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 1ej6_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRIPRKTKG KSXXXXXXXX XXXXXXXXXX XXXXXXXXXP ATTEPGTSNR DATA SEQUENCE EQYRARPGIA SVQRATESAE LPMKNNDEGT PDKKGNTRGD LVNEHSEAKD DATA SEQUENCE EADEATQKQA KDTDKSKAQV TYSDTGINNA NELSRSGNVD NEGGSNQKPM DATA SEQUENCE STRIAEATSA IVSKHPAXXX XXXXXXXXXX YQCHVCSAVL FSPLDLDAHV DATA SEQUENCE ASHGLHGNXX XXXXEIQRHI TEFISSWQNH PIVQVSADVE NKKTAQLLHA DATA SEQUENCE DTPRLVTWDA GLCTSFKIVP IVPAQVPQDV LAYTFFTSSY AIQSPFPEAA DATA SEQUENCE VSRIVVHTRW ASNVDFDRDS SVIMAPPTEN NIHLFKQLLN TETLSVRGAN DATA SEQUENCE PLMFRANVLH MLLEFVLDNL YLNRHTGFSQ DHTPFTEGAN LRSLPGPDAE DATA SEQUENCE KWYSIMYPTR MGTPNVSKIC NFVASCVRNR VGRFDRAQMM NGAMSEWVDV DATA SEQUENCE FETSDALTVS IRGRWMARLA RMNINPTEIE WALTECAQGY VTVTSPYAPS DATA SEQUENCE VNRLMPYRIS NAERQISQII RIMNIGNNAT VIQPVLQDIS VLLQRISPLQ DATA SEQUENCE IDPTIISNTM STXXXXXXXX LSPASSILGK LRPSNSDFSS FRVALAGWLY DATA SEQUENCE NGVVTTVIDD SSYPKDGGSV TSLENLWDFF ILALALPLTT DPCAPVKAFM DATA SEQUENCE TLANMMVGFE TIPMDNQIYT QSRRASAFST PHTWPRCFMN IQLISPIDAP DATA SEQUENCE ILRQWAEIIH RYWPNPSQIR YGAPNVFGSA NLFTPPEVLL LPIDHQPANV DATA SEQUENCE TTPTLDFTNE LTNWRARVCE LMKNLVDNQR YQPGWTQSLV SSMRGTLDKL DATA SEQUENCE KLIKSMTPMY LQQLAPVELA VIAPMLPFPP FQVPYVRLDR DRVPTMVGVT DATA SEQUENCE RQSRDTITQP ALSLSTTNTT VGVPLALDAR AITVALLSGK YPPDLVTNVW DATA SEQUENCE YADAIYPMYA DTEVFSNLQR DMITCEAVQT LVTLVAQISE TQYPVDRYLD DATA SEQUENCE WIPSLRASAA TAATFAEWVN TSMKTAFDLS DMLLEPLLSG DPRMTQLAIQ DATA SEQUENCE YQQYNGRTFN VIPEMPGSVI ADCVQLTAEV FNHEYNLFGI ARGDIIIGRV DATA SEQUENCE QSTHLWSPLA PPPDLVFDRD TPGVHIFGRD CRISFGMNGA APMIRDETGM DATA SEQUENCE MVPFEGNWIF PLALWQMNTR YFNQQFDAWI KTGELRIRIE MGAYPYMLHY DATA SEQUENCE YDPRQYANAW NLTSAWLEEI TPTSIPSVPF MVPISSDHDI SSAPAVQYII DATA SEQUENCE STEYNDRSLF CTNSSSPQTI AGPDKHIPVE RYNILTNPDA PPTQIQLPEV DATA SEQUENCE VDLYNVVTRY AYETPPITAV VMGVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.288 176.300 -0.021 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 K N 1.919 122.321 120.400 0.004 0.000 2.201 2 K HA 0.731 5.051 4.320 -0.000 0.000 0.267 2 K C -1.009 175.616 176.600 0.042 0.000 0.975 2 K CA -0.583 55.718 56.287 0.022 0.000 1.293 2 K CB 1.603 34.126 32.500 0.038 0.000 3.096 2 K HN 0.753 nan 8.250 nan 0.000 1.038 3 R N 0.715 121.257 120.500 0.070 0.000 6.214 3 R HA 0.169 4.509 4.340 -0.000 0.000 0.254 3 R C -2.026 174.339 176.300 0.108 0.000 0.907 3 R CA -0.210 55.940 56.100 0.083 0.000 1.634 3 R CB 0.189 30.519 30.300 0.049 0.000 1.185 3 R HN 0.502 nan 8.270 nan 0.000 0.764 4 I N 5.832 126.503 120.570 0.168 0.000 2.390 4 I HA 0.357 4.527 4.170 -0.000 0.000 0.283 4 I C -2.097 174.169 176.117 0.247 0.000 1.016 4 I CA -2.214 59.206 61.300 0.200 0.000 1.151 4 I CB 1.913 40.056 38.000 0.239 0.000 1.293 4 I HN 0.326 nan 8.210 nan 0.000 0.458 5 P HA 0.180 nan 4.420 nan 0.000 0.269 5 P C -0.473 176.953 177.300 0.209 0.000 1.209 5 P CA -0.255 62.924 63.100 0.132 0.000 0.776 5 P CB 0.518 32.266 31.700 0.080 0.000 0.876 6 R N 1.976 122.578 120.500 0.170 0.000 2.641 6 R HA 0.119 4.459 4.340 -0.000 0.000 0.269 6 R C 1.419 177.810 176.300 0.150 0.000 1.074 6 R CA -0.145 56.101 56.100 0.243 0.000 1.133 6 R CB 0.421 30.774 30.300 0.087 0.000 1.029 6 R HN 0.536 nan 8.270 nan 0.000 0.488 7 K N -0.626 119.866 120.400 0.153 0.000 2.353 7 K HA 0.160 4.480 4.320 -0.000 0.000 0.195 7 K C -0.155 176.485 176.600 0.066 0.000 1.031 7 K CA 0.206 56.544 56.287 0.085 0.000 1.079 7 K CB 0.814 33.353 32.500 0.065 0.000 0.857 7 K HN 0.307 nan 8.250 nan 0.000 0.535 8 T N 0.779 115.382 114.554 0.081 0.000 2.926 8 T HA 0.341 4.691 4.350 -0.000 0.000 0.289 8 T C -1.094 173.624 174.700 0.029 0.000 1.054 8 T CA -0.965 61.165 62.100 0.051 0.000 1.015 8 T CB 1.856 70.761 68.868 0.062 0.000 1.167 8 T HN -0.003 nan 8.240 nan 0.000 0.526 9 K N 0.722 121.127 120.400 0.008 0.000 2.156 9 K HA 0.620 4.940 4.320 -0.000 0.000 0.271 9 K C 0.429 177.020 176.600 -0.016 0.000 0.995 9 K CA -0.783 55.499 56.287 -0.008 0.000 0.890 9 K CB 1.532 34.023 32.500 -0.015 0.000 1.073 9 K HN 0.691 nan 8.250 nan 0.000 0.454 10 G N 1.018 109.802 108.800 -0.028 0.000 2.702 10 G HA2 0.049 4.009 3.960 -0.000 0.000 0.254 10 G HA3 0.049 4.009 3.960 -0.000 0.000 0.254 10 G C 0.607 175.493 174.900 -0.023 0.000 1.380 10 G CA -0.350 44.730 45.100 -0.033 0.000 1.042 10 G HN 0.540 nan 8.290 nan 0.000 0.557 11 K N -0.375 120.015 120.400 -0.017 0.000 2.286 11 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 11 K C 1.565 178.166 176.600 0.001 0.000 1.045 11 K CA 0.828 57.120 56.287 0.007 0.000 0.935 11 K CB -0.413 32.095 32.500 0.014 0.000 0.737 11 K HN 0.312 nan 8.250 nan 0.000 0.460 41 A N 1.182 123.988 122.820 -0.024 0.000 2.624 41 A HA 0.293 4.613 4.320 -0.000 0.000 0.231 41 A C 0.896 178.457 177.584 -0.039 0.000 1.034 41 A CA 1.398 53.418 52.037 -0.029 0.000 0.754 41 A CB 0.003 18.990 19.000 -0.022 0.000 0.953 41 A HN 0.564 nan 8.150 nan 0.000 0.509 42 T N 0.918 115.441 114.554 -0.053 0.000 3.144 42 T HA 0.130 4.480 4.350 -0.000 0.000 0.290 42 T C 0.273 174.929 174.700 -0.074 0.000 0.966 42 T CA 0.333 62.389 62.100 -0.073 0.000 0.907 42 T CB 0.135 68.932 68.868 -0.119 0.000 1.152 42 T HN 0.646 nan 8.240 nan 0.000 0.532 43 T N 3.596 118.119 114.554 -0.053 0.000 2.848 43 T HA 0.209 4.559 4.350 -0.000 0.000 0.283 43 T C 0.142 174.826 174.700 -0.027 0.000 0.919 43 T CA -0.102 61.972 62.100 -0.044 0.000 1.071 43 T CB 0.325 69.175 68.868 -0.031 0.000 0.912 43 T HN 0.358 nan 8.240 nan 0.000 0.570 44 E N 4.066 124.252 120.200 -0.025 0.000 2.392 44 E HA 0.098 4.448 4.350 -0.000 0.000 0.264 44 E C -1.529 175.068 176.600 -0.006 0.000 1.024 44 E CA -1.651 54.748 56.400 -0.002 0.000 0.903 44 E CB 0.729 30.436 29.700 0.011 0.000 0.963 44 E HN 0.227 nan 8.360 nan 0.000 0.432 45 P HA 0.041 nan 4.420 nan 0.000 0.239 45 P C 0.230 177.528 177.300 -0.003 0.000 1.184 45 P CA 0.782 63.883 63.100 0.001 0.000 0.760 45 P CB 0.491 32.195 31.700 0.006 0.000 0.884 46 G N -1.809 106.985 108.800 -0.010 0.000 3.342 46 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.252 46 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.252 46 G C 1.028 175.911 174.900 -0.029 0.000 1.011 46 G CA 0.198 45.287 45.100 -0.017 0.000 0.869 46 G HN 0.270 nan 8.290 nan 0.000 0.514 47 T N -1.553 112.980 114.554 -0.035 0.000 3.160 47 T HA 0.161 4.511 4.350 -0.000 0.000 0.257 47 T C 1.343 176.026 174.700 -0.028 0.000 1.147 47 T CA 0.464 62.537 62.100 -0.045 0.000 1.064 47 T CB 0.108 68.940 68.868 -0.060 0.000 0.949 47 T HN 0.102 nan 8.240 nan 0.000 0.526 48 S N 2.214 117.905 115.700 -0.014 0.000 2.516 48 S HA 0.178 4.648 4.470 -0.000 0.000 0.282 48 S C 0.051 174.654 174.600 0.005 0.000 1.286 48 S CA -0.693 57.506 58.200 -0.002 0.000 1.066 48 S CB -0.355 62.847 63.200 0.003 0.000 0.884 48 S HN 0.598 nan 8.310 nan 0.000 0.491 49 N N 3.318 122.027 118.700 0.014 0.000 2.430 49 N HA 0.229 4.969 4.740 -0.000 0.000 0.265 49 N C -0.169 175.358 175.510 0.029 0.000 1.100 49 N CA -0.244 52.820 53.050 0.023 0.000 0.961 49 N CB 0.380 38.887 38.487 0.033 0.000 1.075 49 N HN 0.468 nan 8.380 nan 0.000 0.478 50 R N 2.752 123.273 120.500 0.034 0.000 2.772 50 R HA 0.054 4.394 4.340 -0.000 0.000 0.358 50 R C -0.433 175.903 176.300 0.060 0.000 1.143 50 R CA -0.266 55.859 56.100 0.042 0.000 1.153 50 R CB 0.062 30.384 30.300 0.036 0.000 1.329 50 R HN 0.699 nan 8.270 nan 0.000 0.615 51 E N 2.122 122.361 120.200 0.064 0.000 2.847 51 E HA -0.124 4.226 4.350 -0.000 0.000 0.290 51 E C -0.313 176.348 176.600 0.102 0.000 1.103 51 E CA 0.389 56.843 56.400 0.089 0.000 1.173 51 E CB 0.365 30.111 29.700 0.078 0.000 1.045 51 E HN 0.120 nan 8.360 nan 0.000 0.461 52 Q N 1.685 121.557 119.800 0.120 0.000 2.217 52 Q HA 0.044 4.384 4.340 -0.000 0.000 0.226 52 Q C -0.940 175.170 176.000 0.182 0.000 0.875 52 Q CA -0.096 55.778 55.803 0.117 0.000 0.974 52 Q CB -0.150 28.646 28.738 0.097 0.000 1.079 52 Q HN 0.429 nan 8.270 nan 0.000 0.463 53 Y N 0.235 120.570 120.300 0.058 0.000 2.393 53 Y HA 0.470 5.020 4.550 -0.000 0.000 0.341 53 Y C -0.654 175.286 175.900 0.067 0.000 0.988 53 Y CA -1.286 56.858 58.100 0.072 0.000 1.078 53 Y CB 1.167 39.694 38.460 0.112 0.000 1.203 53 Y HN -0.139 nan 8.280 nan 0.000 0.453 54 R N 4.513 124.550 120.500 -0.771 0.000 2.435 54 R HA 0.731 5.071 4.340 -0.000 0.000 0.308 54 R C -0.874 174.911 176.300 -0.859 0.000 0.975 54 R CA -0.687 55.086 56.100 -0.545 0.000 0.867 54 R CB 0.779 30.905 30.300 -0.290 0.000 1.171 54 R HN 0.881 nan 8.270 nan 0.000 0.470 55 A N 3.495 126.030 122.820 -0.475 0.000 2.547 55 A HA 0.150 4.470 4.320 -0.000 0.000 0.233 55 A C -0.162 177.289 177.584 -0.222 0.000 1.067 55 A CA 0.255 52.177 52.037 -0.191 0.000 0.763 55 A CB 0.354 19.369 19.000 0.024 0.000 1.007 55 A HN 0.705 nan 8.150 nan 0.000 0.506 56 R N 2.009 122.395 120.500 -0.191 0.000 2.695 56 R HA 0.289 4.629 4.340 -0.000 0.000 0.288 56 R C -3.152 172.734 176.300 -0.689 0.000 1.344 56 R CA -1.638 54.274 56.100 -0.313 0.000 1.005 56 R CB 1.852 32.055 30.300 -0.162 0.000 1.233 56 R HN 0.661 nan 8.270 nan 0.000 0.442 57 P HA 0.053 nan 4.420 nan 0.000 0.270 57 P C 0.226 177.350 177.300 -0.295 0.000 1.223 57 P CA -0.059 62.696 63.100 -0.574 0.000 0.785 57 P CB 0.722 32.072 31.700 -0.584 0.000 0.923 58 G N 1.574 110.260 108.800 -0.190 0.000 2.441 58 G HA2 0.112 4.072 3.960 -0.000 0.000 0.243 58 G HA3 0.112 4.072 3.960 -0.000 0.000 0.243 58 G C 1.329 176.168 174.900 -0.102 0.000 1.281 58 G CA -0.608 44.417 45.100 -0.124 0.000 0.854 58 G HN 0.447 nan 8.290 nan 0.000 0.560 59 I N 2.124 122.637 120.570 -0.095 0.000 2.151 59 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 59 I C 3.102 179.176 176.117 -0.072 0.000 1.080 59 I CA 1.717 62.952 61.300 -0.108 0.000 1.339 59 I CB -0.307 37.553 38.000 -0.233 0.000 1.039 59 I HN 0.585 nan 8.210 nan 0.000 0.409 60 A N -0.022 122.772 122.820 -0.044 0.000 1.865 60 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 60 A C 2.500 180.071 177.584 -0.022 0.000 1.191 60 A CA 2.470 54.498 52.037 -0.015 0.000 0.623 60 A CB -1.091 17.909 19.000 -0.000 0.000 0.826 60 A HN 0.421 nan 8.150 nan 0.000 0.444 61 S N -0.760 114.921 115.700 -0.031 0.000 2.369 61 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 61 S C 1.919 176.504 174.600 -0.025 0.000 1.043 61 S CA 2.106 60.290 58.200 -0.027 0.000 1.074 61 S CB -0.661 62.515 63.200 -0.039 0.000 0.962 61 S HN 0.361 nan 8.310 nan 0.000 0.433 62 V N 2.213 122.102 119.914 -0.042 0.000 2.407 62 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 62 V C 2.675 178.755 176.094 -0.023 0.000 1.055 62 V CA 1.953 64.233 62.300 -0.033 0.000 1.049 62 V CB -0.866 30.926 31.823 -0.051 0.000 0.662 62 V HN 0.533 nan 8.190 nan 0.000 0.455 63 Q N 0.081 119.863 119.800 -0.030 0.000 1.921 63 Q HA -0.236 4.104 4.340 -0.000 0.000 0.208 63 Q C 2.470 178.466 176.000 -0.007 0.000 0.994 63 Q CA 1.880 57.669 55.803 -0.024 0.000 0.857 63 Q CB -0.379 28.346 28.738 -0.022 0.000 0.925 63 Q HN 0.546 nan 8.270 nan 0.000 0.421 64 R N 0.440 120.939 120.500 -0.002 0.000 2.165 64 R HA -0.265 4.075 4.340 -0.000 0.000 0.254 64 R C 2.300 178.601 176.300 0.001 0.000 1.153 64 R CA 1.635 57.737 56.100 0.003 0.000 0.971 64 R CB -0.682 29.620 30.300 0.004 0.000 0.878 64 R HN 0.337 nan 8.270 nan 0.000 0.449 65 A N 0.489 123.310 122.820 0.002 0.000 1.858 65 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 65 A C 2.337 179.925 177.584 0.007 0.000 1.190 65 A CA 2.224 54.266 52.037 0.007 0.000 0.617 65 A CB -1.132 17.876 19.000 0.014 0.000 0.827 65 A HN 0.562 nan 8.150 nan 0.000 0.443 66 T N -2.649 111.909 114.554 0.008 0.000 2.995 66 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 66 T C 1.587 176.286 174.700 -0.001 0.000 1.091 66 T CA 1.439 63.546 62.100 0.012 0.000 1.128 66 T CB -0.268 68.611 68.868 0.018 0.000 0.891 66 T HN 0.577 nan 8.240 nan 0.000 0.492 67 E N 0.710 120.908 120.200 -0.003 0.000 2.160 67 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 67 E C 1.967 178.514 176.600 -0.087 0.000 0.991 67 E CA 1.219 57.617 56.400 -0.003 0.000 0.810 67 E CB -0.065 29.648 29.700 0.022 0.000 0.742 67 E HN 0.560 nan 8.360 nan 0.000 0.466 68 S N -0.675 114.985 115.700 -0.067 0.000 2.503 68 S HA 0.119 4.589 4.470 -0.000 0.000 0.217 68 S C 1.639 176.196 174.600 -0.071 0.000 0.999 68 S CA 0.403 58.549 58.200 -0.090 0.000 0.914 68 S CB 0.568 63.738 63.200 -0.051 0.000 0.782 68 S HN 0.341 nan 8.310 nan 0.000 0.520 69 A N 1.786 124.584 122.820 -0.035 0.000 1.930 69 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 69 A C 1.891 179.465 177.584 -0.017 0.000 1.176 69 A CA 0.785 52.817 52.037 -0.007 0.000 0.632 69 A CB -0.358 18.655 19.000 0.023 0.000 0.819 69 A HN 0.422 nan 8.150 nan 0.000 0.445 70 E N 0.127 120.305 120.200 -0.036 0.000 2.086 70 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 70 E C -0.064 176.501 176.600 -0.058 0.000 1.012 70 E CA 0.514 56.898 56.400 -0.027 0.000 0.812 70 E CB -0.483 29.219 29.700 0.005 0.000 0.743 70 E HN 0.597 nan 8.360 nan 0.000 0.453 71 L N 3.568 124.697 121.223 -0.156 0.000 2.706 71 L HA -0.035 4.305 4.340 -0.000 0.000 0.282 71 L C -1.797 175.033 176.870 -0.068 0.000 1.219 71 L CA -0.850 53.899 54.840 -0.151 0.000 0.935 71 L CB -0.662 41.283 42.059 -0.190 0.000 1.204 71 L HN 0.061 nan 8.230 nan 0.000 0.491 72 P HA 0.107 nan 4.420 nan 0.000 0.275 72 P C -0.428 176.830 177.300 -0.071 0.000 1.228 72 P CA -0.591 62.483 63.100 -0.042 0.000 0.786 72 P CB 0.869 32.551 31.700 -0.029 