 T C 0.307 174.936 174.700 -0.118 0.000 1.019 612 T CA -0.597 61.515 62.100 0.021 0.000 0.910 612 T CB 0.098 69.040 68.868 0.124 0.000 1.059 612 T HN 0.513 nan 8.240 nan 0.000 0.542 613 R N -0.175 120.150 120.500 -0.293 0.000 2.912 613 R HA 0.838 5.178 4.340 -0.000 0.000 0.262 613 R C 0.840 177.048 176.300 -0.152 0.000 1.057 613 R CA -0.364 55.562 56.100 -0.289 0.000 0.981 613 R CB 0.815 30.798 30.300 -0.528 0.000 1.201 613 R HN 0.071 nan 8.270 nan 0.000 0.484 614 A N -0.361 122.411 122.820 -0.081 0.000 2.044 614 A HA 0.058 4.378 4.320 -0.000 0.000 0.213 614 A C 0.073 177.690 177.584 0.054 0.000 1.169 614 A CA 1.029 53.061 52.037 -0.008 0.000 0.724 614 A CB -0.045 18.957 19.000 0.003 0.000 0.840 614 A HN 0.726 nan 8.150 nan 0.000 0.463 615 H N -2.196 116.844 119.070 -0.049 0.000 3.174 615 H HA 0.511 5.067 4.556 -0.000 0.000 0.307 615 H C -1.076 174.238 175.328 -0.022 0.000 1.116 615 H CA -0.031 56.008 56.048 -0.015 0.000 1.489 615 H CB 0.842 30.597 29.762 -0.010 0.000 2.104 615 H HN 0.518 nan 8.280 nan 0.000 0.414 616 A N 4.321 127.291 122.820 0.249 0.000 2.583 616 A HA 0.385 4.705 4.320 -0.000 0.000 0.292 616 A C -1.585 176.113 177.584 0.191 0.000 1.045 616 A CA -0.970 51.175 52.037 0.180 0.000 0.672 616 A CB 1.694 20.741 19.000 0.080 0.000 1.283 616 A HN 0.529 nan 8.150 nan 0.000 0.419 617 K N 0.244 120.747 120.400 0.171 0.000 2.102 617 K HA 0.614 4.934 4.320 -0.000 0.000 0.244 617 K C -0.807 175.902 176.600 0.182 0.000 1.021 617 K CA -0.401 55.975 56.287 0.149 0.000 0.913 617 K CB 0.830 33.394 32.500 0.107 0.000 1.062 617 K HN 0.724 nan 8.250 nan 0.000 0.485 618 I N 2.681 123.330 120.570 0.131 0.000 2.448 618 I HA 0.172 4.342 4.170 -0.000 0.000 0.281 618 I C 0.319 176.452 176.117 0.027 0.000 1.027 618 I CA -0.427 60.933 61.300 0.100 0.000 1.111 618 I CB 1.162 39.229 38.000 0.113 0.000 1.236 618 I HN 0.623 nan 8.210 nan 0.000 0.452 619 K N 4.002 124.398 120.400 -0.006 0.000 2.137 619 K HA 0.143 4.463 4.320 -0.000 0.000 0.202 619 K C 0.315 176.893 176.600 -0.037 0.000 1.052 619 K CA 1.003 57.283 56.287 -0.011 0.000 0.961 619 K CB 0.254 32.749 32.500 -0.007 0.000 0.741 619 K HN 0.858 nan 8.250 nan 0.000 0.452 620 S N -1.103 114.550 115.700 -0.079 0.000 2.707 620 S HA 0.360 4.830 4.470 -0.000 0.000 0.270 620 S C -1.092 173.434 174.600 -0.124 0.000 1.031 620 S CA -1.039 57.113 58.200 -0.080 0.000 0.866 620 S CB 0.817 63.981 63.200 -0.060 0.000 1.114 620 S HN 0.009 nan 8.310 nan 0.000 0.465 621 I N 1.356 121.860 120.570 -0.110 0.000 2.465 621 I HA 0.499 4.669 4.170 -0.000 0.000 0.291 621 I C -1.389 174.622 176.117 -0.178 0.000 1.014 621 I CA -0.276 60.933 61.300 -0.152 0.000 1.093 621 I CB 1.913 39.850 38.000 -0.106 0.000 1.267 621 I HN 0.735 nan 8.210 nan 0.000 0.431 622 D N 3.913 124.188 120.400 -0.209 0.000 2.471 622 D HA 0.209 4.849 4.640 -0.000 0.000 0.245 622 D C 0.428 176.583 176.300 -0.241 0.000 1.116 622 D CA -0.182 53.700 54.000 -0.196 0.000 0.853 622 D CB 1.876 42.590 40.800 -0.144 0.000 1.123 622 D HN 0.401 nan 8.370 nan 0.000 0.540 623 T N 1.005 115.406 114.554 -0.256 0.000 3.100 623 T HA -0.047 4.303 4.350 -0.000 0.000 0.253 623 T C 1.730 176.274 174.700 -0.261 0.000 1.118 623 T CA 1.294 63.209 62.100 -0.308 0.000 1.058 623 T CB 0.186 68.896 68.868 -0.264 0.000 0.953 623 T HN 0.461 nan 8.240 nan 0.000 0.515 624 S N 0.294 115.871 115.700 -0.204 0.000 2.425 624 S HA 0.030 4.500 4.470 -0.000 0.000 0.225 624 S C 1.803 176.283 174.600 -0.200 0.000 1.024 624 S CA 0.537 58.627 58.200 -0.185 0.000 0.951 624 S CB -0.221 62.900 63.200 -0.132 0.000 0.796 624 S HN 0.276 nan 8.310 nan 0.000 0.498 625 E N 1.834 121.926 120.200 -0.180 0.000 2.347 625 E HA 0.229 4.579 4.350 -0.000 0.000 0.196 625 E C 1.815 178.290 176.600 -0.209 0.000 1.008 625 E CA 0.889 57.193 56.400 -0.160 0.000 0.852 625 E CB -0.493 29.139 29.700 -0.115 0.000 0.783 625 E HN 0.670 nan 8.360 nan 0.000 0.505 626 A N 0.499 123.142 122.820 -0.295 0.000 1.935 626 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 626 A C 1.697 178.851 177.584 -0.717 0.000 1.178 626 A CA 0.906 52.715 52.037 -0.379 0.000 0.640 626 A CB -0.147 18.681 19.000 -0.286 0.000 0.825 626 A HN 0.162 nan 8.150 nan 0.000 0.447 627 K N 0.374 120.260 120.400 -0.856 0.000 2.574 627 K HA 0.001 4.321 4.320 -0.000 0.000 0.193 627 K C 1.293 177.642 176.600 -0.419 0.000 1.035 627 K CA 0.709 56.449 56.287 -0.913 0.000 0.982 627 K CB 0.001 32.189 32.500 -0.520 0.000 0.795 627 K HN 0.319 nan 8.250 nan 0.000 0.491 628 K N 0.855 121.074 120.400 -0.303 0.000 2.418 628 K HA 0.055 4.374 4.320 -0.000 0.000 0.195 628 K C 0.184 176.701 176.600 -0.138 0.000 1.035 628 K CA 0.170 56.354 56.287 -0.171 0.000 1.003 628 K CB 0.382 32.804 32.500 -0.130 0.000 0.793 628 K HN -0.055 nan 8.250 nan 0.000 0.494 629 V N 3.254 123.071 119.914 -0.161 0.000 2.614 629 V HA 0.067 4.187 4.120 -0.000 0.000 0.291 629 V C -2.240 173.789 176.094 -0.108 0.000 1.049 629 V CA -1.633 60.598 62.300 -0.114 0.000 1.038 629 V CB 0.887 32.669 31.823 -0.068 0.000 0.980 629 V HN 0.070 nan 8.190 nan 0.000 0.481 630 P HA 0.121 nan 4.420 nan 0.000 0.256 630 P C 0.860 178.006 177.300 -0.256 0.000 1.173 630 P CA 1.635 64.583 63.100 -0.253 0.000 0.768 630 P CB 0.209 31.685 31.700 -0.374 0.000 0.758 631 G N 3.216 112.003 108.800 -0.022 0.000 2.179 631 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 631 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 631 G C 0.192 175.167 174.900 0.125 0.000 0.977 631 G CA -0.395 44.747 45.100 0.070 0.000 0.641 631 G HN 0.567 nan 8.290 nan 0.000 0.533 632 F N 0.688 120.619 119.950 -0.031 0.000 2.629 632 F HA 0.377 4.904 4.527 -0.000 0.000 0.377 632 F C 1.313 177.125 175.800 0.021 0.000 1.101 632 F CA 0.962 58.966 58.000 0.006 0.000 1.301 632 F CB 0.971 39.964 39.000 -0.012 0.000 1.062 632 F HN -0.069 nan 8.300 nan 0.000 0.583 633 V N 5.171 124.731 119.914 -0.591 0.000 2.806 633 V HA 0.107 4.227 4.120 -0.000 0.000 0.239 633 V C 0.145 175.907 176.094 -0.553 0.000 1.113 633 V CA 1.229 63.297 62.300 -0.387 0.000 1.137 633 V CB 0.804 32.510 31.823 -0.196 0.000 0.865 633 V HN 1.070 nan 8.190 nan 0.000 0.482 634 C N -1.738 117.019 119.300 -0.904 0.000 3.249 634 C HA 0.482 4.942 4.460 -0.000 0.000 0.358 634 C C -1.294 173.582 174.990 -0.190 0.000 1.187 634 C CA -1.537 57.261 59.018 -0.365 0.000 1.170 634 C CB 0.236 27.900 27.740 -0.126 0.000 1.478 634 C HN 0.406 nan 8.230 nan 0.000 0.508 635 F N 3.272 123.212 119.950 -0.018 0.000 2.385 635 F HA 0.766 5.293 4.527 -0.000 0.000 0.360 635 F C -0.329 175.442 175.800 -0.049 0.000 1.122 635 F CA -0.825 57.178 58.000 0.004 0.000 1.090 635 F CB 0.503 39.583 39.000 0.133 0.000 1.150 635 F HN 0.740 nan 8.300 nan 0.000 0.472 636 I N 5.978 126.189 120.570 -0.597 0.000 2.395 636 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 636 I C -0.080 175.401 176.117 -1.061 0.000 1.023 636 I CA 0.559 61.523 61.300 -0.559 0.000 1.350 636 I CB 0.980 38.851 38.000 -0.215 0.000 1.409 636 I HN 0.757 nan 8.210 nan 0.000 0.507 637 S N 5.027 120.279 115.700 -0.746 0.000 2.732 637 S HA 0.719 5.189 4.470 -0.000 0.000 0.293 637 S C 0.856 175.264 174.600 -0.321 0.000 1.159 637 S CA -0.209 57.510 58.200 -0.803 0.000 0.847 637 S CB 1.061 63.985 63.200 -0.461 0.000 1.169 637 S HN 0.678 nan 8.310 nan 0.000 0.501 638 A N 0.507 123.232 122.820 -0.159 0.000 2.032 638 A HA -0.095 4.225 4.320 -0.000 0.000 0.221 638 A C 1.392 179.022 177.584 0.077 0.000 1.165 638 A CA 1.991 54.102 52.037 0.124 0.000 0.645 638 A CB -1.165 17.910 19.000 0.125 0.000 0.807 638 A HN 0.801 nan 8.150 nan 0.000 0.453 639 D N -0.178 120.237 120.400 0.025 0.000 2.378 639 D HA -0.039 4.601 4.640 -0.000 0.000 0.227 639 D C 0.718 177.040 176.300 0.037 0.000 1.012 639 D CA 0.581 54.599 54.000 0.030 0.000 0.905 639 D CB -0.067 40.748 40.800 0.026 0.000 0.895 639 D HN 0.459 nan 8.370 nan 0.000 0.532 640 D N -0.174 120.252 120.400 0.044 0.000 2.366 640 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 640 D C 0.808 177.153 176.300 0.076 0.000 1.022 640 D CA 0.038 54.075 54.000 0.062 0.000 0.868 640 D CB 1.151 41.979 40.800 0.046 0.000 0.953 640 D HN 0.032 nan 8.370 nan 0.000 0.514 641 V N 3.129 123.078 119.914 0.058 0.000 2.485 641 V HA 0.091 4.211 4.120 -0.000 0.000 0.287 641 V C -2.096 173.967 176.094 -0.052 0.000 1.022 641 V CA -0.823 61.472 62.300 -0.008 0.000 1.067 641 V CB 1.327 33.147 31.823 -0.005 0.000 0.967 641 V HN -0.106 nan 8.190 nan 0.000 0.479 642 P HA 0.368 nan 4.420 nan 0.000 0.259 642 P C 0.564 177.798 177.300 -0.109 0.000 1.530 642 P CA 0.456 63.494 63.100 -0.103 0.000 1.022 642 P CB 0.662 32.272 31.700 -0.151 0.000 1.514 643 G N -0.578 108.157 108.800 -0.109 0.000 2.465 643 G HA2 0.337 4.297 3.960 -0.000 0.000 0.178 643 G HA3 0.337 4.297 3.960 -0.000 0.000 0.178 643 G C -0.585 174.270 174.900 -0.076 0.000 1.591 643 G CA 0.125 45.161 45.100 -0.106 0.000 0.689 643 G HN 0.285 nan 8.290 nan 0.000 0.708 644 S N -0.161 115.491 115.700 -0.079 0.000 2.550 644 S HA 0.219 4.689 4.470 -0.000 0.000 0.274 644 S C -0.308 174.248 174.600 -0.073 0.000 1.110 644 S CA -0.235 57.925 58.200 -0.068 0.000 1.013 644 S CB 1.178 64.334 63.200 -0.075 0.000 1.152 644 S HN 0.308 nan 8.310 nan 0.000 0.450 645 N N 3.910 122.581 118.700 -0.049 0.000 2.521 645 N HA 0.100 4.840 4.740 -0.000 0.000 0.188 645 N C 0.281 175.762 175.510 -0.048 0.000 1.146 645 N CA 0.443 53.468 53.050 -0.041 0.000 0.893 645 N CB -0.039 38.449 38.487 0.001 0.000 0.975 645 N HN 0.780 nan 8.380 nan 0.000 0.451 646 I N 0.026 120.558 120.570 -0.063 0.000 2.359 646 I HA 0.285 4.455 4.170 -0.000 0.000 0.284 646 I C -0.090 175.952 176.117 -0.125 0.000 1.018 646 I CA -0.218 61.041 61.300 -0.068 0.000 1.173 646 I CB 1.020 38.991 38.000 -0.048 0.000 1.326 646 I HN -0.114 nan 8.210 nan 0.000 0.462 647 T N 4.198 118.667 114.554 -0.142 0.000 2.541 647 T HA 0.814 5.164 4.350 -0.000 0.000 0.222 647 T C -0.126 174.442 174.700 -0.221 0.000 0.819 647 T CA 0.156 62.100 62.100 -0.259 0.000 1.203 647 T CB 0.775 69.501 68.868 -0.236 0.000 1.640 647 T HN 1.068 nan 8.240 nan 0.000 0.507 648 G N 0.396 109.076 108.800 -0.200 0.000 2.829 648 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.628 648 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.628 648 G C 0.396 175.203 174.900 -0.154 0.000 1.412 648 G CA 0.072 45.148 45.100 -0.040 0.000 0.864 648 G HN 1.032 nan 8.290 nan 0.000 0.544 649 I N -1.484 119.129 120.570 0.073 0.000 3.854 649 I HA 0.238 4.408 4.170 -0.000 0.000 0.312 649 I C 1.512 177.678 176.117 0.081 0.000 1.273 649 I CA 0.864 62.263 61.300 0.164 0.000 1.298 649 I CB 0.165 38.354 38.000 0.315 0.000 1.071 649 I HN 0.614 nan 8.210 nan 0.000 0.428 650 C N 1.986 121.313 119.300 0.046 0.000 2.469 650 C HA 0.425 4.885 4.460 -0.000 0.000 0.298 650 C C 0.965 175.957 174.990 0.003 0.000 1.436 650 C CA -0.707 58.329 59.018 0.031 0.000 1.783 650 C CB -2.311 25.460 27.740 0.053 0.000 2.726 650 C HN 0.595 nan 8.230 nan 0.000 0.541 651 N N 1.940 120.613 118.700 -0.045 0.000 2.661 651 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 651 N C 0.546 176.045 175.510 -0.017 0.000 1.142 651 N CA 1.231 54.244 53.050 -0.061 0.000 0.727 651 N CB -0.405 38.046 38.487 -0.060 0.000 1.099 651 N HN 0.723 nan 8.380 nan 0.000 0.558 652 D N 0.686 121.097 120.400 0.018 0.000 2.097 652 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 652 D C 1.206 177.516 176.300 0.017 0.000 0.989 652 D CA 1.470 55.495 54.000 0.041 0.000 0.827 652 D CB 0.165 41.021 40.800 0.093 0.000 0.966 652 D HN 0.692 nan 8.370 nan 0.000 0.456 653 E N 0.918 121.120 120.200 0.003 0.000 2.601 653 E HA 0.411 4.761 4.350 -0.000 0.000 0.250 653 E C -0.756 175.851 176.600 0.012 0.000 1.099 653 E CA -0.775 55.630 56.400 0.007 0.000 0.968 653 E CB 0.913 30.613 29.700 -0.001 0.000 1.290 653 E HN -0.188 nan 8.360 nan 0.000 0.505 654 T N -0.165 114.422 114.554 0.056 0.000 2.809 654 T HA 0.247 4.597 4.350 -0.000 0.000 0.284 654 T C 1.100 175.821 174.700 0.034 0.000 0.992 654 T CA -0.791 61.346 62.100 0.061 0.000 0.957 654 T CB 1.519 70.478 68.868 0.151 0.000 0.942 654 T HN 0.343 nan 8.240 nan 0.000 0.439 655 V N 1.670 121.548 119.914 -0.060 0.000 2.278 655 V HA -0.085 4.035 4.120 -0.000 0.000 0.251 655 V C 0.539 176.422 176.094 -0.353 0.000 1.062 655 V CA 1.539 63.709 62.300 -0.217 0.000 1.038 655 V CB -0.700 30.957 31.823 -0.277 0.000 0.646 655 V HN 0.835 nan 8.190 nan 0.000 0.447 656 F N -1.083 118.865 119.950 -0.003 0.000 2.507 656 F HA 0.695 5.222 4.527 -0.000 0.000 0.325 656 F C 0.444 176.224 175.800 -0.034 0.000 1.116 656 F CA -0.908 57.076 58.000 -0.025 0.000 0.930 656 F CB 1.250 40.217 39.000 -0.055 0.000 1.146 656 F HN 0.042 nan 8.300 nan 0.000 0.447 657 A N 3.740 126.610 122.820 0.084 0.000 2.565 657 A HA 0.132 4.452 4.320 -0.000 0.000 0.237 657 A C -0.306 177.287 177.584 0.015 0.000 1.053 657 A CA 0.202 52.196 52.037 -0.071 0.000 0.755 657 A CB 0.145 18.901 19.000 -0.407 0.000 0.980 657 A HN 0.758 nan 8.150 nan 0.000 0.506 658 K N 1.768 122.190 120.400 0.036 0.000 2.358 658 K HA 0.420 4.740 4.320 -0.000 0.000 0.260 658 K C -0.402 176.223 176.600 0.042 0.000 0.956 658 K CA -0.355 55.957 56.287 0.041 0.000 0.834 658 K CB 0.747 33.275 32.500 0.048 0.000 1.102 658 K HN 0.754 nan 8.250 nan 0.000 0.431 659 D N 1.114 121.538 120.400 0.039 0.000 2.719 659 D HA -0.239 4.401 4.640 -0.000 0.000 0.170 659 D C -0.621 175.718 176.300 0.065 0.000 1.631 659 D CA 2.074 56.103 54.000 0.048 0.000 1.883 659 D CB -0.525 40.304 40.800 0.047 0.000 1.378 659 D HN 0.738 nan 8.370 nan 0.000 0.448 660 K N -0.694 119.749 120.400 0.071 0.000 2.562 660 K HA 0.560 4.880 4.320 -0.000 0.000 0.267 660 K C -0.588 176.067 176.600 0.092 0.000 0.938 660 K CA -0.926 55.416 56.287 0.092 0.000 0.840 660 K CB 2.760 35.317 32.500 0.095 0.000 1.390 660 K HN 0.030 nan 8.250 nan 0.000 0.428 661 V N -0.499 119.475 119.914 0.101 0.000 2.532 661 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 661 V C 0.627 176.762 176.094 0.068 0.000 1.041 661 V CA 0.350 62.749 62.300 0.164 0.000 0.926 661 V CB 1.176 33.072 31.823 0.122 0.000 0.992 661 V HN 1.089 nan 8.190 nan 0.000 0.457 662 T N 0.211 114.828 114.554 0.105 0.000 2.969 662 T HA 0.230 4.580 4.350 -0.000 0.000 0.250 662 T C 0.674 175.297 174.700 -0.129 0.000 1.021 662 T CA 0.648 62.620 62.100 -0.214 0.000 1.003 662 T CB -0.068 68.650 68.868 -0.250 0.000 1.040 662 T HN 1.404 nan 8.240 nan 0.000 0.492 663 C N 0.127 119.401 119.300 -0.044 0.000 3.235 663 C HA 0.837 5.297 4.460 -0.000 0.000 0.351 663 C C 0.926 175.937 174.990 0.035 0.000 1.520 663 C CA -0.621 58.388 59.018 -0.014 0.000 1.474 663 C CB 1.106 28.823 27.740 -0.039 0.000 2.019 663 C HN 0.151 nan 8.230 nan 0.000 0.446 664 V N 1.836 121.771 119.914 0.036 0.000 3.292 664 V HA 0.544 4.664 4.120 -0.000 0.000 0.372 664 V C 1.205 177.341 176.094 0.070 0.000 1.249 664 V CA 0.905 63.231 62.300 0.043 0.000 1.378 664 V CB -1.403 30.441 31.823 0.036 0.000 1.245 664 V HN 1.859 nan 8.190 nan 0.000 0.467 665 G N 0.311 109.170 108.800 0.098 0.000 2.766 665 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.208 665 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.208 665 G C -0.143 174.865 174.900 0.180 0.000 0.991 665 G CA -0.352 44.839 45.100 0.152 0.000 1.212 665 G HN 0.780 nan 8.290 nan 0.000 0.617 666 H N -0.317 118.781 119.070 0.046 0.000 2.477 666 H HA -0.201 4.355 4.556 -0.000 0.000 0.270 666 H C 1.204 176.588 175.328 0.094 0.000 0.728 666 H CA 0.564 56.648 56.048 0.059 0.000 0.877 666 H CB 0.119 29.909 29.762 0.047 0.000 1.447 666 H HN 0.618 nan 8.280 nan 0.000 0.260 667 I N 7.501 128.221 120.570 0.249 0.000 2.664 667 I HA -0.147 4.023 4.170 -0.000 0.000 0.284 667 I C 1.633 177.828 176.117 0.129 0.000 1.154 667 I CA 0.320 61.742 61.300 0.202 0.000 1.402 667 I CB 0.313 38.459 38.000 0.244 0.000 1.395 667 I HN 0.544 nan 8.210 nan 0.000 0.545 668 I N 4.711 125.330 120.570 0.081 0.000 2.585 668 I HA 0.174 4.344 4.170 -0.000 0.000 0.254 668 I C 1.271 177.319 176.117 -0.115 0.000 1.129 668 I CA 0.550 61.857 61.300 0.012 0.000 1.455 668 I CB 0.031 38.058 38.000 0.045 0.000 1.111 668 I HN 0.815 nan 8.210 nan 0.000 0.433 669 G N 0.082 108.778 108.800 -0.173 0.000 2.427 669 G HA2 0.685 4.645 3.960 -0.000 0.000 0.306 669 G HA3 0.685 4.645 3.960 -0.000 0.000 0.306 669 G C -2.118 172.592 174.900 -0.316 0.000 1.280 669 G CA 0.124 44.789 45.100 -0.726 0.000 0.837 669 G HN 0.223 nan 8.290 nan 0.000 0.482 670 A N -1.157 121.413 122.820 -0.416 0.000 2.549 670 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 670 A C -0.492 177.079 177.584 -0.020 0.000 1.061 670 A CA -0.062 51.932 52.037 -0.072 0.000 0.690 670 A CB 1.478 20.486 19.000 0.013 0.000 1.287 670 A HN 2.090 nan 8.150 nan 0.000 0.402 671 V N -0.546 119.442 119.914 0.124 0.000 2.713 671 V HA 0.825 4.945 4.120 -0.000 0.000 0.307 671 V C -0.209 175.882 176.094 -0.004 0.000 1.052 671 V CA -0.798 61.590 62.300 0.148 0.000 0.967 671 V CB 1.403 33.370 31.823 0.241 0.000 1.019 671 V HN 0.693 nan 8.190 nan 0.000 0.459 672 V N 2.826 122.643 119.914 -0.160 0.000 2.376 672 V HA 0.856 4.976 4.120 -0.000 0.000 0.287 672 V C 0.426 176.409 176.094 -0.186 0.000 1.015 672 V CA 0.501 62.708 62.300 -0.155 0.000 0.834 672 V CB 0.547 32.282 31.823 -0.147 0.000 1.001 672 V HN 1.380 nan 8.190 nan 0.000 0.428 673 A N 3.727 126.517 122.820 -0.051 0.000 2.686 673 A HA 0.749 5.069 4.320 -0.000 0.000 0.263 673 A C 0.693 178.307 177.584 0.050 0.000 1.264 673 A CA 0.224 52.265 52.037 0.006 0.000 0.799 673 A CB 1.051 20.116 19.000 0.108 0.000 1.363 673 A HN 0.648 nan 8.150 nan 0.000 0.507 674 D N -1.135 119.333 120.400 0.112 0.000 2.388 674 D HA 0.083 4.723 4.640 -0.000 0.000 0.208 674 D C 0.746 177.080 176.300 0.056 0.000 1.035 674 D CA 1.439 55.490 54.000 0.086 0.000 0.875 674 D CB -0.042 40.823 40.800 0.107 0.000 0.984 674 D HN 0.623 nan 8.370 nan 0.000 0.508 675 T N -1.945 112.637 114.554 0.046 0.000 2.907 675 T HA 0.438 4.788 4.350 -0.000 0.000 0.290 675 T C -2.254 172.443 174.700 -0.004 0.000 1.066 675 T CA -1.691 60.385 62.100 -0.041 0.000 1.012 675 T CB 2.735 71.480 68.868 -0.205 0.000 1.184 675 T HN -0.310 nan 8.240 nan 0.000 0.522 676 P HA 0.109 nan 4.420 nan 0.000 0.231 676 P C 0.458 177.774 177.300 0.026 0.000 1.168 676 P CA 0.755 63.867 63.100 0.020 0.000 0.779 676 P CB 0.202 31.912 31.700 0.018 0.000 0.844 677 E N -1.196 118.992 120.200 -0.020 0.000 2.385 677 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 677 E C 1.809 178.473 176.600 0.108 0.000 1.013 677 E CA 0.588 56.998 56.400 0.017 0.000 0.866 677 E CB -0.729 28.966 29.700 -0.008 0.000 0.832 677 E HN 0.534 nan 8.360 nan 0.000 0.500 678 H N -0.526 118.578 119.070 0.057 0.000 2.403 678 H HA 0.011 4.567 4.556 -0.000 0.000 0.298 678 H C 1.900 177.279 175.328 0.085 0.000 1.059 678 H CA 1.090 57.182 56.048 0.072 0.000 1.363 678 H CB 0.300 30.107 29.762 0.076 0.000 1.410 678 H HN 0.057 nan 8.280 nan 0.000 0.528 679 T N 0.354 115.023 114.554 0.191 0.000 2.544 679 T HA -0.259 4.091 4.350 -0.000 0.000 0.264 679 T C 2.045 176.819 174.700 0.123 0.000 1.096 679 T CA 1.480 63.660 62.100 0.134 0.000 1.181 679 T CB -0.253 68.667 68.868 0.087 0.000 0.864 679 T HN 0.303 nan 8.240 nan 0.000 0.415 680 Q N 0.597 120.453 119.800 0.094 0.000 1.992 680 Q HA -0.247 4.093 4.340 -0.000 0.000 0.216 680 Q C 2.480 178.531 176.000 0.086 0.000 1.047 680 Q CA 2.151 58.000 55.803 0.076 0.000 0.899 680 Q CB -0.511 28.265 28.738 0.063 0.000 1.021 680 Q HN 0.601 nan 8.270 nan 0.000 0.421 681 R N -0.208 120.354 120.500 0.104 0.000 2.119 681 R HA -0.182 4.158 4.340 -0.000 0.000 0.246 681 R C 2.258 178.609 176.300 0.085 0.000 1.146 681 R CA 1.452 57.606 56.100 0.091 0.000 0.962 681 R CB -0.691 29.670 30.300 0.101 0.000 0.863 681 R HN 0.333 nan 8.270 nan 0.000 0.442 682 A N 1.846 124.746 122.820 0.134 0.000 1.828 682 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 682 A C 2.526 180.190 177.584 0.134 0.000 1.203 682 A CA 1.828 53.967 52.037 0.170 0.000 0.614 682 A CB -1.076 18.133 19.000 0.349 0.000 0.844 682 A HN 0.384 nan 8.150 nan 0.000 0.445 683 A N -1.308 121.599 122.820 0.144 0.000 2.081 683 A HA -0.431 3.889 4.320 -0.000 0.000 0.229 683 A C 2.031 179.653 177.584 0.064 0.000 1.441 683 A CA 3.158 55.260 52.037 0.109 0.000 0.714 683 A CB -0.694 18.359 19.000 0.088 0.000 0.831 683 A HN 0.705 nan 8.150 nan 0.000 0.531 684 Q N -2.524 117.304 119.800 0.046 0.000 2.263 684 Q HA 0.332 4.672 4.340 -0.000 0.000 0.196 684 Q C 1.871 177.869 176.000 -0.003 0.000 0.965 684 Q CA 2.086 57.905 55.803 0.026 0.000 0.851 684 Q CB -0.991 27.766 28.738 0.032 0.000 0.948 684 Q HN 0.880 nan 8.270 nan 0.000 0.516 685 G N 0.973 109.759 108.800 -0.022 0.000 3.159 685 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.338 685 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.338 685 G C 0.507 175.347 174.900 -0.100 0.000 1.618 685 G CA 1.931 46.996 45.100 -0.059 0.000 1.726 685 G HN 0.974 nan 8.290 nan 0.000 0.932 686 V N 1.381 121.231 119.914 -0.107 0.000 2.530 686 V HA 0.664 4.784 4.120 -0.000 0.000 0.282 686 V C 0.110 176.117 176.094 -0.145 0.000 1.048 686 V CA 0.485 62.663 62.300 -0.204 0.000 0.997 686 V CB 1.459 33.074 31.823 -0.347 0.000 0.987 686 V HN 0.705 nan 8.190 nan 0.000 0.477 687 K N 7.602 127.905 120.400 -0.161 0.000 2.545 687 K HA 0.502 4.822 4.320 -0.000 0.000 0.252 687 K C -0.987 175.514 176.600 -0.166 0.000 0.948 687 K CA -0.846 55.367 56.287 -0.123 0.000 0.827 687 K CB 1.531 33.972 32.500 -0.098 0.000 1.128 687 K HN 0.859 nan 8.250 nan 0.000 0.429 688 I N 1.302 121.751 120.570 -0.203 0.000 2.607 688 I HA 0.528 4.698 4.170 -0.000 0.000 0.305 688 I C -0.608 175.213 176.117 -0.493 0.000 0.995 688 I CA -0.565 60.532 61.300 -0.337 0.000 1.148 688 I CB 0.993 38.766 38.000 -0.378 0.000 1.323 688 I HN 0.577 nan 8.210 nan 0.000 0.461 689 T N 3.348 117.619 114.554 -0.472 0.000 2.815 689 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 689 T C -0.856 173.680 174.700 -0.274 0.000 1.000 689 T CA -0.405 61.496 62.100 -0.330 0.000 0.958 689 T CB 0.368 69.154 68.868 -0.136 0.000 0.944 689 T HN 0.509 nan 8.240 nan 0.000 0.442 690 Y N 0.631 120.940 120.300 0.015 0.000 2.534 690 Y HA 0.690 5.240 4.550 -0.000 0.000 0.329 690 Y C 0.591 176.505 175.900 0.024 0.000 1.154 690 Y CA -1.299 56.815 58.100 0.024 0.000 1.192 690 Y CB 1.405 39.885 38.460 0.033 0.000 1.275 690 Y HN 0.645 nan 8.280 nan 0.000 0.491 691 E N 1.634 121.955 120.200 0.202 0.000 2.224 691 E HA 0.182 4.532 4.350 -0.000 0.000 0.265 691 E C -1.627 175.035 176.600 0.103 0.000 0.878 691 E CA -0.637 55.835 56.400 0.119 0.000 0.759 691 E CB 1.633 31.381 29.700 0.079 0.000 1.164 691 E HN 0.809 nan 8.360 nan 0.000 0.414 692 E N 5.280 125.521 120.200 0.068 0.000 2.073 692 E HA 0.204 4.554 4.350 -0.000 0.000 0.269 692 E C -0.630 175.976 176.600 0.010 0.000 0.917 692 E CA -0.744 55.683 56.400 0.045 0.000 0.757 692 E CB 0.615 30.333 29.700 0.030 0.000 1.111 692 E HN 0.361 nan 8.360 nan 0.000 0.410 693 L N 5.620 126.841 121.223 -0.003 0.000 2.472 693 L HA 0.291 4.631 4.340 -0.000 0.000 0.260 693 L C -1.800 174.970 176.870 -0.166 0.000 1.209 693 L CA -1.445 53.328 54.840 -0.111 0.000 0.817 693 L CB -0.408 41.512 42.059 -0.231 0.000 1.106 693 L HN 0.520 nan 8.230 nan 0.000 0.479 694 P HA 0.399 nan 4.420 nan 0.000 0.281 694 P C -1.648 175.538 177.300 -0.190 0.000 1.249 694 P CA -0.593 62.410 63.100 -0.160 0.000 0.810 694 P CB 1.454 33.075 31.700 -0.130 0.000 1.008 695 A N 2.888 125.661 122.820 -0.077 0.000 2.342 695 A HA 0.645 4.965 4.320 -0.000 0.000 0.323 695 A C -0.089 177.491 177.584 -0.007 0.000 1.125 695 A CA -0.941 51.092 52.037 -0.007 0.000 0.785 695 A CB 0.459 19.469 19.000 0.016 0.000 1.221 695 A HN 0.466 nan 8.150 nan 0.000 0.463 696 I N 3.425 124.008 120.570 0.021 0.000 2.315 696 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 696 I C 0.337 176.448 176.117 -0.009 0.000 1.006 696 I CA 0.059 61.358 61.300 -0.003 0.000 1.265 696 I CB 1.209 39.208 38.000 -0.001 0.000 1.387 696 I HN 0.723 nan 8.210 nan 0.000 0.475 697 I N 2.806 123.357 120.570 -0.032 0.000 3.345 697 I HA 0.008 4.178 4.170 -0.000 0.000 0.258 697 I C 1.307 177.380 176.117 -0.074 0.000 1.134 697 I CA 0.480 61.747 61.300 -0.054 0.000 1.457 697 I CB 0.697 38.660 38.000 -0.062 0.000 1.425 697 I HN 0.631 nan 8.210 nan 0.000 0.461 698 T N 0.837 115.346 114.554 -0.075 0.000 2.904 698 T HA 0.205 4.555 4.350 -0.000 0.000 0.290 698 T C 1.632 176.283 174.700 -0.083 0.000 1.018 698 T CA -0.543 61.500 62.100 -0.095 0.000 1.075 698 T CB 0.785 69.594 68.868 -0.099 0.000 0.986 698 T HN 0.110 nan 8.240 nan 0.000 0.523 699 I N 1.512 122.021 120.570 -0.101 0.000 2.093 699 I HA -0.186 3.984 4.170 -0.000 0.000 0.239 699 I C 1.670 177.729 176.117 -0.096 0.000 1.026 699 I CA 1.644 62.889 61.300 -0.092 0.000 1.295 699 I CB -1.347 36.564 38.000 -0.148 0.000 1.007 699 I HN 0.804 nan 8.210 nan 0.000 0.401 700 E N 2.015 122.128 120.200 -0.145 0.000 2.428 700 E HA -0.019 4.331 4.350 -0.000 0.000 0.257 700 E C 0.036 176.591 176.600 -0.075 0.000 1.197 700 E CA -0.022 56.310 56.400 -0.113 0.000 0.974 700 E CB 0.472 30.097 29.700 -0.125 0.000 0.976 700 E HN 0.316 nan 8.360 nan 0.000 0.463 701 D N -0.043 120.321 120.400 -0.060 0.000 3.775 701 D HA -0.355 4.285 4.640 -0.000 0.000 0.161 701 D C 1.115 177.389 176.300 -0.043 0.000 1.031 701 D CA 2.599 56.568 54.000 -0.051 0.000 1.081 701 D CB -1.568 39.204 40.800 -0.047 0.000 0.557 701 D HN 0.801 nan 8.370 nan 0.000 0.607 702 A N -0.064 122.739 122.820 -0.028 0.000 2.186 702 A HA -0.421 3.899 4.320 -0.000 0.000 0.328 702 A C 2.178 179.737 177.584 -0.041 0.000 4.918 702 