0.000 0.927 73 M N 1.391 120.929 119.600 -0.104 0.000 2.252 73 M HA 0.182 4.662 4.480 -0.000 0.000 0.333 73 M C 0.706 176.933 176.300 -0.121 0.000 1.111 73 M CA -0.123 55.096 55.300 -0.136 0.000 1.140 73 M CB -0.327 32.139 32.600 -0.223 0.000 1.538 73 M HN 0.243 nan 8.290 nan 0.000 0.448 74 K N 1.364 121.697 120.400 -0.111 0.000 2.436 74 K HA 0.109 4.429 4.320 -0.000 0.000 0.275 74 K C -0.236 176.306 176.600 -0.096 0.000 0.999 74 K CA -0.571 55.661 56.287 -0.092 0.000 0.980 74 K CB 0.268 32.719 32.500 -0.083 0.000 0.919 74 K HN 0.615 nan 8.250 nan 0.000 0.484 75 N N 1.957 120.611 118.700 -0.078 0.000 2.492 75 N HA -0.078 4.662 4.740 -0.000 0.000 0.260 75 N C -1.032 174.435 175.510 -0.071 0.000 1.215 75 N CA 0.085 53.091 53.050 -0.074 0.000 0.923 75 N CB 0.451 38.903 38.487 -0.060 0.000 1.092 75 N HN 0.817 nan 8.380 nan 0.000 0.448 76 N N 2.813 121.470 118.700 -0.072 0.000 2.976 76 N HA 0.099 4.839 4.740 -0.000 0.000 0.255 76 N C -0.089 175.389 175.510 -0.053 0.000 1.312 76 N CA -0.627 52.385 53.050 -0.064 0.000 0.897 76 N CB 0.428 38.872 38.487 -0.071 0.000 1.184 76 N HN 0.449 nan 8.380 nan 0.000 0.497 77 D N 0.941 121.312 120.400 -0.048 0.000 2.108 77 D HA -0.222 4.418 4.640 -0.000 0.000 0.190 77 D C 0.120 176.399 176.300 -0.035 0.000 0.995 77 D CA 1.233 55.208 54.000 -0.042 0.000 0.834 77 D CB -0.122 40.654 40.800 -0.040 0.000 0.967 77 D HN 0.631 nan 8.370 nan 0.000 0.446 78 E N -0.151 120.029 120.200 -0.032 0.000 3.691 78 E HA -0.129 4.221 4.350 -0.000 0.000 0.274 78 E C 0.928 177.514 176.600 -0.023 0.000 0.807 78 E CA 0.705 57.089 56.400 -0.026 0.000 0.979 78 E CB -0.211 29.474 29.700 -0.026 0.000 0.904 78 E HN 0.470 nan 8.360 nan 0.000 0.568 79 G N 2.553 111.343 108.800 -0.016 0.000 2.259 79 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 79 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 79 G C 0.346 175.241 174.900 -0.009 0.000 1.001 79 G CA 0.201 45.294 45.100 -0.012 0.000 0.627 79 G HN 0.872 nan 8.290 nan 0.000 0.501 80 T N 0.380 114.925 114.554 -0.014 0.000 2.902 80 T HA 0.728 5.078 4.350 -0.000 0.000 0.280 80 T C -2.591 172.104 174.700 -0.008 0.000 0.992 80 T CA -1.302 60.791 62.100 -0.011 0.000 1.015 80 T CB 2.956 71.812 68.868 -0.020 0.000 1.044 80 T HN 0.261 nan 8.240 nan 0.000 0.520 81 P HA 0.368 nan 4.420 nan 0.000 0.285 81 P C -1.209 176.083 177.300 -0.013 0.000 1.269 81 P CA -0.456 62.648 63.100 0.006 0.000 0.844 81 P CB 1.087 32.806 31.700 0.031 0.000 1.094 82 D N 0.496 120.887 120.400 -0.016 0.000 2.440 82 D HA 0.173 4.813 4.640 -0.000 0.000 0.258 82 D C 0.967 177.239 176.300 -0.047 0.000 1.092 82 D CA -0.803 53.164 54.000 -0.054 0.000 1.016 82 D CB 0.798 41.567 40.800 -0.051 0.000 1.141 82 D HN 0.189 nan 8.370 nan 0.000 0.552 83 K N -0.445 119.865 120.400 -0.150 0.000 2.293 83 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 83 K C 1.511 178.208 176.600 0.162 0.000 1.045 83 K CA 1.229 57.424 56.287 -0.154 0.000 0.933 83 K CB -0.036 32.166 32.500 -0.496 0.000 0.736 83 K HN 0.363 nan 8.250 nan 0.000 0.463 84 K N -0.978 119.472 120.400 0.084 0.000 2.365 84 K HA -0.010 4.310 4.320 -0.000 0.000 0.197 84 K C 1.147 177.809 176.600 0.103 0.000 1.042 84 K CA 0.694 57.046 56.287 0.109 0.000 0.987 84 K CB 0.574 33.110 32.500 0.060 0.000 0.779 84 K HN 0.388 nan 8.250 nan 0.000 0.484 85 G N 1.421 110.276 108.800 0.092 0.000 2.195 85 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.224 85 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.224 85 G C -0.292 174.637 174.900 0.049 0.000 0.990 85 G CA -0.480 44.669 45.100 0.081 0.000 0.639 85 G HN 0.211 nan 8.290 nan 0.000 0.514 86 N N 1.902 120.623 118.700 0.035 0.000 2.472 86 N HA 0.438 5.178 4.740 -0.000 0.000 0.277 86 N C 0.588 176.106 175.510 0.013 0.000 1.081 86 N CA 0.671 53.733 53.050 0.021 0.000 0.973 86 N CB 1.376 39.872 38.487 0.016 0.000 1.105 86 N HN 0.553 nan 8.380 nan 0.000 0.470 87 T N -0.487 114.073 114.554 0.011 0.000 2.919 87 T HA 0.250 4.600 4.350 -0.000 0.000 0.302 87 T C 0.524 175.223 174.700 -0.002 0.000 1.031 87 T CA -0.760 61.343 62.100 0.005 0.000 1.127 87 T CB 0.611 69.483 68.868 0.006 0.000 0.952 87 T HN 0.487 nan 8.240 nan 0.000 0.540 88 R N 1.893 122.388 120.500 -0.009 0.000 2.500 88 R HA 0.777 5.117 4.340 -0.000 0.000 0.277 88 R C 0.507 176.800 176.300 -0.012 0.000 1.026 88 R CA -0.697 55.395 56.100 -0.013 0.000 1.058 88 R CB 0.833 31.120 30.300 -0.021 0.000 1.078 88 R HN 1.150 nan 8.270 nan 0.000 0.509 89 G N 0.852 109.645 108.800 -0.012 0.000 2.316 89 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.349 89 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.349 89 G C -1.815 173.082 174.900 -0.006 0.000 1.274 89 G CA -0.789 44.304 45.100 -0.011 0.000 1.018 89 G HN 0.611 nan 8.290 nan 0.000 0.486 90 D N -0.335 120.063 120.400 -0.004 0.000 2.272 90 D HA 0.532 5.172 4.640 -0.000 0.000 0.247 90 D C -0.095 176.207 176.300 0.004 0.000 0.990 90 D CA -0.429 53.570 54.000 -0.001 0.000 0.931 90 D CB 1.918 42.717 40.800 -0.001 0.000 1.195 90 D HN 0.205 nan 8.370 nan 0.000 0.477 91 L N 1.659 122.885 121.223 0.005 0.000 2.395 91 L HA 0.179 4.519 4.340 -0.000 0.000 0.268 91 L C -0.320 176.558 176.870 0.013 0.000 1.223 91 L CA 0.000 54.846 54.840 0.009 0.000 1.093 91 L CB -0.092 41.972 42.059 0.008 0.000 1.349 91 L HN 0.037 nan 8.230 nan 0.000 0.427 92 V N 1.169 121.093 119.914 0.017 0.000 2.789 92 V HA 0.330 4.450 4.120 -0.000 0.000 0.311 92 V C 0.256 176.373 176.094 0.039 0.000 1.073 92 V CA -1.238 61.077 62.300 0.024 0.000 0.921 92 V CB 2.157 33.992 31.823 0.020 0.000 1.009 92 V HN 0.613 nan 8.190 nan 0.000 0.426 93 N N 1.532 120.266 118.700 0.055 0.000 2.407 93 N HA -0.026 4.714 4.740 -0.000 0.000 0.250 93 N C 0.810 176.392 175.510 0.120 0.000 1.236 93 N CA -0.247 52.864 53.050 0.102 0.000 0.879 93 N CB 0.988 39.540 38.487 0.108 0.000 1.088 93 N HN 0.734 nan 8.380 nan 0.000 0.450 94 E N 1.694 121.969 120.200 0.125 0.000 2.097 94 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 94 E C 1.227 177.829 176.600 0.002 0.000 1.000 94 E CA 1.813 58.223 56.400 0.017 0.000 0.804 94 E CB -0.119 29.528 29.700 -0.087 0.000 0.740 94 E HN 0.643 nan 8.360 nan 0.000 0.454 95 H N -0.984 118.094 119.070 0.013 0.000 2.353 95 H HA 0.032 4.588 4.556 -0.000 0.000 0.300 95 H C 2.219 177.557 175.328 0.016 0.000 1.090 95 H CA 1.500 57.558 56.048 0.016 0.000 1.327 95 H CB -0.419 29.353 29.762 0.016 0.000 1.383 95 H HN 0.005 nan 8.280 nan 0.000 0.508 96 S N 0.476 116.276 115.700 0.166 0.000 2.356 96 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 96 S C 1.985 176.620 174.600 0.058 0.000 1.032 96 S CA 1.064 59.316 58.200 0.087 0.000 1.005 96 S CB -0.044 63.194 63.200 0.062 0.000 0.867 96 S HN 0.393 nan 8.310 nan 