A CA 4.484 56.526 52.037 0.008 0.000 1.011 702 A CB -2.002 17.061 19.000 0.105 0.000 0.565 702 A HN 0.826 nan 8.150 nan 0.000 0.439 703 I N -1.385 119.205 120.570 0.033 0.000 2.202 703 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 703 I C 2.402 178.505 176.117 -0.023 0.000 1.091 703 I CA 1.856 63.191 61.300 0.060 0.000 1.368 703 I CB -0.589 37.471 38.000 0.099 0.000 1.058 703 I HN 0.491 nan 8.210 nan 0.000 0.410 704 K N 1.194 121.574 120.400 -0.034 0.000 2.286 704 K HA -0.169 4.151 4.320 -0.000 0.000 0.203 704 K C 1.212 177.774 176.600 -0.063 0.000 1.045 704 K CA 1.294 57.556 56.287 -0.042 0.000 0.935 704 K CB -0.092 32.383 32.500 -0.041 0.000 0.737 704 K HN 0.431 nan 8.250 nan 0.000 0.460 705 N N 0.515 119.160 118.700 -0.091 0.000 2.184 705 N HA -0.050 4.690 4.740 -0.000 0.000 0.206 705 N C -0.815 174.587 175.510 -0.179 0.000 1.151 705 N CA -0.005 52.978 53.050 -0.111 0.000 0.878 705 N CB 0.255 38.682 38.487 -0.101 0.000 1.014 705 N HN 0.199 nan 8.380 nan 0.000 0.512 706 N N 0.622 119.162 118.700 -0.265 0.000 2.501 706 N HA -0.190 4.550 4.740 -0.000 0.000 0.291 706 N C 0.355 175.501 175.510 -0.606 0.000 1.304 706 N CA 0.211 52.962 53.050 -0.499 0.000 0.686 706 N CB -0.273 38.039 38.487 -0.292 0.000 0.924 706 N HN -0.061 nan 8.380 nan 0.000 0.533 707 S N 1.566 116.761 115.700 -0.843 0.000 2.311 707 S HA 0.147 4.617 4.470 -0.000 0.000 0.209 707 S C 0.223 174.615 174.600 -0.348 0.000 1.029 707 S CA 1.008 58.932 58.200 -0.461 0.000 0.968 707 S CB -0.010 63.112 63.200 -0.130 0.000 0.946 707 S HN 0.525 nan 8.310 nan 0.000 0.450 708 F N -0.335 119.616 119.950 0.002 0.000 2.458 708 F HA 0.611 5.138 4.527 -0.000 0.000 0.336 708 F C -0.715 175.091 175.800 0.011 0.000 1.114 708 F CA -2.879 55.124 58.000 0.005 0.000 0.987 708 F CB -1.254 37.816 39.000 0.117 0.000 1.130 708 F HN 0.223 nan 8.300 nan 0.000 0.458 709 Y N 1.877 122.318 120.300 0.235 0.000 2.995 709 Y HA 0.013 4.563 4.550 -0.000 0.000 0.201 709 Y C 1.401 177.351 175.900 0.083 0.000 1.337 709 Y CA 1.175 59.351 58.100 0.127 0.000 0.814 709 Y CB -1.349 37.160 38.460 0.082 0.000 1.271 709 Y HN 1.363 nan 8.280 nan 0.000 0.390 710 G N 1.077 109.977 108.800 0.167 0.000 3.032 710 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.348 710 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.348 710 G C -2.203 172.736 174.900 0.065 0.000 1.541 710 G CA -0.768 44.394 45.100 0.104 0.000 1.020 710 G HN 0.544 nan 8.290 nan 0.000 0.562 711 P HA 0.305 nan 4.420 nan 0.000 0.276 711 P C 0.354 177.642 177.300 -0.020 0.000 1.243 711 P CA -0.036 63.079 63.100 0.026 0.000 0.768 711 P CB 0.855 32.569 31.700 0.024 0.000 0.856 712 E N 3.396 123.578 120.200 -0.029 0.000 2.900 712 E HA -0.091 4.259 4.350 -0.000 0.000 0.259 712 E C -1.011 175.557 176.600 -0.052 0.000 0.918 712 E CA 0.031 56.386 56.400 -0.075 0.000 0.960 712 E CB -0.113 29.549 29.700 -0.064 0.000 0.908 712 E HN 0.256 nan 8.360 nan 0.000 0.511 713 L N 4.577 125.755 121.223 -0.075 0.000 2.375 713 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 713 L C 0.161 177.048 176.870 0.029 0.000 1.107 713 L CA 0.320 55.136 54.840 -0.039 0.000 0.806 713 L CB 0.992 42.986 42.059 -0.110 0.000 1.146 713 L HN 0.744 nan 8.230 nan 0.000 0.447 714 K N 2.611 123.086 120.400 0.124 0.000 2.598 714 K HA 0.555 4.875 4.320 -0.000 0.000 0.271 714 K C -1.825 174.877 176.600 0.169 0.000 0.947 714 K CA -0.652 55.713 56.287 0.130 0.000 0.854 714 K CB 1.482 34.035 32.500 0.088 0.000 1.401 714 K HN 0.458 nan 8.250 nan 0.000 0.415 715 I N 1.493 122.148 120.570 0.141 0.000 2.466 715 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 715 I C -0.792 175.413 176.117 0.146 0.000 1.026 715 I CA -0.632 60.745 61.300 0.129 0.000 1.078 715 I CB 2.223 40.303 38.000 0.134 0.000 1.249 715 I HN 0.604 nan 8.210 nan 0.000 0.429 716 E N 6.344 126.617 120.200 0.122 0.000 2.234 716 E HA 0.480 4.830 4.350 -0.000 0.000 0.266 716 E C -1.194 175.468 176.600 0.103 0.000 0.877 716 E CA -0.838 55.628 56.400 0.111 0.000 0.758 716 E CB 2.927 32.678 29.700 0.085 0.000 1.170 716 E HN 0.371 nan 8.360 nan 0.000 0.415 717 K N 1.948 122.410 120.400 0.103 0.000 2.523 717 K HA 0.534 4.854 4.320 -0.000 0.000 0.257 717 K C 0.131 176.764 176.600 0.055 0.000 0.932 717 K CA 0.193 56.529 56.287 0.081 0.000 0.812 717 K CB 1.727 34.288 32.500 0.103 0.000 1.326 717 K HN 0.663 nan 8.250 nan 0.000 0.433 718 G N 2.799 111.619 108.800 0.033 0.000 2.588 718 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.273 718 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.273 718 G C -0.619 174.293 174.900 0.021 0.000 1.211 718 G CA 0.765 45.874 45.100 0.015 0.000 0.958 718 G HN 1.172 nan 8.290 nan 0.000 0.543 719 D N -2.107 118.305 120.400 0.020 0.000 10.654 719 D HA 0.302 4.942 4.640 -0.000 0.000 0.288 719 D C 0.165 176.461 176.300 -0.007 0.000 3.052 719 D CA 0.992 55.003 54.000 0.019 0.000 2.890 719 D CB -0.939 39.871 40.800 0.017 0.000 1.195 719 D HN 2.016 nan 8.370 nan 0.000 0.895 720 L N 2.729 123.953 121.223 0.001 0.000 1.231 720 L HA 0.100 4.440 4.340 -0.000 0.000 0.068 720 L C 1.031 177.958 176.870 0.095 0.000 1.471 720 L CA 0.509 55.355 54.840 0.010 0.000 1.150 720 L CB -1.524 40.575 42.059 0.067 0.000 2.354 720 L HN 0.491 nan 8.230 nan 0.000 0.450 721 K N 1.580 122.046 120.400 0.110 0.000 2.173 721 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 721 K C 1.965 178.616 176.600 0.085 0.000 1.046 721 K CA 2.319 58.676 56.287 0.116 0.000 0.929 721 K CB -0.243 32.298 32.500 0.069 0.000 0.720 721 K HN 0.441 nan 8.250 nan 0.000 0.453 722 K N -0.540 119.881 120.400 0.035 0.000 1.984 722 K HA -0.011 4.309 4.320 -0.000 0.000 0.209 722 K C 0.999 177.585 176.600 -0.024 0.000 1.046 722 K CA 1.069 57.357 56.287 0.002 0.000 0.934 722 K CB -0.628 31.862 32.500 -0.016 0.000 0.717 722 K HN 0.278 nan 8.250 nan 0.000 0.438 723 G N -0.693 108.050 108.800 -0.095 0.000 2.720 723 G HA2 0.067 4.027 3.960 -0.000 0.000 0.237 723 G HA3 0.067 4.027 3.960 -0.000 0.000 0.237 723 G C 0.007 174.817 174.900 -0.149 0.000 1.239 723 G CA 0.295 45.252 45.100 -0.238 0.000 0.847 723 G HN 0.504 nan 8.290 nan 0.000 0.593 724 F N -1.057 118.865 119.950 -0.047 0.000 2.530 724 F HA -0.388 4.139 4.527 -0.000 0.000 0.737 724 F C 2.802 178.569 175.800 -0.054 0.000 0.486 724 F CA 2.119 60.088 58.000 -0.052 0.000 0.768 724 F CB -1.546 37.429 39.000 -0.040 0.000 1.622 724 F HN 0.659 nan 8.300 nan 0.000 0.275 725 S N 0.132 115.918 115.700 0.144 0.000 2.420 725 S HA -0.203 4.267 4.470 -0.000 0.000 0.237 725 S C 1.029 175.635 174.600 0.011 0.000 1.023 725 S CA 1.941 60.174 58.200 0.056 0.000 0.991 725 S CB -0.392 62.833 63.200 0.041 0.000 0.792 725 S HN 0.709 nan 8.310 nan 0.000 0.488 726 E N 0.766 120.960 120.200 -0.010 0.000 2.465 726 E HA 0.508 4.857 4.350 -0.000 0.000 0.195 726 E C 0.202 176.762 176.600 -0.066 0.000 1.028 726 E CA -0.029 56.345 56.400 -0.042 0.000 0.899 726 E CB 0.813 30.482 29.700 -0.053 0.000 1.032 726 E HN 0.660 nan 8.360 nan 0.000 0.468 727 A N 0.375 123.157 122.820 -0.063 0.000 2.354 727 A HA 0.312 4.632 4.320 -0.000 0.000 0.321 727 A C 0.120 177.626 177.584 -0.130 0.000 1.125 727 A CA -0.661 51.313 52.037 -0.105 0.000 0.799 727 A CB 1.186 20.123 19.000 -0.105 0.000 1.293 727 A HN -0.087 nan 8.150 nan 0.000 0.452 728 D N 0.234 120.505 120.400 -0.214 0.000 2.146 728 D HA 0.014 4.654 4.640 -0.000 0.000 0.209 728 D C -0.103 176.009 176.300 -0.312 0.000 0.973 728 D CA 1.265 55.116 54.000 -0.249 0.000 0.860 728 D CB 0.168 40.798 40.800 -0.282 0.000 1.015 728 D HN 0.586 nan 8.370 nan 0.000 0.465 729 N N -0.128 118.233 118.700 -0.565 0.000 2.240 729 N HA 0.345 5.085 4.740 -0.000 0.000 0.302 729 N C -1.365 173.936 175.510 -0.348 0.000 1.106 729 N CA -0.403 52.326 53.050 -0.535 0.000 0.778 729 N CB 3.431 41.447 38.487 -0.785 0.000 1.431 729 N HN -0.191 nan 8.380 nan 0.000 0.479 730 V N 2.079 121.951 119.914 -0.070 0.000 2.447 730 V HA 0.314 4.434 4.120 -0.000 0.000 0.292 730 V C -0.448 175.703 176.094 0.095 0.000 1.021 730 V CA -0.558 61.790 62.300 0.081 0.000 0.850 730 V CB 1.383 33.237 31.823 0.051 0.000 1.005 730 V HN 0.463 nan 8.190 nan 0.000 0.426 731 V N 3.363 123.386 119.914 0.182 0.000 2.975 731 V HA 0.959 5.079 4.120 -0.000 0.000 0.318 731 V C -0.040 175.979 176.094 -0.126 0.000 1.077 731 V CA -0.651 61.664 62.300 0.024 0.000 1.000 731 V CB 1.904 33.743 31.823 0.027 0.000 1.066 731 V HN 0.819 nan 8.190 nan 0.000 0.452 732 S N 0.278 115.815 115.700 -0.271 0.000 2.511 732 S HA 0.711 5.181 4.470 -0.000 0.000 0.283 732 S C -0.336 174.020 174.600 -0.406 0.000 1.078 732 S CA 0.247 58.245 58.200 -0.337 0.000 0.994 732 S CB 0.522 63.616 63.200 -0.178 0.000 1.171 732 S HN 1.864 nan 8.310 nan 0.000 0.444 733 G N 2.275 110.665 108.800 -0.684 0.000 2.561 733 G HA2 0.699 4.659 3.960 -0.000 0.000 0.310 733 G HA3 0.699 4.659 3.960 -0.000 0.000 0.310 733 G C -1.776 173.026 174.900 -0.162 0.000 1.292 733 G CA -0.401 44.434 45.100 -0.442 0.000 0.811 733 G HN 0.710 nan 8.290 nan 0.000 0.482 734 E N -1.500 118.814 120.200 0.189 0.000 2.392 734 E HA 0.638 4.988 4.350 -0.000 0.000 0.279 734 E C -1.644 175.167 176.600 0.351 0.000 0.964 734 E CA -0.971 55.614 56.400 0.309 0.000 0.777 734 E CB 2.624 32.422 29.700 0.164 0.000 1.249 734 E HN 1.142 nan 8.360 nan 0.000 0.449 735 I N 0.439 121.205 120.570 0.328 0.000 2.842 735 I HA 0.504 4.674 4.170 -0.000 0.000 0.297 735 I C -2.259 174.035 176.117 0.296 0.000 1.380 735 I CA -0.895 60.567 61.300 0.271 0.000 1.018 735 I CB 1.982 40.117 38.000 0.224 0.000 1.311 735 I HN 0.632 nan 8.210 nan 0.000 0.439 736 Y N 7.042 127.415 120.300 0.122 0.000 2.331 736 Y HA 0.687 5.237 4.550 -0.000 0.000 0.338 736 Y C -0.842 175.108 175.900 0.085 0.000 0.976 736 Y CA -1.402 56.764 58.100 0.109 0.000 1.137 736 Y CB 1.161 39.671 38.460 0.084 0.000 1.172 736 Y HN 0.473 nan 8.280 nan 0.000 0.478 737 I N 6.233 126.673 120.570 -0.217 0.000 2.315 737 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 737 I C 1.083 176.817 176.117 -0.638 0.000 1.006 737 I CA -0.980 60.121 61.300 -0.333 0.000 1.265 737 I CB 0.915 38.847 38.000 -0.112 0.000 1.387 737 I HN 0.830 nan 8.210 nan 0.000 0.475 738 G N 4.285 112.752 108.800 -0.555 0.000 2.460 738 G HA2 0.240 4.200 3.960 -0.000 0.000 0.230 738 G HA3 0.240 4.200 3.960 -0.000 0.000 0.230 738 G C 0.470 175.277 174.900 -0.154 0.000 1.248 738 G CA -0.009 44.891 45.100 -0.334 0.000 0.863 738 G HN 0.849 nan 8.290 nan 0.000 0.549 739 G N -0.506 108.258 108.800 -0.060 0.000 2.537 739 G HA2 0.593 4.553 3.960 -0.000 0.000 0.297 739 G HA3 0.593 4.553 3.960 -0.000 0.000 0.297 739 G C -0.371 174.522 174.900 -0.011 0.000 1.310 739 G CA -0.203 44.894 45.100 -0.004 0.000 1.027 739 G HN 0.871 nan 8.290 nan 0.000 0.505 740 Q N -1.138 118.641 119.800 -0.036 0.000 2.472 740 Q HA 0.387 4.727 4.340 -0.000 0.000 0.281 740 Q C -1.573 174.443 176.000 0.026 0.000 0.997 740 Q CA -0.735 55.049 55.803 -0.032 0.000 0.828 740 Q CB 2.170 30.730 28.738 -0.296 0.000 1.443 740 Q HN 0.516 nan 8.270 nan 0.000 0.390 741 E N 0.576 120.855 120.200 0.133 0.000 2.343 741 E HA 0.178 4.528 4.350 -0.000 0.000 0.269 741 E C -0.255 176.412 176.600 0.111 0.000 1.047 741 E CA 0.331 56.711 56.400 -0.033 0.000 0.874 741 E CB 0.785 30.105 29.700 -0.634 0.000 1.033 741 E HN 0.700 nan 8.360 nan 0.000 0.409 742 H N 3.565 122.539 119.070 -0.160 0.000 2.333 742 H HA 0.065 4.620 4.556 -0.000 0.000 0.302 742 H C 0.003 174.926 175.328 -0.676 0.000 1.075 742 H CA 1.410 57.054 56.048 -0.672 0.000 1.348 742 H CB -0.237 28.848 29.762 -1.128 0.000 1.393 742 H HN 0.679 nan 8.280 nan 0.000 0.509 743 F N 0.847 120.430 119.950 -0.612 0.000 2.943 743 F HA -0.293 4.234 4.527 -0.000 0.000 0.258 743 F C -0.753 174.817 175.800 -0.384 0.000 0.995 743 F CA -0.711 57.053 58.000 -0.394 0.000 0.896 743 F CB -1.318 37.599 39.000 -0.138 0.000 0.821 743 F HN 0.104 nan 8.300 nan 0.000 0.828 744 Y N -0.547 119.705 120.300 -0.079 0.000 2.330 744 Y HA 0.311 4.861 4.550 -0.000 0.000 0.341 744 Y C 1.180 177.094 175.900 0.024 0.000 1.278 744 Y CA -1.330 56.781 58.100 0.020 0.000 1.453 744 Y CB 0.018 38.478 38.460 -0.000 0.000 1.342 744 Y HN 0.077 nan 8.280 nan 0.000 0.590 745 L N -0.306 121.053 121.223 0.227 0.000 2.162 745 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 745 L C 1.049 177.782 176.870 -0.229 0.000 1.086 745 L CA 0.726 55.659 54.840 0.154 0.000 0.778 745 L CB -0.187 42.093 42.059 0.369 0.000 0.928 745 L HN 0.790 nan 8.230 nan 0.000 0.446 746 E N 1.441 121.173 120.200 -0.780 0.000 2.290 746 E HA 0.060 4.410 4.350 -0.000 0.000 0.277 746 E C -0.072 176.182 176.600 -0.577 0.000 1.035 746 E CA -0.141 55.694 56.400 -0.941 0.000 0.873 746 E CB 1.120 30.124 29.700 -1.160 0.000 1.029 746 E HN 0.108 nan 8.360 nan 0.000 0.419 747 T N 2.147 116.453 114.554 -0.414 0.000 2.852 747 T HA 0.173 4.523 4.350 -0.000 0.000 0.281 747 T C 0.396 174.834 174.700 -0.437 0.000 0.993 747 T CA -0.593 61.302 62.100 -0.342 0.000 0.933 747 T CB 0.728 69.529 68.868 -0.112 0.000 1.187 747 T HN 0.490 nan 8.240 nan 0.000 0.559 748 H N -0.835 118.069 119.070 -0.277 0.000 2.771 748 H HA 0.424 4.980 4.556 -0.000 0.000 0.364 748 H C 0.092 175.333 175.328 -0.145 0.000 1.133 748 H CA 0.289 56.195 56.048 -0.237 0.000 1.423 748 H CB 0.857 30.522 29.762 -0.162 0.000 1.425 748 H HN 0.768 nan 8.280 nan 0.000 0.606 749 C N 2.062 121.371 119.300 0.016 0.000 3.254 749 C HA 0.357 4.817 4.460 -0.000 0.000 0.405 749 C C -1.119 173.892 174.990 0.035 0.000 1.027 749 C CA -0.345 58.686 59.018 0.020 0.000 1.192 749 C CB 0.610 28.347 27.740 -0.005 0.000 1.567 749 C HN 0.861 nan 8.230 nan 0.000 0.582 750 T N 6.456 121.037 114.554 0.046 0.000 3.011 750 T HA 0.513 4.863 4.350 -0.000 0.000 0.303 750 T C -0.709 174.040 174.700 0.082 0.000 0.997 750 T CA -0.220 61.913 62.100 0.055 0.000 1.007 750 T CB 0.940 69.823 68.868 0.025 0.000 1.017 750 T HN 0.625 nan 8.240 nan 0.000 0.443 751 I N 2.639 123.289 120.570 0.134 0.000 2.321 751 I HA 0.652 4.822 4.170 -0.000 0.000 0.291 751 I C 0.279 176.502 176.117 0.176 0.000 0.998 751 I CA -0.965 60.442 61.300 0.178 0.000 1.227 751 I CB 1.274 39.435 38.000 0.268 0.000 1.368 751 I HN 0.650 nan 8.210 nan 0.000 0.466 752 A N 6.342 129.237 122.820 0.126 0.000 2.303 752 A HA 0.628 4.948 4.320 -0.000 0.000 0.320 752 A C -0.784 176.855 177.584 0.093 0.000 1.192 752 A CA -0.567 51.517 52.037 0.079 0.000 0.821 752 A CB 1.658 20.686 19.000 0.046 0.000 1.188 752 A HN 0.537 nan 8.150 nan 0.000 0.492 753 V N 5.260 125.219 119.914 0.075 0.000 2.325 753 V HA 0.556 4.676 4.120 -0.000 0.000 0.280 753 V C -2.641 173.465 176.094 0.019 0.000 1.016 753 V CA -2.259 60.087 62.300 0.077 0.000 0.818 753 V CB 1.814 33.753 31.823 0.193 0.000 1.019 753 V HN 0.744 nan 8.190 nan 0.000 0.434 754 P HA 0.295 nan 4.420 nan 0.000 0.276 754 P C 0.150 177.434 177.300 -0.028 0.000 1.264 754 P CA -0.114 62.982 63.100 -0.007 0.000 0.769 754 P CB 0.976 32.670 31.700 -0.008 0.000 0.840 755 K N 2.419 122.810 120.400 -0.015 0.000 2.076 755 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 755 K C 1.445 178.033 176.600 -0.020 0.000 1.051 755 K CA 1.207 57.483 56.287 -0.018 0.000 0.949 755 K CB -0.365 32.132 32.500 -0.005 0.000 0.726 755 K HN 0.717 nan 8.250 nan 0.000 0.443 756 G N 1.682 110.475 108.800 -0.011 0.000 2.253 756 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.209 756 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.209 756 G C -0.476 174.418 174.900 -0.010 0.000 0.997 756 G CA -0.091 44.999 45.100 -0.017 0.000 0.640 756 G HN 0.425 nan 8.290 nan 0.000 0.496 757 E N -0.239 119.959 120.200 -0.003 0.000 2.151 757 E HA 0.655 5.005 4.350 -0.000 0.000 0.275 757 E C 0.850 177.455 176.600 0.008 0.000 0.936 757 E CA -0.468 55.932 56.400 0.001 0.000 0.777 757 E CB 1.892 31.592 29.700 -0.001 0.000 1.108 757 E HN 1.620 nan 8.360 nan 0.000 0.401 758 A N 3.168 125.995 122.820 0.013 0.000 2.979 758 A HA -0.212 4.108 4.320 -0.000 0.000 0.260 758 A C 1.438 179.036 177.584 0.023 0.000 1.282 758 A CA 1.336 53.383 52.037 0.017 0.000 0.971 758 A CB -2.174 16.832 19.000 0.010 0.000 1.124 758 A HN 1.747 nan 8.150 nan 0.000 0.826 759 G N -2.099 106.720 108.800 0.032 0.000 2.184 759 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.206 759 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.206 759 G C -0.120 174.802 174.900 0.037 0.000 0.995 759 G CA 0.868 45.999 45.100 0.051 0.000 0.651 759 G HN 1.247 nan 8.290 nan 0.000 0.511 760 E N -0.049 120.162 120.200 0.019 0.000 2.534 760 E HA 0.457 4.807 4.350 -0.000 0.000 0.264 760 E C 0.371 176.976 176.600 0.007 0.000 0.981 760 E CA 0.809 57.213 56.400 0.007 0.000 0.948 760 E CB 0.333 30.035 29.700 0.002 0.000 0.934 760 E HN 0.454 nan 8.360 nan 0.000 0.459 761 M N 2.435 122.030 119.600 -0.009 0.000 2.414 761 M HA 0.208 4.688 4.480 -0.000 0.000 0.287 761 M C -1.881 174.382 176.300 -0.061 0.000 1.181 761 M CA -0.423 54.866 55.300 -0.019 0.000 0.933 761 M CB 1.905 34.502 32.600 -0.006 0.000 1.732 761 M HN 0.520 nan 8.290 nan 0.000 0.486 762 E N 3.856 124.000 120.200 -0.092 0.000 2.210 762 E HA 0.678 5.028 4.350 -0.000 0.000 0.266 762 E C -2.189 174.214 176.600 -0.328 0.000 0.883 762 E CA -0.648 55.626 56.400 -0.210 0.000 0.761 762 E CB 1.761 31.349 29.700 -0.187 0.000 1.156 762 E HN 0.593 nan 8.360 nan 0.000 0.412 763 L N 4.292 125.260 121.223 -0.425 0.000 2.386 763 L HA 0.482 4.822 4.340 -0.000 0.000 0.271 763 L C -1.235 175.326 176.870 -0.515 0.000 0.993 763 L CA -0.320 54.313 54.840 -0.344 0.000 0.819 763 L CB 1.538 43.500 42.059 -0.162 0.000 1.294 763 L HN 0.578 nan 8.230 nan 0.000 0.414 764 F N 3.022 122.981 119.950 0.015 0.000 2.361 764 F HA 0.697 5.224 4.527 -0.000 0.000 0.364 764 F C -0.176 175.625 175.800 0.001 0.000 1.117 764 F CA -0.798 57.209 58.000 0.011 0.000 1.071 764 F CB 1.390 40.403 39.000 0.022 0.000 1.188 764 F HN 0.027 nan 8.300 nan 0.000 0.464 765 V N 1.514 121.483 119.914 0.092 0.000 2.888 765 V HA 0.324 4.444 4.120 -0.000 0.000 0.309 765 V C -0.378 175.723 176.094 0.012 0.000 1.114 765 V CA -1.015 61.306 62.300 0.034 0.000 0.940 765 V CB 2.107 33.919 31.823 -0.020 0.000 1.021 765 V HN 0.605 nan 8.190 nan 0.000 0.426 766 S N 2.816 118.511 115.700 -0.008 0.000 3.363 766 S HA 0.516 4.986 4.470 -0.000 0.000 0.267 766 S C -0.085 174.465 174.600 -0.082 0.000 1.288 766 S CA 0.095 58.264 58.200 -0.051 0.000 0.948 766 S CB -0.350 62.789 63.200 -0.102 0.000 1.397 766 S HN 1.103 nan 8.310 nan 0.000 0.493 767 T N 2.315 116.828 114.554 -0.068 0.000 2.864 767 T HA 0.407 4.757 4.350 -0.000 0.000 0.299 767 T C 0.514 175.169 174.700 -0.075 0.000 1.166 767 T CA -0.511 61.544 62.100 -0.075 0.000 1.007 767 T CB 1.676 70.504 68.868 -0.068 0.000 1.219 767 T HN 0.434 nan 8.240 nan 0.000 0.506 768 Q N 0.557 120.312 119.800 -0.074 0.000 2.339 768 Q HA 0.203 4.543 4.340 -0.000 0.000 0.205 768 Q C 0.358 176.325 176.000 -0.054 0.000 0.925 768 Q CA 0.192 55.957 55.803 -0.064 0.000 0.898 768 Q CB 0.260 28.962 28.738 -0.060 0.000 1.013 768 Q HN 0.475 nan 8.270 nan 0.000 0.504 769 N N 0.737 119.396 118.700 -0.068 0.000 2.678 769 N HA 0.047 4.787 4.740 -0.000 0.000 0.231 769 N C 0.094 175.540 175.510 -0.107 0.000 1.038 769 N CA 0.194 53.196 53.050 -0.082 0.000 0.932 769 N CB 1.208 39.640 38.487 -0.092 0.000 1.176 769 N HN -0.046 nan 8.380 nan 0.000 0.511 770 T N 2.617 117.120 114.554 -0.085 0.000 2.770 770 T HA -0.062 4.288 4.350 -0.000 0.000 0.263 770 T C 1.877 176.521 174.700 -0.094 0.000 1.039 770 T CA 0.983 63.031 62.100 -0.087 0.000 1.142 770 T CB 0.018 68.843 68.868 -0.072 0.000 0.868 770 T HN 0.557 nan 8.240 nan 0.000 0.435 771 M N -0.026 119.522 119.600 -0.086 0.000 2.149 771 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 771 M C 1.946 178.192 176.300 -0.090 0.000 1.064 771 M CA 1.655 56.910 55.300 -0.075 0.000 1.102 771 M CB 0.030 32.593 32.600 -0.060 0.000 1.369 771 M HN 0.029 nan 8.290 nan 0.000 0.408 772 K N -1.243 119.056 120.400 -0.169 0.000 2.168 772 K HA 0.049 4.369 4.320 -0.000 0.000 0.201 772 K C 1.910 178.269 176.600 -0.401 0.000 1.049 772 K CA 1.336 57.435 56.287 -0.314 0.000 0.974 772 K CB -0.576 31.645 32.500 -0.464 0.000 0.792 772 K HN 0.282 nan 8.250 nan 0.000 0.463 773 T N 2.216 116.585 114.554 -0.309 0.000 2.721 773 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 773 T C 1.861 176.486 174.700 -0.124 0.000 1.038 773 T CA 1.618 63.577 62.100 -0.236 0.000 1.145 773 T CB -0.041 68.729 68.868 -0.163 0.000 0.858 773 T HN 0.330 nan 8.240 nan 0.000 0.459 774 Q N 0.279 120.023 119.800 -0.094 0.000 2.030 774 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 774 Q C 2.417 178.426 176.000 0.014 0.000 0.986 774 Q CA 2.043 57.819 55.803 -0.044 0.000 0.843 774 Q CB -0.080 28.631 28.738 -0.045 0.000 0.904 774 Q HN 0.583 nan 8.270 nan 0.000 0.420 775 S N 0.121 115.862 115.700 0.068 0.000 2.377 775 S HA -0.042 4.428 4.470 -0.000 0.000 0.223 775 S C 1.646 176.395 174.600 0.249 0.000 1.030 775 S CA 0.688 58.973 58.200 0.141 0.000 0.970 775 S CB -0.372 62.939 63.200 0.184 0.000 0.830 775 S HN 0.304 nan 8.310 nan 0.000 0.473 776 F N 2.124 122.044 119.950 -0.049 0.000 2.216 776 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 776 F C 2.421 178.178 175.800 -0.071 0.000 1.085 776 F CA -0.646 57.320 58.000 -0.057 0.000 1.326 776 F CB -1.508 37.457 39.000 -0.058 0.000 1.027 776 F HN 0.010 nan 8.300 nan 0.000 0.497 777 V N 0.344 120.344 119.914 0.142 0.000 2.255 777 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 777 V C 2.694 178.786 176.094 -0.003 0.000 1.051 777 V CA 1.948 64.267 62.300 0.033 0.000 1.018 777 V CB -1.408 30.411 31.823 -0.007 0.000 0.641 777 V HN 0.345 nan 8.190 nan 0.000 0.445 778 A N -0.802 122.022 122.820 0.006 0.000 1.978 778 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 778 A C 2.360 179.924 177.584 -0.033 0.000 1.170 778 A CA 2.212 54.239 52.037 -0.017 0.000 0.636 778 A CB -0.488 18.509 19.000 -0.005 0.000 0.810 778 A HN 0.516 nan 8.150 nan 0.000 0.448 779 K N -1.021 119.365 120.400 -0.022 0.000 2.001 779 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 779 K C 2.137 178.688 176.600 -0.081 0.000 1.048 779 K CA 1.471 57.723 56.287 -0.058 0.000 0.932 779 K CB -0.277 32.169 32.500 -0.090 0.000 0.715 779 K HN 0.448 nan 8.250 nan 0.000 0.437 780 M N 1.265 120.816 119.600 -0.081 0.000 2.202 780 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 780 M C 1.620 177.834 176.300 -0.143 0.000 1.063 780 M CA 1.500 56.736 55.300 -0.106 0.000 1.097 780 M CB -0.326 32.215 32.600 -0.099 0.000 1.382 780 M HN 0.215 nan 8.290 nan 0.000 0.413 781 L N -0.809 120.325 121.223 -0.148 0.000 2.375 781 L HA 0.108 4.448 4.340 -0.000 0.000 0.215 781 L C 1.313 178.064 176.870 -0.199 0.000 1.108 781 L CA 0.710 55.411 54.840 -0.231 0.000 0.830 781 L CB -0.410 41.534 42.059 -0.191 0.000 0.959 781 L HN 0.604 nan 8.230 nan 0.000 0.457 782 G N 1.114 109.842 108.800 -0.121 0.000 2.149 782 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.235 782 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.235 782 G C 0.027 174.891 174.900 -0.060 0.000 1.018 782 G CA 0.274 45.323 45.100 -0.085 0.000 0.728 782 G HN 0.287 nan 8.290 nan 0.000 0.508 783 V N -3.250 116.631 119.914 -0.054 0.000 2.960 783 V HA 0.968 5.088 4.120 -0.000 0.000 0.315 783 V C -1.917 174.163 176.094 -0.023 0.000 1.087 783 V CA -2.438 59.844 62.300 -0.030 0.000 0.982 783 V CB 1.891 33.702 31.823 -0.021 0.000 1.039 783 V HN 0.136 nan 8.190 nan 0.000 0.437 784 P HA 0.137 nan 4.420 nan 0.000 0.265 784 P C 0.703 177.996 177.300 -0.012 0.000 1.187 784 P CA 0.512 63.605 63.100 -0.012 0.000 0.766 784 P CB 0.991 32.686 31.700 -0.008 0.000 0.820 785 A N 3.189 126.003 122.820 -0.010 0.000 2.178 785 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 785 A C 1.521 179.097 177.584 -0.012 0.000 1.157 785 A CA 1.452 53.483 52.037 -0.010 0.000 0.689 785 A CB -1.067 17.928 19.000 -0.008 0.000 0.787 785 A HN 0.708 nan 8.150 nan 0.000 0.465 786 N N -1.074 117.620 118.700 -0.010 0.000 2.336 786 N HA -0.024 4.716 4.740 -0.000 0.000 0.189 786 N C 1.071 176.576 175.510 -0.009 0.000 1.113 786 N CA 0.185 53.230 53.050 -0.009 0.000 0.858 786 N CB -0.172 38.312 38.487 -0.005 0.000 0.970 786 N HN 0.368 nan 8.380 nan 0.000 0.471 787 R N -0.401 120.093 120.500 -0.010 0.000 2.254 787 R HA 0.228 4.568 4.340 -0.000 0.000 0.195 787 R C -0.228 176.062 176.300 -0.017 0.000 0.957 787 R CA -0.124 55.970 56.100 -0.009 0.000 1.024 787 R CB 0.110 30.408 30.300 -0.003 0.000 0.952 787 R HN 0.195 nan 8.270 nan 0.000 0.484 788 I N 0.880 121.436 120.570 -0.023 0.000 2.385 788 I HA 0.187 4.357 4.170 -0.000 0.000 0.294 788 I C -0.038 176.050 176.117 -0.049 0.000 0.988 788 I CA -1.590 59.687 61.300 -0.037 0.000 1.265 788 I CB 1.789 39.767 38.000 -0.037 0.000 1.388 788 I HN -0.345 nan 8.210 nan 0.000 0.480 789 V N 6.841 126.711 119.914 -0.074 0.000 2.531 789 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 789 V C -0.503 175.508 176.094 -0.138 0.000 1.034 789 V CA -0.708 61.539 62.300 -0.090 0.000 0.865 789 V CB 2.360 34.132 31.823 -0.087 0.000 0.995 789 V HN 0.410 nan 8.190 nan 0.000 0.424 790 V N 7.037 126.877 119.914 -0.123 0.000 2.495 790 V HA 0.728 4.848 4.120 -0.000 0.000 0.298 790 V C -0.259 175.757 176.094 -0.130 0.000 1.031 790 V CA -0.612 61.598 62.300 -0.149 0.000 0.871 790 V CB 2.011 33.767 31.823 -0.111 0.000 0.988 790 V HN 0.969 nan 8.190 nan 0.000 0.432 791 R N 3.561 123.970 120.500 -0.151 0.000 2.668 791 R HA 0.868 5.208 4.340 -0.000 0.000 0.272 791 R C -2.165 174.148 176.300 0.023 0.000 1.019 791 R CA -0.814 55.255 56.100 -0.053 0.000 0.894 791 R CB 2.102 32.391 30.300 -0.019 0.000 1.228 791 R HN 0.313 nan 8.270 nan 0.000 0.460 792 V N 1.983 121.916 119.914 0.032 0.000 2.525 792 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 792 V C 0.483 176.602 176.094 0.043 0.000 1.034 792 V CA -0.784 61.537 62.300 0.035 0.000 0.863 792 V CB 1.670 33.491 31.823 -0.003 0.000 0.999 792 V HN 0.945 nan 8.190 nan 0.000 0.423 793 K N 3.584 124.008 120.400 0.040 0.000 2.240 793 K HA 0.314 4.634 4.320 -0.000 0.000 0.202 793 K C 0.571 177.180 176.600 0.015 0.000 1.053 793 K CA 0.344 56.645 56.287 0.023 0.000 0.973 793 K CB 0.613 33.109 32.500 -0.007 0.000 0.924 793 K HN 0.823 nan 8.250 nan 0.000 0.477 794 R N -0.436 120.046 120.500 -0.030 0.000 2.710 794 R HA 0.417 4.757 4.340 -0.000 0.000 0.270 794 R C -1.264 175.032 176.300 -0.007 0.000 1.021 794 R CA -0.850 55.230 56.100 -0.033 0.000 0.889 794 R CB 1.175 31.406 30.300 -0.114 0.000 1.243 794 R HN -0.106 nan 8.270 nan 0.000 0.464 795 M N 0.389 120.003 119.600 0.024 0.000 2.664 795 M HA 0.435 4.915 4.480 -0.000 0.000 0.314 795 M C 0.739 177.109 176.300 0.116 0.000 1.200 795 M CA -0.851 54.473 55.300 0.041 0.000 0.916 795 M CB 2.379 34.942 32.600 -0.062 0.000 1.717 795 M HN 0.969 nan 8.290 nan 0.000 0.470 796 G N 0.579 109.373 108.800 -0.010 0.000 3.424 796 G HA2 0.495 4.455 3.960 -0.000 0.000 0.263 796 G HA3 0.495 4.455 3.960 -0.000 0.000 0.263 796 G C 0.363 175.243 174.900 -0.033 0.000 1.310 796 G CA 0.314 45.349 45.100 -0.107 0.000 1.089 796 G HN 1.098 nan 8.290 nan 0.000 0.534 797 G N -2.150 106.654 108.800 0.006 0.000 2.570 797 G HA2 0.425 4.385 3.960 -0.000 0.000 0.686 797 G HA3 0.425 4.385 3.960 -0.000 0.000 0.686 797 G C 0.407 175.395 174.900 0.147 0.000 1.257 797 G CA -0.225 44.931 45.100 0.093 0.000 0.846 797 G HN 1.158 nan 8.290 nan 0.000 0.627 798 G N -1.394 107.527 108.800 0.201 0.000 2.445 798 G HA2 0.509 4.469 3.960 -0.000 0.000 0.204 798 G HA3 0.509 4.469 3.960 -0.000 0.000 0.204 798 G C 0.689 175.835 174.900 0.410 0.000 1.542 798 G CA 0.899 46.138 45.100 0.231 0.000 0.584 798 G HN 1.785 nan 8.290 nan 0.000 1.127 799 F N 1.454 121.363 119.950 -0.068 0.000 3.019 799 F HA -0.133 4.394 4.527 -0.000 0.000 0.259 799 F C 2.020 177.731 175.800 -0.149 0.000 0.976 799 F CA 1.095 59.019 58.000 -0.127 0.000 0.876 799 F CB -1.705 37.151 39.000 -0.240 0.000 0.784 799 F HN 1.127 nan 8.300 nan 0.000 0.786 800 G N -0.966 107.843 108.800 0.015 0.000 2.507 800 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.240 800 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.240 800 G C 1.460 176.320 174.900 -0.066 0.000 1.119 800 G CA 0.456 45.533 45.100 -0.040 0.000 0.664 800 G HN 1.362 nan 8.290 nan 0.000 0.516 801 G N 0.755 109.405 108.800 -0.250 0.000 2.537 801 G HA2 0.077 4.037 3.960 -0.000 0.000 0.220 801 G HA3 0.077 4.037 3.960 -0.000 0.000 0.220 801 G C 1.146 175.930 174.900 -0.192 0.000 1.111 801 G CA 1.615 46.270 45.100 -0.741 0.000 0.748 801 G HN 0.870 nan 8.290 nan 0.000 0.564 802 K N 0.012 120.357 120.400 -0.091 0.000 2.676 802 K HA 0.308 4.628 4.320 -0.000 0.000 0.205 802 K C 1.050 177.625 176.600 -0.040 0.000 1.084 802 K CA -0.051 56.225 56.287 -0.019 0.000 1.057 802 K CB 0.666 33.111 32.500 -0.092 0.000 0.791 802 K HN 0.295 nan 8.250 nan 0.000 0.484 803 E N 1.695 121.867 120.200 -0.046 0.000 2.265 803 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 803 E C 0.841 177.410 176.600 -0.051 0.000 0.996 803 E CA 1.962 58.339 56.400 -0.040 0.000 0.832 803 E CB 0.288 29.966 29.700 -0.037 0.000 0.756 803 E HN 0.433 nan 8.360 nan 0.000 0.491 804 T N -3.494 111.030 114.554 -0.050 0.000 3.304 804 T HA 0.213 4.563 4.350 -0.000 0.000 0.269 804 T C 1.641 176.289 174.700 -0.087 0.000 0.895 804 T CA -0.578 61.476 62.100 -0.076 0.000 0.948 804 T CB -0.143 68.721 68.868 -0.006 0.000 1.242 804 T HN -0.095 nan 8.240 nan 0.000 0.522 805 R N 2.581 123.046 120.500 -0.058 0.000 2.093 805 R HA 0.146 4.486 4.340 -0.000 0.000 0.224 805 R C 2.883 179.049 176.300 -0.225 0.000 1.101 805 R CA 1.463 57.496 56.100 -0.112 0.000 0.979 805 R CB -1.268 28.975 30.300 -0.094 0.000 0.877 805 R HN 0.687 nan 8.270 nan 0.000 0.441 806 S N 0.970 116.585 115.700 -0.143 0.000 2.426 806 S HA -0.314 4.156 4.470 -0.000 0.000 0.253 806 S C 2.156 176.680 174.600 -0.126 0.000 1.104 806 S CA 2.792 60.943 58.200 -0.081 0.000 1.158 806 S CB -1.311 61.898 63.200 0.014 0.000 1.043 806 S HN 0.559 nan 8.310 nan 0.000 0.443 807 T N 1.137 115.604 114.554 -0.145 0.000 2.802 807 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 807 T C 1.865 176.514 174.700 -0.085 0.000 1.062 807 T CA 2.035 64.053 62.100 -0.136 0.000 1.133 807 T CB -1.380 67.375 68.868 -0.189 0.000 0.852 807 T HN 1.026 nan 8.240 nan 0.000 0.485 808 V N -0.711 119.140 119.914 -0.106 0.000 2.626 808 V HA 0.049 4.169 4.120 -0.000 0.000 0.252 808 V C 2.546 178.582 176.094 -0.097 0.000 1.067 808 V CA 1.124 63.370 62.300 -0.089 0.000 1.081 808 V CB -1.090 30.686 31.823 -0.080 0.000 0.686 808 V HN 0.412 nan 8.190 nan 0.000 0.468 809 V N 0.938 120.785 119.914 -0.112 0.000 2.379 809 V HA -0.126 3.994 4.120 -0.000 0.000 0.243 809 V C 2.829 178.891 176.094 -0.052 0.000 1.035 809 V CA 2.044 64.301 62.300 -0.072 0.000 1.035 809 V CB -0.323 31.461 31.823 -0.065 0.000 0.673 809 V HN 0.604 nan 8.190 nan 0.000 0.457 810 S N -0.218 115.449 115.700 -0.056 0.000 2.369 810 S HA -0.341 4.129 4.470 -0.000 0.000 0.225 810 S C 2.103 176.676 174.600 -0.044 0.000 1.043 810 S CA 2.363 60.538 58.200 -0.042 0.000 1.074 810 S CB -0.807 62.359 63.200 -0.057 0.000 0.962 810 S HN 0.663 nan 8.310 nan 0.000 0.433 811 T N 2.005 116.523 114.554 -0.060 0.000 2.565 811 T HA -0.295 4.055 4.350 -0.000 0.000 0.265 811 T C 1.917 176.551 174.700 -0.111 0.000 1.082 811 T CA 2.304 64.356 62.100 -0.080 0.000 1.173 811 T CB -0.785 68.030 68.868 -0.088 0.000 0.864 811 T HN 0.469 nan 8.240 nan 0.000 0.425 812 A N 0.411 123.147 122.820 -0.140 0.000 1.892 812 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 812 A C 2.646 180.239 177.584 0.014 0.000 1.188 812 A CA 2.402 54.386 52.037 -0.089 0.000 0.631 812 A CB -1.173 17.808 19.000 -0.033 0.000 0.822 812 A HN 0.507 nan 8.150 nan 0.000 0.447 813 V N 0.010 119.931 119.914 0.013 0.000 2.287 813 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 813 V C 3.030 179.143 176.094 0.033 0.000 1.053 813 V CA 2.013 64.332 62.300 0.031 0.000 1.027 813 V CB -1.664 30.177 31.823 0.029 0.000 0.646 813 V HN 0.659 nan 8.190 nan 0.000 0.447 814 A N 0.205 123.033 122.820 0.013 0.000 1.881 814 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 814 A C 2.234 179.849 177.584 0.052 0.000 1.215 814 A CA 2.630 54.678 52.037 0.018 0.000 0.648 814 A CB -0.834 18.158 19.000 -0.013 0.000 0.832 814 A HN 0.460 nan 8.150 nan 0.000 0.455 815 L N -0.484 120.765 121.223 0.043 0.000 2.012 815 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 815 L C 2.822 179.783 176.870 0.150 0.000 1.073 815 L CA 2.350 57.245 54.840 0.092 0.000 0.748 815 L CB -0.806 41.302 42.059 0.083 0.000 0.891 815 L HN 0.413 nan 8.230 nan 0.000 0.431 816 A N -0.649 122.230 122.820 0.099 0.000 1.917 816 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 816 A C 2.462 180.083 177.584 0.062 0.000 1.182 816 A CA 2.140 54.217 52.037 0.066 0.000 0.633 816 A CB -1.235 17.790 19.000 0.042 0.000 0.819 816 A HN 0.588 nan 8.150 nan 0.000 0.448 817 A N -1.309 121.554 122.820 0.072 0.000 1.883 817 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 817 A C 2.158 179.786 177.584 0.073 0.000 1.186 817 A CA 1.830 53.902 52.037 0.059 0.000 0.624 817 A CB -0.930 18.107 19.000 0.062 0.000 0.822 817 A HN 0.849 nan 8.150 nan 0.000 0.444 818 Y N 0.588 120.881 120.300 -0.012 0.000 2.128 818 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 818 Y C 2.314 178.206 175.900 -0.013 0.000 1.154 818 Y CA 2.507 60.599 58.100 -0.013 0.000 1.149 818 Y CB -0.401 38.053 38.460 -0.009 0.000 0.976 818 Y HN 0.264 nan 8.280 nan 0.000 0.505 819 K N -0.280 120.123 120.400 0.006 0.000 1.973 819 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 819 K C 2.126 178.644 176.600 -0.137 0.000 1.045 819 K CA 2.421 58.642 56.287 -0.110 0.000 0.937 819 K CB -0.684 31.846 32.500 0.049 0.000 0.721 819 K HN 0.502 nan 8.250 nan 0.000 0.438 820 T N -3.257 111.253 114.554 -0.073 0.000 3.088 820 T HA 0.170 4.520 4.350 -0.000 0.000 0.259 820 T C 1.334 175.986 174.700 -0.079 0.000 1.122 820 T CA 0.537 62.594 62.100 -0.071 0.000 1.095 820 T CB 0.028 68.867 68.868 -0.048 0.000 0.930 820 T HN 0.400 nan 8.240 nan 0.000 0.508 821 G N 2.253 111.001 108.800 -0.086 0.000 2.143 821 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.249 821 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.249 821 G C 0.034 174.894 174.900 -0.067 0.000 0.981 821 G CA 0.098 45.146 45.100 -0.087 0.000 0.665 821 G HN 1.009 nan 8.290 nan 0.000 0.528 822 R N -1.389 119.079 120.500 -0.053 0.000 2.734 822 R HA 0.716 5.056 4.340 -0.000 0.000 0.271 822 R C -3.194 173.084 176.300 -0.037 0.000 1.021 822 R CA -1.976 54.087 56.100 -0.061 0.000 0.893 822 R CB 1.035 31.301 30.300 -0.057 0.000 1.244 822 R HN 0.033 nan 8.270 nan 0.000 0.464 823 P HA 0.055 nan 4.420 nan 0.000 0.268 823 P C -0.703 176.627 177.300 0.049 0.000 1.205 823 P CA -0.222 62.883 63.100 0.009 0.000 0.771 823 P CB 0.891 32.597 31.700 0.011 0.000 0.858 824 V N 4.136 124.090 119.914 0.068 0.000 2.686 824 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 824 V C 0.376 176.516 176.094 0.077 0.000 1.065 824 V CA -0.706 61.631 62.300 0.062 0.000 0.894 824 V CB 2.151 34.000 31.823 0.044 0.000 1.004 824 V HN 0.659 nan 8.190 nan 0.000 0.424 825 R N 2.921 123.464 120.500 0.073 0.000 2.892 825 R HA 0.961 5.301 4.340 -0.000 0.000 0.265 825 R C -1.102 175.232 176.300 0.057 0.000 1.025 825 R CA -0.483 55.661 56.100 0.075 0.000 0.982 825 R CB 1.999 32.347 30.300 0.079 0.000 1.185 825 R HN 0.790 nan 8.270 nan 0.000 0.484 826 C N 2.970 122.302 119.300 0.053 0.000 3.239 826 C HA 0.757 5.217 4.460 -0.000 0.000 0.329 826 C C -1.437 173.578 174.990 0.042 0.000 1.252 826 C CA -0.665 58.380 59.018 0.045 0.000 1.323 826 C CB 1.774 29.540 27.740 0.043 0.000 1.663 826 C HN 1.058 nan 8.230 nan 0.000 0.487 827 M N 5.115 124.738 119.600 0.038 0.000 2.365 827 M HA 0.512 4.992 4.480 -0.000 0.000 0.287 827 M C -1.890 174.429 176.300 0.031 0.000 1.154 827 M CA -0.548 54.772 55.300 0.033 0.000 0.941 827 M CB 1.743 34.361 32.600 0.030 0.000 1.704 827 M HN 0.805 nan 8.290 nan 0.000 0.479 828 L N 3.020 124.261 121.223 0.031 0.000 2.436 828 L HA 0.319 4.659 4.340 -0.000 0.000 0.265 828 L C 0.178 177.064 176.870 0.025 0.000 1.168 828 L CA -0.584 54.275 54.840 0.030 0.000 0.815 828 L CB 0.358 42.443 42.059 0.043 0.000 1.109 828 L HN 0.636 nan 8.230 nan 0.000 0.462 829 D N 0.453 120.864 120.400 0.019 0.000 2.358 829 D HA 0.051 4.691 4.640 -0.000 0.000 0.244 829 D C 0.871 177.188 176.300 0.027 0.000 1.163 829 D CA -0.236 53.778 54.000 0.022 0.000 0.945 829 D CB 1.124 41.912 40.800 -0.020 0.000 1.152 829 D HN 0.391 nan 8.370 nan 0.000 0.451 830 R N 1.090 121.624 120.500 0.056 0.000 2.066 830 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 830 R C 1.575 177.889 176.300 0.024 0.000 1.131 830 R CA 2.153 58.264 56.100 0.019 0.000 0.955 830 R CB -0.293 30.020 30.300 0.021 0.000 0.851 830 R HN 0.628 nan 8.270 nan 0.000 0.432 831 D N -0.109 120.339 120.400 0.081 0.000 2.191 831 D HA -0.273 4.367 4.640 -0.000 0.000 0.190 831 D C 1.333 177.645 176.300 0.020 0.000 1.007 831 D CA 2.225 56.263 54.000 0.064 0.000 0.865 831 D CB -0.123 40.717 40.800 0.066 0.000 0.929 831 D HN 0.566 nan 8.370 nan 0.000 0.447 832 E N -0.251 119.950 120.200 0.001 0.000 2.072 832 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 832 E C 1.752 178.366 176.600 0.024 0.000 0.985 832 E CA 1.299 57.706 56.400 0.012 0.000 0.801 832 E CB -0.184 29.523 29.700 0.012 0.000 0.750 832 E HN 0.552 nan 8.360 nan 0.000 0.452 833 D N 0.571 120.987 120.400 0.027 0.000 2.084 833 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 833 D C 1.930 178.253 176.300 0.037 0.000 0.985 833 D CA 1.091 55.124 54.000 0.055 0.000 0.826 833 D CB 0.058 40.906 40.800 0.081 0.000 0.978 833 D HN 0.010 nan 8.370 nan 0.000 0.456 834 M N -0.332 119.267 119.600 -0.002 0.000 2.460 834 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 834 M C 1.404 177.708 176.300 0.007 0.000 1.071 834 M CA 0.250 55.535 55.300 -0.026 0.000 1.096 834 M CB 0.122 32.682 32.600 -0.067 0.000 1.408 834 M HN 0.242 nan 8.290 nan 0.000 0.463 835 L N 0.641 121.878 121.223 0.024 0.000 2.042 835 L HA -0.007 4.333 4.340 -0.000 0.000 0.204 835 L C 1.989 178.889 176.870 0.049 0.000 1.130 835 L CA 1.545 56.408 54.840 0.038 0.000 0.779 835 L CB -0.845 41.238 42.059 0.041 0.000 0.918 835 L HN 0.138 nan 8.230 nan 0.000 0.450 836 I N 0.038 120.634 120.570 0.042 0.000 2.121 836 I HA -0.421 3.749 4.170 -0.000 0.000 0.243 836 I C 2.438 178.564 176.117 0.015 0.000 1.047 836 I CA 2.446 63.766 61.300 0.033 0.000 1.308 836 I CB -1.212 36.799 38.000 0.019 0.000 1.015 836 I HN 0.630 nan 8.210 nan 0.000 0.410 837 T N -0.942 113.620 114.554 0.014 0.000 3.014 837 T HA 0.239 4.589 4.350 -0.000 0.000 0.263 837 T C 1.127 175.861 174.700 0.058 0.000 1.078 837 T CA 0.770 62.872 62.100 0.003 0.000 1.135 837 T CB -0.272 68.601 68.868 0.009 0.000 0.895 837 T HN 0.694 nan 8.240 nan 0.000 0.480 838 G N -0.116 108.733 108.800 0.083 0.000 2.915 838 G HA2 0.240 4.200 3.960 -0.000 0.000 0.337 838 G HA3 0.240 4.200 3.960 -0.000 0.000 0.337 838 G C 0.131 175.143 174.900 0.187 0.000 1.477 838 G CA -0.471 44.697 45.100 0.113 0.000 0.916 838 G HN 1.041 nan 8.290 nan 0.000 0.550 839 G N -1.032 107.875 108.800 0.178 0.000 2.938 839 G HA2 0.714 4.674 3.960 -0.000 0.000 0.258 839 G HA3 0.714 4.674 3.960 -0.000 0.000 0.258 839 G C 0.258 175.307 174.900 0.248 0.000 1.356 839 G CA -0.003 45.228 45.100 0.218 0.000 1.052 839 G HN 0.883 nan 8.290 nan 0.000 0.550 840 R N -0.433 120.193 120.500 0.211 0.000 2.590 840 R HA 0.104 4.444 4.340 -0.000 0.000 0.274 840 R C -0.508 175.900 176.300 0.179 0.000 1.061 840 R CA -0.366 55.846 56.100 0.186 0.000 1.081 840 R CB 0.005 30.228 30.300 -0.129 0.000 0.984 840 R HN 0.576 nan 8.270 nan 0.000 0.448 841 H N 4.436 123.534 119.070 0.047 0.000 3.004 841 H HA 0.114 4.670 4.556 -0.000 0.000 0.316 841 H C -1.949 173.382 175.328 0.004 0.000 1.014 841 H CA -1.082 54.958 56.048 -0.013 0.000 1.454 841 H CB 0.331 30.039 29.762 -0.090 0.000 1.472 841 H HN 0.471 nan 8.280 nan 0.000 0.571 842 P HA 0.335 nan 4.420 nan 0.000 0.285 842 P C -0.971 176.422 177.300 0.156 0.000 1.269 842 P CA -0.540 62.623 63.100 0.105 0.000 0.844 842 P CB 1.211 32.958 31.700 0.078 0.000 1.094 843 F N 0.068 120.115 119.950 0.162 0.000 2.588 843 F HA 0.497 5.024 4.527 -0.000 0.000 0.310 843 F C -0.711 175.316 175.800 0.380 0.000 1.082 843 F CA -0.919 57.238 58.000 0.261 0.000 0.929 843 F CB 1.997 41.115 39.000 0.198 0.000 1.254 843 F HN 0.057 nan 8.300 nan 0.000 0.455 844 L N 3.105 124.684 121.223 0.592 0.000 2.349 844 L HA 0.888 5.228 4.340 -0.000 0.000 0.278 844 L C -1.136 176.041 176.870 0.512 0.000 0.996 844 L CA -0.674 54.436 54.840 0.451 0.000 0.825 844 L CB 1.048 43.190 42.059 0.138 0.000 1.243 844 L HN 0.627 nan 8.230 nan 0.000 0.412 845 A N 5.728 128.800 122.820 0.419 0.000 2.393 845 A HA 0.871 5.191 4.320 -0.000 0.000 0.306 845 A C -0.904 176.892 177.584 0.353 0.000 1.050 845 A CA -0.790 51.479 52.037 0.386 0.000 0.724 845 A CB 1.338 20.502 19.000 0.274 0.000 1.248 845 A HN 0.645 nan 8.150 nan 0.000 0.424 846 R N 1.560 122.266 120.500 0.342 0.000 2.393 846 R HA 0.560 4.900 4.340 -0.000 0.000 0.310 846 R C -1.373 175.132 176.300 0.342 0.000 0.968 846 R CA -0.343 55.941 56.100 0.307 0.000 0.867 846 R CB 1.221 31.650 30.300 0.215 0.000 1.124 846 R HN 0.826 nan 8.270 nan 0.000 0.450 847 Y N -0.992 119.365 120.300 0.095 0.000 2.536 847 Y HA 0.632 5.182 4.550 0.000 0.000 0.347 847 Y C -0.743 175.167 175.900 0.018 0.000 1.000 847 Y CA -1.328 56.816 58.100 0.073 0.000 1.051 847 Y CB 2.167 40.717 38.460 0.150 0.000 1.259 847 Y HN 0.312 nan 8.280 nan 0.000 0.468 848 K N 2.489 122.907 120.400 0.031 0.000 2.397 848 K HA 0.699 5.019 4.320 -0.000 0.000 0.253 848 K C -2.298 174.353 176.600 0.085 0.000 0.932 848 K CA -1.001 55.254 56.287 -0.055 0.000 0.795 848 K CB 2.577 34.996 32.500 -0.135 0.000 1.159 848 K HN 0.758 nan 8.250 nan 0.000 0.424 849 V N 3.202 123.153 119.914 0.062 0.000 2.567 849 V HA 0.604 4.724 4.120 -0.000 0.000 0.298 849 V C -0.751 175.466 176.094 0.205 0.000 1.047 849 V CA -0.296 61.987 62.300 -0.029 0.000 0.880 849 V CB 1.511 33.006 31.823 -0.547 0.000 1.009 849 V HN 0.867 nan 8.190 nan 0.000 0.429 850 G N 6.400 115.311 108.800 0.185 0.000 2.332 850 G HA2 0.743 4.703 3.960 -0.000 0.000 0.310 850 G HA3 0.743 4.703 3.960 -0.000 0.000 0.310 850 G C -1.074 173.907 174.900 0.135 0.000 1.123 850 G CA -0.494 44.700 45.100 0.157 0.000 0.873 850 G HN 1.211 nan 8.290 nan 0.000 0.460 851 F N 0.777 120.656 119.950 -0.118 0.000 2.641 851 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 851 F C -0.625 175.127 175.800 -0.080 0.000 1.105 851 F CA -1.885 56.043 58.000 -0.120 0.000 0.964 851 F CB 1.314 40.237 39.000 -0.128 0.000 1.294 851 F HN 0.232 nan 8.300 nan 0.000 0.442 852 M N 2.382 121.937 119.600 -0.075 0.000 2.163 852 M HA 0.260 4.740 4.480 -0.000 0.000 0.305 852 M C 1.089 177.355 176.300 -0.056 0.000 1.166 852 M CA -0.493 54.741 55.300 -0.110 0.000 1.132 852 M CB 0.997 33.566 32.600 -0.050 0.000 1.413 852 M HN 0.869 nan 8.290 nan 0.000 0.478 853 K N -1.105 119.257 120.400 -0.063 0.000 2.444 853 K HA 0.076 4.396 4.320 -0.000 0.000 0.193 853 K C 1.018 177.635 176.600 0.029 0.000 1.024 853 K CA 0.752 57.030 56.287 -0.014 0.000 1.077 853 K CB -0.575 31.900 32.500 -0.041 0.000 0.833 853 K HN 0.685 nan 8.250 nan 0.000 0.517 854 T N -0.594 113.973 114.554 0.022 0.000 2.915 854 T HA 0.034 4.384 4.350 -0.000 0.000 0.269 854 T C 1.671 176.400 174.700 0.049 0.000 1.071 854 T CA 0.998 63.114 62.100 0.027 0.000 1.132 854 T CB -0.225 68.649 68.868 0.009 0.000 0.878 854 T HN 0.525 nan 8.240 nan 0.000 0.479 855 G N 0.776 109.630 108.800 0.090 0.000 2.184 855 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.206 855 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.206 855 G C 0.214 175.157 174.900 0.072 0.000 0.995 855 G CA -0.112 45.054 45.100 0.110 0.000 0.651 855 G HN 0.598 nan 8.290 nan 0.000 0.511 856 T N 1.472 116.052 114.554 0.044 0.000 2.853 856 T HA 0.437 4.787 4.350 -0.000 0.000 0.298 856 T C 0.561 175.279 174.700 0.030 0.000 0.978 856 T CA 0.586 62.690 62.100 0.007 0.000 1.152 856 T CB 2.156 71.015 68.868 -0.016 0.000 0.914 856 T HN 1.159 nan 8.240 nan 0.000 0.539 857 V N 4.544 124.454 119.914 -0.007 0.000 2.644 857 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 857 V C 0.303 176.359 176.094 -0.064 0.000 1.053 857 V CA 0.020 62.310 62.300 -0.016 0.000 0.987 857 V CB 1.553 33.319 31.823 -0.094 0.000 1.006 857 V HN 0.740 nan 8.190 nan 0.000 0.472 858 V N 4.795 124.647 119.914 -0.103 0.000 3.251 858 V HA 0.670 4.790 4.120 -0.000 0.000 0.239 858 V C 0.532 176.473 176.094 -0.255 0.000 1.332 858 V CA 0.759 62.965 62.300 -0.156 0.000 1.224 858 V CB 0.872 32.607 31.823 -0.146 0.000 1.004 858 V HN 1.186 nan 8.190 nan 0.000 0.464 859 A N 0.572 123.167 122.820 -0.376 0.000 2.547 859 A HA 0.809 5.129 4.320 -0.000 0.000 0.297 859 A C -2.036 175.299 177.584 -0.415 0.000 1.056 859 A CA -0.325 51.385 52.037 -0.545 0.000 0.688 859 A CB 2.110 20.477 19.000 -1.056 0.000 1.282 859 A HN 0.332 nan 8.150 nan 0.000 0.400 860 L N 0.513 121.644 121.223 -0.155 0.000 2.445 860 L HA 0.836 5.176 4.340 -0.000 0.000 0.262 860 L C -0.856 176.116 176.870 0.169 0.000 0.974 860 L CA -0.043 54.809 54.840 0.020 0.000 0.822 860 L CB 2.052 44.109 42.059 -0.004 0.000 1.339 860 L HN 0.821 nan 8.230 nan 0.000 0.409 861 E N 3.607 123.941 120.200 0.223 0.000 2.263 861 E HA 0.692 5.042 4.350 -0.000 0.000 0.268 861 E C -2.056 174.641 176.600 0.161 0.000 0.884 861 E CA -0.635 55.878 56.400 0.188 0.000 0.766 861 E CB 2.279 32.093 29.700 0.188 0.000 1.196 861 E HN 0.566 nan 8.360 nan 0.000 0.416 862 V N 3.543 123.524 119.914 0.111 0.000 2.686 862 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 862 V C -0.982 175.019 176.094 -0.155 0.000 1.065 862 V CA -0.996 61.320 62.300 0.026 0.000 0.894 862 V CB 2.095 33.909 31.823 -0.014 0.000 1.004 862 V HN 0.647 nan 8.190 nan 0.000 0.424 863 D N 2.770 123.080 120.400 -0.150 0.000 2.381 863 D HA 0.414 5.054 4.640 -0.000 0.000 0.235 863 D C -0.648 175.495 176.300 -0.263 0.000 1.068 863 D CA -0.332 53.532 54.000 -0.227 0.000 0.832 863 D CB 1.191 41.946 40.800 -0.074 0.000 1.101 863 D HN 0.535 nan 8.370 nan 0.000 0.515 864 H N 2.280 121.237 119.070 -0.188 0.000 2.458 864 H HA 0.411 4.967 4.556 -0.000 0.000 0.330 864 H C -0.514 174.666 175.328 -0.247 0.000 1.111 864 H CA -0.380 55.700 56.048 0.054 0.000 1.245 864 H CB 1.085 30.953 29.762 0.177 0.000 1.456 864 H HN 0.249 nan 8.280 nan 0.000 0.488 865 F N -1.051 119.084 119.950 0.309 0.000 2.915 865 F HA 0.134 4.661 4.527 -0.000 0.000 0.350 865 F C 0.600 176.422 175.800 0.037 0.000 1.248 865 F CA -1.396 56.674 58.000 0.117 0.000 1.084 865 F CB 0.143 39.175 39.000 0.055 0.000 1.391 865 F HN 0.397 nan 8.300 nan 0.000 0.548 866 S N 3.023 118.631 115.700 -0.153 0.000 4.285 866 S HA -0.268 4.202 4.470 -0.000 0.000 0.181 866 S C 0.268 174.832 174.600 -0.061 0.000 0.439 866 S CA 0.445 58.434 58.200 -0.353 0.000 1.314 866 S CB -0.806 62.237 63.200 -0.262 0.000 1.972 866 S HN 0.735 nan 8.310 nan 0.000 0.313 867 N N 4.275 122.938 118.700 -0.063 0.000 2.408 867 N HA 0.199 4.939 4.740 -0.000 0.000 0.257 867 N C 0.910 176.331 175.510 -0.149 0.000 1.064 867 N CA -0.255 52.768 53.050 -0.046 0.000 0.952 867 N CB 1.283 39.739 38.487 -0.051 0.000 1.093 867 N HN 0.257 nan 8.380 nan 0.000 0.490 868 V N 3.356 123.218 119.914 -0.087 0.000 2.379 868 V HA 0.193 4.313 4.120 -0.000 0.000 0.243 868 V C 1.517 177.483 176.094 -0.213 0.000 1.035 868 V CA 1.656 63.843 62.300 -0.188 0.000 1.035 868 V CB -1.353 30.382 31.823 -0.146 0.000 0.673 868 V HN 1.008 nan 8.190 nan 0.000 0.457 869 G N 1.015 109.766 108.800 -0.081 0.000 2.508 869 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 869 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 869 G C 0.143 175.072 174.900 0.048 0.000 1.287 869 G CA 0.144 45.218 45.100 -0.042 0.000 0.916 869 G HN 0.655 nan 8.290 nan 0.000 0.574 870 N N 0.373 119.080 118.700 0.012 0.000 2.273 870 N HA 0.376 5.116 4.740 -0.000 0.000 0.231 870 N C 0.254 175.791 175.510 0.045 0.000 1.134 870 N CA 1.195 54.263 53.050 0.030 0.000 0.856 870 N CB 0.782 39.229 38.487 -0.067 0.000 1.068 870 N HN 1.447 nan 8.380 nan 0.000 0.510 871 T N -2.157 112.442 114.554 0.075 0.000 3.047 871 T HA 0.116 4.466 4.350 -0.000 0.000 0.340 871 T C 0.291 174.934 174.700 -0.095 0.000 1.421 871 T CA -0.495 61.645 62.100 0.067 0.000 1.090 871 T CB 1.765 70.638 68.868 0.008 0.000 1.292 871 T HN 0.054 nan 8.240 nan 0.000 0.480 872 Q N 2.105 121.843 119.800 -0.104 0.000 1.993 872 Q HA 0.046 4.385 4.340 -0.000 0.000 0.202 872 Q C 0.727 176.634 176.000 -0.156 0.000 0.984 872 Q CA 2.198 57.792 55.803 -0.349 0.000 0.837 872 Q CB -0.382 28.296 28.738 -0.101 0.000 0.902 872 Q HN 0.974 nan 8.270 nan 0.000 0.423 873 D N -2.238 118.150 120.400 -0.021 0.000 4.111 873 D HA -0.293 4.347 4.640 -0.000 0.000 0.290 873 D C 0.550 176.884 176.300 0.058 0.000 2.255 873 D CA 1.359 55.385 54.000 0.043 0.000 1.109 873 D CB -0.779 40.053 40.800 0.054 0.000 1.034 873 D HN 0.228 nan 8.370 nan 0.000 1.222 874 L N -0.280 121.011 121.223 0.112 0.000 2.468 874 L HA -0.223 4.117 4.340 -0.000 0.000 0.225 874 L C 2.348 179.290 176.870 0.120 0.000 1.139 874 L CA 1.476 56.410 54.840 0.157 0.000 0.792 874 L CB -0.743 41.462 42.059 0.245 0.000 0.916 874 L HN 0.299 nan 8.230 nan 0.000 0.446 875 S N -0.734 115.018 115.700 0.087 0.000 2.420 875 S HA -0.290 4.180 4.470 -0.000 0.000 0.237 875 S C 1.874 176.454 174.600 -0.034 0.000 1.023 875 S CA 1.337 59.582 58.200 0.074 0.000 0.991 875 S CB -0.218 63.094 63.200 0.187 0.000 0.792 875 S HN 0.534 nan 8.310 nan 0.000 0.488 876 Q N 1.094 120.869 119.800 -0.043 0.000 1.990 876 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 876 Q C 2.080 178.005 176.000 -0.125 0.000 0.980 876 Q CA 1.675 57.427 55.803 -0.084 0.000 0.832 876 Q CB -0.216 28.474 28.738 -0.081 0.000 0.897 876 Q HN 0.580 nan 8.270 nan 0.000 0.427 877 S N 0.923 116.557 115.700 -0.110 0.000 2.440 877 S HA -0.120 4.350 4.470 -0.000 0.000 0.238 877 S C 1.879 176.274 174.600 -0.343 0.000 1.010 877 S CA 0.878 58.948 58.200 -0.217 0.000 0.972 877 S CB -0.285 62.792 63.200 -0.206 0.000 0.774 877 S HN 0.357 nan 8.310 nan 0.000 0.501 878 I N 0.600 121.064 120.570 -0.178 0.000 2.202 878 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 878 I C 2.516 178.575 176.117 -0.097 0.000 1.091 878 I CA 1.005 62.235 61.300 -0.116 0.000 1.368 878 I CB -0.357 37.626 38.000 -0.028 0.000 1.058 878 I HN 0.294 nan 8.210 nan 0.000 0.410 879 M N 1.029 120.575 119.600 -0.090 0.000 2.213 879 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 879 M C 2.035 178.256 176.300 -0.132 0.000 1.062 879 M CA 1.727 56.999 55.300 -0.046 0.000 1.105 879 M CB -0.755 31.805 32.600 -0.068 0.000 1.385 879 M HN 0.180 nan 8.290 nan 0.000 0.417 880 E N -1.013 119.068 120.200 -0.198 0.000 2.028 880 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 880 E C 2.125 178.557 176.600 -0.280 0.000 0.988 880 E CA 1.200 57.429 56.400 -0.286 0.000 0.799 880 E CB -0.399 29.148 29.700 -0.254 0.000 0.755 880 E HN 0.492 nan 8.360 