0.000 0.449 97 E N 1.500 121.729 120.200 0.048 0.000 2.049 97 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 97 E C 2.403 179.014 176.600 0.018 0.000 1.007 97 E CA 1.295 57.709 56.400 0.024 0.000 0.809 97 E CB -0.532 29.176 29.700 0.013 0.000 0.749 97 E HN 0.451 nan 8.360 nan 0.000 0.450 98 A N 1.496 124.328 122.820 0.020 0.000 1.892 98 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 98 A C 2.140 179.743 177.584 0.032 0.000 1.188 98 A CA 2.098 54.146 52.037 0.018 0.000 0.631 98 A CB -0.451 18.558 19.000 0.014 0.000 0.822 98 A HN 0.151 nan 8.150 nan 0.000 0.447 99 K N -0.707 119.720 120.400 0.045 0.000 2.001 99 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 99 K C 1.689 178.311 176.600 0.036 0.000 1.048 99 K CA 1.447 57.762 56.287 0.048 0.000 0.932 99 K CB -0.303 32.230 32.500 0.054 0.000 0.715 99 K HN 0.455 nan 8.250 nan 0.000 0.437 100 D N 0.970 121.386 120.400 0.027 0.000 2.123 100 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 100 D C 1.741 178.045 176.300 0.006 0.000 0.992 100 D CA 1.250 55.260 54.000 0.017 0.000 0.833 100 D CB -0.123 40.685 40.800 0.013 0.000 0.954 100 D HN 0.340 nan 8.370 nan 0.000 0.455 101 E N 0.813 121.013 120.200 -0.001 0.000 2.110 101 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 101 E C 2.165 178.749 176.600 -0.027 0.000 0.988 101 E CA 0.877 57.264 56.400 -0.022 0.000 0.804 101 E CB -0.048 29.635 29.700 -0.028 0.000 0.745 101 E HN 0.196 nan 8.360 nan 0.000 0.458 102 A N 2.072 124.896 122.820 0.007 0.000 1.865 102 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 102 A C 1.834 179.446 177.584 0.046 0.000 1.191 102 A CA 1.852 53.913 52.037 0.041 0.000 0.623 102 A CB -0.473 18.576 19.000 0.082 0.000 0.826 102 A HN 0.116 nan 8.150 nan 0.000 0.444 103 D N -0.489 119.935 120.400 0.039 0.000 2.104 103 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 103 D C 1.897 178.209 176.300 0.020 0.000 0.994 103 D CA 1.502 55.525 54.000 0.039 0.000 0.830 103 D CB -0.441 40.377 40.800 0.030 0.000 0.959 103 D HN 0.630 nan 8.370 nan 0.000 0.452 104 E N 0.578 120.776 120.200 -0.004 0.000 2.070 104 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 104 E C 2.069 178.645 176.600 -0.040 0.000 1.004 104 E CA 1.162 57.549 56.400 -0.022 0.000 0.805 104 E CB -0.038 29.640 29.700 -0.036 0.000 0.744 104 E HN 0.191 nan 8.360 nan 0.000 0.451 105 A N 0.887 123.657 122.820 -0.083 0.000 1.834 105 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 105 A C 2.485 180.055 177.584 -0.024 0.000 1.203 105 A CA 2.784 54.719 52.037 -0.171 0.000 0.621 105 A CB -1.491 17.238 19.000 -0.452 0.000 0.841 105 A HN 0.466 nan 8.150 nan 0.000 0.446 106 T N -2.094 112.530 114.554 0.116 0.000 2.778 106 T HA -0.289 4.061 4.350 -0.000 0.000 0.269 106 T C 1.895 176.658 174.700 0.106 0.000 1.050 106 T CA 2.030 64.255 62.100 0.209 0.000 1.137 106 T CB -0.430 68.552 68.868 0.190 0.000 0.860 106 T HN 0.585 nan 8.240 nan 0.000 0.468 107 Q N 0.438 120.273 119.800 0.058 0.000 2.172 107 Q HA 0.022 4.362 4.340 -0.000 0.000 0.200 107 Q C 2.374 178.390 176.000 0.027 0.000 0.964 107 Q CA 1.070 56.895 55.803 0.037 0.000 0.855 107 Q CB -0.072 28.679 28.738 0.022 0.000 0.918 107 Q HN 0.671 nan 8.270 nan 0.000 0.444 108 K N -0.141 120.268 120.400 0.016 0.000 2.167 108 K HA -0.182 4.138 4.320 -0.000 0.000 0.203 108 K C 2.027 178.643 176.600 0.027 0.000 1.052 108 K CA 0.983 57.275 56.287 0.007 0.000 0.956 108 K CB 0.139 32.628 32.500 -0.019 0.000 0.735 108 K HN 0.009 nan 8.250 nan 0.000 0.451 109 Q N 0.978 120.814 119.800 0.059 0.000 2.152 109 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 109 Q C 1.653 177.689 176.000 0.061 0.000 0.985 109 Q CA 2.108 57.966 55.803 0.092 0.000 0.863 109 Q CB -0.385 28.457 28.738 0.174 0.000 0.904 109 Q HN 0.397 nan 8.270 nan 0.000 0.422 110 A N 0.598 123.448 122.820 0.051 0.000 1.858 110 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 110 A C 1.999 179.598 177.584 0.024 0.000 1.190 110 A CA 1.841 53.898 52.037 0.034 0.000 0.617 110 A CB -0.542 18.476 19.000 0.030 0.000 0.827 110 A HN 0.436 nan 8.150 nan 0.000 0.443 111 K N -0.320 120.092 120.400 0.020 0.000 2.211 111 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 111 K C 1.223 177.832 176.600 0.014 0.000 1.047 111 K CA 1.371 57.666 56.287 0.013 0.000 0.935 111 K CB -0.216 32.289 32.500 0.008 0.000 0.728 111 K HN 0.443 nan 8.250 nan 0.000 0.452 112 D N 0.079 120.491 120.400 0.019 0.000 2.224 112 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 112 D C 1.460 177.774 176.300 0.022 0.000 0.965 112 D CA 1.312 55.324 54.000 0.020 0.000 0.852 112 D CB 0.131 40.946 40.800 0.025 0.000 0.947 112 D HN 0.333 nan 8.370 nan 0.000 0.494 113 T N -1.963 112.606 114.554 0.024 0.000 3.176 113 T HA 0.050 4.400 4.350 -0.000 0.000 0.263 113 T C 0.093 174.801 174.700 0.013 0.000 1.021 113 T CA -0.436 61.677 62.100 0.021 0.000 0.905 113 T CB 0.241 69.122 68.868 0.022 0.000 1.057 113 T HN -0.137 nan 8.240 nan 0.000 0.558 114 D N 1.546 121.953 120.400 0.012 0.000 2.697 114 D HA -0.131 4.509 4.640 -0.000 0.000 0.235 114 D C -0.241 176.061 176.300 0.003 0.000 1.167 114 D CA 1.056 55.060 54.000 0.007 0.000 0.656 114 D CB -0.729 40.075 40.800 0.007 0.000 1.025 114 D HN 0.615 nan 8.370 nan 0.000 0.419 115 K N -0.891 119.511 120.400 0.004 0.000 2.477 115 K HA 0.360 4.680 4.320 -0.000 0.000 0.255 115 K C 1.127 177.730 176.600 0.005 0.000 0.952 115 K CA -0.523 55.764 56.287 0.000 0.000 0.826 115 K CB 1.632 34.129 32.500 -0.005 0.000 1.331 115 K HN -0.047 nan 8.250 nan 0.000 0.437 116 S N 0.657 116.359 115.700 0.003 0.000 2.436 116 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 116 S C 0.388 174.994 174.600 0.010 0.000 1.014 116 S CA 0.601 58.805 58.200 0.006 0.000 0.950 116 S CB 0.031 63.233 63.200 0.005 0.000 0.784 116 S HN 0.417 nan 8.310 nan 0.000 0.504 117 K N 1.369 121.774 120.400 0.009 0.000 2.376 117 K HA 0.661 4.981 4.320 -0.000 0.000 0.257 117 K C -0.952 175.657 176.600 0.015 0.000 0.939 117 K CA -0.497 55.798 56.287 0.014 0.000 0.809 117 K CB 2.031 34.537 32.500 0.011 0.000 1.121 117 K HN 0.283 nan 8.250 nan 0.000 0.425 118 A N 2.247 125.083 122.820 0.026 0.000 2.440 118 A HA 0.020 4.340 4.320 -0.000 0.000 0.251 118 A C 1.035 178.632 177.584 0.022 0.000 1.089 118 A CA 0.047 52.103 52.037 0.032 0.000 0.779 118 A CB 0.691 19.725 19.000 0.056 0.000 1.022 118 A HN 0.953 nan 8.150 nan 0.000 0.492 119 Q N 1.817 121.625 119.800 0.013 0.000 2.123 119 Q HA 0.038 4.378 4.340 -0.000 0.000 0.196 119 Q C -0.111 175.893 176.000 0.006 0.000 0.958 119 Q CA 1.010 56.815 55.803 0.004 0.000 0.841 119 Q CB 0.129 28.860 28.738 -0.010 0.000 0.915 119 Q HN 0.606 nan 8.270 nan 0.000 0.455 120 V N 2.174 122.091 119.914 0.005 0.000 2.407 