nan 0.000 0.447 881 R N 1.087 121.504 120.500 -0.138 0.000 2.159 881 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 881 R C 2.172 178.500 176.300 0.047 0.000 1.131 881 R CA 1.245 57.366 56.100 0.034 0.000 0.982 881 R CB -0.193 30.014 30.300 -0.155 0.000 0.868 881 R HN 0.149 nan 8.270 nan 0.000 0.453 882 A N 0.947 123.713 122.820 -0.090 0.000 1.902 882 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 882 A C 2.102 179.594 177.584 -0.153 0.000 1.181 882 A CA 1.273 53.204 52.037 -0.176 0.000 0.623 882 A CB -0.408 18.439 19.000 -0.256 0.000 0.818 882 A HN 0.349 nan 8.150 nan 0.000 0.443 883 L N -1.957 119.154 121.223 -0.187 0.000 1.988 883 L HA -0.086 4.253 4.340 -0.000 0.000 0.207 883 L C 2.307 179.209 176.870 0.054 0.000 1.071 883 L CA 1.333 56.097 54.840 -0.127 0.000 0.744 883 L CB -0.804 41.154 42.059 -0.169 0.000 0.893 883 L HN 0.416 nan 8.230 nan 0.000 0.433 884 F N -0.632 119.338 119.950 0.033 0.000 2.331 884 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 884 F C 1.710 177.462 175.800 -0.080 0.000 1.041 884 F CA 0.925 58.896 58.000 -0.047 0.000 1.417 884 F CB -0.502 38.292 39.000 -0.344 0.000 1.102 884 F HN 0.287 nan 8.300 nan 0.000 0.558 885 H N -1.330 117.892 119.070 0.252 0.000 2.893 885 H HA 0.134 4.690 4.556 -0.000 0.000 0.270 885 H C 1.907 177.237 175.328 0.003 0.000 1.095 885 H CA 0.058 56.160 56.048 0.091 0.000 1.186 885 H CB 0.001 29.709 29.762 -0.089 0.000 1.562 885 H HN 0.243 nan 8.280 nan 0.000 0.536 886 M N 0.141 119.781 119.600 0.066 0.000 2.435 886 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 886 M C 0.777 177.043 176.300 -0.056 0.000 1.065 886 M CA 1.738 57.034 55.300 -0.006 0.000 1.076 886 M CB -0.061 32.582 32.600 0.072 0.000 1.403 886 M HN 0.103 nan 8.290 nan 0.000 0.454 887 D N -0.535 119.826 120.400 -0.066 0.000 2.289 887 D HA -0.060 4.580 4.640 -0.000 0.000 0.207 887 D C 1.057 177.389 176.300 0.054 0.000 0.966 887 D CA 0.670 54.687 54.000 0.028 0.000 0.868 887 D CB -0.522 40.353 40.800 0.125 0.000 0.943 887 D HN 0.509 nan 8.370 nan 0.000 0.514 888 N N -0.046 118.655 118.700 0.001 0.000 1.758 888 N HA -0.291 4.449 4.740 -0.000 0.000 0.152 888 N C -0.353 175.100 175.510 -0.096 0.000 0.558 888 N CA 2.718 55.739 53.050 -0.048 0.000 1.229 888 N CB -1.327 37.087 38.487 -0.121 0.000 1.337 888 N HN 0.401 nan 8.380 nan 0.000 0.432 889 C N -0.138 118.919 119.300 -0.406 0.000 2.859 889 C HA 0.475 4.935 4.460 -0.000 0.000 0.256 889 C C -0.956 173.955 174.990 -0.131 0.000 1.660 889 C CA -0.634 58.252 59.018 -0.219 0.000 1.755 889 C CB -1.707 25.866 27.740 -0.278 0.000 3.127 889 C HN 0.359 nan 8.230 nan 0.000 0.494 890 Y N 1.605 122.058 120.300 0.255 0.000 2.341 890 Y HA 0.382 4.932 4.550 -0.000 0.000 0.338 890 Y C 0.462 176.078 175.900 -0.475 0.000 0.965 890 Y CA -0.929 57.143 58.100 -0.047 0.000 1.108 890 Y CB 1.050 39.508 38.460 -0.004 0.000 1.180 890 Y HN 0.101 nan 8.280 nan 0.000 0.458 891 K N 4.538 124.571 120.400 -0.612 0.000 2.298 891 K HA 0.528 4.848 4.320 -0.000 0.000 0.280 891 K C -1.070 175.360 176.600 -0.283 0.000 1.032 891 K CA -0.241 55.587 56.287 -0.765 0.000 0.958 891 K CB 1.233 33.297 32.500 -0.726 0.000 0.978 891 K HN 0.932 nan 8.250 nan 0.000 0.472 892 I N 5.118 125.568 120.570 -0.200 0.000 2.580 892 I HA 0.141 4.311 4.170 -0.000 0.000 0.268 892 I C -2.468 173.612 176.117 -0.060 0.000 1.261 892 I CA -1.347 59.904 61.300 -0.082 0.000 1.115 892 I CB 1.976 39.972 38.000 -0.006 0.000 1.387 892 I HN 0.580 nan 8.210 nan 0.000 0.474 893 P HA 0.224 nan 4.420 nan 0.000 0.257 893 P C -1.058 176.215 177.300 -0.044 0.000 1.281 893 P CA 0.330 63.396 63.100 -0.058 0.000 0.826 893 P CB 0.048 31.707 31.700 -0.070 0.000 1.237 894 N N 0.633 119.300 118.700 -0.055 0.000 2.578 894 N HA 0.388 5.128 4.740 -0.000 0.000 0.282 894 N C -1.408 174.079 175.510 -0.039 0.000 1.119 894 N CA -0.333 52.687 53.050 -0.049 0.000 0.948 894 N CB 2.227 40.656 38.487 -0.097 0.000 1.546 894 N HN -0.068 nan 8.380 nan 0.000 0.525 895 I N 1.060 121.646 120.570 0.027 0.000 2.715 895 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 895 I C -1.708 174.471 176.117 0.103 0.000 1.371 895 I CA -0.384 60.955 61.300 0.065 0.000 1.056 895 I CB 2.208 40.248 38.000 0.067 0.000 1.339 895 I HN 0.468 nan 8.210 nan 0.000 0.425 896 R N 5.622 126.192 120.500 0.117 0.000 2.473 896 R HA 0.637 4.977 4.340 -0.000 0.000 0.303 896 R C -1.020 175.351 176.300 0.118 0.000 1.002 896 R CA -0.485 55.687 56.100 0.119 0.000 0.884 896 R CB 1.787 32.152 30.300 0.109 0.000 1.173 896 R HN 0.753 nan 8.270 nan 0.000 0.464 897 G N 2.275 111.156 108.800 0.135 0.000 2.417 897 G HA2 0.406 4.366 3.960 -0.000 0.000 0.320 897 G HA3 0.406 4.366 3.960 -0.000 0.000 0.320 897 G C -0.217 174.760 174.900 0.128 0.000 1.204 897 G CA -0.350 44.838 45.100 0.147 0.000 0.923 897 G HN 0.594 nan 8.290 nan 0.000 0.466 898 T N -0.615 113.987 114.554 0.080 0.000 2.919 898 T HA 0.891 5.241 4.350 -0.000 0.000 0.282 898 T C 0.165 174.893 174.700 0.046 0.000 1.020 898 T CA -0.526 61.593 62.100 0.031 0.000 0.994 898 T CB 2.315 71.141 68.868 -0.071 0.000 1.180 898 T HN 1.340 nan 8.240 nan 0.000 0.566 899 G N 0.200 108.958 108.800 -0.069 0.000 2.732 899 G HA2 0.572 4.532 3.960 -0.000 0.000 0.296 899 G HA3 0.572 4.532 3.960 -0.000 0.000 0.296 899 G C -1.429 173.306 174.900 -0.276 0.000 1.448 899 G CA -0.929 44.077 45.100 -0.156 0.000 0.911 899 G HN 0.636 nan 8.290 nan 0.000 0.528 900 R N 0.288 120.536 120.500 -0.420 0.000 2.720 900 R HA 0.555 4.895 4.340 -0.000 0.000 0.272 900 R C -0.527 175.654 176.300 -0.198 0.000 0.991 900 R CA -0.932 54.931 56.100 -0.395 0.000 1.010 900 R CB 1.796 31.715 30.300 -0.635 0.000 1.141 900 R HN 0.403 nan 8.270 nan 0.000 0.494 901 L N 2.503 123.597 121.223 -0.215 0.000 2.335 901 L HA 0.341 4.681 4.340 -0.000 0.000 0.268 901 L C -0.511 176.465 176.870 0.177 0.000 1.037 901 L CA -0.768 54.068 54.840 -0.006 0.000 0.895 901 L CB 0.963 43.050 42.059 0.046 0.000 1.266 901 L HN 0.521 nan 8.230 nan 0.000 0.439 902 C N 1.930 121.365 119.300 0.225 0.000 2.394 902 C HA 0.243 4.703 4.460 -0.000 0.000 0.362 902 C C 0.781 175.979 174.990 0.345 0.000 1.268 902 C CA -1.216 58.041 59.018 0.398 0.000 1.828 902 C CB -0.002 27.947 27.740 0.348 0.000 2.442 902 C HN 0.637 nan 8.230 nan 0.000 0.549 903 K N 2.632 123.259 120.400 0.378 0.000 2.379 903 K HA 0.407 4.727 4.320 -0.000 0.000 0.284 903 K C 0.486 177.176 176.600 0.151 0.000 1.044 903 K CA 0.510 56.971 56.287 0.291 0.000 0.974 903 K CB 0.475 32.992 32.500 0.028 0.000 0.962 903 K HN 0.984 nan 8.250 nan 0.000 0.474 904 T N 0.143 114.767 114.554 0.116 0.000 2.864 904 T HA 0.262 4.612 4.350 -0.000 0.000 0.299 904 T C -0.424 174.291 174.700 0.026 0.000 1.166 904 T CA -1.179 60.948 62.100 0.045 0.000 1.007 904 T CB 0.906 69.775 68.868 0.001 0.000 1.219 904 T HN 0.520 nan 8.240 nan 0.000 0.506 905 N N 0.740 119.448 118.700 0.014 0.000 3.303 905 N HA 0.483 5.223 4.740 -0.000 0.000 0.304 905 N C -0.867 174.631 175.510 -0.021 0.000 1.302 905 N CA -0.257 52.792 53.050 -0.002 0.000 1.213 905 N CB -0.188 38.322 38.487 0.038 0.000 1.481 905 N HN 0.351 nan 8.380 nan 0.000 0.546 906 L N 0.544 121.746 121.223 -0.035 0.000 2.393 906 L HA 0.593 4.933 4.340 -0.000 0.000 0.260 906 L C -2.279 174.573 176.870 -0.030 0.000 1.002 906 L CA -2.488 52.328 54.840 -0.041 0.000 0.818 906 L CB 2.891 44.884 42.059 -0.111 0.000 1.369 906 L HN 0.084 nan 8.230 nan 0.000 0.412 907 P HA -0.030 nan 4.420 nan 0.000 0.269 907 P C -0.469 176.815 177.300 -0.025 0.000 1.215 907 P CA -0.064 63.034 63.100 -0.002 0.000 0.780 907 P CB 0.967 32.693 31.700 0.044 0.000 0.898 908 S N 2.429 118.109 115.700 -0.034 0.000 2.516 908 S HA 0.071 4.541 4.470 -0.000 0.000 0.282 908 S C 0.364 174.936 174.600 -0.048 0.000 1.286 908 S CA -0.394 57.775 58.200 -0.052 0.000 1.066 908 S CB -0.894 62.285 63.200 -0.036 0.000 0.884 908 S HN 0.282 nan 8.310 nan 0.000 0.491 909 N N 3.010 121.629 118.700 -0.134 0.000 2.467 909 N HA 0.390 5.130 4.740 -0.000 0.000 0.262 909 N C 0.167 175.737 175.510 0.100 0.000 1.234 909 N CA 0.007 52.991 53.050 -0.109 0.000 0.952 909 N CB 1.321 39.534 38.487 -0.457 0.000 1.158 909 N HN 0.614 nan 8.380 nan 0.000 0.463 910 T N -0.741 113.966 114.554 0.254 0.000 2.626 910 T HA 0.658 5.008 4.350 -0.000 0.000 0.279 910 T C -0.950 173.923 174.700 0.289 0.000 0.983 910 T CA -0.540 61.724 62.100 0.273 0.000 1.059 910 T CB 0.790 69.757 68.868 0.165 0.000 1.396 910 T HN 0.508 nan 8.240 nan 0.000 0.519 911 A N 1.013 123.911 122.820 0.131 0.000 2.511 911 A HA 0.573 4.893 4.320 -0.000 0.000 0.242 911 A C -0.853 176.835 177.584 0.174 0.000 1.069 911 A CA 0.276 52.293 52.037 -0.034 0.000 0.763 911 A CB -0.571 18.176 19.000 -0.422 0.000 1.001 911 A HN 0.690 nan 8.150 nan 0.000 0.498 912 F N 2.132 122.067 119.950 -0.025 0.000 2.689 912 F HA 0.415 4.942 4.527 -0.000 0.000 0.332 912 F C 0.505 176.298 175.800 -0.012 0.000 1.209 912 F CA -0.960 57.056 58.000 0.026 0.000 1.028 912 F CB 1.169 40.093 39.000 -0.128 0.000 1.291 912 F HN 0.810 nan 8.300 nan 0.000 0.500 913 R N 4.351 125.077 120.500 0.376 0.000 4.377 913 R HA -0.114 4.226 4.340 -0.000 0.000 0.109 913 R C 0.801 177.253 176.300 0.254 0.000 0.297 913 R CA 1.882 58.165 56.100 0.304 0.000 0.796 913 R CB -0.798 29.743 30.300 0.402 0.000 1.143 913 R HN 1.210 nan 8.270 nan 0.000 0.254 914 G N 3.183 112.125 108.800 0.236 0.000 3.031 914 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.198 914 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.198 914 G C 0.168 175.310 174.900 0.402 0.000 1.242 914 G CA -0.059 45.217 45.100 0.294 0.000 0.878 914 G HN 0.664 nan 8.290 nan 0.000 0.493 915 F N 0.931 120.970 119.950 0.148 0.000 3.018 915 F HA -0.036 4.491 4.527 -0.000 0.000 0.287 915 F C 1.871 177.681 175.800 0.017 0.000 0.813 915 F CA 2.641 60.690 58.000 0.082 0.000 1.209 915 F CB -1.257 37.788 39.000 0.075 0.000 1.321 915 F HN 2.131 nan 8.300 nan 0.000 0.477 916 G N -0.984 107.965 108.800 0.248 0.000 2.175 916 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.244 916 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.244 916 G C 1.314 176.162 174.900 -0.087 0.000 0.982 916 G CA 0.795 45.962 45.100 0.111 0.000 0.641 916 G HN 1.446 nan 8.290 nan 0.000 0.527 917 G N 0.894 109.638 108.800 -0.092 0.000 2.408 917 G HA2 0.208 4.168 3.960 -0.000 0.000 0.215 917 G HA3 0.208 4.168 3.960 -0.000 0.000 0.215 917 G C 0.287 175.005 174.900 -0.303 0.000 1.156 917 G CA 1.553 46.471 45.100 -0.303 0.000 0.793 917 G HN 0.538 nan 8.290 nan 0.000 0.535 918 P HA 0.008 nan 4.420 nan 0.000 0.225 918 P C 0.001 177.158 177.300 -0.239 0.000 1.156 918 P CA 0.505 63.469 63.100 -0.227 0.000 0.787 918 P CB 0.112 31.828 31.700 0.026 0.000 0.802 919 Q N 0.923 120.580 119.800 -0.239 0.000 2.293 919 Q HA 0.457 4.797 4.340 -0.000 0.000 0.263 919 Q C 0.879 176.598 176.000 -0.469 0.000 1.002 919 Q CA 0.136 55.711 55.803 -0.382 0.000 0.910 919 Q CB -0.589 27.779 28.738 -0.616 0.000 1.185 919 Q HN 0.117 nan 8.270 nan 0.000 0.401 920 G N 3.560 112.138 108.800 -0.370 0.000 2.862 920 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.334 920 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.334 920 G C 0.151 174.868 174.900 -0.304 0.000 0.154 920 G CA 0.358 45.271 45.100 -0.311 0.000 1.240 920 G HN 0.847 nan 8.290 nan 0.000 0.465 921 M N 1.640 121.052 119.600 -0.314 0.000 2.769 921 M HA -0.163 4.317 4.480 -0.000 0.000 0.222 921 M C 0.778 176.710 176.300 -0.613 0.000 0.471 921 M CA 1.022 56.026 55.300 -0.494 0.000 0.713 921 M CB -1.315 30.900 32.600 -0.643 0.000 2.645 921 M HN 1.346 nan 8.290 nan 0.000 0.688 922 L N -2.747 118.367 121.223 -0.181 0.000 1.582 922 L HA -0.153 4.187 4.340 -0.000 0.000 0.414 922 L C 1.152 177.962 176.870 -0.100 0.000 1.110 922 L CA 0.809 55.624 54.840 -0.041 0.000 2.475 922 L CB -1.087 40.873 42.059 -0.166 0.000 1.473 922 L HN 0.300 nan 8.230 nan 0.000 0.620 923 I N 2.341 122.803 120.570 -0.180 0.000 2.053 923 I HA -0.151 4.019 4.170 -0.000 0.000 0.227 923 I C 1.655 177.500 176.117 -0.452 0.000 1.017 923 I CA 1.886 63.058 61.300 -0.214 0.000 1.315 923 I CB -1.738 36.191 38.000 -0.119 0.000 1.036 923 I HN 0.431 nan 8.210 nan 0.000 0.386 924 A N 1.104 123.520 122.820 -0.673 0.000 2.492 924 A HA 0.248 4.568 4.320 -0.000 0.000 0.254 924 A C 0.620 177.688 177.584 -0.861 0.000 1.091 924 A CA 0.320 51.387 52.037 -1.616 0.000 0.768 924 A CB 0.051 18.222 19.000 -1.383 0.000 1.028 924 A HN 0.551 nan 8.150 nan 0.000 0.498 925 E N 0.386 120.099 120.200 -0.812 0.000 3.485 925 E HA -0.116 4.234 4.350 -0.000 0.000 0.385 925 E C -0.356 176.050 176.600 -0.322 0.000 0.788 925 E CA 0.710 56.873 56.400 -0.396 0.000 1.343 925 E CB -1.304 28.323 29.700 -0.121 0.000 1.574 925 E HN 1.014 nan 8.360 nan 0.000 0.374 926 C N -2.211 116.994 119.300 -0.159 0.000 3.310 926 C HA 0.139 4.599 4.460 -0.000 0.000 0.174 926 C C 1.735 176.846 174.990 0.202 0.000 2.626 926 C CA 1.098 60.169 59.018 0.089 0.000 0.955 926 C CB -1.194 26.598 27.740 0.087 0.000 1.308 926 C HN 0.745 nan 8.230 nan 0.000 0.688 927 W N 2.238 123.488 121.300 -0.084 0.000 2.141 927 W HA -0.511 4.149 4.660 0.000 0.000 0.359 927 W C 1.971 178.423 176.519 -0.111 0.000 1.633 927 W CA 3.260 60.596 57.345 -0.015 0.000 1.751 927 W CB -1.039 28.218 29.460 -0.339 0.000 0.970 927 W HN 0.554 nan 8.180 nan 0.000 0.468 928 M N 2.101 122.199 119.600 0.831 0.000 2.065 928 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 928 M C 2.334 178.649 176.300 0.026 0.000 1.071 928 M CA 3.221 58.750 55.300 0.381 0.000 1.109 928 M CB -1.167 31.364 32.600 -0.115 0.000 1.313 928 M HN 0.191 nan 8.290 nan 0.000 0.408 929 S N -0.807 114.855 115.700 -0.063 0.000 2.507 929 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 929 S C 1.735 176.308 174.600 -0.045 0.000 0.988 929 S CA 1.080 59.227 58.200 -0.088 0.000 0.944 929 S CB -0.654 62.457 63.200 -0.147 0.000 0.762 929 S HN 0.619 nan 8.310 nan 0.000 0.526 930 E N 0.773 120.965 120.200 -0.013 0.000 2.122 930 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 930 E C 1.883 178.403 176.600 -0.133 0.000 0.977 930 E CA 0.450 56.836 56.400 -0.024 0.000 0.820 930 E CB -0.111 29.626 29.700 0.062 0.000 0.770 930 E HN 0.288 nan 8.360 nan 0.000 0.462 931 V N 1.596 121.333 119.914 -0.296 0.000 2.220 931 V HA -0.321 3.799 4.120 -0.000 0.000 0.242 931 V C 2.299 178.248 176.094 -0.242 0.000 1.041 931 V CA 2.116 64.055 62.300 -0.601 0.000 0.990 931 V CB -0.798 30.517 31.823 -0.846 0.000 0.634 931 V HN 0.367 nan 8.190 nan 0.000 0.452 932 A N -1.192 121.539 122.820 -0.148 0.000 2.159 932 A HA -0.210 4.110 4.320 -0.000 0.000 0.222 932 A C 2.237 179.820 177.584 -0.002 0.000 1.163 932 A CA 2.248 54.258 52.037 -0.046 0.000 0.664 932 A CB -0.618 18.364 19.000 -0.030 0.000 0.803 932 A HN 0.391 nan 8.150 nan 0.000 0.470 933 V N -1.776 118.132 119.914 -0.010 0.000 2.575 933 V HA -0.105 4.015 4.120 -0.000 0.000 0.242 933 V C 2.627 178.751 176.094 0.050 0.000 1.045 933 V CA 2.137 64.451 62.300 0.024 0.000 1.065 933 V CB -0.437 31.395 31.823 0.017 0.000 0.717 933 V HN 0.585 nan 8.190 nan 0.000 0.467 934 T N -0.709 113.880 114.554 0.059 0.000 2.684 934 T HA -0.259 4.091 4.350 -0.000 0.000 0.267 934 T C 1.934 176.736 174.700 0.169 0.000 1.036 934 T CA 2.123 64.305 62.100 0.136 0.000 1.148 934 T CB -0.458 68.559 68.868 0.249 0.000 0.863 934 T HN 0.552 nan 8.240 nan 0.000 0.436 935 C N 0.416 119.828 119.300 0.187 0.000 2.432 935 C HA 0.371 4.831 4.460 -0.000 0.000 0.277 935 C C 1.667 176.710 174.990 0.088 0.000 1.249 935 C CA 0.358 59.465 59.018 0.147 0.000 1.725 935 C CB -1.516 26.311 27.740 0.144 0.000 2.028 935 C HN 0.894 nan 8.230 nan 0.000 0.477 936 G N 0.682 109.524 108.800 0.070 0.000 3.436 936 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.685 936 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.685 936 G C 0.011 174.944 174.900 0.056 0.000 1.039 936 G CA 0.037 45.172 45.100 0.058 0.000 0.879 936 G HN 0.320 nan 8.290 nan 0.000 0.478 937 M N 2.535 122.169 119.600 0.057 0.000 2.197 937 M HA 0.285 4.765 4.480 -0.000 0.000 0.241 937 M C -1.238 175.101 176.300 0.066 0.000 1.225 937 M CA 0.466 55.802 55.300 0.061 0.000 1.079 937 M CB -2.444 30.198 32.600 0.069 0.000 1.090 937 M HN 0.428 nan 8.290 nan 0.000 0.456 938 P HA -0.033 nan 4.420 nan 0.000 0.263 938 P C 0.452 177.813 177.300 0.102 0.000 1.162 938 P CA 0.800 63.965 63.100 0.108 0.000 0.758 938 P CB 0.153 31.942 31.700 0.148 0.000 0.773 939 A N 3.477 126.359 122.820 0.105 0.000 1.927 939 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 939 A C 2.181 179.827 177.584 0.104 0.000 1.185 939 A CA 1.873 53.960 52.037 0.085 0.000 0.639 939 A CB -0.922 18.126 19.000 0.080 0.000 0.820 939 A HN 0.683 nan 8.150 nan 0.000 0.451 940 E N -0.093 120.190 120.200 0.138 0.000 2.035 940 E HA -0.286 4.064 4.350 -0.000 0.000 0.204 940 E C 1.980 178.679 176.600 0.165 0.000 1.025 940 E CA 1.989 58.474 56.400 0.142 0.000 0.835 940 E CB -0.377 29.350 29.700 0.045 0.000 0.764 940 E HN 0.750 nan 8.360 nan 0.000 0.457 941 E N -0.451 119.828 120.200 0.133 0.000 2.160 941 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 941 E C 2.101 178.723 176.600 0.036 0.000 0.991 941 E CA 1.257 57.713 56.400 0.092 0.000 0.810 941 E CB 0.165 29.918 29.700 0.088 0.000 0.742 941 E HN 0.143 nan 8.360 nan 0.000 0.466 942 V N 0.503 120.431 119.914 0.023 0.000 2.453 942 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 942 V C 2.207 178.255 176.094 -0.076 0.000 1.048 942 V CA 1.623 63.908 62.300 -0.026 0.000 1.049 942 V CB -0.422 31.378 31.823 -0.038 0.000 0.672 942 V HN 0.214 nan 8.190 nan 0.000 0.457 943 R N 0.629 121.096 120.500 -0.054 0.000 2.062 943 R HA -0.105 4.235 4.340 -0.000 0.000 0.229 943 R C 2.521 178.723 176.300 -0.164 0.000 1.128 943 R CA 1.510 57.566 56.100 -0.073 0.000 0.960 943 R CB -0.475 29.875 30.300 0.082 0.000 0.855 943 R HN 0.525 nan 8.270 nan 0.000 0.432 944 R N 1.813 122.166 120.500 -0.246 0.000 2.127 944 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 944 R C 2.012 178.190 176.300 -0.202 0.000 1.134 944 R CA 1.929 57.792 56.100 -0.394 0.000 0.975 944 R CB -0.181 29.982 30.300 -0.228 0.000 0.865 944 R HN 0.057 nan 8.270 nan 0.000 0.447 945 K N 0.708 121.042 120.400 -0.110 0.000 2.155 945 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 945 K C 0.080 176.639 176.600 -0.068 0.000 1.052 945 K CA 1.544 57.789 56.287 -0.070 0.000 0.948 945 K CB 0.059 32.533 32.500 -0.043 0.000 0.728 945 K HN 0.652 nan 8.250 nan 0.000 0.448 946 N N 0.703 119.368 118.700 -0.059 0.000 2.541 946 N HA 0.158 4.898 4.740 -0.000 0.000 0.297 946 N C -0.917 174.640 175.510 0.077 0.000 1.503 946 N CA -0.382 52.651 53.050 -0.028 0.000 0.919 946 N CB 0.508 38.962 38.487 -0.056 0.000 1.305 946 N HN -0.046 nan 8.380 nan 0.000 0.501 947 L N 1.751 122.995 121.223 0.036 0.000 2.367 947 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 947 L C 0.262 177.134 176.870 0.002 0.000 1.129 947 L CA -0.671 54.206 54.840 0.063 0.000 0.839 947 L CB 0.120 42.161 42.059 -0.029 0.000 1.133 947 L HN 0.241 nan 8.230 nan 0.000 0.453 948 Y N 3.141 123.412 120.300 -0.049 0.000 3.137 948 Y HA -0.193 4.357 4.550 -0.000 0.000 0.348 948 Y C 0.513 176.153 175.900 -0.432 0.000 1.275 948 Y CA 0.705 58.673 58.100 -0.220 0.000 1.516 948 Y CB 0.180 38.499 38.460 -0.235 0.000 1.268 948 Y HN 0.489 nan 8.280 nan 0.000 0.644 949 K N 0.136 120.327 120.400 -0.349 0.000 2.480 949 K HA 0.492 4.812 4.320 -0.000 0.000 0.258 949 K C -1.303 174.985 176.600 -0.520 0.000 0.990 949 K CA -1.441 54.579 56.287 -0.445 0.000 0.857 949 K CB 1.295 33.672 32.500 -0.205 0.000 1.384 949 K HN 0.367 nan 8.250 nan 0.000 0.446 950 E N 0.744 120.696 120.200 -0.413 0.000 2.606 950 E HA 0.150 4.500 4.350 -0.000 0.000 0.248 950 E C 0.645 177.128 176.600 -0.195 0.000 1.005 950 E CA 1.647 57.868 56.400 -0.299 0.000 0.946 950 E CB -0.579 29.067 29.700 -0.090 0.000 0.928 950 E HN 0.806 nan 8.360 nan 0.000 0.494 951 G N 3.648 112.337 108.800 -0.184 0.000 2.131 951 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.223 951 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.223 951 G C -0.042 174.802 174.900 -0.095 0.000 0.990 951 G CA -0.019 45.021 45.100 -0.099 0.000 0.671 951 G HN 0.628 nan 8.290 nan 0.000 0.521 952 D N -0.182 120.141 120.400 -0.128 0.000 2.414 952 D HA 0.608 5.248 4.640 -0.000 0.000 0.251 952 D C 0.818 177.108 176.300 -0.018 0.000 1.252 952 D CA 0.232 54.199 54.000 -0.056 0.000 0.999 952 D CB 0.761 41.556 40.800 -0.008 0.000 1.093 952 D HN 0.413 nan 8.370 nan 0.000 0.515 953 L N -1.115 120.122 121.223 0.024 0.000 2.385 953 L HA 0.420 4.760 4.340 -0.000 0.000 0.273 953 L C 0.635 177.559 176.870 0.090 0.000 0.990 953 L CA -1.158 53.688 54.840 0.010 0.000 0.821 953 L CB 0.764 42.807 42.059 -0.027 0.000 1.279 953 L HN 0.284 nan 8.230 nan 0.000 0.412 954 T N -2.165 112.341 114.554 -0.081 0.000 2.785 954 T HA -0.050 4.300 4.350 -0.000 0.000 0.341 954 T C 1.255 175.833 174.700 -0.202 0.000 1.093 954 T CA 0.721 62.697 62.100 -0.207 0.000 1.103 954 T CB 0.067 68.274 68.868 -1.102 0.000 1.011 954 T HN 0.884 nan 8.240 nan 0.000 0.549 955 H N 0.611 119.594 119.070 -0.145 0.000 2.560 955 H HA -0.011 4.545 4.556 -0.000 0.000 0.283 955 H C 0.948 176.349 175.328 0.122 0.000 1.028 955 H CA 0.847 56.910 56.048 0.025 0.000 1.221 955 H CB -0.815 29.018 29.762 0.118 0.000 1.363 955 H HN 0.832 nan 8.280 nan 0.000 0.594 956 F N -0.374 119.462 119.950 -0.189 0.000 2.654 956 F HA 0.409 4.936 4.527 -0.000 0.000 0.303 956 F C 0.017 175.878 175.800 0.102 0.000 1.099 956 F CA -1.111 56.892 58.000 0.005 0.000 1.270 956 F CB -0.083 38.898 39.000 -0.031 0.000 1.024 956 F HN -0.148 nan 8.300 nan 0.000 0.548 957 N N 1.537 120.206 118.700 -0.051 0.000 2.780 957 N HA -0.248 4.492 4.740 -0.000 0.000 0.248 957 N C -0.295 175.245 175.510 0.051 0.000 1.102 957 N CA 0.935 53.992 53.050 0.012 0.000 0.697 957 N CB -1.194 37.331 38.487 0.064 0.000 1.028 957 N HN 0.781 nan 8.380 nan 0.000 0.554 958 Q N 0.765 120.552 119.800 -0.022 0.000 2.271 958 Q HA 0.312 4.652 4.340 -0.000 0.000 0.258 958 Q C -0.169 175.844 176.000 0.022 0.000 0.936 958 Q CA -0.584 55.270 55.803 0.085 0.000 0.909 958 Q CB 1.171 30.081 28.738 0.286 0.000 1.253 958 Q HN 0.122 nan 8.270 nan 0.000 0.440 959 K N 3.618 124.054 120.400 0.060 0.000 2.412 959 K HA 0.111 4.431 4.320 -0.000 0.000 0.281 959 K C -0.628 176.008 176.600 0.060 0.000 1.027 959 K CA -0.002 56.306 56.287 0.035 0.000 0.989 959 K CB 0.407 32.929 32.500 0.036 0.000 0.935 959 K HN 0.628 nan 8.250 nan 0.000 0.475 960 L N 5.206 126.419 121.223 -0.016 0.000 2.375 960 L HA 0.163 4.503 4.340 -0.000 0.000 0.276 960 L C 0.147 177.069 176.870 0.086 0.000 1.162 960 L CA -0.090 54.756 54.840 0.010 0.000 0.991 960 L CB 0.158 42.124 42.059 -0.154 0.000 1.315 960 L HN 0.661 nan 8.230 nan 0.000 0.431 961 E N 1.397 121.696 120.200 0.164 0.000 2.280 961 E HA 0.322 4.672 4.350 -0.000 0.000 0.264 961 E C 0.588 177.290 176.600 0.170 0.000 1.064 961 E CA -0.566 55.913 56.400 0.132 0.000 0.900 961 E CB 1.044 30.810 29.700 0.110 0.000 1.123 961 E HN 0.599 nan 8.360 nan 0.000 0.418 962 G N 2.045 110.914 108.800 0.116 0.000 2.167 962 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.233 962 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.233 962 G C -0.675 174.289 174.900 0.106 0.000 0.493 962 G CA 0.624 45.785 45.100 0.100 0.000 1.034 962 G HN 0.334 nan 8.290 nan 0.000 0.410 963 F N 3.213 123.083 119.950 -0.133 0.000 2.375 963 F HA 0.540 5.067 4.527 -0.000 0.000 0.361 963 F C 1.342 176.905 175.800 -0.395 0.000 1.117 963 F CA -0.291 57.496 58.000 -0.354 0.000 1.037 963 F CB 1.481 40.327 39.000 -0.256 0.000 1.192 963 F HN 0.226 nan 8.300 nan 0.000 0.452 964 T N 2.750 116.750 114.554 -0.923 0.000 3.014 964 T HA -0.015 4.335 4.350 -0.000 0.000 0.250 964 T C 1.811 176.179 174.700 -0.554 0.000 1.060 964 T CA 0.279 62.084 62.100 -0.493 0.000 1.040 964 T CB -0.108 68.589 68.868 -0.285 0.000 0.971 964 T HN 0.550 nan 8.240 nan 0.000 0.497 965 L N 3.295 123.836 121.223 -1.137 0.000 2.011 965 L HA -0.079 4.261 4.340 -0.000 0.000 0.225 965 L C -0.437 176.312 176.870 -0.202 0.000 1.084 965 L CA 2.467 56.894 54.840 -0.688 0.000 0.791 965 L CB -1.123 40.393 42.059 -0.905 0.000 0.898 965 L HN 0.177 nan 8.230 nan 0.000 0.440 966 P HA -0.239 nan 4.420 nan 0.000 0.217 966 P C 1.576 178.939 177.300 0.105 0.000 1.150 966 P CA 1.692 64.841 63.100 0.083 0.000 0.832 966 P CB -0.208 31.555 31.700 0.106 0.000 0.787 967 R N -0.253 120.266 120.500 0.032 0.000 2.105 967 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 967 R C 2.302 178.625 176.300 0.039 0.000 1.135 967 R CA 1.952 58.072 56.100 0.033 0.000 0.967 967 R CB -0.922 29.378 30.300 0.001 0.000 0.861 967 R HN 0.145 nan 8.270 nan 0.000 0.442 968 C N -0.555 118.761 119.300 0.026 0.000 2.429 968 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 968 C C 2.351 177.382 174.990 0.068 0.000 1.262 968 C CA 0.337 59.376 59.018 0.034 0.000 1.733 968 C CB -1.285 26.474 27.740 0.032 0.000 2.010 968 C HN 0.705 nan 8.230 nan 0.000 0.483 969 W N 1.695 122.967 121.300 -0.047 0.000 2.352 969 W HA -0.155 4.505 4.660 -0.000 0.000 0.322 969 W C 2.303 178.805 176.519 -0.029 0.000 1.208 969 W CA 2.021 59.344 57.345 -0.037 0.000 1.286 969 W CB -0.778 28.668 29.460 -0.025 0.000 1.167 969 W HN 0.317 nan 8.180 nan 0.000 0.469 970 E N 0.336 120.686 120.200 0.249 0.000 2.085 970 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 970 E C 2.065 178.672 176.600 0.012 0.000 0.994 970 E CA 2.187 58.671 56.400 0.140 0.000 0.801 970 E CB -0.568 29.222 29.700 0.150 0.000 0.743 970 E HN 0.397 nan 8.360 nan 0.000 0.453 971 E N -0.955 119.250 120.200 0.008 0.000 2.418 971 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 971 E C 1.713 178.284 176.600 -0.048 0.000 1.026 971 E CA 0.878 57.272 56.400 -0.011 0.000 0.862 971 E CB -0.043 29.656 29.700 -0.001 0.000 0.799 971 E HN 0.385 nan 8.360 nan 0.000 0.518 972 C N -0.478 118.759 119.300 -0.105 0.000 2.524 972 C HA 0.140 4.600 4.460 -0.000 0.000 0.284 972 C C 2.142 177.039 174.990 -0.156 0.000 1.346 972 C CA -0.002 58.933 59.018 -0.138 0.000 1.739 972 C CB -0.815 26.813 27.740 -0.187 0.000 2.119 972 C HN 0.453 nan 8.230 nan 0.000 0.501 973 L N 2.155 123.236 121.223 -0.237 0.000 2.450 973 L HA 0.065 4.405 4.340 -0.000 0.000 0.224 973 L C 2.566 179.406 176.870 -0.051 0.000 1.149 973 L CA 1.442 56.167 54.840 -0.191 0.000 0.816 973 L CB -0.846 41.061 42.059 -0.254 0.000 0.932 973 L HN 0.500 nan 8.230 nan 0.000 0.449 974 A N -0.002 122.796 122.820 -0.037 0.000 1.865 974 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 974 A C 2.479 180.069 177.584 0.010 0.000 1.315 974 A CA 1.285 53.327 52.037 0.008 0.000 0.605 974 A CB -1.099 17.904 19.000 0.005 0.000 0.984 974 A HN 0.389 nan 8.150 nan 0.000 0.470 975 S N 0.631 116.329 115.700 -0.003 0.000 2.353 975 S HA -0.239 4.231 4.470 -0.000 0.000 0.222 975 S C 2.221 176.824 174.600 0.006 0.000 1.035 975 S CA 2.302 60.504 58.200 0.003 0.000 1.025 975 S CB -1.258 61.940 63.200 -0.004 0.000 0.902 975 S HN 1.178 nan 8.310 nan 0.000 0.440 976 S N 2.486 118.182 115.700 -0.008 0.000 2.423 976 S HA -0.248 4.222 4.470 -0.000 0.000 0.238 976 S C 0.899 175.512 174.600 0.022 0.000 1.028 976 S CA 1.342 59.544 58.200 0.002 0.000 1.000 976 S CB -1.385 61.807 63.200 -0.013 0.000 0.797 976 S HN 0.887 nan 8.310 nan 0.000 0.487 977 Q N -0.904 118.916 119.800 0.033 0.000 2.397 977 Q HA -0.283 4.057 4.340 -0.000 0.000 0.362 977 Q C 0.107 176.143 176.000 0.061 0.000 1.324 977 Q CA 0.867 56.707 55.803 0.061 0.000 1.063 977 Q CB -2.459 26.314 28.738 0.060 0.000 1.185 977 Q HN 0.743 nan 8.270 nan 0.000 0.305 978 Y N 3.075 123.300 120.300 -0.124 0.000 2.117 978 Y HA -0.120 4.430 4.550 -0.000 0.000 0.277 978 Y C 1.223 177.013 175.900 -0.183 0.000 1.104 978 Y CA 1.957 59.927 58.100 -0.218 0.000 1.089 978 Y CB 0.062 38.285 38.460 -0.396 0.000 0.999 978 Y HN 0.786 nan 8.280 nan 0.000 0.480 979 H N 0.285 119.472 119.070 0.195 0.000 3.160 979 H HA 0.524 5.080 4.556 -0.000 0.000 0.257 979 H C 0.220 175.579 175.328 0.051 0.000 1.140 979 H CA -0.217 55.871 56.048 0.067 0.000 1.492 979 H CB 0.413 30.249 29.762 0.124 0.000 1.529 979 H HN 0.418 nan 8.280 nan 0.000 0.490 980 A N 3.418 126.303 122.820 0.109 0.000 1.749 980 A HA 0.114 4.434 4.320 -0.000 0.000 0.187 980 A C 2.071 179.669 177.584 0.022 0.000 1.742 980 A CA 0.026 52.115 52.037 0.087 0.000 1.133 980 A CB 0.029 19.068 19.000 0.065 0.000 0.996 980 A HN 0.484 nan 8.150 nan 0.000 0.585 981 R N 0.278 120.775 120.500 -0.005 0.000 2.431 981 R HA -0.393 3.947 4.340 -0.000 0.000 0.236 981 R C 2.136 178.375 176.300 -0.102 0.000 0.999 981 R CA 2.630 58.699 56.100 -0.050 0.000 0.876 981 R CB -0.633 29.628 30.300 -0.065 0.000 0.940 981 R HN 0.574 nan 8.270 nan 0.000 0.433 982 K N 0.412 120.686 120.400 -0.209 0.000 1.987 982 K HA -0.188 4.132 4.320 -0.000 0.000 0.216 982 K C 2.150 178.710 176.600 -0.068 0.000 1.051 982 K CA 2.299 58.451 56.287 -0.225 0.000 0.942 982 K CB -0.511 31.824 32.500 -0.274 0.000 0.722 982 K HN 0.205 nan 8.250 nan 0.000 0.444 983 S N 0.514 116.208 115.700 -0.011 0.000 2.368 983 S HA -0.302 4.168 4.470 -0.000 0.000 0.226 983 S C 2.032 176.657 174.600 0.041 0.000 1.044 983 S CA 2.067 60.284 58.200 0.029 0.000 1.062 983 S CB -0.669 62.558 63.200 0.046 0.000 0.931 983 S HN 0.538 nan 8.310 nan 0.000 0.440 984 E N -0.029 120.197 120.200 0.043 0.000 2.233 984 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 984 E C 1.893 178.563 176.600 0.117 0.000 1.004 984 E CA 1.567 58.014 56.400 0.079 0.000 0.819 984 E CB -0.192 29.554 29.700 0.076 0.000 0.738 984 E HN 0.545 nan 8.360 nan 0.000 0.478 985 V N 2.009 121.965 119.914 0.071 0.000 2.231 985 V HA -0.194 3.926 4.120 -0.000 0.000 0.240 985 V C 0.658 176.839 176.094 0.145 0.000 1.039 985 V CA 1.849 64.201 62.300 0.087 0.000 0.998 985 V CB -0.486 31.347 31.823 0.016 0.000 0.639 985 V HN 0.339 nan 8.190 nan 0.000 0.451 986 D N 1.088 121.543 120.400 0.091 0.000 2.412 986 D HA 0.233 4.873 4.640 -0.000 0.000 0.257 986 D C 0.531 176.883 176.300 0.088 0.000 1.217 986 D CA 0.645 54.695 54.000 0.083 0.000 0.897 986 D CB 1.498 42.329 40.800 0.051 0.000 1.132 986 D HN 0.533 nan 8.370 nan 0.000 0.493 987 K N 1.373 121.828 120.400 0.092 0.000 2.579 987 K HA -0.200 4.120 4.320 -0.000 0.000 0.442 987 K C 0.682 177.359 176.600 0.130 0.000 0.370 987 K CA 0.299 56.642 56.287 0.094 0.000 1.970 987 K CB -1.782 30.785 32.500 0.112 0.000 0.486 987 K HN 0.208 nan 8.250 nan 0.000 0.341 988 F N 2.845 122.839 119.950 0.073 0.000 2.102 988 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 988 F C 1.677 177.503 175.800 0.044 0.000 1.105 988 F CA 2.340 60.390 58.000 0.084 0.000 1.239 988 F CB -0.306 38.753 39.000 0.100 0.000 0.991 988 F HN 0.278 nan 8.300 nan 0.000 0.474 989 N N 0.989 119.790 118.700 0.167 0.000 2.061 989 N HA -0.258 4.481 4.740 -0.000 0.000 0.193 989 N C 1.926 177.390 175.510 -0.075 0.000 1.030 989 N CA 1.623 54.694 53.050 0.034 0.000 0.856 989 N CB -0.684 37.848 38.487 0.075 0.000 1.023 989 N HN 0.402 nan 8.380 nan 0.000 0.424 990 K N 1.295 121.664 120.400 -0.051 0.000 2.009 990 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 990 K C 1.430 177.965 176.600 -0.109 0.000 1.049 990 K CA 1.408 57.653 56.287 -0.071 0.000 0.929 990 K CB -0.040 32.440 32.500 -0.034 0.000 0.714 990 K HN 0.190 nan 8.250 nan 0.000 0.440 991 E N 0.119 120.243 120.200 -0.126 0.000 2.418 991 E HA 0.001 4.351 4.350 -0.000 0.000 0.197 991 E C -0.186 176.291 176.600 -0.206 0.000 1.026 991 E CA 0.170 56.485 56.400 -0.141 0.000 0.862 991 E CB 0.215 29.849 29.700 -0.110 0.000 0.799 991 E HN 0.264 nan 8.360 nan 0.000 0.518 992 N N -0.704 117.814 118.700 -0.304 0.000 2.314 992 N HA 0.106 4.846 4.740 -0.000 0.000 0.294 992 N C -0.602 174.778 175.510 -0.216 0.000 1.029 992 N CA -0.287 52.582 53.050 -0.301 0.000 0.845 992 N CB 1.917 40.046 38.487 -0.597 0.000 1.321 992 N HN -0.019 nan 8.380 nan 0.000 0.481 993 c N 1.098 119.595 118.600 -0.170 0.000 2.558 993 c HA 0.236 4.806 4.570 -0.000 0.000 0.288 993 c C 1.253 175.107 174.090 -0.393 0.000 1.338 993 c CA -0.142 55.960 56.329 -0.379 0.000 1.760 993 c CB -0.515 41.681 42.510 -0.523 0.000 2.159 993 c HN 0.849 nan 8.230 nan 0.000 0.518 994 W N 0.620 121.980 121.300 0.100 0.000 2.725 994 W HA 0.335 4.995 4.660 -0.000 0.000 0.336 994 W C 0.476 177.069 176.519 0.124 0.000 1.012 994 W CA -0.327 57.103 57.345 0.143 0.000 1.566 994 W CB 0.524 30.087 29.460 0.171 0.000 1.068 994 W HN -0.051 nan 8.180 nan 0.000 0.546 995 K N 1.251 121.831 120.400 0.300 0.000 2.426 995 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 995 K C -0.296 176.469 176.600 0.274 0.000 0.941 995 K CA -0.859 55.595 56.287 0.278 0.000 0.808 995 K CB 2.499 35.181 32.500 0.303 0.000 1.265 995 K HN -0.416 nan 8.250 nan 0.000 0.432 996 K N 1.950 122.527 120.400 0.296 0.000 2.512 996 K HA 0.485 4.805 4.320 -0.000 0.000 0.263 996 K C -0.737 176.013 176.600 0.249 0.000 0.966 996 K CA -0.892 55.573 56.287 0.297 0.000 0.851 996 K CB 2.610 35.200 32.500 0.150 0.000 1.395 996 K HN 0.520 nan 8.250 nan 0.000 0.440 997 R N -0.373 120.254 120.500 0.212 0.000 2.873 997 R HA 0.734 5.074 4.340 -0.000 0.000 0.264 997 R C -0.218 176.099 176.300 0.027 0.000 1.026 997 R CA -1.034 55.084 56.100 0.031 0.000 1.002 997 R CB 2.039 32.269 30.300 -0.118 0.000 1.174 997 R HN 0.776 nan 8.270 nan 0.000 0.488 998 G N 0.831 109.627 108.800 -0.006 0.000 2.706 998 G HA2 0.566 4.526 3.960 -0.000 0.000 0.297 998 G HA3 0.566 4.526 3.960 -0.000 0.000 0.297 998 G C -2.119 172.780 174.900 -0.002 0.000 1.403 998 G CA -0.420 44.684 45.100 0.006 0.000 0.954 998 G HN 0.384 nan 8.290 nan 0.000 0.500 999 L N 0.553 121.779 121.223 0.005 0.000 2.393 999 L HA 0.946 5.286 4.340 -0.000 0.000 0.260 999 L C -0.858 176.060 176.870 0.080 0.000 1.002 999 L CA -0.400 54.440 54.840 0.000 0.000 0.818 999 L CB 2.242 44.235 42.059 -0.110 0.000 1.369 999 L HN 0.920 nan 8.230 nan 0.000 0.412 1000 C N 3.374 122.761 119.300 0.145 0.000 3.275 1000 C HA 0.707 5.167 4.460 -0.000 0.000 0.345 1000 C C -1.841 173.246 174.990 0.162 0.000 1.257 1000 C CA -0.759 58.383 59.018 0.207 0.000 1.203 1000 C CB 1.248 29.099 27.740 0.186 0.000 1.492 1000 C HN 0.966 nan 8.230 nan 0.000 0.484 1001 I N 4.089 124.715 120.570 0.093 0.000 2.563 1001 I HA 0.751 4.921 4.170 -0.000 0.000 0.285 1001 I C -1.519 174.600 176.117 0.005 0.000 1.123 1001 I CA 0.035 61.299 61.300 -0.060 0.000 1.059 1001 I CB 0.925 38.736 38.000 -0.315 0.000 1.229 1001 I HN 0.517 nan 8.210 nan 0.000 0.442 1002 I N 9.794 130.376 120.570 0.021 0.000 2.646 1002 I HA 0.724 4.894 4.170 -0.000 0.000 0.299 1002 I C -2.368 173.825 176.117 0.126 0.000 1.036 1002 I CA -1.811 59.539 61.300 0.084 0.000 1.074 1002 I CB 2.144 40.131 38.000 -0.022 0.000 1.258 1002 I HN 0.383 nan 8.210 nan 0.000 0.430 1003 P HA 0.597 nan 4.420 nan 0.000 0.288 1003 P C -1.077 176.315 177.300 0.154 0.000 1.297 1003 P CA -0.708 62.520 63.100 0.212 0.000 0.864 1003 P CB 2.226 34.062 31.700 0.227 0.000 1.237 1004 T N -1.326 113.332 114.554 0.172 0.000 3.003 1004 T HA 0.549 4.899 4.350 -0.000 0.000 0.354 1004 T C -2.056 172.753 174.700 0.182 0.000 1.651 1004 T CA -0.746 61.498 62.100 0.241 0.000 1.103 1004 T CB 0.735 69.837 68.868 0.391 0.000 1.450 1004 T HN 0.717 nan 8.240 nan 0.000 0.484 1005 K N 2.356 122.845 120.400 0.148 0.000 2.464 1005 K HA 0.813 5.133 4.320 -0.000 0.000 0.253 1005 K C -1.971 174.724 176.600 0.157 0.000 0.933 1005 K CA -0.972 55.306 56.287 -0.015 0.000 0.801 1005 K CB 2.081 34.467 32.500 -0.189 0.000 1.271 1005 K HN 0.396 nan 8.250 nan 0.000 0.430 1006 F N 1.461 121.388 119.950 -0.038 0.000 2.617 1006 F HA 0.450 4.977 4.527 -0.000 0.000 0.325 1006 F C -0.037 175.715 175.800 -0.079 0.000 1.179 1006 F CA -0.289 57.718 58.000 0.011 0.000 0.965 1006 F CB 2.010 40.965 39.000 -0.075 0.000 1.232 1006 F HN 0.858 nan 8.300 nan 0.000 0.461 1007 G N 5.982 114.473 108.800 -0.516 0.000 2.365 1007 G HA2 0.369 4.329 3.960 -0.000 0.000 0.249 1007 G HA3 0.369 4.329 3.960 -0.000 0.000 0.249 1007 G C -0.693 173.788 174.900 -0.697 0.000 1.288 1007 G CA -0.261 43.930 45.100 -1.515 0.000 0.887 1007 G HN 0.616 nan 8.290 nan 0.000 0.524 1008 I N 1.817 122.107 120.570 -0.467 0.000 2.312 1008 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 1008 I C 0.270 176.311 176.117 -0.125 0.000 1.008 1008 I CA 0.621 61.785 61.300 -0.226 0.000 1.226 1008 I CB 1.307 39.073 38.000 -0.390 0.000 1.371 1008 I HN 0.520 nan 8.210 nan 0.000 0.468 1009 S N 4.208 119.909 115.700 0.003 0.000 2.798 1009 S HA 0.175 4.644 4.470 -0.000 0.000 0.277 1009 S C -0.767 173.818 174.600 -0.026 0.000 0.840 1009 S CA -0.973 57.207 58.200 -0.034 0.000 0.967 1009 S CB 0.115 63.277 63.200 -0.064 0.000 1.219 1009 S HN 0.289 nan 8.310 nan 0.000 0.481 1010 F N 2.594 122.519 119.950 -0.042 0.000 2.572 1010 F HA 0.085 4.612 4.527 -0.000 0.000 0.370 1010 F C 2.356 178.047 175.800 -0.182 0.000 1.103 1010 F CA 1.376 59.349 58.000 -0.044 0.000 1.286 1010 F CB 0.922 39.906 39.000 -0.026 0.000 1.105 1010 F HN 0.855 nan 8.300 nan 0.000 0.583 1011 T N -0.188 114.328 114.554 -0.062 0.000 2.652 1011 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 1011 T C 0.835 175.432 174.700 -0.171 0.000 1.039 1011 T CA 0.692 62.668 62.100 -0.206 0.000 1.153 1011 T CB -0.770 67.975 68.868 -0.205 0.000 0.863 1011 T HN 0.194 nan 8.240 nan 0.000 0.428 1012 V N 5.585 125.398 119.914 -0.167 0.000 2.475 1012 V HA 0.060 4.180 4.120 -0.000 0.000 0.292 1012 V C -0.569 175.336 176.094 -0.315 0.000 1.003 1012 V CA -0.817 61.278 62.300 -0.342 0.000 1.120 1012 V CB 0.575 32.071 31.823 -0.544 0.000 0.937 1012 V HN 0.461 nan 8.190 nan 0.000 0.476 1013 P HA -0.147 nan 4.420 nan 0.000 0.217 1013 P C 1.336 178.581 177.300 -0.092 0.000 1.151 1013 P CA 1.199 64.207 63.100 -0.153 0.000 0.828 1013 P CB -0.026 31.613 31.700 -0.101 0.000 0.788 1014 F N -0.639 119.262 119.950 -0.081 0.000 2.805 1014 F HA 0.136 4.663 4.527 -0.000 0.000 0.301 1014 F C 1.342 177.043 175.800 -0.166 0.000 1.196 1014 F CA -0.185 57.757 58.000 -0.097 0.000 1.439 1014 F CB -1.947 37.012 39.000 -0.069 0.000 1.117 1014 F HN -0.209 nan 8.300 nan 0.000 0.581 1015 L N 0.228 121.469 121.223 0.030 0.000 2.529 1015 L HA 0.118 4.458 4.340 -0.000 0.000 0.223 1015 L C 0.870 177.530 176.870 -0.351 0.000 1.113 1015 L CA 0.059 54.712 54.840 -0.311 0.000 0.861 1015 L CB -0.559 40.914 42.059 -0.977 0.000 1.012 1015 L HN 0.072 nan 8.230 nan 0.000 0.461 1016 N N 3.092 121.749 118.700 -0.071 0.000 3.127 1016 N HA 0.016 4.756 4.740 -0.000 0.000 0.317 1016 N C -0.471 175.031 175.510 -0.013 0.000 1.242 1016 N CA 0.267 53.351 53.050 0.057 0.000 1.203 1016 N CB 0.077 38.588 38.487 0.039 0.000 1.462 1016 N HN 0.533 nan 8.380 nan 0.000 0.546 1017 Q N -0.850 118.934 119.800 -0.027 0.000 2.289 1017 Q HA 0.800 5.140 4.340 -0.000 0.000 0.270 1017 Q C -1.424 174.509 176.000 -0.113 0.000 1.038 1017 Q CA -1.039 54.725 55.803 -0.065 0.000 0.812 1017 Q CB 2.030 30.739 28.738 -0.048 0.000 1.300 1017 Q HN 0.107 nan 8.270 nan 0.000 0.427 1018 A N 1.498 124.242 122.820 -0.126 0.000 2.681 1018 A HA 1.067 5.387 4.320 -0.000 0.000 0.278 1018 A C -0.614 176.759 177.584 -0.352 0.000 1.272 1018 A CA -0.488 51.423 52.037 -0.210 0.000 0.750 1018 A CB 1.584 20.557 19.000 -0.045 0.000 1.351 1018 A HN 1.138 nan 8.150 nan 0.000 0.514 1019 G N -2.326 106.358 108.800 -0.193 0.000 2.667 1019 G HA2 0.774 4.734 3.960 -0.000 0.000 0.294 1019 G HA3 0.774 4.734 3.960 -0.000 0.000 0.294 1019 G C -0.949 173.943 174.900 -0.013 0.000 1.467 1019 G CA 0.463 45.465 45.100 -0.163 0.000 0.852 1019 G HN 2.014 nan 8.290 nan 0.000 0.521 1020 A N -0.434 122.408 122.820 0.037 0.000 2.602 1020 A HA 0.907 5.227 4.320 -0.000 0.000 0.290 1020 A C -2.136 175.465 177.584 0.029 0.000 1.114 1020 A CA -0.702 51.374 52.037 0.065 0.000 0.683 1020 A CB 2.055 21.117 19.000 0.103 0.000 1.281 1020 A HN 1.996 nan 8.150 nan 0.000 0.416 1021 L N 0.915 122.138 121.223 0.000 0.000 2.441 1021 L HA 0.742 5.082 4.340 -0.000 0.000 0.270 1021 L C -1.563 175.219 176.870 -0.145 0.000 0.973 1021 L CA -0.611 54.174 54.840 -0.090 0.000 0.842 1021 L CB 1.515 43.510 42.059 -0.106 0.000 1.239 1021 L HN 0.886 nan 8.230 nan 0.000 0.406 1022 L N 4.434 125.550 121.223 -0.178 0.000 2.317 1022 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 1022 L C -1.242 175.427 176.870 -0.335 0.000 1.024 1022 L CA 0.196 54.927 54.840 -0.182 0.000 0.810 1022 L CB 1.421 43.450 42.059 -0.050 0.000 1.240 1022 L HN 0.737 nan 8.230 nan 0.000 0.427 1023 H N 2.781 121.811 119.070 -0.067 0.000 2.572 1023 H HA 0.749 5.305 4.556 -0.000 0.000 0.359 1023 H C -1.015 174.162 175.328 -0.253 0.000 1.134 1023 H CA -0.957 54.968 56.048 -0.204 0.000 1.187 1023 H CB 2.099 31.648 29.762 -0.356 0.000 1.597 1023 H HN 0.508 nan 8.280 nan 0.000 0.524 1024 V N 3.433 123.260 119.914 -0.145 0.000 2.409 1024 V HA 0.204 4.324 4.120 -0.000 0.000 0.291 1024 V C -0.555 175.372 176.094 -0.278 0.000 1.020 1024 V CA -0.872 61.354 62.300 -0.123 0.000 0.848 1024 V CB 0.280 32.111 31.823 0.012 0.000 0.990 1024 V HN 0.688 nan 8.190 nan 0.000 0.430 1025 Y N 1.711 122.030 120.300 0.031 0.000 2.298 1025 Y HA 0.188 4.738 4.550 -0.000 0.000 0.329 1025 Y C 2.098 177.936 175.900 -0.105 0.000 1.293 1025 Y CA -0.110 57.961 58.100 -0.049 0.000 1.388 1025 Y CB 1.119 39.558 38.460 -0.034 0.000 1.309 1025 Y HN 0.767 nan 8.280 nan 0.000 0.544 1026 T N -2.933 111.625 114.554 0.007 0.000 3.219 1026 T HA -0.144 4.206 4.350 -0.000 0.000 0.264 1026 T C 0.447 175.102 174.700 -0.076 0.000 1.178 1026 T CA 1.145 63.155 62.100 -0.150 0.000 1.057 1026 T CB -0.417 68.252 68.868 -0.331 0.000 0.919 1026 T HN 0.770 nan 8.240 nan 0.000 0.545 1027 D N -0.861 119.540 120.400 0.002 0.000 2.520 1027 D HA 0.249 4.889 4.640 -0.000 0.000 0.223 1027 D C 1.458 177.798 176.300 0.067 0.000 1.186 1027 D CA 0.369 54.378 54.000 0.015 0.000 0.821 1027 D CB -0.067 40.739 40.800 0.011 0.000 1.072 1027 D HN 0.439 nan 8.370 nan 0.000 0.518 1028 G N 0.867 109.726 108.800 0.098 0.000 2.313 1028 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 1028 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 1028 G C 0.405 175.520 174.900 0.359 0.000 1.023 1028 G CA 0.173 45.414 45.100 0.235 0.000 0.626 1028 G HN 0.660 nan 8.290 nan 0.000 0.503 1029 S N 0.132 115.987 115.700 0.258 0.000 2.572 1029 S HA 0.623 5.093 4.470 -0.000 0.000 0.279 1029 S C 0.068 174.841 174.600 0.288 0.000 1.341 1029 S CA -0.124 58.231 58.200 0.259 0.000 1.043 1029 S CB 2.599 65.922 63.200 0.204 0.000 0.887 1029 S HN 1.020 nan 8.310 nan 0.000 0.516 1030 V N 2.438 122.492 119.914 0.233 0.000 2.628 1030 V HA 0.502 4.622 4.120 -0.000 0.000 0.306 1030 V C -0.732 175.477 176.094 0.192 0.000 1.045 1030 V CA -0.797 61.617 62.300 0.189 0.000 0.905 1030 V CB 1.660 33.576 31.823 0.155 0.000 0.997 1030 V HN 0.809 nan 8.190 nan 0.000 0.436 1031 L N 5.933 127.252 121.223 0.160 0.000 2.384 1031 L HA 0.521 4.861 4.340 -0.000 0.000 0.261 1031 L C -0.652 176.302 176.870 0.140 0.000 1.024 1031 L CA 0.253 55.216 54.840 0.205 0.000 0.899 1031 L CB 0.913 43.163 42.059 0.318 0.000 1.243 1031 L HN 0.530 nan 8.230 nan 0.000 0.449 1032 L N 3.135 124.430 121.223 0.120 0.000 2.331 1032 L HA 0.500 4.840 4.340 -0.000 0.000 0.278 1032 L C 0.275 177.218 176.870 0.121 0.000 1.106 1032 L CA 0.061 54.953 54.840 0.087 0.000 0.824 1032 L CB 1.541 43.638 42.059 0.062 0.000 1.142 1032 L HN 0.622 nan 8.230 nan 0.000 0.443 1033 T N 2.849 117.477 114.554 0.123 0.000 2.906 1033 T HA 0.621 4.971 4.350 -0.000 0.000 0.295 1033 T C -0.956 173.896 174.700 0.253 0.000 1.061 1033 T CA -0.552 61.657 62.100 0.182 0.000 1.000 1033 T CB 1.123 70.045 68.868 0.089 0.000 1.103 1033 T HN 0.783 nan 8.240 nan 0.000 0.486 1034 H N 0.179 119.284 119.070 0.058 0.000 2.942 1034 H HA 0.480 5.036 4.556 -0.000 0.000 0.316 1034 H C 1.189 176.538 175.328 0.036 0.000 1.323 1034 H CA -0.278 55.793 56.048 0.038 0.000 1.144 1034 H CB 0.917 30.705 29.762 0.044 0.000 1.866 1034 H HN 0.763 nan 8.280 nan 0.000 0.545 1035 G N -0.215 108.571 108.800 -0.022 0.000 2.469 1035 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.219 1035 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.219 1035 G C 0.710 175.516 174.900 -0.157 0.000 1.150 1035 G CA 0.859 45.907 45.100 -0.087 0.000 0.763 1035 G HN 0.845 nan 8.290 nan 0.000 0.561 1036 G N -1.122 107.554 108.800 -0.208 0.000 2.461 1036 G HA2 0.527 4.487 3.960 -0.000 0.000 0.329 1036 G HA3 0.527 4.487 3.960 -0.000 0.000 0.329 1036 G C -0.444 174.305 174.900 -0.252 0.000 1.170 1036 G CA 0.264 45.280 45.100 -0.140 0.000 0.935 1036 G HN 0.481 nan 8.290 nan 0.000 0.492 1037 T N -1.944 112.510 114.554 -0.166 0.000 2.856 1037 T HA 0.572 4.922 4.350 -0.000 0.000 0.283 1037 T C -0.499 174.097 174.700 -0.174 0.000 1.008 1037 T CA -0.757 61.254 62.100 -0.148 0.000 0.997 1037 T CB 2.307 71.124 68.868 -0.084 0.000 0.992 1037 T HN 0.491 nan 8.240 nan 0.000 0.454 1038 E N 2.175 122.288 120.200 -0.146 0.000 2.089 1038 E HA 0.371 4.721 4.350 -0.000 0.000 0.284 1038 E C 0.051 176.633 176.600 -0.029 0.000 1.023 1038 E CA -0.320 56.017 56.400 -0.105 0.000 0.819 1038 E CB 0.560 30.260 29.700 0.000 0.000 1.076 1038 E HN 0.693 nan 8.360 nan 0.000 0.396 1039 M N 3.711 123.277 119.600 -0.057 0.000 2.549 1039 M HA 0.296 4.776 4.480 -0.000 0.000 0.273 1039 M C 0.504 176.780 176.300 -0.040 0.000 1.213 1039 M CA 0.326 55.589 55.300 -0.062 0.000 0.976 1039 M CB 0.739 33.256 32.600 -0.138 0.000 1.457 1039 M HN 0.752 nan 8.290 nan 0.000 0.485 1040 G N 2.787 111.609 108.800 0.037 0.000 2.734 1040 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.277 1040 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.277 1040 G C -0.101 174.833 174.900 0.056 0.000 1.099 1040 G CA 0.276 45.425 45.100 0.082 0.000 1.218 1040 G HN 0.624 nan 8.290 nan 0.000 0.554 1041 Q N 0.129 119.992 119.800 0.106 0.000 1.720 1041 Q HA 0.280 4.620 4.340 -0.000 0.000 0.164 1041 Q C 1.124 177.104 176.000 -0.033 0.000 0.781 1041 Q CA 0.898 56.703 55.803 0.003 0.000 0.818 1041 Q CB -0.119 28.572 28.738 -0.079 0.000 1.228 1041 Q HN 2.315 nan 8.270 nan 0.000 0.376 1042 G N 2.676 111.437 108.800 -0.065 0.000 2.225 1042 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.267 1042 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.267 1042 G C 0.589 175.368 174.900 -0.202 0.000 1.024 1042 G CA 0.619 45.551 45.100 -0.281 0.000 0.784 1042 G HN 0.382 nan 8.290 nan 0.000 0.507 1043 L N -0.170 120.945 121.223 -0.180 0.000 2.046 1043 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 1043 L C 2.352 179.135 176.870 -0.145 0.000 1.077 1043 L CA 2.939 57.678 54.840 -0.168 0.000 0.747 1043 L CB -0.940 40.994 42.059 -0.209 0.000 0.896 1043 L HN 0.568 nan 8.230 nan 0.000 0.432 1044 H N -1.801 117.211 119.070 -0.097 0.000 2.395 1044 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 1044 H C 1.852 177.081 175.328 -0.164 0.000 1.070 1044 H CA 1.543 57.538 56.048 -0.088 0.000 1.356 1044 H CB 0.138 29.861 29.762 -0.065 0.000 1.401 1044 H HN 0.356 nan 8.280 nan 0.000 0.524 1045 T N 0.272 114.753 114.554 -0.122 0.000 2.904 1045 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 1045 T C 1.678 176.312 174.700 -0.109 0.000 1.059 1045 T CA 0.979 62.994 62.100 -0.142 0.000 1.137 1045 T CB 0.041 68.779 68.868 -0.217 0.000 0.879 1045 T HN 0.300 nan 8.240 nan 0.000 0.467 1046 K N 0.453 120.787 120.400 -0.111 0.000 2.116 1046 K HA 0.150 4.470 4.320 -0.000 0.000 0.203 1046 K C 2.226 178.769 176.600 -0.095 0.000 1.052 1046 K CA 0.724 56.956 56.287 -0.092 0.000 0.952 1046 K CB -0.086 32.365 32.500 -0.082 0.000 0.729 1046 K HN 0.148 nan 8.250 nan 0.000 0.446 1047 M N 0.564 120.089 119.600 -0.124 0.000 2.229 1047 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 1047 M C 2.167 178.398 176.300 -0.115 0.000 1.063 1047 M CA 1.175 56.372 55.300 -0.171 0.000 1.114 1047 M CB -0.660 31.712 32.600 -0.381 0.000 1.387 1047 M HN -0.058 nan 8.290 nan 0.000 0.420 1048 V N 0.610 120.470 119.914 -0.089 0.000 2.233 1048 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 1048 V C 2.398 178.443 176.094 -0.081 0.000 1.050 1048 V CA 1.829 64.082 62.300 -0.079 0.000 1.010 1048 V CB -0.691 31.085 31.823 -0.078 0.000 0.637 1048 V HN 0.504 nan 8.190 nan 0.000 0.444 1049 Q N -0.744 119.004 119.800 -0.086 0.000 2.103 1049 Q HA -0.278 4.062 4.340 -0.000 0.000 0.213 1049 Q C 2.196 178.119 176.000 -0.129 0.000 1.008 1049 Q CA 2.619 58.361 55.803 -0.101 0.000 0.879 1049 Q CB -0.655 28.022 28.738 -0.101 0.000 0.946 1049 Q HN 0.563 nan 8.270 nan 0.000 0.413 1050 V N 0.991 120.843 119.914 -0.104 0.000 2.215 1050 V HA -0.350 3.770 4.120 -0.000 0.000 0.246 1050 V C 2.289 178.367 176.094 -0.026 0.000 1.047 1050 V CA 2.138 64.403 62.300 -0.057 0.000 0.999 1050 V CB -1.224 30.632 31.823 0.056 0.000 0.635 1050 V HN 0.534 nan 8.190 nan 0.000 0.450 1051 A N -0.355 122.449 122.820 -0.025 0.000 2.032 1051 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 1051 A C 2.548 180.087 177.584 -0.075 0.000 1.165 1051 A CA 2.409 54.423 52.037 -0.037 0.000 0.645 1051 A CB -0.769 18.208 19.000 -0.038 0.000 0.807 1051 A HN 0.639 nan 8.150 nan 0.000 0.453 1052 S N -0.450 115.194 115.700 -0.093 0.000 2.383 1052 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 1052 S C 2.175 176.705 174.600 -0.116 0.000 1.026 1052 S CA 1.353 59.480 58.200 -0.120 0.000 0.981 1052 S CB -0.392 62.741 63.200 -0.112 0.000 0.818 1052 S HN 0.665 nan 8.310 nan 0.000 0.472 1053 R N 0.573 121.006 120.500 -0.110 0.000 2.075 1053 R HA 0.048 4.388 4.340 -0.000 0.000 0.232 1053 R C 2.444 178.722 176.300 -0.037 0.000 1.126 1053 R CA 1.291 57.331 56.100 -0.099 0.000 0.963 1053 R CB -0.822 29.356 30.300 -0.204 0.000 0.858 1053 R HN 0.496 nan 8.270 nan 0.000 0.435 1054 A N 0.649 123.457 122.820 -0.020 0.000 1.933 1054 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 1054 A C 1.903 179.443 177.584 -0.075 0.000 1.175 1054 A CA 1.142 53.150 52.037 -0.048 0.000 0.628 1054 A CB -0.214 18.683 19.000 -0.172 0.000 0.814 1054 A HN 0.307 nan 8.150 nan 0.000 0.444 1055 L N -2.374 118.798 121.223 -0.085 0.000 2.354 1055 L HA 0.209 4.549 4.340 -0.000 0.000 0.212 1055 L C 0.962 177.768 176.870 -0.107 0.000 1.091 1055 L CA 1.062 55.847 54.840 -0.092 0.000 0.828 1055 L CB -0.032 41.921 42.059 -0.176 0.000 0.973 1055 L HN 0.392 nan 8.230 nan 0.000 0.461 1056 K N 0.221 120.552 120.400 -0.114 0.000 3.365 1056 K HA -0.110 4.210 4.320 -0.000 0.000 0.291 1056 K C -0.220 176.290 176.600 -0.150 0.000 1.295 1056 K CA 0.600 56.841 56.287 -0.077 0.000 0.851 1056 K CB -1.582 30.928 32.500 0.017 0.000 1.406 1056 K HN 0.399 nan 8.250 nan 0.000 0.506 1057 I N -2.803 117.600 120.570 -0.279 0.000 2.910 1057 I HA 0.609 4.779 4.170 -0.000 0.000 0.310 1057 I C -2.582 173.404 176.117 -0.219 0.000 1.043 1057 I CA -2.885 58.211 61.300 -0.340 0.000 1.053 1057 I CB 1.515 39.126 38.000 -0.649 0.000 1.242 1057 I HN -0.284 nan 8.210 nan 0.000 0.452 1058 P HA 0.065 nan 4.420 nan 0.000 0.271 1058 P C 0.950 178.190 177.300 -0.100 0.000 1.216 1058 P CA -0.046 62.988 63.100 -0.110 0.000 0.776 1058 P CB 0.656 32.309 31.700 -0.079 0.000 0.881 1059 T N 0.448 114.957 114.554 -0.075 0.000 2.760 