120 V HA 0.301 4.421 4.120 -0.000 0.000 0.278 120 V C -0.041 176.029 176.094 -0.039 0.000 1.037 120 V CA -0.324 61.955 62.300 -0.035 0.000 0.900 120 V CB 1.116 32.913 31.823 -0.044 0.000 0.983 120 V HN 0.356 nan 8.190 nan 0.000 0.459 121 T N 0.978 115.480 114.554 -0.085 0.000 2.893 121 T HA 0.591 4.941 4.350 -0.000 0.000 0.291 121 T C -0.341 174.283 174.700 -0.126 0.000 1.028 121 T CA -0.500 61.587 62.100 -0.022 0.000 0.995 121 T CB 1.484 70.373 68.868 0.034 0.000 1.051 121 T HN 0.345 nan 8.240 nan 0.000 0.470 122 Y N 1.104 121.426 120.300 0.037 0.000 2.507 122 Y HA 0.426 4.976 4.550 0.000 0.000 0.254 122 Y C 1.276 177.199 175.900 0.038 0.000 1.171 122 Y CA -0.546 57.577 58.100 0.039 0.000 1.238 122 Y CB 0.341 38.820 38.460 0.032 0.000 1.148 122 Y HN 0.894 nan 8.280 nan 0.000 0.525 123 S N -1.757 114.033 115.700 0.151 0.000 2.546 123 S HA 0.493 4.963 4.470 -0.000 0.000 0.274 123 S C -0.734 173.908 174.600 0.071 0.000 1.121 123 S CA -0.891 57.372 58.200 0.105 0.000 0.887 123 S CB 1.987 65.245 63.200 0.097 0.000 1.094 123 S HN 0.217 nan 8.310 nan 0.000 0.474 124 D N 0.391 120.826 120.400 0.059 0.000 2.718 124 D HA -0.115 4.525 4.640 -0.000 0.000 0.242 124 D C 0.243 176.568 176.300 0.043 0.000 1.123 124 D CA 1.692 55.720 54.000 0.046 0.000 0.690 124 D CB -1.507 39.319 40.800 0.043 0.000 1.059 124 D HN 0.973 nan 8.370 nan 0.000 0.429 125 T N -4.646 109.934 114.554 0.044 0.000 2.902 125 T HA 0.583 4.933 4.350 -0.000 0.000 0.280 125 T C 1.825 176.544 174.700 0.032 0.000 0.992 125 T CA -0.379 61.745 62.100 0.041 0.000 1.015 125 T CB 1.840 70.734 68.868 0.043 0.000 1.044 125 T HN 0.074 nan 8.240 nan 0.000 0.520 126 G N 0.385 109.201 108.800 0.026 0.000 2.450 126 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.220 126 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.220 126 G C 0.551 175.450 174.900 -0.002 0.000 1.130 126 G CA 0.216 45.310 45.100 -0.011 0.000 0.760 126 G HN 0.681 nan 8.290 nan 0.000 0.557 127 I N 0.820 121.405 120.570 0.024 0.000 2.710 127 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 127 I C 0.332 176.470 176.117 0.034 0.000 1.181 127 I CA -0.433 60.887 61.300 0.034 0.000 1.430 127 I CB 1.015 39.048 38.000 0.054 0.000 1.367 127 I HN 0.018 nan 8.210 nan 0.000 0.577 128 N N 5.365 124.085 118.700 0.033 0.000 2.767 128 N HA 0.116 4.856 4.740 -0.000 0.000 0.238 128 N C -0.139 175.400 175.510 0.049 0.000 1.083 128 N CA 0.107 53.178 53.050 0.036 0.000 0.964 128 N CB -0.154 38.349 38.487 0.027 0.000 1.252 128 N HN 0.545 nan 8.380 nan 0.000 0.512 129 N N 2.225 120.958 118.700 0.055 0.000 2.802 129 N HA 0.121 4.861 4.740 -0.000 0.000 0.288 129 N C 0.780 176.330 175.510 0.067 0.000 1.268 129 N CA -0.249 52.838 53.050 0.061 0.000 1.035 129 N CB 0.289 38.815 38.487 0.065 0.000 1.353 129 N HN 0.595 nan 8.380 nan 0.000 0.522 130 A N 0.478 123.340 122.820 0.069 0.000 2.070 130 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 130 A C 1.757 179.419 177.584 0.129 0.000 1.159 130 A CA 1.048 53.140 52.037 0.090 0.000 0.656 130 A CB 0.014 19.057 19.000 0.072 0.000 0.800 130 A HN 0.441 nan 8.150 nan 0.000 0.453 131 N N -0.301 118.452 118.700 0.089 0.000 2.325 131 N HA 0.011 4.751 4.740 -0.000 0.000 0.182 131 N C 0.425 175.927 175.510 -0.012 0.000 1.088 131 N CA 0.058 53.151 53.050 0.071 0.000 0.879 131 N CB 0.014 38.533 38.487 0.053 0.000 0.983 131 N HN 0.747 nan 8.380 nan 0.000 0.471 132 E N 1.450 121.652 120.200 0.004 0.000 2.608 132 E HA -0.054 4.296 4.350 -0.000 0.000 0.259 132 E C -0.691 175.843 176.600 -0.110 0.000 0.951 132 E CA 0.455 56.840 56.400 -0.023 0.000 0.945 132 E CB 0.376 30.088 29.700 0.020 0.000 0.916 132 E HN 0.131 nan 8.360 nan 0.000 0.477 133 L N 3.493 124.650 121.223 -0.111 0.000 2.362 133 L HA 0.410 4.750 4.340 -0.000 0.000 0.271 133 L C -0.154 176.674 176.870 -0.070 0.000 1.002 133 L CA -0.825 53.925 54.840 -0.149 0.000 0.818 133 L CB 2.004 43.965 42.059 -0.163 0.000 1.298 133 L HN 0.460 nan 8.230 nan 0.000 0.420 134 S N 2.068 117.733 115.700 -0.059 0.000 2.536 134 S HA 0.521 4.991 4.470 -0.000 0.000 0.298 134 S C -0.463 174.120 174.600 -0.028 0.000 1.083 134 S CA -0.811 57.370 58.200 -0.032 0.000 0.995 134 S CB 1.735 64.923 63.200 -0.019 0.000 1.058 134 S HN 0.600 nan 8.310 nan 0.000 0.488 135 R N 1.930 122.416 120.500 -0.024 0.000 2.489 135 R HA 0.336 4.676 4.340 -0.000 0.000 0.287 135 R C -0.085 176.206 176.300 -0.015 0.000 1.053 135 R CA 0.192 56.280 56.100 -0.020 0.000 1.036 135 R CB 0.608 30.895 30.300 -0.022 0.000 0.966 135 R HN 0.734 nan 8.270 nan 0.000 0.432 136 S N 0.731 116.426 115.700 -0.009 0.000 2.595 136 S HA 0.392 4.862 4.470 -0.000 0.000 0.281 136 S C 0.571 175.170 174.600 -0.002 0.000 1.117 136 S CA -0.650 57.548 58.200 -0.003 0.000 0.873 136 S CB 2.020 65.223 63.200 0.006 0.000 1.108 136 S HN 0.621 nan 8.310 nan 0.000 0.477 137 G N 0.695 109.494 108.800 -0.001 0.000 3.279 137 G HA2 0.042 4.002 3.960 -0.000 0.000 0.230 137 G HA3 0.042 4.002 3.960 -0.000 0.000 0.230 137 G C 0.722 175.625 174.900 0.005 0.000 1.230 137 G CA -0.096 45.004 45.100 -0.000 0.000 0.891 137 G HN 0.837 nan 8.290 nan 0.000 0.518 138 N N -0.366 118.338 118.700 0.008 0.000 2.376 138 N HA -0.010 4.730 4.740 -0.000 0.000 0.177 138 N C 0.747 176.265 175.510 0.013 0.000 1.024 138 N CA 0.384 53.441 53.050 0.012 0.000 0.893 138 N CB 0.310 38.808 38.487 0.019 0.000 0.980 138 N HN 0.201 nan 8.380 nan 0.000 0.439 139 V N -0.051 119.870 119.914 0.011 0.000 2.815 139 V HA 0.448 4.568 4.120 -0.000 0.000 0.314 139 V C -0.538 175.562 176.094 0.010 0.000 1.064 139 V CA -1.015 61.292 62.300 0.012 0.000 0.952 139 V CB 1.662 33.493 31.823 0.013 0.000 1.020 139 V HN 0.085 nan 8.190 nan 0.000 0.439 140 D N 1.654 122.061 120.400 0.012 0.000 2.496 140 D HA 0.253 4.893 4.640 -0.000 0.000 0.283 140 D C 0.577 176.886 176.300 0.014 0.000 1.214 140 D CA -0.521 53.487 54.000 0.013 0.000 1.089 140 D CB 0.194 41.003 40.800 0.015 0.000 1.141 140 D HN 0.449 nan 8.370 nan 0.000 0.580 141 N N -0.777 117.934 118.700 0.017 0.000 2.412 141 N HA -0.031 4.709 4.740 -0.000 0.000 0.184 141 N C 0.150 175.670 175.510 0.016 0.000 1.101 141 N CA 0.259 53.320 53.050 0.018 0.000 0.881 141 N CB 0.502 39.004 38.487 0.026 0.000 0.969 141 N HN 0.407 nan 8.380 nan 0.000 0.459 142 E N 0.058 120.267 120.200 0.015 0.000 2.499 142 E HA 0.136 4.486 4.350 -0.000 0.000 0.199 142 E C 0.723 177.329 176.600 0.011 0.000 1.016 142 E CA -0.324 56.084 56.400 0.012 0.000 0.933 142 E CB 0.384 30.090 29.700 0.011 0.000 1.050 142 E HN 0.329 nan 8.360 nan 0.000 0.462 143 G N 1.100 109.907 108.800 0.012 0.000 2.160 143 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 143 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 143 G C 0.570 175.478 