1059 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 1059 T C 1.851 176.530 174.700 -0.035 0.000 1.047 1059 T CA 2.341 64.406 62.100 -0.059 0.000 1.139 1059 T CB -0.800 68.040 68.868 -0.047 0.000 0.855 1059 T HN 0.443 nan 8.240 nan 0.000 0.471 1060 S N 0.040 115.725 115.700 -0.026 0.000 2.419 1060 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 1060 S C 2.093 176.704 174.600 0.019 0.000 1.016 1060 S CA 1.062 59.263 58.200 0.002 0.000 0.974 1060 S CB -0.434 62.767 63.200 0.002 0.000 0.786 1060 S HN 0.688 nan 8.310 nan 0.000 0.492 1061 K N -0.041 120.353 120.400 -0.010 0.000 2.365 1061 K HA 0.290 4.610 4.320 -0.000 0.000 0.197 1061 K C 0.040 176.671 176.600 0.051 0.000 1.042 1061 K CA 0.274 56.568 56.287 0.010 0.000 0.987 1061 K CB 0.046 32.515 32.500 -0.052 0.000 0.779 1061 K HN 0.461 nan 8.250 nan 0.000 0.484 1062 I N 0.926 121.515 120.570 0.032 0.000 2.353 1062 I HA 0.118 4.288 4.170 -0.000 0.000 0.293 1062 I C -0.696 175.490 176.117 0.115 0.000 0.992 1062 I CA -0.783 60.554 61.300 0.061 0.000 1.268 1062 I CB 0.711 38.710 38.000 -0.001 0.000 1.387 1062 I HN -0.083 nan 8.210 nan 0.000 0.478 1063 Y N 6.795 127.110 120.300 0.025 0.000 2.425 1063 Y HA 0.654 5.204 4.550 -0.000 0.000 0.344 1063 Y C -0.806 175.100 175.900 0.010 0.000 0.969 1063 Y CA -0.726 57.383 58.100 0.015 0.000 1.052 1063 Y CB 1.532 40.008 38.460 0.026 0.000 1.215 1063 Y HN 0.340 nan 8.280 nan 0.000 0.451 1064 I N 4.414 124.819 120.570 -0.274 0.000 2.436 1064 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 1064 I C 0.291 176.256 176.117 -0.254 0.000 1.010 1064 I CA -0.266 60.931 61.300 -0.172 0.000 1.098 1064 I CB 2.190 39.999 38.000 -0.318 0.000 1.266 1064 I HN 0.722 nan 8.210 nan 0.000 0.434 1065 S N 5.057 120.776 115.700 0.031 0.000 2.510 1065 S HA 0.208 4.678 4.470 -0.000 0.000 0.230 1065 S C 0.306 174.901 174.600 -0.010 0.000 1.066 1065 S CA 0.282 58.559 58.200 0.128 0.000 0.941 1065 S CB 0.316 63.663 63.200 0.245 0.000 0.829 1065 S HN 0.780 nan 8.310 nan 0.000 0.530 1066 E N -0.566 119.624 120.200 -0.017 0.000 2.445 1066 E HA 0.472 4.822 4.350 -0.000 0.000 0.279 1066 E C -1.667 174.937 176.600 0.005 0.000 1.018 1066 E CA -1.022 55.378 56.400 0.001 0.000 0.816 1066 E CB 1.053 30.780 29.700 0.046 0.000 1.356 1066 E HN -0.005 nan 8.360 nan 0.000 0.462 1067 T N 1.079 115.643 114.554 0.016 0.000 2.771 1067 T HA 0.536 4.886 4.350 -0.000 0.000 0.281 1067 T C -0.704 173.987 174.700 -0.016 0.000 0.982 1067 T CA -0.512 61.575 62.100 -0.022 0.000 0.978 1067 T CB 1.189 70.026 68.868 -0.052 0.000 0.930 1067 T HN 0.482 nan 8.240 nan 0.000 0.447 1068 S N 1.201 116.891 115.700 -0.017 0.000 2.685 1068 S HA 0.609 5.079 4.470 -0.000 0.000 0.282 1068 S C 0.580 175.165 174.600 -0.026 0.000 1.159 1068 S CA -0.472 57.717 58.200 -0.019 0.000 0.833 1068 S CB 1.744 64.943 63.200 -0.003 0.000 1.151 1068 S HN 0.735 nan 8.310 nan 0.000 0.485 1069 T N 0.051 114.585 114.554 -0.033 0.000 3.264 1069 T HA 0.324 4.674 4.350 -0.000 0.000 0.257 1069 T C 0.347 175.035 174.700 -0.021 0.000 0.976 1069 T CA 0.220 62.300 62.100 -0.034 0.000 0.908 1069 T CB -1.718 67.123 68.868 -0.045 0.000 1.082 1069 T HN 0.763 nan 8.240 nan 0.000 0.567 1070 N N -1.215 117.481 118.700 -0.007 0.000 2.081 1070 N HA 0.013 4.753 4.740 -0.000 0.000 0.230 1070 N C 1.223 176.750 175.510 0.028 0.000 1.351 1070 N CA 0.046 53.101 53.050 0.008 0.000 0.840 1070 N CB 0.497 38.989 38.487 0.008 0.000 1.189 1070 N HN 0.288 nan 8.380 nan 0.000 0.503 1071 T N -2.471 112.099 114.554 0.027 0.000 3.042 1071 T HA 0.153 4.503 4.350 -0.000 0.000 0.245 1071 T C 0.512 175.226 174.700 0.023 0.000 1.029 1071 T CA 0.271 62.396 62.100 0.042 0.000 1.120 1071 T CB 0.508 69.406 68.868 0.051 0.000 0.917 1071 T HN 0.050 nan 8.240 nan 0.000 0.467 1072 V N 3.765 123.680 119.914 0.003 0.000 2.707 1072 V HA 0.485 4.605 4.120 -0.000 0.000 0.271 1072 V C -3.016 173.061 176.094 -0.029 0.000 1.013 1072 V CA -1.836 60.458 62.300 -0.010 0.000 0.908 1072 V CB 2.143 33.959 31.823 -0.013 0.000 1.051 1072 V HN 0.251 nan 8.190 nan 0.000 0.476 1073 P HA 0.552 nan 4.420 nan 0.000 0.283 1073 P C -0.574 176.697 177.300 -0.047 0.000 1.271 1073 P CA -0.174 62.908 63.100 -0.031 0.000 0.841 1073 P CB 0.983 32.674 31.700 -0.016 0.000 1.122 1074 N N -1.753 116.916 118.700 -0.052 0.000 2.816 1074 N HA -0.080 4.660 4.740 -0.000 0.000 0.247 1074 N C -0.387 175.070 175.510 -0.089 0.000 1.100 1074 N CA 0.962 53.972 53.050 -0.067 0.000 0.687 1074 N CB -2.412 36.036 38.487 -0.064 0.000 1.003 1074 N HN 0.654 nan 8.380 nan 0.000 0.554 1075 T N -2.499 112.007 114.554 -0.079 0.000 2.845 1075 T HA 0.584 4.934 4.350 -0.000 0.000 0.288 1075 T C 0.754 175.412 174.700 -0.071 0.000 0.980 1075 T CA -0.572 61.479 62.100 -0.082 0.000 1.071 1075 T CB 1.900 70.725 68.868 -0.072 0.000 0.941 1075 T HN 0.105 nan 8.240 nan 0.000 0.487 1076 S N 3.969 119.626 115.700 -0.072 0.000 2.600 1076 S HA 0.306 4.776 4.470 -0.000 0.000 0.265 1076 S C -2.038 172.576 174.600 0.024 0.000 1.325 1076 S CA -0.789 57.367 58.200 -0.074 0.000 1.002 1076 S CB -0.236 62.840 63.200 -0.206 0.000 0.921 1076 S HN 0.630 nan 8.310 nan 0.000 0.554 1077 P HA -0.005 nan 4.420 nan 0.000 0.266 1077 P C -0.584 176.813 177.300 0.162 0.000 1.186 1077 P CA 0.342 63.520 63.100 0.131 0.000 0.767 1077 P CB 0.081 31.915 31.700 0.222 0.000 0.820 1078 T N 2.320 116.914 114.554 0.066 0.000 2.855 1078 T HA 0.425 4.775 4.350 -0.000 0.000 0.290 1078 T C 0.636 175.354 174.700 0.031 0.000 0.941 1078 T CA 0.456 62.583 62.100 0.044 0.000 1.030 1078 T CB -0.104 68.750 68.868 -0.024 0.000 0.935 1078 T HN 0.437 nan 8.240 nan 0.000 0.564 1079 A N 3.051 125.905 122.820 0.057 0.000 1.877 1079 A HA 0.801 5.121 4.320 -0.000 0.000 0.177 1079 A C 1.001 178.505 177.584 -0.133 0.000 1.684 1079 A CA 0.036 52.061 52.037 -0.019 0.000 1.774 1079 A CB -0.363 18.686 19.000 0.081 0.000 1.732 1079 A HN 0.658 nan 8.150 nan 0.000 0.909 1080 A N 0.113 122.719 122.820 -0.356 0.000 3.033 1080 A HA 0.532 4.852 4.320 -0.000 0.000 0.250 1080 A C 0.898 178.398 177.584 -0.141 0.000 1.633 1080 A CA 0.923 52.798 52.037 -0.269 0.000 1.290 1080 A CB -1.338 17.483 19.000 -0.298 0.000 1.048 1080 A HN 1.499 nan 8.150 nan 0.000 0.648 1081 S N -2.320 113.328 115.700 -0.087 0.000 2.261 1081 S HA -0.273 4.197 4.470 -0.000 0.000 0.247 1081 S C 1.238 175.830 174.600 -0.014 0.000 1.195 1081 S CA 1.606 59.780 58.200 -0.043 0.000 1.464 1081 S CB -2.244 60.942 63.200 -0.024 0.000 1.835 1081 S HN 1.730 nan 8.310 nan 0.000 0.598 1082 V N 1.050 120.943 119.914 -0.035 0.000 3.541 1082 V HA 0.112 4.232 4.120 -0.000 0.000 0.267 1082 V C 2.130 178.272 176.094 0.081 0.000 1.213 1082 V CA 1.358 63.679 62.300 0.034 0.000 1.149 1082 V CB -0.383 31.457 31.823 0.029 0.000 0.822 1082 V HN 0.822 nan 8.190 nan 0.000 0.462 1083 S N 2.211 117.946 115.700 0.060 0.000 2.409 1083 S HA -0.328 4.142 4.470 -0.000 0.000 0.237 1083 S C 1.996 176.635 174.600 0.064 0.000 1.060 1083 S CA 2.121 60.364 58.200 0.071 0.000 1.052 1083 S CB -1.001 62.216 63.200 0.029 0.000 0.871 1083 S HN 1.175 nan 8.310 nan 0.000 0.465 1084 A N 2.550 125.397 122.820 0.046 0.000 1.855 1084 A HA -0.004 4.316 4.320 -0.000 0.000 0.213 1084 A C 1.933 179.548 177.584 0.052 0.000 1.195 1084 A CA 1.347 53.404 52.037 0.033 0.000 0.610 1084 A CB -0.813 18.201 19.000 0.024 0.000 0.837 1084 A HN 0.544 nan 8.150 nan 0.000 0.444 1085 D N 0.881 121.331 120.400 0.084 0.000 2.097 1085 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 1085 D C 1.867 178.222 176.300 0.093 0.000 0.989 1085 D CA 1.316 55.372 54.000 0.093 0.000 0.827 1085 D CB -0.631 40.267 40.800 0.164 0.000 0.966 1085 D HN 0.470 nan 8.370 nan 0.000 0.456 1086 L N 0.359 121.672 121.223 0.149 0.000 2.141 1086 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 1086 L C 1.935 178.891 176.870 0.143 0.000 1.094 1086 L CA 0.891 55.854 54.840 0.205 0.000 0.763 1086 L CB -0.440 41.747 42.059 0.212 0.000 0.908 1086 L HN 0.034 nan 8.230 nan 0.000 0.437 1087 N N 0.389 119.150 118.700 0.101 0.000 2.336 1087 N HA -0.035 4.705 4.740 -0.000 0.000 0.177 1087 N C 1.996 177.521 175.510 0.025 0.000 1.018 1087 N CA 1.079 54.184 53.050 0.091 0.000 0.878 1087 N CB -0.117 38.475 38.487 0.175 0.000 0.997 1087 N HN 0.313 nan 8.380 nan 0.000 0.433 1088 G N 1.634 110.438 108.800 0.007 0.000 2.663 1088 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.222 1088 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.222 1088 G C 1.587 176.488 174.900 0.003 0.000 1.146 1088 G CA 1.333 46.438 45.100 0.007 0.000 0.764 1088 G HN 0.306 nan 8.290 nan 0.000 0.608 1089 Q N -0.081 119.669 119.800 -0.083 0.000 2.137 1089 Q HA 0.321 4.661 4.340 -0.000 0.000 0.198 1089 Q C 2.789 178.793 176.000 0.007 0.000 0.960 1089 Q CA 1.544 57.208 55.803 -0.232 0.000 0.847 1089 Q CB -0.376 27.813 28.738 -0.915 0.000 0.915 1089 Q HN 0.443 nan 8.270 nan 0.000 0.448 1090 A N -0.838 122.033 122.820 0.085 0.000 1.897 1090 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 1090 A C 2.184 179.839 177.584 0.118 0.000 1.181 1090 A CA 1.230 53.350 52.037 0.138 0.000 0.620 1090 A CB -0.688 18.379 19.000 0.111 0.000 0.821 1090 A HN 0.236 nan 8.150 nan 0.000 0.443 1091 V N -1.176 118.790 119.914 0.086 0.000 2.255 1091 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 1091 V C 2.292 178.446 176.094 0.098 0.000 1.051 1091 V CA 2.297 64.635 62.300 0.063 0.000 1.018 1091 V CB -1.086 30.742 31.823 0.009 0.000 0.641 1091 V HN 0.707 nan 8.190 nan 0.000 0.445 1092 Y N 1.134 121.439 120.300 0.007 0.000 2.040 1092 Y HA -0.373 4.177 4.550 -0.000 0.000 0.275 1092 Y C 2.441 178.352 175.900 0.019 0.000 1.171 1092 Y CA 2.398 60.506 58.100 0.013 0.000 1.123 1092 Y CB -0.647 37.792 38.460 -0.036 0.000 0.963 1092 Y HN 0.176 nan 8.280 nan 0.000 0.493 1093 A N 0.488 123.490 122.820 0.303 0.000 1.884 1093 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 1093 A C 2.409 180.056 177.584 0.105 0.000 1.197 1093 A CA 2.707 54.879 52.037 0.224 0.000 0.637 1093 A CB -1.746 17.380 19.000 0.211 0.000 0.827 1093 A HN 0.707 nan 8.150 nan 0.000 0.450 1094 A N -1.213 121.659 122.820 0.086 0.000 1.902 1094 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 1094 A C 2.331 179.923 177.584 0.013 0.000 1.181 1094 A CA 1.666 53.733 52.037 0.049 0.000 0.623 1094 A CB -1.424 17.602 19.000 0.044 0.000 0.818 1094 A HN 0.649 nan 8.150 nan 0.000 0.443 1095 C N -0.781 118.508 119.300 -0.018 0.000 2.363 1095 C HA -0.203 4.257 4.460 -0.000 0.000 0.274 1095 C C 2.958 177.906 174.990 -0.070 0.000 1.183 1095 C CA 1.433 60.413 59.018 -0.063 0.000 1.771 1095 C CB -1.239 26.406 27.740 -0.158 0.000 2.059 1095 C HN 0.621 nan 8.230 nan 0.000 0.455 1096 Q N 0.206 119.940 119.800 -0.111 0.000 2.050 1096 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 1096 Q C 2.255 178.251 176.000 -0.007 0.000 0.980 1096 Q CA 2.430 58.188 55.803 -0.074 0.000 0.840 1096 Q CB -1.182 27.535 28.738 -0.035 0.000 0.898 1096 Q HN 0.817 nan 8.270 nan 0.000 0.424 1097 T N 0.851 115.414 114.554 0.015 0.000 2.759 1097 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 1097 T C 2.009 176.724 174.700 0.025 0.000 1.042 1097 T CA 1.076 63.191 62.100 0.026 0.000 1.140 1097 T CB -0.274 68.614 68.868 0.033 0.000 0.864 1097 T HN 0.140 nan 8.240 nan 0.000 0.455 1098 I N 0.350 120.936 120.570 0.028 0.000 2.439 1098 I HA -0.032 4.138 4.170 -0.000 0.000 0.251 1098 I C 2.016 178.164 176.117 0.051 0.000 1.139 1098 I CA 0.893 62.218 61.300 0.043 0.000 1.438 1098 I CB -0.130 37.908 38.000 0.063 0.000 1.085 1098 I HN 0.175 nan 8.210 nan 0.000 0.427 1099 L N -0.018 121.236 121.223 0.051 0.000 2.156 1099 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 1099 L C 2.351 179.230 176.870 0.015 0.000 1.095 1099 L CA 0.971 55.840 54.840 0.048 0.000 0.770 1099 L CB -0.502 41.580 42.059 0.038 0.000 0.914 1099 L HN 0.050 nan 8.230 nan 0.000 0.439 1100 K N 0.413 120.822 120.400 0.014 0.000 2.148 1100 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 1100 K C 2.200 178.813 176.600 0.023 0.000 1.050 1100 K CA 1.148 57.442 56.287 0.012 0.000 0.942 1100 K CB 0.013 32.522 32.500 0.015 0.000 0.724 1100 K HN 0.040 nan 8.250 nan 0.000 0.446 1101 R N -0.426 120.092 120.500 0.030 0.000 2.096 1101 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 1101 R C 1.912 178.266 176.300 0.091 0.000 1.127 1101 R CA 1.476 57.604 56.100 0.047 0.000 0.968 1101 R CB -0.104 30.210 30.300 0.024 0.000 0.861 1101 R HN 0.188 nan 8.270 nan 0.000 0.440 1102 L N -0.359 120.895 121.223 0.052 0.000 2.298 1102 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 1102 L C 2.037 178.918 176.870 0.019 0.000 1.084 1102 L CA 0.236 55.111 54.840 0.058 0.000 0.816 1102 L CB -0.304 41.730 42.059 -0.042 0.000 0.967 1102 L HN 0.112 nan 8.230 nan 0.000 0.460 1103 E N 0.679 120.845 120.200 -0.056 0.000 2.332 1103 E HA -0.303 4.047 4.350 -0.000 0.000 0.243 1103 E C -0.379 176.141 176.600 -0.134 0.000 1.088 1103 E CA 2.549 58.881 56.400 -0.113 0.000 1.048 1103 E CB -1.686 27.971 29.700 -0.071 0.000 0.911 1103 E HN 0.342 nan 8.360 nan 0.000 0.487 1104 P HA -0.158 nan 4.420 nan 0.000 0.218 1104 P C 0.839 177.882 177.300 -0.428 0.000 1.146 1104 P CA 1.456 64.371 63.100 -0.308 0.000 0.813 1104 P CB -0.182 31.237 31.700 -0.468 0.000 0.778 1105 Y N -1.688 118.520 120.300 -0.154 0.000 2.509 1105 Y HA 0.146 4.696 4.550 -0.000 0.000 0.270 1105 Y C 2.251 177.990 175.900 -0.269 0.000 1.103 1105 Y CA 0.220 58.250 58.100 -0.118 0.000 1.278 1105 Y CB -0.592 37.851 38.460 -0.030 0.000 1.087 1105 Y HN -0.185 nan 8.280 nan 0.000 0.542 1106 K N 1.210 121.311 120.400 -0.497 0.000 1.973 1106 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 1106 K C 2.020 178.465 176.600 -0.259 0.000 1.047 1106 K CA 1.595 57.364 56.287 -0.862 0.000 0.937 1106 K CB -0.167 31.800 32.500 -0.889 0.000 0.721 1106 K HN 0.088 nan 8.250 nan 0.000 0.440 1107 K N 1.302 121.584 120.400 -0.196 0.000 2.013 1107 K HA -0.201 4.119 4.320 -0.000 0.000 0.225 1107 K C 1.791 178.362 176.600 -0.047 0.000 1.056 1107 K CA 2.183 58.408 56.287 -0.103 0.000 0.971 1107 K CB -0.142 32.288 32.500 -0.115 0.000 0.731 1107 K HN 0.068 nan 8.250 nan 0.000 0.450 1108 K N -0.177 120.188 120.400 -0.058 0.000 2.589 1108 K HA -0.140 4.180 4.320 -0.000 0.000 0.195 1108 K C 0.198 176.841 176.600 0.072 0.000 1.040 1108 K CA 0.898 57.181 56.287 -0.008 0.000 0.950 1108 K CB -0.217 32.261 32.500 -0.037 0.000 0.781 1108 K HN 0.186 nan 8.250 nan 0.000 0.486 1109 N N -0.768 118.015 118.700 0.138 0.000 2.805 1109 N HA 0.063 4.803 4.740 -0.000 0.000 0.216 1109 N C -2.687 173.016 175.510 0.322 0.000 1.447 1109 N CA -1.146 52.034 53.050 0.217 0.000 0.785 1109 N CB 0.813 39.464 38.487 0.273 0.000 1.458 1109 N HN -0.219 nan 8.380 nan 0.000 0.547 1110 P HA 0.087 nan 4.420 nan 0.000 0.245 1110 P C 0.245 177.730 177.300 0.307 0.000 1.212 1110 P CA 0.546 63.799 63.100 0.255 0.000 0.774 1110 P CB -0.036 31.736 31.700 0.121 0.000 0.999 1111 S N -1.784 114.061 115.700 0.240 0.000 2.624 1111 S HA 0.504 4.974 4.470 -0.000 0.000 0.246 1111 S C 0.687 175.340 174.600 0.089 0.000 1.072 1111 S CA -0.552 57.745 58.200 0.163 0.000 1.045 1111 S CB -0.242 63.019 63.200 0.102 0.000 0.851 1111 S HN 0.092 nan 8.310 nan 0.000 0.480 1112 G N 1.140 109.990 108.800 0.083 0.000 2.471 1112 G HA2 0.570 4.530 3.960 -0.000 0.000 0.332 1112 G HA3 0.570 4.530 3.960 -0.000 0.000 0.332 1112 G C -0.219 174.336 174.900 -0.574 0.000 1.176 1112 G CA -0.706 44.299 45.100 -0.158 0.000 0.949 1112 G HN 0.481 nan 8.290 nan 0.000 0.488 1113 S N 0.064 115.466 115.700 -0.497 0.000 2.569 1113 S HA -0.049 4.421 4.470 -0.000 0.000 0.274 1113 S C 0.920 174.972 174.600 -0.913 0.000 1.353 1113 S CA -0.411 57.477 58.200 -0.520 0.000 1.023 1113 S CB 0.943 64.002 63.200 -0.235 0.000 0.876 1113 S HN 0.810 nan 8.310 nan 0.000 0.540 1114 W N 1.670 122.540 121.300 -0.716 0.000 2.519 1114 W HA -0.037 4.623 4.660 -0.000 0.000 0.266 1114 W C 0.565 176.983 176.519 -0.167 0.000 1.253 1114 W CA 1.093 58.200 57.345 -0.396 0.000 1.274 1114 W CB -0.498 28.930 29.460 -0.054 0.000 1.114 1114 W HN 0.756 nan 8.180 nan 0.000 0.596 1115 E N 0.957 121.111 120.200 -0.076 0.000 2.107 1115 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 1115 E C 1.677 178.179 176.600 -0.164 0.000 0.982 1115 E CA 1.705 58.036 56.400 -0.114 0.000 0.809 1115 E CB -0.649 29.036 29.700 -0.026 0.000 0.756 1115 E HN 0.068 nan 8.360 nan 0.000 0.459 1116 D N -0.368 119.913 120.400 -0.198 0.000 2.104 1116 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 1116 D C 1.526 177.798 176.300 -0.048 0.000 0.994 1116 D CA 0.867 54.779 54.000 -0.147 0.000 0.830 1116 D CB -0.210 40.449 40.800 -0.236 0.000 0.959 1116 D HN 0.279 nan 8.370 nan 0.000 0.452 1117 W N 0.880 122.126 121.300 -0.090 0.000 2.374 1117 W HA -0.068 4.592 4.660 -0.000 0.000 0.288 1117 W C 2.177 178.531 176.519 -0.274 0.000 1.218 1117 W CA 0.202 57.469 57.345 -0.131 0.000 1.245 1117 W CB -1.251 28.150 29.460 -0.098 0.000 1.126 1117 W HN -0.098 nan 8.180 nan 0.000 0.545 1118 V N 0.922 120.727 119.914 -0.181 0.000 2.249 1118 V HA -0.266 3.854 4.120 -0.000 0.000 0.239 1118 V C 2.377 178.388 176.094 -0.138 0.000 1.038 1118 V CA 2.884 65.020 62.300 -0.273 0.000 1.005 1118 V CB -1.542 30.035 31.823 -0.410 0.000 0.646 1118 V HN 0.111 nan 8.190 nan 0.000 0.455 1119 T N 0.414 114.915 114.554 -0.088 0.000 2.883 1119 T HA -0.285 4.065 4.350 -0.000 0.000 0.266 1119 T C 1.710 176.423 174.700 0.023 0.000 1.103 1119 T CA 1.651 63.752 62.100 0.003 0.000 1.125 1119 T CB -0.573 68.302 68.868 0.012 0.000 0.819 1119 T HN 0.555 nan 8.240 nan 0.000 0.536 1120 A N 1.391 124.196 122.820 -0.024 0.000 1.861 1120 A HA 0.585 4.905 4.320 -0.000 0.000 0.212 1120 A C 2.740 180.202 177.584 -0.204 0.000 1.199 1120 A CA 1.053 53.084 52.037 -0.009 0.000 0.613 1120 A CB -1.137 17.927 19.000 0.107 0.000 0.846 1120 A HN 0.573 nan 8.150 nan 0.000 0.446 1121 A N -1.442 121.082 122.820 -0.493 0.000 2.015 1121 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 1121 A C 2.060 179.447 177.584 -0.329 0.000 1.163 1121 A CA 1.632 53.150 52.037 -0.864 0.000 0.646 1121 A CB -0.734 17.783 19.000 -0.805 0.000 0.806 1121 A HN 0.709 nan 8.150 nan 0.000 0.448 1122 Y N 0.735 120.886 120.300 -0.248 0.000 2.070 1122 Y HA -0.203 4.347 4.550 -0.000 0.000 0.279 1122 Y C 2.317 178.162 175.900 -0.090 0.000 1.134 1122 Y CA 2.238 60.256 58.100 -0.136 0.000 1.113 1122 Y CB -0.420 37.982 38.460 -0.096 0.000 0.981 1122 Y HN 0.274 nan 8.280 nan 0.000 0.487 1123 M N -0.343 119.162 119.600 -0.159 0.000 2.374 1123 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 1123 M C 1.400 177.601 176.300 -0.164 0.000 1.067 1123 M CA 1.895 57.045 55.300 -0.250 0.000 1.103 1123 M CB -0.555 31.998 32.600 -0.078 0.000 1.402 1123 M HN 0.273 nan 8.290 nan 0.000 0.444 1124 D N 0.473 120.825 120.400 -0.080 0.000 2.269 1124 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 1124 D C -0.149 176.123 176.300 -0.047 0.000 0.963 1124 D CA 1.014 55.017 54.000 0.004 0.000 0.864 1124 D CB 0.363 41.289 40.800 0.211 0.000 0.936 1124 D HN 0.239 nan 8.370 nan 0.000 0.505 1125 T N -0.636 113.843 114.554 -0.126 0.000 4.515 1125 T HA -0.063 4.287 4.350 -0.000 0.000 0.335 1125 T C -0.771 173.905 174.700 -0.041 0.000 0.771 1125 T CA 0.319 62.357 62.100 -0.103 0.000 2.021 1125 T CB -1.543 67.275 68.868 -0.083 0.000 1.902 1125 T HN 0.018 nan 8.240 nan 0.000 0.999 1126 V N -0.228 119.655 119.914 -0.051 0.000 2.815 1126 V HA 0.831 4.951 4.120 -0.000 0.000 0.314 1126 V C 0.856 176.950 176.094 -0.001 0.000 1.064 1126 V CA -1.049 61.237 62.300 -0.023 0.000 0.952 1126 V CB 2.070 33.863 31.823 -0.051 0.000 1.020 1126 V HN 0.467 nan 8.190 nan 0.000 0.439 1127 S N 1.646 117.353 115.700 0.012 0.000 2.533 1127 S HA 0.337 4.807 4.470 -0.000 0.000 0.282 1127 S C 0.375 174.984 174.600 0.015 0.000 1.304 1127 S CA -0.344 57.872 58.200 0.026 0.000 1.063 1127 S CB -0.077 63.141 63.200 0.029 0.000 0.881 1127 S HN 0.639 nan 8.310 nan 0.000 0.493 1128 L N 4.315 125.552 121.223 0.022 0.000 2.848 1128 L HA 0.300 4.640 4.340 -0.000 0.000 0.240 1128 L C 0.436 177.311 176.870 0.010 0.000 1.232 1128 L CA -0.161 54.676 54.840 -0.006 0.000 1.031 1128 L CB 0.229 42.265 42.059 -0.037 0.000 1.338 1128 L HN 0.574 nan 8.230 nan 0.000 0.509 1129 S N 0.352 116.073 115.700 0.035 0.000 2.619 1129 S HA 0.844 5.314 4.470 -0.000 0.000 0.280 1129 S C -0.968 173.637 174.600 0.008 0.000 1.150 1129 S CA -0.260 57.971 58.200 0.051 0.000 0.978 1129 S CB 1.779 65.086 63.200 0.178 0.000 1.041 1129 S HN 0.160 nan 8.310 nan 0.000 0.485 1130 A N 3.006 125.798 122.820 -0.046 0.000 2.589 1130 A HA 0.776 5.096 4.320 -0.000 0.000 0.296 1130 A C 0.096 177.658 177.584 -0.037 0.000 1.062 1130 A CA -0.608 51.417 52.037 -0.020 0.000 0.686 1130 A CB 0.923 19.926 19.000 0.005 0.000 1.282 1130 A HN 1.083 nan 8.150 nan 0.000 0.404 1131 T N -0.231 114.325 114.554 0.003 0.000 2.667 1131 T HA 0.662 5.012 4.350 -0.000 0.000 0.305 1131 T C 0.599 175.338 174.700 0.066 0.000 1.022 1131 T CA 0.096 62.216 62.100 0.033 0.000 0.995 1131 T CB 0.933 69.840 68.868 0.064 0.000 1.026 1131 T HN 2.223 nan 8.240 nan 0.000 0.527 1132 G N -0.701 108.163 108.800 0.107 0.000 2.473 1132 G HA2 0.476 4.436 3.960 -0.000 0.000 0.298 1132 G HA3 0.476 4.436 3.960 -0.000 0.000 0.298 1132 G C -1.889 173.154 174.900 0.238 0.000 1.575 1132 G CA -0.987 44.211 45.100 0.163 0.000 0.846 1132 G HN 0.751 nan 8.290 nan 0.000 0.585 1133 F N 0.752 120.762 119.950 0.100 0.000 2.675 1133 F HA 0.894 5.421 4.527 -0.000 0.000 0.324 1133 F C -1.350 174.570 175.800 0.201 0.000 1.106 1133 F CA -1.185 56.884 58.000 0.115 0.000 0.970 1133 F CB 2.510 41.552 39.000 0.070 0.000 1.385 1133 F HN 0.745 nan 8.300 nan 0.000 0.489 1134 Y N 2.876 123.606 120.300 0.716 0.000 2.573 1134 Y HA 0.398 4.948 4.550 -0.000 0.000 0.328 1134 Y C -1.835 174.258 175.900 0.322 0.000 1.170 1134 Y CA -1.117 57.229 58.100 0.409 0.000 1.078 1134 Y CB 1.100 39.662 38.460 0.169 0.000 1.341 1134 Y HN 0.723 nan 8.280 nan 0.000 0.459 1135 R N 3.064 123.095 120.500 -0.782 0.000 2.686 1135 R HA 0.688 5.028 4.340 -0.000 0.000 0.283 1135 R C -1.593 174.192 176.300 -0.857 0.000 0.978 1135 R CA -0.774 55.052 56.100 -0.456 0.000 0.897 1135 R CB 1.966 32.171 30.300 -0.159 0.000 1.192 1135 R HN 0.660 nan 8.270 nan 0.000 0.457 1136 T N 4.790 119.051 114.554 -0.489 0.000 2.832 1136 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 1136 T C -2.067 172.489 174.700 -0.239 0.000 0.968 1136 T CA -0.892 60.971 62.100 -0.396 0.000 1.107 1136 T CB 1.052 69.716 68.868 -0.341 0.000 0.916 1136 T HN 0.502 nan 8.240 nan 0.000 0.517 1137 P HA 0.379 nan 4.420 nan 0.000 0.285 1137 P C -0.090 177.221 177.300 0.018 0.000 1.269 1137 P CA -0.643 62.432 63.100 -0.043 0.000 0.844 1137 P CB 0.530 32.236 31.700 0.009 0.000 1.094 1138 N N -1.025 117.685 118.700 0.015 0.000 2.780 1138 N HA -0.136 4.604 4.740 -0.000 0.000 0.248 1138 N C -0.926 174.606 175.510 0.038 0.000 1.102 1138 N CA 0.573 53.645 53.050 0.037 0.000 0.697 1138 N CB -1.474 37.054 38.487 0.067 0.000 1.028 1138 N HN 0.351 nan 8.380 nan 0.000 0.554 1139 L N 0.009 121.236 121.223 0.006 0.000 2.330 1139 L HA 0.813 5.153 4.340 -0.000 0.000 0.271 1139 L C 0.763 177.615 176.870 -0.030 0.000 1.013 1139 L CA 0.295 55.124 54.840 -0.018 0.000 0.816 1139 L CB 1.969 43.998 42.059 -0.050 0.000 1.287 1139 L HN 0.234 nan 8.230 nan 0.000 0.435 1140 G N 1.880 110.655 108.800 -0.042 0.000 2.588 1140 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.239 1140 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.239 1140 G C -1.926 172.987 174.900 0.023 0.000 1.275 1140 G CA -0.815 44.272 45.100 -0.022 0.000 1.181 1140 G HN 0.506 nan 8.290 nan 0.000 0.595 1141 Y N 2.605 122.844 120.300 -0.101 0.000 2.360 1141 Y HA 0.789 5.339 4.550 -0.000 0.000 0.337 1141 Y C 0.211 176.116 175.900 0.007 0.000 1.039 1141 Y CA -0.496 57.559 58.100 -0.077 0.000 1.109 1141 Y CB 2.175 40.531 38.460 -0.173 0.000 1.201 1141 Y HN 0.655 nan 8.280 nan 0.000 0.458 1142 S N 4.641 120.050 115.700 -0.485 0.000 2.509 1142 S HA 0.347 4.817 4.470 -0.000 0.000 0.297 1142 S C 0.122 174.444 174.600 -0.465 0.000 1.118 1142 S CA -0.564 57.473 58.200 -0.272 0.000 1.074 1142 S CB 0.545 63.658 63.200 -0.146 0.000 1.038 1142 S HN 0.775 nan 8.310 nan 0.000 0.498 1143 F N 1.760 121.626 119.950 -0.139 0.000 2.416 1143 F HA 0.191 4.718 4.527 -0.000 0.000 0.296 1143 F C 1.589 177.366 175.800 -0.038 0.000 1.099 1143 F CA 0.497 58.495 58.000 -0.003 0.000 1.427 1143 F CB 0.333 39.379 39.000 0.078 0.000 1.079 1143 F HN 0.626 nan 8.300 nan 0.000 0.536 1144 E N -0.319 119.912 120.200 0.051 0.000 2.884 1144 E HA 0.236 4.586 4.350 -0.000 0.000 0.221 1144 E C 0.379 176.961 176.600 -0.031 0.000 1.137 1144 E CA 0.258 56.672 56.400 0.025 0.000 1.160 1144 E CB 0.498 30.227 29.700 0.049 0.000 1.385 1144 E HN 0.196 nan 8.360 nan 0.000 0.442 1145 T N 0.658 115.168 114.554 -0.072 0.000 4.880 1145 T HA -0.138 4.212 4.350 -0.000 0.000 0.285 1145 T C 0.283 174.893 174.700 -0.150 0.000 1.378 1145 T CA 0.255 62.297 62.100 -0.097 0.000 1.155 1145 T CB -1.242 67.561 68.868 -0.108 0.000 0.810 1145 T HN 0.367 nan 8.240 nan 0.000 0.608 1146 N N 2.118 120.686 118.700 -0.220 0.000 2.704 1146 N HA -0.164 4.576 4.740 -0.000 0.000 0.259 1146 N C -0.218 175.158 175.510 -0.223 0.000 0.957 1146 N CA 1.438 54.337 53.050 -0.253 0.000 0.804 1146 N CB -0.946 37.517 38.487 -0.040 0.000 0.917 1146 N HN 0.989 nan 8.380 nan 0.000 0.545 1147 S N -1.702 113.782 115.700 -0.359 0.000 2.704 1147 S HA 0.874 5.344 4.470 -0.000 0.000 0.296 1147 S C 0.355 174.831 174.600 -0.206 0.000 1.138 1147 S CA 