174.900 0.012 0.000 1.008 143 G CA 0.243 45.350 45.100 0.012 0.000 0.724 143 G HN 0.467 nan 8.290 nan 0.000 0.514 144 G N -1.023 107.784 108.800 0.012 0.000 2.521 144 G HA2 0.651 4.611 3.960 -0.000 0.000 0.323 144 G HA3 0.651 4.611 3.960 -0.000 0.000 0.323 144 G C 0.010 174.917 174.900 0.012 0.000 1.211 144 G CA 0.519 45.626 45.100 0.011 0.000 0.979 144 G HN 1.052 nan 8.290 nan 0.000 0.490 145 S N -1.127 114.580 115.700 0.011 0.000 2.475 145 S HA 0.156 4.626 4.470 -0.000 0.000 0.281 145 S C 0.626 175.232 174.600 0.010 0.000 1.198 145 S CA -0.654 57.553 58.200 0.012 0.000 1.063 145 S CB 0.419 63.626 63.200 0.011 0.000 0.972 145 S HN 0.457 nan 8.310 nan 0.000 0.486 146 N N 3.536 122.242 118.700 0.010 0.000 2.466 146 N HA 0.063 4.803 4.740 -0.000 0.000 0.211 146 N C 1.533 177.048 175.510 0.008 0.000 1.256 146 N CA -0.061 52.995 53.050 0.009 0.000 0.840 146 N CB 0.104 38.596 38.487 0.009 0.000 1.079 146 N HN 0.574 nan 8.380 nan 0.000 0.466 147 Q N 0.443 120.248 119.800 0.008 0.000 2.197 147 Q HA -0.113 4.227 4.340 -0.000 0.000 0.207 147 Q C 0.200 176.204 176.000 0.006 0.000 0.984 147 Q CA 1.251 57.058 55.803 0.007 0.000 0.869 147 Q CB 0.182 28.924 28.738 0.006 0.000 0.906 147 Q HN 0.327 nan 8.270 nan 0.000 0.426 148 K N 0.454 120.858 120.400 0.006 0.000 2.507 148 K HA 0.346 4.666 4.320 -0.000 0.000 0.252 148 K C -2.708 173.896 176.600 0.007 0.000 0.943 148 K CA -2.191 54.099 56.287 0.006 0.000 0.808 148 K CB 2.046 34.549 32.500 0.005 0.000 1.142 148 K HN -0.242 nan 8.250 nan 0.000 0.426 149 P HA -0.077 nan 4.420 nan 0.000 0.265 149 P C 0.823 178.130 177.300 0.013 0.000 1.187 149 P CA -0.188 62.919 63.100 0.010 0.000 0.766 149 P CB 0.441 32.148 31.700 0.010 0.000 0.820 150 M N 2.593 122.203 119.600 0.016 0.000 2.108 150 M HA -0.187 4.293 4.480 -0.000 0.000 0.257 150 M C 1.985 178.297 176.300 0.019 0.000 1.071 150 M CA 2.481 57.792 55.300 0.018 0.000 1.093 150 M CB -1.819 30.796 32.600 0.024 0.000 1.345 150 M HN 0.480 nan 8.290 nan 0.000 0.403 151 S N -1.415 114.299 115.700 0.022 0.000 2.368 151 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 151 S C 1.909 176.518 174.600 0.016 0.000 1.030 151 S CA 1.962 60.176 58.200 0.023 0.000 0.999 151 S CB -0.890 62.326 63.200 0.027 0.000 0.844 151 S HN 0.491 nan 8.310 nan 0.000 0.459 152 T N 2.228 116.790 114.554 0.013 0.000 2.788 152 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 152 T C 2.008 176.712 174.700 0.006 0.000 1.044 152 T CA 1.434 63.540 62.100 0.009 0.000 1.139 152 T CB -0.246 68.626 68.868 0.008 0.000 0.867 152 T HN 0.497 nan 8.240 nan 0.000 0.454 153 R N 0.600 121.104 120.500 0.007 0.000 2.070 153 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 153 R C 2.471 178.772 176.300 0.002 0.000 1.138 153 R CA 1.355 57.457 56.100 0.004 0.000 0.936 153 R CB -0.623 29.680 30.300 0.005 0.000 0.839 153 R HN 0.358 nan 8.270 nan 0.000 0.429 154 I N 1.088 121.661 120.570 0.004 0.000 2.185 154 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 154 I C 2.664 178.780 176.117 -0.001 0.000 1.088 154 I CA 1.471 62.772 61.300 0.002 0.000 1.347 154 I CB -0.579 37.425 38.000 0.006 0.000 1.041 154 I HN 0.270 nan 8.210 nan 0.000 0.415 155 A N 0.776 123.597 122.820 0.002 0.000 1.835 155 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 155 A C 2.225 179.807 177.584 -0.003 0.000 1.199 155 A CA 1.770 53.808 52.037 0.001 0.000 0.615 155 A CB -0.778 18.224 19.000 0.004 0.000 0.838 155 A HN 0.437 nan 8.150 nan 0.000 0.444 156 E N -0.198 120.000 120.200 -0.003 0.000 2.114 156 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 156 E C 2.236 178.830 176.600 -0.009 0.000 1.008 156 E CA 1.125 57.522 56.400 -0.005 0.000 0.810 156 E CB -0.366 29.332 29.700 -0.004 0.000 0.739 156 E HN 0.618 nan 8.360 nan 0.000 0.456 157 A N 1.167 123.981 122.820 -0.009 0.000 1.972 157 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 157 A C 2.428 180.001 177.584 -0.018 0.000 1.169 157 A CA 2.130 54.159 52.037 -0.014 0.000 0.635 157 A CB -0.806 18.186 19.000 -0.012 0.000 0.810 157 A HN 0.420 nan 8.150 nan 0.000 0.446 158 T N -4.437 110.107 114.554 -0.018 0.000 3.054 158 T HA 0.045 4.395 4.350 -0.000 0.000 0.259 158 T C 1.711 176.397 174.700 -0.023 0.000 1.092 158 T CA 1.244 63.330 62.100 -0.023 0.000 1.121 158 T CB -0.243 68.612 68.868 -0.022 0.000 0.912 158 T HN 0.191 nan 8.240 nan 0.000 0.489 159 S N 1.219 116.908 115.700 -0.017 0.000 2.547 159 S HA 0.300 4.770 4.470 -0.000 0.000 0.235 159 S C 2.015 176.603 174.600 -0.020 0.000 0.980 159 S CA 0.610 58.801 58.200 -0.016 0.000 0.941 159 S CB -0.374 62.820 63.200 -0.010 0.000 0.763 159 S HN 0.781 nan 8.310 nan 0.000 0.532 160 A N -0.108 122.698 122.820 -0.024 0.000 2.303 160 A HA 0.363 4.683 4.320 -0.000 0.000 0.217 160 A C 1.451 179.013 177.584 -0.037 0.000 1.205 160 A CA 0.025 52.045 52.037 -0.028 0.000 0.875 160 A CB -0.016 18.968 19.000 -0.026 0.000 0.910 160 A HN 0.417 nan 8.150 nan 0.000 0.501 161 I N 0.043 120.589 120.570 -0.040 0.000 3.956 161 I HA 0.160 4.330 4.170 -0.000 0.000 0.333 161 I C 0.180 176.263 176.117 -0.057 0.000 1.302 161 I CA 0.001 61.270 61.300 -0.052 0.000 1.122 161 I CB 0.412 38.380 38.000 -0.053 0.000 1.013 161 I HN 0.006 nan 8.210 nan 0.000 0.405 162 V N 1.265 121.152 119.914 -0.046 0.000 2.881 162 V HA 0.457 4.577 4.120 -0.000 0.000 0.303 162 V C 0.461 176.525 176.094 -0.050 0.000 1.070 162 V CA -0.188 62.085 62.300 -0.045 0.000 1.074 162 V CB 0.936 32.741 31.823 -0.029 0.000 1.012 162 V HN 0.475 nan 8.190 nan 0.000 0.482 163 S N 2.904 118.570 115.700 -0.057 0.000 2.595 163 S HA 0.811 5.281 4.470 -0.000 0.000 0.281 163 S C -1.012 173.555 174.600 -0.056 0.000 1.117 163 S CA -1.149 57.016 58.200 -0.058 0.000 0.873 163 S CB 2.372 65.523 63.200 -0.082 0.000 1.108 163 S HN 0.648 nan 8.310 nan 0.000 0.477 164 K N -0.022 120.356 120.400 -0.036 0.000 2.395 164 K HA 0.513 4.833 4.320 -0.000 0.000 0.245 164 K C -1.334 175.257 176.600 -0.016 0.000 1.017 164 K CA -0.962 55.318 56.287 -0.010 0.000 0.852 164 K CB 0.750 33.287 32.500 0.062 0.000 1.311 164 K HN 0.687 nan 8.250 nan 0.000 0.452 165 H N 1.359 120.444 119.070 0.025 0.000 2.815 165 H HA 0.091 4.647 4.556 -0.000 0.000 0.350 165 H C -1.858 173.489 175.328 0.032 0.000 1.080 165 H CA -0.698 55.369 56.048 0.032 0.000 1.433 165 H CB -0.259 29.521 29.762 0.030 0.000 1.432 165 H HN 0.333 nan 8.280 nan 0.000 0.592 166 P HA 0.240 nan 4.420 nan 0.000 0.276 166 P C -0.178 177.177 177.300 0.091 0.000 1.252 166 P CA -0.670 62.492 63.100 0.103 0.000 0.802 166 P CB 0.821 32.576 31.700 0.092 0.000 1.035 182 Q N 0.674 120.528 119.800 0.090 0.000 2.503 182 Q HA 0.412 4.752 4.340 -0.000 0.000 0.268 182 Q C -1.914 174.132 176.000 0.076 0.000 0.982 182 Q CA -0.468 55.336 55.803 0.001 0.000 0.907 182 Q CB 2.537 31.242 28.738 -0.054 0.000 1.467 182 Q HN 0.881 nan 8.270 nan 0.000 0.394 183 C N 3.643 122.958 119.300 0.026 0.000 2.291 183 C HA 0.485 4.945 4.460 -0.000 0.000 0.322 183 C C 0.687 175.695 174.990 0.029 0.000 1.205 183 C CA -0.236 58.859 59.018 0.129 0.000 1.495 183 C CB -0.776 27.113 27.740 0.249 0.000 2.127 183 C HN 0.907 nan 8.230 nan 0.000 0.452 184 H N 2.616 121.705 119.070 0.032 0.000 2.563 184 H HA 0.016 4.572 4.556 -0.000 0.000 0.272 184 H C 1.635 176.946 175.328 -0.029 0.000 1.005 184 H CA 1.020 57.069 56.048 0.001 0.000 1.171 184 H CB 0.189 29.949 29.762 -0.004 0.000 1.351 184 H HN 0.576 nan 8.280 nan 0.000 0.602 185 V N -0.496 119.439 119.914 0.035 0.000 2.300 185 V HA -0.180 3.940 4.120 -0.000 0.000 0.241 185 V C 2.267 178.263 176.094 -0.162 0.000 1.034 185 V CA 1.687 63.913 62.300 -0.124 0.000 1.021 185 V CB -0.177 31.449 31.823 -0.328 0.000 0.662 185 V HN 0.765 nan 8.190 nan 0.000 0.458 186 C N -0.410 118.833 119.300 -0.094 0.000 3.183 186 C HA 0.486 4.946 4.460 -0.000 0.000 0.285 186 C C 1.865 176.860 174.990 0.009 0.000 1.313 186 C CA -0.049 58.957 59.018 -0.020 0.000 1.711 186 C CB -0.172 27.639 27.740 0.118 0.000 2.135 186 C HN 0.980 nan 8.230 nan 0.000 0.651 187 S N -0.528 115.163 115.700 -0.015 0.000 3.171 187 S HA -0.158 4.312 4.470 -0.000 0.000 0.279 187 S C 0.153 174.720 174.600 -0.054 0.000 1.294 187 S CA 0.817 58.974 58.200 -0.071 0.000 1.077 187 S CB -2.617 60.535 63.200 -0.079 0.000 1.298 187 S HN 2.326 nan 8.310 nan 0.000 0.666 188 A N 0.929 123.749 122.820 0.001 0.000 2.425 188 A HA 0.651 4.971 4.320 -0.000 0.000 0.249 188 A C 0.468 177.989 177.584 -0.105 0.000 1.084 188 A CA 0.259 52.271 52.037 -0.042 0.000 0.781 188 A CB 0.750 19.723 19.000 -0.046 0.000 1.019 188 A HN 1.215 nan 8.150 nan 0.000 0.490 189 V N 3.673 123.505 119.914 -0.137 0.000 2.481 189 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 189 V C 0.311 176.211 176.094 -0.323 0.000 1.042 189 V CA -0.044 62.125 62.300 -0.219 0.000 0.928 189 V CB 0.920 32.600 31.823 -0.240 0.000 0.986 189 V HN 0.787 nan 8.190 nan 0.000 0.462 190 L N 2.851 123.854 121.223 -0.367 0.000 2.267 190 L HA 0.606 4.946 4.340 -0.000 0.000 0.264 190 L C -0.087 176.398 176.870 -0.642 0.000 1.021 190 L CA -0.309 54.314 54.840 -0.361 0.000 0.861 190 L CB 1.681 43.636 42.059 -0.174 0.000 1.443 190 L HN 0.530 nan 8.230 nan 0.000 0.475 191 F N -1.782 118.128 119.950 -0.066 0.000 2.876 191 F HA 0.228 4.755 4.527 0.000 0.000 0.344 191 F C 0.721 176.345 175.800 -0.293 0.000 1.029 191 F CA -0.165 57.834 58.000 -0.001 0.000 1.154 191 F CB 0.751 39.753 39.000 0.003 0.000 1.040 191 F HN 0.291 nan 8.300 nan 0.000 0.576 192 S N 1.920 117.343 115.700 -0.460 0.000 2.503 192 S HA 0.388 4.858 4.470 -0.000 0.000 0.301 192 S C -1.810 172.168 174.600 -1.037 0.000 1.087 192 S CA -1.823 56.003 58.200 -0.624 0.000 1.042 192 S CB 1.611 64.681 63.200 -0.216 0.000 1.043 192 S HN -0.159 nan 8.310 nan 0.000 0.489 193 P HA -0.079 nan 4.420 nan 0.000 0.217 193 P C 1.608 178.814 177.300 -0.158 0.000 1.150 193 P CA 0.636 63.562 63.100 -0.290 0.000 0.832 193 P CB 0.048 31.814 31.700 0.111 0.000 0.787 194 L N 0.792 121.928 121.223 -0.145 0.000 2.109 194 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 194 L C 1.586 178.401 176.870 -0.092 0.000 1.086 194 L CA 2.062 56.852 54.840 -0.084 0.000 0.760 194 L CB -1.655 40.367 42.059 -0.063 0.000 0.910 194 L HN -0.238 nan 8.230 nan 0.000 0.437 195 D N -0.792 119.525 120.400 -0.139 0.000 2.263 195 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 195 D C 1.968 178.239 176.300 -0.048 0.000 0.971 195 D CA 0.983 54.926 54.000 -0.096 0.000 0.867 195 D CB 0.015 40.751 40.800 -0.107 0.000 0.929 195 D HN 0.317 nan 8.370 nan 0.000 0.492 196 L N 0.570 121.747 121.223 -0.075 0.000 2.022 196 L HA -0.044 4.296 4.340 -0.000 0.000 0.204 196 L C 1.362 178.268 176.870 0.061 0.000 1.076 196 L CA 1.739 56.603 54.840 0.041 0.000 0.749 196 L CB -0.676 41.416 42.059 0.055 0.000 0.903 196 L HN -0.159 nan 8.230 nan 0.000 0.439 197 D N 0.362 120.768 120.400 0.010 0.000 2.116 197 D HA -0.236 4.404 4.640 -0.000 0.000 0.193 197 D C 2.153 178.421 176.300 -0.053 0.000 0.998 197 D CA 1.754 55.744 54.000 -0.017 0.000 0.836 197 D CB -0.380 40.405 40.800 -0.024 0.000 0.951 197 D HN 0.494 nan 8.370 nan 0.000 0.449 198 A N 0.545 123.339 122.820 -0.044 0.000 1.908 198 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 198 A C 2.076 179.634 177.584 -0.043 0.000 1.181 198 A CA 2.267 54.268 52.037 -0.061 0.000 0.627 198 A CB -0.893 18.076 19.000 -0.052 0.000 0.818 198 A HN 0.388 nan 8.150 nan 0.000 0.445 199 H N 0.456 119.472 119.070 -0.091 0.000 2.256 199 H HA -0.095 4.461 4.556 -0.000 0.000 0.301 199 H C 2.040 177.303 175.328 -0.109 0.000 1.062 199 H CA 2.946 58.944 56.048 -0.084 0.000 1.283 199 H CB -0.790 28.951 29.762 -0.035 0.000 1.379 199 H HN 0.338 nan 8.280 nan 0.000 0.493 200 V N -0.365 119.338 119.914 -0.352 0.000 2.613 200 V HA -0.286 3.834 4.120 -0.000 0.000 0.259 200 V C 2.408 178.334 176.094 -0.281 0.000 1.099 200 V CA 1.998 64.110 62.300 -0.313 0.000 1.115 200 V CB -1.969 29.839 31.823 -0.024 0.000 0.686 200 V HN 0.634 nan 8.190 nan 0.000 0.481 201 A N 0.592 123.258 122.820 -0.257 0.000 2.032 201 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 201 A C 2.382 179.841 177.584 -0.208 0.000 1.165 201 A CA 2.278 54.183 52.037 -0.220 0.000 0.645 201 A CB -0.956 17.901 19.000 -0.238 0.000 0.807 201 A HN 0.697 nan 8.150 nan 0.000 0.453 202 S N -0.699 114.781 115.700 -0.368 0.000 2.507 202 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 202 S C 1.306 175.680 174.600 -0.376 0.000 0.988 202 S CA 0.929 58.898 58.200 -0.385 0.000 0.944 202 S CB -0.349 62.553 63.200 -0.496 0.000 0.762 202 S HN 0.772 nan 8.310 nan 0.000 0.526 203 H N -0.550 118.471 119.070 -0.082 0.000 2.705 203 H HA 0.334 4.890 4.556 0.000 0.000 0.269 203 H C 1.852 177.208 175.328 0.047 0.000 0.998 203 H CA 0.604 56.645 56.048 -0.012 0.000 1.193 203 H CB 0.424 30.165 29.762 -0.034 0.000 1.485 203 H HN 0.492 nan 8.280 nan 0.000 0.521 204 G N 0.617 109.484 108.800 0.111 0.000 2.284 204 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 204 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 204 G C 0.111 175.090 174.900 0.132 0.000 1.009 204 G CA -0.198 44.983 45.100 0.134 0.000 0.625 204 G HN 0.105 nan 8.290 nan 0.000 0.501 205 L N 2.456 123.744 121.223 0.108 0.000 2.499 205 L HA 0.327 4.667 4.340 -0.000 0.000 0.273 205 L C 1.021 177.940 176.870 0.081 0.000 1.195 205 L CA 0.304 55.200 54.840 0.094 0.000 0.882 205 L CB -0.112 41.992 42.059 0.075 0.000 1.133 205 L HN 0.310 nan 8.230 nan 0.000 0.483 206 H N 1.353 120.434 119.070 0.018 