0.347 58.437 58.200 -0.183 0.000 0.875 1147 S CB 2.320 65.454 63.200 -0.110 0.000 1.151 1147 S HN 0.913 nan 8.310 nan 0.000 0.500 1148 G N 0.900 109.672 108.800 -0.046 0.000 2.728 1148 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.294 1148 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.294 1148 G C -0.979 173.983 174.900 0.104 0.000 1.342 1148 G CA -0.481 44.617 45.100 -0.003 0.000 0.866 1148 G HN 1.027 nan 8.290 nan 0.000 0.534 1149 N N 1.427 120.174 118.700 0.078 0.000 2.524 1149 N HA 0.520 5.260 4.740 -0.000 0.000 0.261 1149 N C -1.462 174.013 175.510 -0.059 0.000 0.998 1149 N CA -1.597 51.493 53.050 0.067 0.000 0.915 1149 N CB 2.495 41.018 38.487 0.059 0.000 1.187 1149 N HN 0.357 nan 8.380 nan 0.000 0.507 1150 P HA 0.075 nan 4.420 nan 0.000 0.224 1150 P C -0.402 176.365 177.300 -0.888 0.000 1.159 1150 P CA 0.741 63.432 63.100 -0.682 0.000 0.824 1150 P CB 0.545 31.453 31.700 -1.320 0.000 0.833 1151 F N -1.847 117.890 119.950 -0.356 0.000 2.629 1151 F HA 0.459 4.986 4.527 -0.000 0.000 0.386 1151 F C 2.153 177.799 175.800 -0.256 0.000 1.135 1151 F CA -0.595 57.161 58.000 -0.407 0.000 1.116 1151 F CB 0.273 38.842 39.000 -0.717 0.000 1.426 1151 F HN -0.221 nan 8.300 nan 0.000 0.501 1152 H N -1.662 117.273 119.070 -0.225 0.000 2.735 1152 H HA 0.239 4.795 4.556 -0.000 0.000 0.250 1152 H C -1.189 174.100 175.328 -0.064 0.000 0.948 1152 H CA 0.130 56.090 56.048 -0.148 0.000 1.137 1152 H CB 0.591 30.255 29.762 -0.163 0.000 1.440 1152 H HN 0.437 nan 8.280 nan 0.000 0.444 1153 Y N -2.607 117.598 120.300 -0.158 0.000 2.764 1153 Y HA 0.541 5.091 4.550 -0.000 0.000 0.331 1153 Y C -1.901 173.814 175.900 -0.308 0.000 1.280 1153 Y CA -2.412 55.609 58.100 -0.132 0.000 1.065 1153 Y CB 0.595 39.041 38.460 -0.022 0.000 1.319 1153 Y HN -0.161 nan 8.280 nan 0.000 0.453 1154 F N 0.426 120.523 119.950 0.245 0.000 2.532 1154 F HA 0.642 5.169 4.527 -0.000 0.000 0.321 1154 F C 0.355 176.076 175.800 -0.133 0.000 1.089 1154 F CA -0.954 56.986 58.000 -0.100 0.000 0.926 1154 F CB 2.394 41.127 39.000 -0.446 0.000 1.168 1154 F HN 0.589 nan 8.300 nan 0.000 0.459 1155 S N 1.784 117.509 115.700 0.042 0.000 2.584 1155 S HA 0.633 5.103 4.470 -0.000 0.000 0.273 1155 S C -1.348 173.064 174.600 -0.312 0.000 1.311 1155 S CA -0.125 58.055 58.200 -0.032 0.000 1.034 1155 S CB 0.265 63.510 63.200 0.075 0.000 0.939 1155 S HN 0.441 nan 8.310 nan 0.000 0.513 1156 Y N 0.687 121.026 120.300 0.064 0.000 2.562 1156 Y HA 0.711 5.261 4.550 -0.000 0.000 0.345 1156 Y C 0.629 176.528 175.900 -0.002 0.000 1.045 1156 Y CA -0.568 57.528 58.100 -0.006 0.000 1.028 1156 Y CB 2.402 40.783 38.460 -0.132 0.000 1.297 1156 Y HN 0.948 nan 8.280 nan 0.000 0.463 1157 G N 0.035 108.945 108.800 0.182 0.000 2.451 1157 G HA2 0.584 4.544 3.960 -0.000 0.000 0.292 1157 G HA3 0.584 4.544 3.960 -0.000 0.000 0.292 1157 G C -2.418 172.535 174.900 0.089 0.000 1.427 1157 G CA -0.690 44.471 45.100 0.102 0.000 0.792 1157 G HN 0.568 nan 8.290 nan 0.000 0.498 1158 V N -0.724 119.213 119.914 0.037 0.000 3.077 1158 V HA 0.861 4.981 4.120 -0.000 0.000 0.299 1158 V C -0.428 175.634 176.094 -0.053 0.000 1.276 1158 V CA -0.039 62.267 62.300 0.010 0.000 0.993 1158 V CB 1.838 33.669 31.823 0.013 0.000 1.076 1158 V HN 2.108 nan 8.190 nan 0.000 0.434 1159 A N 2.072 124.854 122.820 -0.064 0.000 2.520 1159 A HA 0.860 5.180 4.320 -0.000 0.000 0.298 1159 A C -1.242 176.317 177.584 -0.042 0.000 1.051 1159 A CA -0.414 51.589 52.037 -0.058 0.000 0.690 1159 A CB 1.898 20.893 19.000 -0.008 0.000 1.281 1159 A HN 1.464 nan 8.150 nan 0.000 0.402 1160 C N 1.948 121.232 119.300 -0.028 0.000 2.505 1160 C HA 0.819 5.279 4.460 -0.000 0.000 0.342 1160 C C -0.635 174.382 174.990 0.045 0.000 1.121 1160 C CA -0.151 58.874 59.018 0.012 0.000 1.306 1160 C CB 0.138 27.870 27.740 -0.013 0.000 1.897 1160 C HN 0.913 nan 8.230 nan 0.000 0.446 1161 S N 4.179 119.927 115.700 0.079 0.000 2.521 1161 S HA 0.553 5.023 4.470 -0.000 0.000 0.295 1161 S C -1.101 173.529 174.600 0.050 0.000 1.098 1161 S CA -0.515 57.730 58.200 0.076 0.000 0.999 1161 S CB 1.794 65.067 63.200 0.121 0.000 1.034 1161 S HN 0.868 nan 8.310 nan 0.000 0.483 1162 E N 1.809 122.021 120.200 0.020 0.000 2.179 1162 E HA 0.638 4.988 4.350 -0.000 0.000 0.275 1162 E C -1.059 175.538 176.600 -0.005 0.000 0.945 1162 E CA -0.812 55.581 56.400 -0.012 0.000 0.792 1162 E CB 1.200 30.873 29.700 -0.044 0.000 1.125 1162 E HN 0.558 nan 8.360 nan 0.000 0.397 1163 V N 0.786 120.696 119.914 -0.006 0.000 2.925 1163 V HA 0.597 4.717 4.120 -0.000 0.000 0.311 1163 V C -0.862 175.225 176.094 -0.012 0.000 1.104 1163 V CA -0.950 61.365 62.300 0.025 0.000 0.954 1163 V CB 1.709 33.571 31.823 0.065 0.000 1.022 1163 V HN 0.802 nan 8.190 nan 0.000 0.427 1164 E N 4.237 124.433 120.200 -0.007 0.000 2.199 1164 E HA 0.643 4.993 4.350 -0.000 0.000 0.265 1164 E C -0.886 175.756 176.600 0.070 0.000 0.882 1164 E CA -0.905 55.481 56.400 -0.024 0.000 0.759 1164 E CB 2.105 31.712 29.700 -0.155 0.000 1.148 1164 E HN 0.929 nan 8.360 nan 0.000 0.412 1165 I N 0.503 121.130 120.570 0.094 0.000 2.664 1165 I HA 0.518 4.688 4.170 -0.000 0.000 0.308 1165 I C -0.356 175.842 176.117 0.135 0.000 0.984 1165 I CA -0.967 60.403 61.300 0.116 0.000 1.213 1165 I CB 1.436 39.482 38.000 0.076 0.000 1.379 1165 I HN 0.415 nan 8.210 nan 0.000 0.501 1166 D N 4.047 124.523 120.400 0.127 0.000 2.392 1166 D HA 0.324 4.964 4.640 -0.000 0.000 0.228 1166 D C 0.292 176.673 176.300 0.135 0.000 1.074 1166 D CA -0.822 53.261 54.000 0.139 0.000 0.838 1166 D CB 1.279 42.143 40.800 0.107 0.000 1.067 1166 D HN 0.741 nan 8.370 nan 0.000 0.511 1167 C N 3.194 122.602 119.300 0.181 0.000 2.693 1167 C HA 0.348 4.808 4.460 -0.000 0.000 0.286 1167 C C 2.105 177.208 174.990 0.187 0.000 1.277 1167 C CA -0.579 58.542 59.018 0.172 0.000 1.705 1167 C CB -1.599 26.253 27.740 0.187 0.000 1.879 1167 C HN 0.608 nan 8.230 nan 0.000 0.607 1168 L N 1.882 123.197 121.223 0.153 0.000 2.168 1168 L HA -0.002 4.338 4.340 -0.000 0.000 0.203 1168 L C 2.971 179.837 176.870 -0.007 0.000 1.078 1168 L CA 2.000 56.872 54.840 0.053 0.000 0.780 1168 L CB -0.383 41.670 42.059 -0.010 0.000 0.939 1168 L HN 0.563 nan 8.230 nan 0.000 0.451 1169 T N -4.591 109.969 114.554 0.009 0.000 3.039 1169 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 1169 T C 1.430 176.198 174.700 0.112 0.000 1.052 1169 T CA 0.757 62.859 62.100 0.005 0.000 1.125 1169 T CB 0.826 69.703 68.868 0.014 0.000 0.908 1169 T HN 0.391 nan 8.240 nan 0.000 0.473 1170 G N 1.178 110.031 108.800 0.089 0.000 2.184 1170 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.206 1170 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.206 1170 G C -0.275 174.673 174.900 0.079 0.000 0.995 1170 G CA 0.026 45.162 45.100 0.060 0.000 0.651 1170 G HN 0.850 nan 8.290 nan 0.000 0.511 1171 D N 1.012 121.469 120.400 0.095 0.000 2.304 1171 D HA 0.561 5.201 4.640 -0.000 0.000 0.247 1171 D C 0.707 177.114 176.300 0.178 0.000 1.089 1171 D CA -0.157 53.903 54.000 0.100 0.000 0.910 1171 D CB 0.456 41.267 40.800 0.018 0.000 1.199 1171 D HN 0.462 nan 8.370 nan 0.000 0.426 1172 H N 0.373 119.430 119.070 -0.022 0.000 2.949 1172 H HA 0.543 5.099 4.556 -0.000 0.000 0.356 1172 H C -1.021 174.290 175.328 -0.028 0.000 1.212 1172 H CA -1.039 54.997 56.048 -0.019 0.000 1.136 1172 H CB 0.703 30.454 29.762 -0.017 0.000 1.869 1172 H HN 0.261 nan 8.280 nan 0.000 0.556 1173 K N 0.397 120.767 120.400 -0.049 0.000 2.166 1173 K HA 0.270 4.590 4.320 -0.000 0.000 0.245 1173 K C -0.409 176.157 176.600 -0.056 0.000 0.967 1173 K CA -0.985 55.235 56.287 -0.111 0.000 0.863 1173 K CB 1.178 33.645 32.500 -0.054 0.000 1.107 1173 K HN 0.487 nan 8.250 nan 0.000 0.436 1174 N N 3.162 121.823 118.700 -0.065 0.000 2.976 1174 N HA 0.148 4.888 4.740 -0.000 0.000 0.255 1174 N C 0.902 176.406 175.510 -0.011 0.000 1.312 1174 N CA 0.025 53.076 53.050 0.002 0.000 0.897 1174 N CB 0.422 38.892 38.487 -0.028 0.000 1.184 1174 N HN 0.468 nan 8.380 nan 0.000 0.497 1175 L N 0.138 121.349 121.223 -0.021 0.000 2.013 1175 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 1175 L C 1.247 178.110 176.870 -0.011 0.000 1.073 1175 L CA 1.323 56.142 54.840 -0.036 0.000 0.753 1175 L CB -0.182 41.827 42.059 -0.084 0.000 0.890 1175 L HN 0.360 nan 8.230 nan 0.000 0.432 1176 R N -1.554 118.944 120.500 -0.003 0.000 2.716 1176 R HA 0.499 4.839 4.340 -0.000 0.000 0.271 1176 R C -1.676 174.635 176.300 0.019 0.000 1.028 1176 R CA -0.526 55.584 56.100 0.016 0.000 0.883 1176 R CB 1.986 32.301 30.300 0.026 0.000 1.250 1176 R HN -0.200 nan 8.270 nan 0.000 0.465 1177 T N 1.637 116.208 114.554 0.027 0.000 3.193 1177 T HA 0.320 4.670 4.350 -0.000 0.000 0.332 1177 T C -2.086 172.635 174.700 0.034 0.000 1.208 1177 T CA -0.679 61.429 62.100 0.013 0.000 1.080 1177 T CB 1.583 70.434 68.868 -0.028 0.000 1.180 1177 T HN 0.634 nan 8.240 nan 0.000 0.469 1178 D N 2.281 122.676 120.400 -0.007 0.000 2.629 1178 D HA 0.632 5.272 4.640 -0.000 0.000 0.250 1178 D C -0.417 175.838 176.300 -0.075 0.000 1.126 1178 D CA -0.444 53.544 54.000 -0.020 0.000 0.852 1178 D CB 1.456 42.246 40.800 -0.016 0.000 1.335 1178 D HN 0.364 nan 8.370 nan 0.000 0.518 1179 I N 1.167 121.683 120.570 -0.090 0.000 2.646 1179 I HA 0.593 4.763 4.170 -0.000 0.000 0.299 1179 I C -0.763 175.311 176.117 -0.073 0.000 1.036 1179 I CA -1.297 59.935 61.300 -0.112 0.000 1.074 1179 I CB 2.163 40.059 38.000 -0.173 0.000 1.258 1179 I HN 0.049 nan 8.210 nan 0.000 0.430 1180 V N 5.435 125.315 119.914 -0.057 0.000 2.524 1180 V HA 0.415 4.535 4.120 -0.000 0.000 0.297 1180 V C -0.635 175.449 176.094 -0.016 0.000 1.035 1180 V CA -0.380 61.899 62.300 -0.034 0.000 0.867 1180 V CB 1.874 33.677 31.823 -0.032 0.000 1.004 1180 V HN 0.612 nan 8.190 nan 0.000 0.426 1181 M N 4.143 123.737 119.600 -0.011 0.000 2.243 1181 M HA 0.499 4.979 4.480 -0.000 0.000 0.324 1181 M C -0.767 175.544 176.300 0.019 0.000 1.031 1181 M CA -0.881 54.422 55.300 0.005 0.000 0.949 1181 M CB 1.434 34.026 32.600 -0.014 0.000 1.615 1181 M HN 0.675 nan 8.290 nan 0.000 0.430 1182 D N 3.411 123.839 120.400 0.047 0.000 2.352 1182 D HA 0.260 4.900 4.640 -0.000 0.000 0.245 1182 D C 0.661 176.988 176.300 0.046 0.000 1.224 1182 D CA -0.139 53.894 54.000 0.055 0.000 0.879 1182 D CB 0.679 41.535 40.800 0.093 0.000 1.057 1182 D HN 0.453 nan 8.370 nan 0.000 0.491 1183 V N 1.788 121.714 119.914 0.020 0.000 3.578 1183 V HA 0.523 4.643 4.120 -0.000 0.000 0.290 1183 V C 1.214 177.301 176.094 -0.011 0.000 1.376 1183 V CA 0.592 62.896 62.300 0.006 0.000 1.083 1183 V CB -0.644 31.176 31.823 -0.006 0.000 0.911 1183 V HN 0.745 nan 8.190 nan 0.000 0.433 1184 G N 1.006 109.799 108.800 -0.011 0.000 2.553 1184 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 1184 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 1184 G C -0.090 174.805 174.900 -0.009 0.000 1.277 1184 G CA -0.080 45.002 45.100 -0.030 0.000 0.910 1184 G HN 0.894 nan 8.290 nan 0.000 0.576 1185 S N 0.576 116.272 115.700 -0.007 0.000 2.592 1185 S HA 0.541 5.011 4.470 -0.000 0.000 0.305 1185 S C 0.616 175.227 174.600 0.017 0.000 1.118 1185 S CA 0.711 58.918 58.200 0.013 0.000 1.075 1185 S CB 0.895 64.107 63.200 0.020 0.000 1.107 1185 S HN 1.460 nan 8.310 nan 0.000 0.503 1186 S N 3.454 119.165 115.700 0.020 0.000 2.593 1186 S HA 0.050 4.520 4.470 -0.000 0.000 0.300 1186 S C 1.344 175.945 174.600 0.001 0.000 1.267 1186 S CA -0.414 57.790 58.200 0.007 0.000 1.065 1186 S CB 0.057 63.258 63.200 0.002 0.000 0.807 1186 S HN 0.698 nan 8.310 nan 0.000 0.499 1187 L N 3.416 124.633 121.223 -0.011 0.000 2.362 1187 L HA 0.040 4.380 4.340 -0.000 0.000 0.219 1187 L C 1.024 177.871 176.870 -0.038 0.000 1.134 1187 L CA 0.736 55.562 54.840 -0.024 0.000 0.807 1187 L CB -0.363 41.681 42.059 -0.024 0.000 0.927 1187 L HN 0.736 nan 8.230 nan 0.000 0.447 1188 N N -1.441 117.235 118.700 -0.040 0.000 3.987 1188 N HA 0.040 4.780 4.740 -0.000 0.000 0.170 1188 N C -2.429 173.012 175.510 -0.115 0.000 1.436 1188 N CA -0.545 52.468 53.050 -0.062 0.000 0.843 1188 N CB 0.915 39.362 38.487 -0.068 0.000 1.734 1188 N HN -0.265 nan 8.380 nan 0.000 0.746 1189 P HA 0.100 nan 4.420 nan 0.000 0.233 1189 P C 1.009 178.035 177.300 -0.456 0.000 1.167 1189 P CA 0.555 63.490 63.100 -0.276 0.000 0.770 1189 P CB 0.395 31.883 31.700 -0.353 0.000 0.837 1190 A N -0.234 122.315 122.820 -0.451 0.000 1.898 1190 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 1190 A C 2.188 179.532 177.584 -0.401 0.000 1.183 1190 A CA 0.949 52.629 52.037 -0.594 0.000 0.622 1190 A CB -1.256 17.242 19.000 -0.836 0.000 0.824 1190 A HN 0.074 nan 8.150 nan 0.000 0.444 1191 I N -0.042 120.381 120.570 -0.245 0.000 2.193 1191 I HA -0.099 4.071 4.170 -0.000 0.000 0.240 1191 I C 0.325 176.360 176.117 -0.136 0.000 1.084 1191 I CA 0.447 61.662 61.300 -0.141 0.000 1.365 1191 I CB -0.533 37.414 38.000 -0.088 0.000 1.064 1191 I HN 0.244 nan 8.210 nan 0.000 0.410 1192 D N 0.772 121.090 120.400 -0.137 0.000 2.362 1192 D HA 0.147 4.787 4.640 -0.000 0.000 0.238 1192 D C 1.310 177.518 176.300 -0.153 0.000 1.212 1192 D CA 0.343 54.274 54.000 -0.116 0.000 0.902 1192 D CB 1.583 42.326 40.800 -0.095 0.000 1.180 1192 D HN 0.179 nan 8.370 nan 0.000 0.445 1193 I N -0.901 119.588 120.570 -0.136 0.000 4.653 1193 I HA -0.385 3.785 4.170 -0.000 0.000 0.046 1193 I C 2.005 178.023 176.117 -0.166 0.000 0.625 1193 I CA 1.561 62.758 61.300 -0.171 0.000 0.818 1193 I CB -1.620 36.234 38.000 -0.244 0.000 0.750 1193 I HN 0.563 nan 8.210 nan 0.000 0.157 1194 G N 0.267 108.966 108.800 -0.168 0.000 2.529 1194 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.219 1194 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.219 1194 G C 1.133 175.982 174.900 -0.086 0.000 1.177 1194 G CA 1.911 46.938 45.100 -0.122 0.000 0.773 1194 G HN 0.524 nan 8.290 nan 0.000 0.573 1195 Q N -0.128 119.622 119.800 -0.083 0.000 2.061 1195 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 1195 Q C 2.830 178.805 176.000 -0.041 0.000 0.984 1195 Q CA 1.397 57.163 55.803 -0.062 0.000 0.846 1195 Q CB -0.678 28.019 28.738 -0.069 0.000 0.902 1195 Q HN 0.296 nan 8.270 nan 0.000 0.421 1196 V N 0.453 120.335 119.914 -0.054 0.000 2.233 1196 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 1196 V C 2.111 178.231 176.094 0.044 0.000 1.050 1196 V CA 2.349 64.635 62.300 -0.024 0.000 1.010 1196 V CB -0.533 31.249 31.823 -0.068 0.000 0.637 1196 V HN 0.450 nan 8.190 nan 0.000 0.444 1197 E N -0.206 119.992 120.200 -0.004 0.000 2.058 1197 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 1197 E C 2.262 178.999 176.600 0.228 0.000 0.997 1197 E CA 1.347 57.807 56.400 0.100 0.000 0.801 1197 E CB -0.672 28.942 29.700 -0.144 0.000 0.746 1197 E HN 0.650 nan 8.360 nan 0.000 0.450 1198 G N 0.961 109.815 108.800 0.089 0.000 2.529 1198 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.219 1198 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.219 1198 G C 1.651 176.622 174.900 0.119 0.000 1.177 1198 G CA 1.350 46.494 45.100 0.073 0.000 0.773 1198 G HN 0.411 nan 8.290 nan 0.000 0.573 1199 A N -0.054 122.839 122.820 0.120 0.000 1.898 1199 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 1199 A C 2.227 179.897 177.584 0.145 0.000 1.181 1199 A CA 1.651 53.758 52.037 0.118 0.000 0.620 1199 A CB -0.546 18.503 19.000 0.082 0.000 0.819 1199 A HN 0.398 nan 8.150 nan 0.000 0.442 1200 F N 0.556 120.543 119.950 0.060 0.000 2.171 1200 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 1200 F C 2.245 178.068 175.800 0.038 0.000 1.090 1200 F CA 1.670 59.712 58.000 0.070 0.000 1.293 1200 F CB -0.225 38.875 39.000 0.167 0.000 1.013 1200 F HN 0.030 nan 8.300 nan 0.000 0.486 1201 V N 0.018 120.027 119.914 0.159 0.000 2.427 1201 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 1201 V C 2.243 178.270 176.094 -0.111 0.000 1.051 1201 V CA 2.118 64.412 62.300 -0.010 0.000 1.048 1201 V CB -0.631 31.242 31.823 0.083 0.000 0.666 1201 V HN 0.376 nan 8.190 nan 0.000 0.456 1202 Q N -0.379 119.386 119.800 -0.059 0.000 2.291 1202 Q HA -0.083 4.257 4.340 -0.000 0.000 0.205 1202 Q C 2.284 178.128 176.000 -0.259 0.000 0.970 1202 Q CA 1.250 56.995 55.803 -0.096 0.000 0.876 1202 Q CB -0.313 28.441 28.738 0.026 0.000 0.935 1202 Q HN 0.738 nan 8.270 nan 0.000 0.455 1203 G N 0.941 109.538 108.800 -0.337 0.000 2.394 1203 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 1203 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 1203 G C 1.313 175.861 174.900 -0.587 0.000 1.165 1203 G CA 0.106 44.855 45.100 -0.586 0.000 0.784 1203 G HN 0.222 nan 8.290 nan 0.000 0.535 1204 L N 1.821 122.758 121.223 -0.476 0.000 2.082 1204 L HA -0.173 4.167 4.340 -0.000 0.000 0.223 1204 L C 2.649 179.398 176.870 -0.202 0.000 1.086 1204 L CA 2.697 57.351 54.840 -0.311 0.000 0.793 1204 L CB -1.308 40.574 42.059 -0.296 0.000 0.896 1204 L HN 0.265 nan 8.230 nan 0.000 0.441 1205 G N -1.106 107.564 108.800 -0.218 0.000 2.404 1205 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.214 1205 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.214 1205 G C 1.579 176.356 174.900 -0.205 0.000 1.189 1205 G CA 0.663 45.661 45.100 -0.169 0.000 0.789 1205 G HN 0.437 nan 8.290 nan 0.000 0.533 1206 L N -0.219 120.805 121.223 -0.332 0.000 2.081 1206 L HA 0.090 4.430 4.340 -0.000 0.000 0.212 1206 L C 2.226 178.980 176.870 -0.193 0.000 1.080 1206 L CA 1.690 56.310 54.840 -0.367 0.000 0.754 1206 L CB -0.509 41.181 42.059 -0.615 0.000 0.893 1206 L HN 0.308 nan 8.230 nan 0.000 0.433 1207 F N -1.609 118.223 119.950 -0.197 0.000 2.746 1207 F HA 0.084 4.611 4.527 -0.000 0.000 0.297 1207 F C 1.621 177.334 175.800 -0.145 0.000 1.113 1207 F CA 0.358 58.209 58.000 -0.248 0.000 1.367 1207 F CB 0.017 38.833 39.000 -0.306 0.000 1.111 1207 F HN 0.300 nan 8.300 nan 0.000 0.590 1208 T N -4.272 110.324 114.554 0.070 0.000 3.080 1208 T HA 0.208 4.558 4.350 -0.000 0.000 0.280 1208 T C 0.664 175.387 174.700 0.039 0.000 0.926 1208 T CA 0.049 62.192 62.100 0.071 0.000 0.883 1208 T CB 0.372 69.303 68.868 0.105 0.000 1.194 1208 T HN 0.085 nan 8.240 nan 0.000 0.541 1209 L N 0.394 121.603 121.223 -0.022 0.000 3.048 1209 L HA 0.521 4.861 4.340 -0.000 0.000 0.278 1209 L C -0.374 176.408 176.870 -0.147 0.000 1.057 1209 L CA 0.398 55.203 54.840 -0.059 0.000 1.073 1209 L CB 0.763 42.783 42.059 -0.065 0.000 1.802 1209 L HN 0.232 nan 8.230 nan 0.000 0.562 1210 E N 1.419 121.505 120.200 -0.190 0.000 2.152 1210 E HA 0.291 4.641 4.350 -0.000 0.000 0.285 1210 E C -0.566 175.941 176.600 -0.156 0.000 1.043 1210 E CA -0.019 56.185 56.400 -0.327 0.000 0.839 1210 E CB 1.194 30.689 29.700 -0.341 0.000 1.069 1210 E HN 0.080 nan 8.360 nan 0.000 0.399 1211 E N 3.161 123.290 120.200 -0.119 0.000 2.176 1211 E HA 0.267 4.617 4.350 -0.000 0.000 0.267 1211 E C -1.367 175.368 176.600 0.225 0.000 0.893 1211 E CA -0.838 55.601 56.400 0.065 0.000 0.761 1211 E CB 0.886 30.656 29.700 0.117 0.000 1.133 1211 E HN 0.185 nan 8.360 nan 0.000 0.409 1212 L N 3.770 125.138 121.223 0.240 0.000 2.325 1212 L HA 0.389 4.729 4.340 -0.000 0.000 0.279 1212 L C -0.845 176.148 176.870 0.205 0.000 1.054 1212 L CA -0.368 54.635 54.840 0.272 0.000 0.804 1212 L CB 1.065 43.305 42.059 0.301 0.000 1.200 1212 L HN 0.633 nan 8.230 nan 0.000 0.436 1213 H N 2.678 121.756 119.070 0.013 0.000 2.489 1213 H HA 0.564 5.120 4.556 -0.000 0.000 0.343 1213 H C -1.265 173.967 175.328 -0.160 0.000 1.086 1213 H CA -0.253 55.808 56.048 0.023 0.000 1.198 1213 H CB 1.181 30.922 29.762 -0.036 0.000 1.490 1213 H HN 0.321 nan 8.280 nan 0.000 0.504 1214 Y N 0.517 120.816 120.300 -0.003 0.000 2.393 1214 Y HA 0.241 4.791 4.550 -0.000 0.000 0.341 1214 Y C 0.427 176.151 175.900 -0.294 0.000 0.988 1214 Y CA -1.240 56.772 58.100 -0.148 0.000 1.078 1214 Y CB 1.533 39.935 38.460 -0.096 0.000 1.203 1214 Y HN 0.678 nan 8.280 nan 0.000 0.453 1215 S N 4.002 119.416 115.700 -0.477 0.000 2.553 1215 S HA -0.039 4.431 4.470 -0.000 0.000 0.293 1215 S C -1.570 172.947 174.600 -0.137 0.000 1.296 1215 S CA -0.760 57.201 58.200 -0.399 0.000 1.046 1215 S CB 0.689 63.599 63.200 -0.483 0.000 0.810 1215 S HN 0.585 nan 8.310 nan 0.000 0.505 1216 P HA -0.145 nan 4.420 nan 0.000 0.219 1216 P C 1.169 178.451 177.300 -0.030 0.000 1.146 1216 P CA 1.398 64.481 63.100 -0.029 0.000 0.808 1216 P CB -0.109 31.593 31.700 0.003 0.000 0.779 1217 E N -0.332 119.846 120.200 -0.036 0.000 2.474 1217 E HA 0.083 4.433 4.350 -0.000 0.000 0.194 1217 E C 1.114 177.695 176.600 -0.032 0.000 1.041 1217 E CA 0.932 57.314 56.400 -0.030 0.000 0.874 1217 E CB -0.721 28.967 29.700 -0.020 0.000 0.914 1217 E HN 0.258 nan 8.360 nan 0.000 0.498 1218 G N 0.918 109.695 108.800 -0.039 0.000 2.145 1218 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.145 1218 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.145 1218 G C -0.075 174.854 174.900 0.048 0.000 1.017 1218 G CA 0.181 45.283 45.100 0.003 0.000 0.682 1218 G HN 0.384 nan 8.290 nan 0.000 0.504 1219 S N -0.179 115.507 115.700 -0.023 0.000 2.525 1219 S HA 0.669 5.139 4.470 -0.000 0.000 0.278 1219 S C 0.501 175.053 174.600 -0.080 0.000 1.234 1219 S CA -0.418 57.761 58.200 -0.036 0.000 1.058 1219 S CB 1.005 64.146 63.200 -0.098 0.000 0.983 1219 S HN 1.482 nan 8.310 nan 0.000 0.495 1220 L N 5.352 126.534 121.223 -0.068 0.000 2.410 1220 L HA 0.358 4.698 4.340 -0.000 0.000 0.273 1220 L C 0.720 177.484 176.870 -0.177 0.000 1.152 1220 L CA 0.493 55.111 54.840 -0.371 0.000 0.855 1220 L CB 0.465 42.294 42.059 -0.383 0.000 1.129 1220 L HN 0.808 nan 8.230 nan 0.000 0.463 1221 H N 2.078 120.995 119.070 -0.255 0.000 2.595 1221 H HA 0.164 4.720 4.556 -0.000 0.000 0.265 1221 H C 0.061 175.369 175.328 -0.033 0.000 0.953 1221 H CA 0.840 56.809 56.048 -0.131 0.000 1.197 1221 H CB 0.459 30.069 29.762 -0.253 0.000 1.438 1221 H HN 0.693 nan 8.280 nan 0.000 0.531 1222 T N 0.832 115.431 114.554 0.076 0.000 2.963 1222 T HA 0.378 4.728 4.350 -0.000 0.000 0.343 1222 T C 0.165 174.935 174.700 0.117 0.000 1.146 1222 T CA -0.711 61.461 62.100 0.121 0.000 1.016 1222 T CB 0.055 69.032 68.868 0.181 0.000 1.046 1222 T HN 0.302 nan 8.240 nan 0.000 0.496 1223 R N 3.051 123.642 120.500 0.152 0.000 2.659 1223 R HA 0.539 4.879 4.340 -0.000 0.000 0.418 1223 R C 0.611 177.032 176.300 0.202 0.000 1.076 1223 R CA -0.879 55.309 56.100 0.147 0.000 1.093 1223 R CB 1.146 31.528 30.300 0.137 0.000 1.400 1223 R HN 0.647 nan 8.270 nan 0.000 0.583 1224 G N 0.596 109.548 108.800 0.254 0.000 2.466 1224 G HA2 0.151 4.111 3.960 -0.000 0.000 0.291 1224 G HA3 0.151 4.111 3.960 -0.000 0.000 0.291 1224 G C -2.595 172.529 174.900 0.373 0.000 1.460 1224 G CA -0.962 44.318 45.100 0.301 0.000 0.791 1224 G HN -0.273 nan 8.290 nan 0.000 0.505 1225 P HA -0.164 nan 4.420 nan 0.000 0.224 1225 P C 1.764 179.174 177.300 0.182 0.000 1.142 1225 P CA 2.028 65.323 63.100 0.325 0.000 0.778 1225 P CB 0.249 32.123 31.700 0.289 0.000 0.764 1226 S N -0.214 115.587 115.700 0.169 0.000 2.356 1226 S HA -0.079 4.391 4.470 -0.000 0.000 0.219 1226 S C 1.997 176.662 174.600 0.108 0.000 1.036 1226 S CA 1.790 60.050 58.200 0.101 0.000 0.965 1226 S CB -1.550 61.684 63.200 0.057 0.000 0.864 1226 S HN 0.276 nan 8.310 nan 0.000 0.471 1227 T N -2.550 112.094 114.554 0.150 0.000 3.044 1227 T HA 0.190 4.540 4.350 -0.000 0.000 0.255 1227 T C 0.498 175.324 174.700 0.210 0.000 1.073 1227 T CA 0.030 62.223 62.100 0.154 0.000 1.125 1227 T CB -0.633 68.323 68.868 0.147 0.000 0.908 1227 T HN 0.428 nan 8.240 nan 0.000 0.480 1228 Y N 2.982 123.368 120.300 0.143 0.000 2.425 1228 Y HA 0.411 4.961 4.550 -0.000 0.000 0.347 1228 Y C -0.291 175.659 175.900 0.083 0.000 0.976 1228 Y CA -1.237 56.949 58.100 0.144 0.000 1.190 1228 Y CB 0.564 39.153 38.460 0.216 0.000 1.136 1228 Y HN -0.143 nan 8.280 nan 0.000 0.517 1229 K N 9.446 129.699 120.400 -0.245 0.000 2.231 1229 K HA 0.205 4.525 4.320 -0.000 0.000 0.255 1229 K C 0.060 176.508 176.600 -0.254 0.000 1.108 1229 K CA -0.276 55.906 56.287 -0.175 0.000 0.997 1229 K CB 0.231 32.673 32.500 -0.097 0.000 1.549 1229 K HN 0.776 nan 8.250 nan 0.000 0.419 1230 I N -0.053 120.382 120.570 -0.224 0.000 3.004 1230 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 1230 I C -2.163 173.903 176.117 -0.085 0.000 1.144 1230 I CA -1.906 59.293 61.300 -0.168 0.000 1.353 1230 I CB 0.430 38.320 38.000 -0.183 0.000 1.417 1230 I HN 0.139 nan 8.210 nan 0.000 0.602 1231 P HA 0.340 nan 4.420 nan 0.000 0.284 1231 P C -0.816 176.574 177.300 0.150 0.000 1.253 1231 P CA -0.266 62.853 63.100 0.032 0.000 0.800 1231 P CB 1.523 33.236 31.700 0.021 0.000 0.961 1232 A N 2.240 125.116 122.820 0.093 0.000 2.420 1232 A HA 0.512 4.832 4.320 -0.000 0.000 0.291 1232 A C 0.882 178.265 177.584 -0.334 0.000 1.228 1232 A CA -0.546 51.490 52.037 -0.001 0.000 0.933 1232 A CB -0.355 18.682 19.000 0.061 0.000 1.428 1232 A HN 0.387 nan 8.150 nan 0.000 0.493 1233 F N 0.348 119.834 119.950 -0.773 0.000 2.075 1233 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 1233 F C 2.646 178.281 175.800 -0.274 0.000 1.113 1233 F CA 2.407 59.894 58.000 -0.854 0.000 1.218 1233 F CB -0.570 38.160 39.000 -0.450 0.000 0.984 1233 F HN 0.623 nan 8.300 nan 0.000 0.472 1234 G N -1.719 107.152 108.800 0.118 0.000 2.564 1234 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 1234 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 1234 G C 1.565 176.499 174.900 0.057 0.000 1.120 1234 G CA 1.322 46.492 45.100 0.118 0.000 0.752 1234 G HN 0.381 nan 8.290 nan 0.000 0.558 1235 S N -0.366 115.348 115.700 0.023 0.000 2.505 1235 S HA 0.207 4.676 4.470 -0.000 0.000 0.216 1235 S C 0.835 175.433 174.600 -0.004 0.000 1.018 1235 S CA -0.492 57.703 58.200 -0.007 0.000 0.911 1235 S CB 0.175 63.373 63.200 -0.003 0.000 0.818 1235 S HN 0.479 nan 8.310 nan 0.000 0.497 1236 I N 1.978 122.577 120.570 0.048 0.000 2.892 1236 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 1236 I C -2.301 173.797 176.117 -0.031 0.000 1.205 1236 I CA -2.228 59.090 61.300 0.029 0.000 1.409 1236 I CB -0.813 37.290 38.000 0.172 0.000 1.367 1236 I HN -0.096 nan 8.210 nan 0.000 0.597 1237 P HA -0.024 nan 4.420 nan 0.000 0.266 1237 P C 0.706 178.012 177.300 0.011 0.000 1.186 1237 P CA 0.070 63.098 63.100 -0.119 0.000 0.767 1237 P CB 0.637 32.159 31.700 -0.295 0.000 0.820 1238 I N 1.059 121.648 120.570 0.032 0.000 2.193 1238 I HA -0.097 4.073 4.170 -0.000 0.000 0.240 1238 I C 1.268 177.450 176.117 0.108 0.000 1.084 1238 I CA 1.617 62.961 61.300 0.072 0.000 1.365 1238 I CB -1.080 36.949 38.000 0.048 0.000 1.064 1238 I HN 0.462 nan 8.210 nan 0.000 0.410 1239 E N 1.021 121.281 120.200 0.099 0.000 2.183 1239 E HA 0.392 4.742 4.350 -0.000 0.000 0.271 1239 E C -1.169 175.551 176.600 0.200 0.000 0.919 1239 E CA -0.517 55.970 56.400 0.144 0.000 0.781 1239 E CB 2.263 32.031 29.700 0.112 0.000 1.140 1239 E HN 0.152 nan 8.360 nan 0.000 0.402 1240 F N 2.784 122.757 119.950 0.039 0.000 2.564 1240 F HA 0.347 4.874 4.527 -0.000 0.000 0.368 1240 F C -0.401 175.394 175.800 -0.009 0.000 1.127 1240 F CA -1.053 56.959 58.000 0.020 0.000 1.170 1240 F CB 0.899 39.928 39.000 0.049 0.000 1.397 1240 F HN 0.363 nan 8.300 nan 0.000 0.493 1241 R N 4.486 125.125 120.500 0.232 0.000 2.207 1241 R HA 0.533 4.873 4.340 -0.000 0.000 0.334 1241 R C -1.327 174.968 176.300 -0.008 0.000 1.013 1241 R CA -0.325 55.815 56.100 0.067 0.000 0.858 1241 R CB 1.515 31.851 30.300 0.059 0.000 1.094 1241 R HN 0.387 nan 8.270 nan 0.000 0.457 1242 V N 3.211 123.065 119.914 -0.099 0.000 2.581 1242 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 1242 V C -0.736 175.320 176.094 -0.064 0.000 1.041 1242 V CA -0.410 61.819 62.300 -0.118 0.000 0.907 1242 V CB 2.100 33.798 31.823 -0.208 0.000 0.994 1242 V HN 0.954 nan 8.190 nan 0.000 0.442 1243 S N 4.953 120.626 115.700 -0.045 0.000 2.603 1243 S HA 0.613 5.083 4.470 -0.000 0.000 0.274 1243 S C -1.117 173.481 174.600 -0.004 0.000 1.168 1243 S CA -0.744 57.452 58.200 -0.007 0.000 0.963 1243 S CB 1.165 64.365 63.200 0.000 0.000 1.078 1243 S HN 0.455 nan 8.310 nan 0.000 0.477 1244 L N 2.799 124.036 121.223 0.024 0.000 2.326 1244 L HA 0.436 4.776 4.340 -0.000 0.000 0.278 1244 L C -0.299 176.589 176.870 0.030 0.000 1.092 1244 L CA -0.939 53.917 54.840 0.027 0.000 0.810 1244 L CB 1.138 43.233 42.059 0.060 0.000 1.153 1244 L HN 0.648 nan 8.230 nan 0.000 0.439 1245 L N 4.897 126.131 121.223 0.018 0.000 2.331 1245 L HA 0.278 4.618 4.340 -0.000 0.000 0.278 1245 L C 0.286 177.164 176.870 0.014 0.000 1.106 1245 L CA 0.121 54.968 54.840 0.012 0.000 0.824 1245 L CB 0.594 42.657 42.059 0.007 0.000 1.142 1245 L HN 0.520 nan 8.230 nan 0.000 0.443 1246 R N 3.126 123.630 120.500 0.008 0.000 2.528 1246 R HA 0.369 4.709 4.340 -0.000 0.000 0.271 1246 R C -0.723 175.575 176.300 -0.002 0.000 1.056 1246 R CA -0.823 55.278 56.100 0.002 0.000 1.117 1246 R CB 0.234 30.529 30.300 -0.008 0.000 1.085 1246 R HN 0.634 nan 8.270 nan 0.000 0.530 1247 D N 0.566 120.964 120.400 -0.004 0.000 3.142 1247 D HA -0.149 4.491 4.640 -0.000 0.000 0.221 1247 D C -0.492 175.806 176.300 -0.003 0.000 1.193 1247 D CA 1.083 55.081 54.000 -0.004 0.000 0.900 1247 D CB -0.717 40.080 40.800 -0.006 0.000 0.886 1247 D HN 0.853 nan 8.370 nan 0.000 0.399 1248 C N -0.195 119.103 119.300 -0.003 0.000 3.079 1248 C HA 0.377 4.837 4.460 -0.000 0.000 0.246 1248 C C -2.712 172.270 174.990 -0.013 0.000 1.025 1248 C CA -1.625 57.389 59.018 -0.007 0.000 1.081 1248 C CB 0.160 27.895 27.740 -0.008 0.000 1.757 1248 C HN 0.110 nan 8.230 nan 0.000 0.646 1249 P HA 0.305 nan 4.420 nan 0.000 0.279 1249 P C -0.535 176.744 177.300 -0.036 0.000 1.239 1249 P CA 0.335 63.423 63.100 -0.019 0.000 0.789 1249 P CB 0.723 32.420 31.700 -0.006 0.000 0.933 1250 N N 1.987 120.646 118.700 -0.068 0.000 2.546 1250 N HA 0.091 4.831 4.740 -0.000 0.000 0.238 1250 N C 0.632 176.084 175.510 -0.096 0.000 0.984 1250 N CA -0.607 52.372 53.050 -0.119 0.000 0.935 1250 N CB 0.620 38.958 38.487 -0.249 0.000 1.122 1250 N HN 0.235 nan 8.380 nan 0.000 0.510 1251 K N 1.881 122.248 120.400 -0.054 0.000 2.525 1251 K HA 0.107 4.427 4.320 -0.000 0.000 0.192 1251 K C 0.473 177.069 176.600 -0.006 0.000 1.029 1251 K CA 0.625 56.894 56.287 -0.030 0.000 1.029 1251 K CB 0.280 32.771 32.500 -0.015 0.000 0.814 1251 K HN 0.303 nan 8.250 nan 0.000 0.503 1252 K N 0.746 121.147 120.400 0.002 0.000 2.404 1252 K HA 0.213 4.533 4.320 -0.000 0.000 0.194 1252 K C -0.255 176.494 176.600 0.248 0.000 1.023 1252 K CA 0.052 56.413 56.287 0.123 0.000 1.094 1252 K CB 0.833 33.370 32.500 0.061 0.000 0.841 1252 K HN 0.263 nan 8.250 nan 0.000 0.523 1253 A N 1.101 123.975 122.820 0.089 0.000 2.547 1253 A HA 0.336 4.656 4.320 -0.000 0.000 0.297 1253 A C -0.587 176.989 177.584 -0.013 0.000 1.056 1253 A CA -0.875 51.226 52.037 0.107 0.000 0.688 1253 A CB 0.808 19.909 19.000 0.168 0.000 1.282 1253 A HN 0.259 nan 8.150 nan 0.000 0.400 1254 I N 1.849 122.386 120.570 -0.055 0.000 3.325 1254 I HA -0.219 3.951 4.170 -0.000 0.000 0.354 1254 I C 0.186 176.323 176.117 0.033 0.000 1.171 1254 I CA 1.298 62.545 61.300 -0.087 0.000 1.515 1254 I CB -0.048 37.928 38.000 -0.040 0.000 1.267 1254 I HN 0.755 nan 8.210 nan 0.000 0.496 1255 Y N 5.594 125.858 120.300 -0.060 0.000 2.909 1255 Y HA -0.253 4.297 4.550 -0.000 0.000 0.221 1255 Y C 1.308 177.188 175.900 -0.033 0.000 1.093 1255 Y CA 0.948 59.030 58.100 -0.031 0.000 1.007 1255 Y CB -1.611 36.849 38.460 -0.001 0.000 1.142 1255 Y HN 0.871 nan 8.280 nan 0.000 0.545 1256 A N -0.990 121.851 122.820 0.035 0.000 2.945 1256 A HA -0.171 4.149 4.320 -0.000 0.000 0.251 1256 A C 0.856 178.426 177.584 -0.022 0.000 1.355 1256 A CA 0.776 52.812 52.037 -0.001 0.000 0.905 1256 A CB -1.872 17.141 19.000 0.022 0.000 1.104 1256 A HN 1.318 nan 8.150 nan 0.000 0.733 1257 S N -0.982 114.707 115.700 -0.020 0.000 2.549 1257 S HA 0.778 5.248 4.470 -0.000 0.000 0.297 1257 S C -0.329 174.213 174.600 -0.095 0.000 1.115 1257 S CA -0.512 57.671 58.200 -0.029 0.000 1.059 1257 S CB 1.865 65.076 63.200 0.018 0.000 1.046 1257 S HN 0.484 nan 8.310 nan 0.000 0.506 1258 K N 0.758 121.102 120.400 -0.093 0.000 2.139 1258 K HA 0.694 5.014 4.320 -0.000 0.000 0.243 1258 K C 0.222 176.867 176.600 0.075 0.000 0.983 1258 K CA -0.797 55.425 56.287 -0.108 0.000 0.890 1258 K CB 1.509 33.939 32.500 -0.117 0.000 1.090 1258 K HN 0.859 nan 8.250 nan 0.000 0.445 1259 A N 0.724 123.691 122.820 0.245 0.000 2.406 1259 A HA 0.148 4.468 4.320 -0.000 0.000 0.243 1259 A C 0.538 178.162 177.584 0.067 0.000 1.082 1259 A CA -0.156 51.981 52.037 0.168 0.000 0.786 1259 A CB 0.708 19.830 19.000 0.203 0.000 1.029 1259 A HN 0.526 nan 8.150 nan 0.000 0.495 1260 V N 1.525 121.441 119.914 0.003 0.000 3.359 1260 V HA 0.216 4.336 4.120 -0.000 0.000 0.270 1260 V C 1.922 177.960 176.094 -0.093 0.000 1.583 1260 V CA 1.379 63.652 62.300 -0.044 0.000 1.019 1260 V CB -0.480 31.320 31.823 -0.039 0.000 0.831 1260 V HN 1.315 nan 8.190 nan 0.000 0.426 1261 G N 1.230 109.973 108.800 -0.096 0.000 2.830 1261 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.230 1261 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.230 1261 G C 1.108 175.903 174.900 -0.176 0.000 1.172 1261 G CA 2.103 47.130 45.100 -0.123 0.000 0.764 1261 G HN 0.647 nan 8.290 nan 0.000 0.640 1262 E N -0.073 119.922 120.200 -0.341 0.000 2.367 1262 E HA 0.048 4.398 4.350 -0.000 0.000 0.204 1262 E C -0.359 175.845 176.600 -0.660 0.000 0.840 1262 E CA -0.080 56.033 56.400 -0.480 0.000 1.051 1262 E CB -0.270 29.047 29.700 -0.638 0.000 1.051 1262 E HN 0.287 nan 8.360 nan 0.000 0.509 1263 P HA -0.176 nan 4.420 nan 0.000 0.218 1263 P C -1.585 175.609 177.300 -0.176 0.000 1.154 1263 P CA 2.144 64.841 63.100 -0.671 0.000 0.872 1263 P CB -0.870 30.641 31.700 -0.314 0.000 0.790 1264 P HA -0.058 nan 4.420 nan 0.000 0.233 1264 P C 1.636 179.023 177.300 0.144 0.000 1.167 1264 P CA 0.803 63.935 63.100 0.054 0.000 0.770 1264 P CB -0.361 31.363 31.700 0.040 0.000 0.837 1265 L N -1.077 120.196 121.223 0.084 0.000 2.083 1265 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 1265 L C 2.424 179.383 176.870 0.148 0.000 1.083 1265 L CA 1.407 56.300 54.840 0.088 0.000 0.752 1265 L CB -0.729 41.346 42.059 0.026 0.000 0.899 1265 L HN -0.151 nan 8.230 nan 0.000 0.433 1266 F N 0.291 120.284 119.950 0.071 0.000 2.202 1266 F HA -0.241 4.286 4.527 -0.000 0.000 0.301 1266 F C 1.977 177.939 175.800 0.270 0.000 1.082 1266 F CA 1.094 59.200 58.000 0.178 0.000 1.313 1266 F CB -0.000 39.110 39.000 0.184 0.000 1.024 1266 F HN 0.008 nan 8.300 nan 0.000 0.495 1267 L N 0.394 121.639 121.223 0.037 0.000 2.556 1267 L HA -0.258 4.082 4.340 -0.000 0.000 0.230 1267 L C 2.642 179.679 176.870 0.278 0.000 1.163 1267 L CA 0.670 55.548 54.840 0.063 0.000 0.819 1267 L CB -1.286 40.898 42.059 0.209 0.000 0.939 1267 L HN 0.310 nan 8.230 nan 0.000 0.452 1268 A N 0.377 123.269 122.820 0.120 0.000 1.969 1268 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 1268 A C 2.656 180.364 177.584 0.206 0.000 1.169 1268 A CA 1.382 53.344 52.037 -0.125 0.000 0.635 1268 A CB -0.451 18.306 19.000 -0.405 0.000 0.810 1268 A HN 0.406 nan 8.150 nan 0.000 0.445 1269 A N 0.861 123.877 122.820 0.326 0.000 1.942 1269 A HA -0.383 3.937 4.320 -0.000 0.000 0.227 1269 A C 2.505 180.244 177.584 0.259 0.000 1.445 1269 A CA 3.471 55.593 52.037 0.142 0.000 0.704 1269 A CB -1.603 17.320 19.000 -0.127 0.000 0.841 1269 A HN 1.278 nan 8.150 nan 0.000 0.495 1270 S N 0.035 115.854 115.700 0.198 0.000 2.380 1270 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 1270 S C 1.815 176.537 174.600 0.203 0.000 1.043 1270 S CA 1.725 60.060 58.200 0.226 0.000 1.038 1270 S CB -0.883 62.425 63.200 0.181 0.000 0.872 1270 S HN 0.565 nan 8.310 nan 0.000 0.456 1271 I N 0.099 120.770 120.570 0.169 0.000 2.315 1271 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 1271 I C 2.361 178.528 176.117 0.083 0.000 1.117 1271 I CA 1.390 62.757 61.300 0.112 0.000 1.404 1271 I CB -0.462 37.587 38.000 0.081 0.000 1.071 1271 I HN 0.241 nan 8.210 nan 0.000 0.419 1272 F N 1.601 121.476 119.950 -0.124 0.000 2.134 1272 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 1272 F C 2.068 177.587 175.800 -0.469 0.000 1.097 1272 F CA 1.642 59.430 58.000 -0.353 0.000 1.264 1272 F CB -0.443 38.194 39.000 -0.604 0.000 1.001 1272 F HN -0.111 nan 8.300 nan 0.000 0.479 1273 F N -0.139 119.813 119.950 0.003 0.000 2.325 1273 F HA 0.020 4.547 4.527 -0.000 0.000 0.299 1273 F C 2.433 178.170 175.800 -0.105 0.000 1.090 1273 F CA 0.849 58.779 58.000 -0.118 0.000 1.392 1273 F CB -0.940 38.055 39.000 -0.007 0.000 1.053 1273 F HN 0.036 nan 8.300 nan 0.000 0.521 1274 A N -0.148 122.710 122.820 0.062 0.000 2.016 1274 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 1274 A C 2.170 179.732 177.584 -0.037 0.000 1.162 1274 A CA 0.963 53.026 52.037 0.042 0.000 0.662 1274 A CB -0.728 18.308 19.000 0.060 0.000 0.812 1274 A HN 0.394 nan 8.150 nan 0.000 0.450 1275 I N -0.958 119.533 120.570 -0.133 0.000 2.333 1275 I HA -0.151 4.019 4.170 -0.000 0.000 0.246 1275 I C 2.451 178.454 176.117 -0.190 0.000 1.106 1275 I CA 1.054 62.237 61.300 -0.196 0.000 1.411 1275 I CB -0.127 37.694 38.000 -0.298 0.000 1.082 1275 I HN 0.277 nan 8.210 nan 0.000 0.420 1276 K N 0.626 120.850 120.400 -0.294 0.000 2.209 1276 K HA -0.240 4.080 4.320 -0.000 0.000 0.204 1276 K C 1.471 178.079 176.600 0.015 0.000 1.048 1276 K CA 1.645 57.822 56.287 -0.183 0.000 0.940 1276 K CB -0.011 32.280 32.500 -0.349 0.000 0.729 1276 K HN 0.207 nan 8.250 nan 0.000 0.451 1277 D N -0.208 120.200 120.400 0.012 0.000 2.097 1277 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 1277 D C 1.615 177.953 176.300 0.063 0.000 0.984 1277 D CA 1.289 55.325 54.000 0.059 0.000 0.826 1277 D CB 0.059 40.893 40.800 0.057 0.000 0.973 1277 D HN 0.259 nan 8.370 nan 0.000 0.460 1278 A N 0.306 123.146 122.820 0.034 0.000 1.968 1278 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 1278 A C 2.239 179.853 177.584 0.049 0.000 1.169 1278 A CA 0.562 52.625 52.037 0.043 0.000 0.638 1278 A CB -0.590 18.429 19.000 0.032 0.000 0.812 1278 A HN 0.242 nan 8.150 nan 0.000 0.446 1279 I N -0.577 120.025 120.570 0.052 0.000 2.194 1279 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 1279 I C 2.698 178.853 176.117 0.064 0.000 1.093 1279 I CA 1.410 62.743 61.300 0.055 0.000 1.355 1279 I CB -0.723 37.345 38.000 0.113 0.000 1.046 1279 I HN 0.377 nan 8.210 nan 0.000 0.413 1280 R N 0.998 121.611 120.500 0.187 0.000 2.132 1280 R HA -0.226 4.114 4.340 -0.000 0.000 0.233 1280 R C 2.371 178.705 176.300 0.056 0.000 1.125 1280 R CA 1.948 58.144 56.100 0.161 0.000 0.914 1280 R CB -0.989 29.405 30.300 0.158 0.000 0.845 1280 R HN 0.401 nan 8.270 nan 0.000 0.431 1281 A N 0.791 123.641 122.820 0.050 0.000 2.054 1281 A HA -0.211 4.109 4.320 -0.000 0.000 0.223 1281 A C 2.257 179.828 177.584 -0.022 0.000 1.169 1281 A CA 2.218 54.264 52.037 0.016 0.000 0.655 1281 A CB -0.475 18.545 19.000 0.034 0.000 0.812 1281 A HN 0.530 nan 8.150 nan 0.000 0.462 1282 A N -1.185 121.628 122.820 -0.012 0.000 1.997 1282 A HA 0.121 4.441 4.320 -0.000 0.000 0.212 1282 A C 2.127 179.691 177.584 -0.032 0.000 1.178 1282 A CA 0.815 52.843 52.037 -0.016 0.000 0.698 1282 A CB -0.236 18.794 19.000 0.050 0.000 0.842 1282 A HN 0.490 nan 8.150 nan 0.000 0.458 1283 R N -0.169 120.291 120.500 -0.066 0.000 2.096 1283 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 1283 R C 2.258 178.511 176.300 -0.078 0.000 1.127 1283 R CA 1.206 57.248 56.100 -0.097 0.000 0.968 1283 R CB -0.317 29.874 30.300 -0.183 0.000 0.861 1283 R HN 0.485 nan 8.270 nan 0.000 0.440 1284 A N 0.365 123.144 122.820 -0.068 0.000 2.066 1284 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 1284 A C 1.998 179.502 177.584 -0.133 0.000 1.157 1284 A CA 0.885 52.879 52.037 -0.072 0.000 0.670 1284 A CB -0.217 18.757 19.000 -0.043 0.000 0.804 1284 A HN 0.313 nan 8.150 nan 0.000 0.453 1285 Q N -0.571 119.101 119.800 -0.214 0.000 2.016 1285 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 1285 Q C 0.787 176.506 176.000 -0.468 0.000 0.978 1285 Q CA 1.814 57.374 55.803 -0.405 0.000 0.833 1285 Q CB -0.110 28.245 28.738 -0.639 0.000 0.895 1285 Q HN 0.845 nan 8.270 nan 0.000 0.427 1286 H N -1.589 117.374 119.070 -0.179 0.000 2.507 1286 H HA 0.211 4.766 4.556 -0.000 0.000 0.294 1286 H C -0.095 175.156 175.328 -0.127 0.000 1.064 1286 H CA 0.279 56.224 56.048 -0.172 0.000 1.138 1286 H CB 0.681 30.323 29.762 -0.199 0.000 1.515 1286 H HN 0.036 nan 8.280 nan 0.000 0.547 1287 T N -0.251 114.279 114.554 -0.040 0.000 3.228 1287 T HA 0.280 4.630 4.350 -0.000 0.000 0.278 1287 T C 1.676 176.352 174.700 -0.041 0.000 1.014 1287 T CA 0.530 62.607 62.100 -0.038 0.000 0.904 1287 T CB -0.398 68.443 68.868 -0.046 0.000 1.110 1287 T HN 0.713 nan 8.240 nan 0.000 0.541 1288 G N 2.942 111.711 108.800 -0.052 0.000 4.297 1288 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.359 1288 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.359 1288 G C 0.897 175.766 174.900 -0.053 0.000 1.454 1288 G CA 1.385 46.453 45.100 -0.054 0.000 1.272 1288 G HN 0.669 nan 8.290 nan 0.000 0.797 1289 N N 1.320 119.999 118.700 -0.035 0.000 2.378 1289 N HA 0.140 4.880 4.740 -0.000 0.000 0.225 1289 N C 0.325 175.827 175.510 -0.014 0.000 1.153 1289 N CA 0.798 53.833 53.050 -0.025 0.000 1.134 1289 N CB -0.861 37.615 38.487 -0.017 0.000 1.490 1289 N HN 0.855 nan 8.380 nan 0.000 0.541 1290 N N 0.314 119.013 118.700 -0.002 0.000 2.482 1290 N HA -0.101 4.639 4.740 -0.000 0.000 0.288 1290 N C 1.115 176.643 175.510 0.030 0.000 1.319 1290 N CA 0.751 53.810 53.050 0.015 0.000 0.671 1290 N CB -1.650 36.847 38.487 0.017 0.000 0.911 1290 N HN 0.493 nan 8.380 nan 0.000 0.531 1291 V N 0.626 120.558 119.914 0.029 0.000 2.282 1291 V HA -0.297 3.823 4.120 -0.000 0.000 0.241 1291 V C 1.034 177.154 176.094 0.044 0.000 1.005 1291 V CA 1.605 63.923 62.300 0.031 0.000 1.033 1291 V CB -0.348 31.491 31.823 0.027 0.000 0.677 1291 V HN 0.615 nan 8.190 nan 0.000 0.494 1292 K N 0.522 120.954 120.400 0.053 0.000 2.484 1292 K HA 0.345 4.665 4.320 -0.000 0.000 0.226 1292 K C -0.401 176.247 176.600 0.081 0.000 1.031 1292 K CA -0.277 56.050 56.287 0.066 0.000 1.026 1292 K CB 0.836 33.372 32.500 0.060 0.000 1.412 1292 K HN 0.355 nan 8.250 nan 0.000 0.492 1293 E N 2.184 122.451 120.200 0.112 0.000 2.608 1293 E HA -0.082 4.268 4.350 -0.000 0.000 0.259 1293 E C -0.308 176.386 176.600 0.157 0.000 0.951 1293 E CA 0.563 57.066 56.400 0.172 0.000 0.945 1293 E CB 0.611 30.491 29.700 0.300 0.000 0.916 1293 E HN 0.466 nan 8.360 nan 0.000 0.477 1294 L N 6.199 127.508 121.223 0.144 0.000 2.435 1294 L HA 0.269 4.609 4.340 -0.000 0.000 0.253 1294 L C -0.412 176.530 176.870 0.119 0.000 1.087 1294 L CA -0.606 54.282 54.840 0.080 0.000 0.950 1294 L CB -0.219 41.871 42.059 0.052 0.000 1.304 1294 L HN 0.337 nan 8.230 nan 0.000 0.453 1295 F N 0.304 120.286 119.950 0.053 0.000 2.458 1295 F HA 0.675 5.202 4.527 -0.000 0.000 0.330 1295 F C 0.301 176.140 175.800 0.065 0.000 1.082 1295 F CA -1.484 56.544 58.000 0.048 0.000 0.995 1295 F CB 0.680 39.697 39.000 0.028 0.000 1.170 1295 F HN 0.192 nan 8.300 nan 0.000 0.478 1296 R N 3.193 123.837 120.500 0.239 0.000 2.343 1296 R HA 0.430 4.770 4.340 -0.000 0.000 0.326 1296 R C -1.765 174.660 176.300 0.208 0.000 1.055 1296 R CA -0.170 56.035 56.100 0.176 0.000 0.961 1296 R CB -0.102 30.297 30.300 0.166 0.000 0.978 1296 R HN 0.849 nan 8.270 nan 0.000 0.443 1297 L N 4.254 125.555 121.223 0.130 0.000 2.349 1297 L HA 0.498 4.838 4.340 -0.000 0.000 0.278 1297 L C -1.153 175.826 176.870 0.182 0.000 0.996 1297 L CA -0.290 54.630 54.840 0.134 0.000 0.825 1297 L CB 1.798 43.873 42.059 0.026 0.000 1.243 1297 L HN 0.663 nan 8.230 nan 0.000 0.412 1298 D N 1.844 122.352 120.400 0.179 0.000 2.217 1298 D HA 0.259 4.899 4.640 -0.000 0.000 0.248 1298 D C -0.627 175.759 176.300 0.143 0.000 1.008 1298 D CA -0.078 54.026 54.000 0.172 0.000 0.914 1298 D CB 2.127 43.031 40.800 0.174 0.000 1.182 1298 D HN 0.473 nan 8.370 nan 0.000 0.451 1299 S N 1.806 117.495 115.700 -0.020 0.000 2.411 1299 S HA 0.533 5.003 4.470 -0.000 0.000 0.294 1299 S C -2.741 171.796 174.600 -0.106 0.000 1.115 1299 S CA -1.003 57.112 58.200 -0.142 0.000 1.071 1299 S CB 0.600 63.577 63.200 -0.372 0.000 0.967 1299 S HN 0.127 nan 8.310 nan 0.000 0.488 1300 P HA 0.415 nan 4.420 nan 0.000 0.312 1300 P C -1.237 176.093 177.300 0.050 0.000 1.499 1300 P CA -0.693 62.405 63.100 -0.002 0.000 1.128 1300 P CB 1.788 33.478 31.700 -0.017 0.000 1.264 1301 A N 2.186 125.073 122.820 0.111 0.000 3.051 1301 A HA 0.343 4.663 4.320 -0.000 0.000 0.257 1301 A C 0.641 178.226 177.584 0.003 0.000 1.785 1301 A CA 0.066 52.154 52.037 0.084 0.000 1.420 1301 A CB -1.520 17.551 19.000 0.117 0.000 1.063 1301 A HN 0.546 nan 8.150 nan 0.000 0.630 1302 T N -1.042 113.509 114.554 -0.005 0.000 2.932 1302 T HA 0.222 4.572 4.350 -0.000 0.000 0.312 1302 T C -1.447 173.199 174.700 -0.091 0.000 1.071 1302 T CA -1.059 61.028 62.100 -0.022 0.000 1.128 1302 T CB 0.298 69.157 68.868 -0.015 0.000 0.984 1302 T HN 0.216 nan 8.240 nan 0.000 0.549 1303 P HA -0.297 nan 4.420 nan 0.000 0.226 1303 P C 1.409 178.351 177.300 -0.595 0.000 1.154 1303 P CA 1.734 64.749 63.100 -0.141 0.000 0.901 1303 P CB 0.097 31.826 31.700 0.048 0.000 0.788 1304 E N -0.191 119.590 120.200 -0.698 0.000 2.006 1304 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 1304 E C 1.898 178.112 176.600 -0.643 0.000 0.993 1304 E CA 1.277 56.950 56.400 -1.212 0.000 0.808 1304 E CB -0.260 29.164 29.700 -0.461 0.000 0.764 1304 E HN 0.120 nan 8.360 nan 0.000 0.449 1305 K N 0.236 120.464 120.400 -0.287 0.000 2.211 1305 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 1305 K C 2.135 178.656 176.600 -0.131 0.000 1.047 1305 K CA 1.084 57.287 56.287 -0.141 0.000 0.935 1305 K CB -0.049 32.425 32.500 -0.045 0.000 0.728 1305 K HN 0.290 nan 8.250 nan 0.000 0.452 1306 I N 0.067 120.538 120.570 -0.165 0.000 2.162 1306 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 1306 I C 2.479 178.526 176.117 -0.117 0.000 1.076 1306 I CA 0.817 62.044 61.300 -0.122 0.000 1.353 1306 I CB -0.240 37.695 38.000 -0.109 0.000 1.063 1306 I HN 0.075 nan 8.210 nan 0.000 0.408 1307 R N 1.942 122.342 120.500 -0.167 0.000 2.094 1307 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 1307 R C 1.972 178.246 176.300 -0.043 0.000 1.137 1307 R CA 1.880 57.938 56.100 -0.069 0.000 0.943 1307 R CB -0.879 29.426 30.300 0.008 0.000 0.850 1307 R HN 0.302 nan 8.270 nan 0.000 0.433 1308 N N 0.155 118.797 118.700 -0.095 0.000 2.061 1308 N HA -0.167 4.573 4.740 -0.000 0.000 0.193 1308 N C 1.270 176.750 175.510 -0.050 0.000 1.030 1308 N CA 2.037 55.061 53.050 -0.044 0.000 0.856 1308 N CB -0.531 37.923 38.487 -0.055 0.000 1.023 1308 N HN 0.404 nan 8.380 nan 0.000 0.424 1309 A N -0.676 122.097 122.820 -0.077 0.000 2.238 1309 A HA 0.078 4.398 4.320 -0.000 0.000 0.208 1309 A C 0.866 178.352 177.584 -0.164 0.000 1.177 1309 A CA -0.042 51.922 52.037 -0.122 0.000 0.804 1309 A CB -0.223 18.704 19.000 -0.122 0.000 0.823 1309 A HN 0.331 nan 8.150 nan 0.000 0.482 1310 C N 1.778 121.021 119.300 -0.094 0.000 2.615 1310 C HA 0.365 4.825 4.460 -0.000 0.000 0.503 1310 C C 0.723 175.681 174.990 -0.053 0.000 1.039 1310 C CA -0.827 58.150 59.018 -0.069 0.000 1.226 1310 C CB -2.170 25.569 27.740 -0.001 0.000 1.447 1310 C HN 0.338 nan 8.230 nan 0.000 0.572 1311 V N 3.988 123.849 119.914 -0.089 0.000 2.585 1311 V HA 0.216 4.336 4.120 -0.000 0.000 0.296 1311 V C 0.299 176.355 176.094 -0.065 0.000 1.035 1311 V CA 0.754 63.012 62.300 -0.069 0.000 1.084 1311 V CB 0.753 32.529 31.823 -0.078 0.000 0.953 1311 V HN 0.910 nan 8.190 nan 0.000 0.483 1312 D N 2.175 122.522 120.400 -0.087 0.000 2.812 1312 D HA 0.350 4.990 4.640 -0.000 0.000 0.318 1312 D C 0.690 176.856 176.300 -0.225 0.000 1.234 1312 D CA -0.802 53.088 54.000 -0.183 0.000 0.989 1312 D CB 0.906 41.512 40.800 -0.323 0.000 1.442 1312 D HN 0.190 nan 8.370 nan 0.000 0.537 1313 K N -0.476 119.672 120.400 -0.420 0.000 2.189 1313 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 1313 K C 1.388 177.848 176.600 -0.232 0.000 1.046 1313 K CA 1.863 57.885 56.287 -0.442 0.000 0.928 1313 K CB -0.463 31.576 32.500 -0.768 0.000 0.720 1313 K HN 0.403 nan 8.250 nan 0.000 0.458 1314 F N -0.161 119.722 119.950 -0.111 0.000 2.622 1314 F HA -0.021 4.506 4.527 -0.000 0.000 0.288 1314 F C 2.854 178.616 175.800 -0.063 0.000 1.120 1314 F CA 0.315 58.255 58.000 -0.099 0.000 1.423 1314 F CB -0.161 38.754 39.000 -0.142 0.000 1.127 1314 F HN 0.055 nan 8.300 nan 0.000 0.588 1315 T N -1.145 113.463 114.554 0.090 0.000 2.788 1315 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 1315 T C 1.933 176.661 174.700 0.047 0.000 1.044 1315 T CA 2.298 64.432 62.100 0.057 0.000 1.139 1315 T CB -0.608 68.271 68.868 0.020 0.000 0.867 1315 T HN 0.141 nan 8.240 nan 0.000 0.454 1316 T N 1.837 116.410 114.554 0.031 0.000 2.821 1316 T HA 0.183 4.533 4.350 -0.000 0.000 0.267 1316 T C 1.749 176.465 174.700 0.027 0.000 1.046 1316 T CA 1.020 63.130 62.100 0.016 0.000 1.139 1316 T CB -0.261 68.601 68.868 -0.011 0.000 0.871 1316 T HN 0.346 nan 8.240 nan 0.000 0.454 1317 L N 0.007 121.259 121.223 0.048 0.000 2.291 1317 L HA 0.025 4.365 4.340 -0.000 0.000 0.214 1317 L C 2.193 179.088 176.870 0.042 0.000 1.120 1317 L CA 0.790 55.658 54.840 0.046 0.000 0.799 1317 L CB -0.640 41.459 42.059 0.066 0.000 0.925 1317 L HN 0.378 nan 8.230 nan 0.000 0.446 1318 c N -0.847 117.782 118.600 0.048 0.000 2.696 1318 c HA 0.256 4.826 4.570 -0.000 0.000 0.264 1318 c C 1.318 175.439 174.090 0.053 0.000 1.288 1318 c CA -0.196 56.162 56.329 0.048 0.000 1.717 1318 c CB -0.805 41.728 42.510 0.038 0.000 1.893 1318 c HN 0.533 nan 8.230 nan 0.000 0.577 1327 K N 2.637 123.070 120.400 0.055 0.000 2.614 1327 K HA 0.221 4.541 4.320 -0.000 0.000 0.190 1327 K C -1.941 174.706 176.600 0.078 0.000 1.255 1327 K CA -0.228 56.093 56.287 0.057 0.000 1.099 1327 K CB -0.512 32.018 32.500 0.050 0.000 1.023 1327 K HN 0.600 nan 8.250 nan 0.000 0.576 1328 P HA 0.184 nan 4.420 nan 0.000 0.297 1328 P C 0.581 178.026 177.300 0.243 0.000 1.303 1328 P CA -0.482 62.707 63.100 0.149 0.000 0.753 1328 P CB 0.701 32.482 31.700 0.134 0.000 1.281 1329 W N 0.374 121.725 121.300 0.086 0.000 2.380 1329 W HA -0.110 4.550 4.660 -0.000 0.000 0.317 1329 W C 1.689 178.321 176.519 0.187 0.000 1.196 1329 W CA 2.231 59.654 57.345 0.129 0.000 1.307 1329 W CB -0.589 28.939 29.460 0.114 0.000 1.157 1329 W HN 0.556 nan 8.180 nan 0.000 0.483 1330 S N -2.889 112.909 115.700 0.163 0.000 4.286 1330 S HA 0.685 5.155 4.470 -0.000 0.000 0.205 1330 S C 0.464 175.102 174.600 0.064 0.000 1.133 1330 S CA 0.084 58.320 58.200 0.061 0.000 1.710 1330 S CB 1.628 64.924 63.200 0.159 0.000 1.150 1330 S HN 0.277 nan 8.310 nan 0.000 0.773 1331 V N 0.141 120.096 119.914 0.068 0.000 0.689 1331 V HA 0.235 4.355 4.120 -0.000 0.000 0.092 1331 V C 0.157 176.257 176.094 0.011 0.000 0.797 1331 V CA 0.673 62.991 62.300 0.030 0.000 3.102 1331 V CB -1.022 30.811 31.823 0.017 0.000 0.200 1331 V HN 1.466 nan 8.190 nan 0.000 0.111 1332 R N 0.000 120.475 120.500 -0.042 0.000 2.786 1332 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1332 R CA 0.000 56.051 56.100 -0.082 0.000 0.921 1332 R CB 0.000 30.165 30.300 -0.225 0.000 0.687 1332 R HN 0.000 nan 8.270 nan 0.000 0.535