0.000 2.508 206 H HA 0.233 4.789 4.556 -0.000 0.000 0.344 206 H C 0.316 175.649 175.328 0.008 0.000 1.192 206 H CA -0.269 55.785 56.048 0.010 0.000 1.290 206 H CB 1.754 31.523 29.762 0.012 0.000 1.571 206 H HN 0.732 nan 8.280 nan 0.000 0.555 207 G N 3.154 111.821 108.800 -0.222 0.000 2.151 207 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.269 207 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.269 207 G C 0.095 175.016 174.900 0.035 0.000 1.069 207 G CA -0.135 44.916 45.100 -0.080 0.000 1.080 207 G HN 0.578 nan 8.290 nan 0.000 0.405 216 I N 2.657 122.862 120.570 -0.607 0.000 2.569 216 I HA 0.262 4.432 4.170 -0.000 0.000 0.296 216 I C 1.470 177.450 176.117 -0.227 0.000 1.028 216 I CA -0.925 60.189 61.300 -0.310 0.000 1.082 216 I CB 1.812 39.687 38.000 -0.208 0.000 1.264 216 I HN 0.475 nan 8.210 nan 0.000 0.429 217 Q N 3.487 123.231 119.800 -0.093 0.000 2.389 217 Q HA -0.177 4.163 4.340 -0.000 0.000 0.213 217 Q C 1.785 177.799 176.000 0.024 0.000 0.989 217 Q CA 1.687 57.477 55.803 -0.021 0.000 0.891 217 Q CB -0.037 28.704 28.738 0.005 0.000 0.923 217 Q HN 0.558 nan 8.270 nan 0.000 0.455 218 R N -0.944 119.570 120.500 0.023 0.000 2.200 218 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 218 R C 0.494 176.909 176.300 0.192 0.000 1.127 218 R CA 0.445 56.599 56.100 0.091 0.000 0.989 218 R CB -0.277 30.081 30.300 0.097 0.000 0.869 218 R HN 0.460 nan 8.270 nan 0.000 0.459 219 H N -0.176 118.899 119.070 0.007 0.000 2.683 219 H HA 0.089 4.645 4.556 -0.000 0.000 0.339 219 H C 1.057 176.389 175.328 0.007 0.000 1.081 219 H CA -0.242 55.811 56.048 0.009 0.000 1.432 219 H CB 1.107 30.879 29.762 0.017 0.000 1.462 219 H HN 0.053 nan 8.280 nan 0.000 0.557 220 I N 0.941 121.568 120.570 0.095 0.000 4.124 220 I HA 0.038 4.208 4.170 -0.000 0.000 0.311 220 I C 0.251 176.376 176.117 0.013 0.000 1.259 220 I CA 0.571 61.898 61.300 0.044 0.000 1.315 220 I CB 1.060 39.074 38.000 0.024 0.000 1.223 220 I HN 0.395 nan 8.210 nan 0.000 0.441 221 T N 2.134 116.695 114.554 0.012 0.000 3.011 221 T HA 0.335 4.685 4.350 -0.000 0.000 0.303 221 T C -0.871 173.885 174.700 0.092 0.000 0.997 221 T CA -0.411 61.721 62.100 0.053 0.000 1.007 221 T CB 1.681 70.560 68.868 0.017 0.000 1.017 221 T HN 0.047 nan 8.240 nan 0.000 0.443 222 E N 3.047 123.356 120.200 0.181 0.000 2.207 222 E HA 0.381 4.731 4.350 -0.000 0.000 0.250 222 E C -1.093 175.691 176.600 0.306 0.000 0.890 222 E CA -0.480 56.035 56.400 0.191 0.000 0.749 222 E CB 1.121 30.920 29.700 0.166 0.000 1.193 222 E HN 0.333 nan 8.360 nan 0.000 0.423 223 F N 2.315 122.299 119.950 0.057 0.000 2.432 223 F HA 0.592 5.119 4.527 0.000 0.000 0.329 223 F C 0.144 176.065 175.800 0.202 0.000 1.076 223 F CA -1.113 56.964 58.000 0.128 0.000 1.018 223 F CB 1.286 40.330 39.000 0.074 0.000 1.201 223 F HN 0.319 nan 8.300 nan 0.000 0.489 224 I N 1.725 122.515 120.570 0.366 0.000 2.667 224 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 224 I C -1.217 174.875 176.117 -0.041 0.000 1.267 224 I CA -0.128 61.297 61.300 0.209 0.000 1.055 224 I CB 1.523 39.580 38.000 0.095 0.000 1.294 224 I HN 0.498 nan 8.210 nan 0.000 0.429 225 S N 3.535 118.951 115.700 -0.473 0.000 2.610 225 S HA 0.350 4.820 4.470 -0.000 0.000 0.273 225 S C 1.109 175.321 174.600 -0.647 0.000 1.274 225 S CA 0.230 57.807 58.200 -1.037 0.000 1.023 225 S CB 1.488 63.414 63.200 -2.124 0.000 0.962 225 S HN 0.773 nan 8.310 nan 0.000 0.523 226 S N 2.563 117.951 115.700 -0.520 0.000 2.486 226 S HA 0.020 4.490 4.470 -0.000 0.000 0.220 226 S C 1.273 175.804 174.600 -0.116 0.000 1.011 226 S CA 0.184 58.271 58.200 -0.188 0.000 0.921 226 S CB -0.537 62.670 63.200 0.013 0.000 0.785 226 S HN 0.972 nan 8.310 nan 0.000 0.517 227 W N 2.735 123.930 121.300 -0.175 0.000 3.290 227 W HA 0.463 5.123 4.660 0.000 0.000 0.287 227 W C 0.417 176.813 176.519 -0.205 0.000 1.288 227 W CA -0.317 56.905 57.345 -0.204 0.000 1.725 227 W CB -0.248 29.048 29.460 -0.272 0.000 1.103 227 W HN 0.422 nan 8.180 nan 0.000 0.670 228 Q N 0.269 119.772 119.800 -0.495 0.000 2.482 228 Q HA 0.227 4.567 4.340 -0.000 0.000 0.286 228 Q C -1.510 174.371 176.000 -0.198 0.000 1.007 228 Q CA -0.861 54.791 55.803 -0.251 0.000 0.801 228 Q CB 1.060 29.681 28.738 -0.194 0.000 1.455 228 Q HN 0.202 nan 8.270 nan 0.000 0.398 229 N N 1.181 119.858 118.700 -0.038 0.000 2.719 229 N HA 0.078 4.818 4.740 -0.000 0.000 0.243 229 N C -1.325 174.229 175.510 0.074 0.000 1.104 229 N CA 0.003 53.048 53.050 -0.009 0.000 0.981 229 N CB 0.314 38.807 38.487 0.011 0.000 1.290 229 N HN 0.578 nan 8.380 nan 0.000 0.513 230 H N 3.711 122.753 119.070 -0.046 0.000 2.888 230 H HA 0.220 4.776 4.556 -0.000 0.000 0.280 230 H C -2.890 172.510 175.328 0.119 0.000 1.431 230 H CA -1.104 54.969 56.048 0.041 0.000 1.573 230 H CB 1.083 30.885 29.762 0.066 0.000 1.924 230 H HN 0.482 nan 8.280 nan 0.000 0.645 231 P HA 0.315 nan 4.420 nan 0.000 0.274 231 P C -0.260 177.174 177.300 0.224 0.000 1.237 231 P CA -0.379 62.854 63.100 0.222 0.000 0.793 231 P CB 1.925 33.688 31.700 0.105 0.000 0.977 232 I N 1.359 122.047 120.570 0.197 0.000 2.500 232 I HA 0.245 4.415 4.170 -0.000 0.000 0.286 232 I C -0.047 176.073 176.117 0.004 0.000 1.063 232 I CA -1.114 60.227 61.300 0.068 0.000 1.062 232 I CB 2.220 40.194 38.000 -0.043 0.000 1.223 232 I HN 0.126 nan 8.210 nan 0.000 0.435 233 V N 2.495 122.360 119.914 -0.081 0.000 2.628 233 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 233 V C -0.620 175.360 176.094 -0.191 0.000 1.045 233 V CA -0.560 61.630 62.300 -0.184 0.000 0.905 233 V CB 1.807 33.359 31.823 -0.452 0.000 0.997 233 V HN 0.753 nan 8.190 nan 0.000 0.436 234 Q N 1.938 121.639 119.800 -0.166 0.000 2.245 234 Q HA 0.787 5.127 4.340 -0.000 0.000 0.256 234 Q C -0.684 175.255 176.000 -0.102 0.000 0.942 234 Q CA -0.709 55.019 55.803 -0.125 0.000 0.896 234 Q CB 2.287 30.965 28.738 -0.101 0.000 1.272 234 Q HN 1.029 nan 8.270 nan 0.000 0.442 235 V N -1.321 118.544 119.914 -0.081 0.000 3.102 235 V HA 0.575 4.695 4.120 -0.000 0.000 0.312 235 V C -0.200 175.861 176.094 -0.055 0.000 1.135 235 V CA -1.127 61.151 62.300 -0.036 0.000 1.022 235 V CB 1.748 33.565 31.823 -0.010 0.000 1.056 235 V HN 0.742 nan 8.190 nan 0.000 0.436 236 S N 1.332 117.014 115.700 -0.030 0.000 2.546 236 S HA 0.361 4.831 4.470 -0.000 0.000 0.290 236 S C 1.480 176.037 174.600 -0.072 0.000 1.290 236 S CA 0.194 58.367 58.200 -0.044 0.000 1.069 236 S CB 0.759 63.949 63.200 -0.016 0.000 0.846 236 S HN 1.847 nan 8.310 nan 0.000 0.495 237 A N 4.132 126.884 122.820 -0.114 0.000 2.125 237 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 237 A C 1.519 179.066 177.584 -0.060 0.000 1.156 237 A CA 1.406 53.361 52.037 -0.138 0.000 0.671 237 A CB -0.338 18.543 19.000 -0.198 0.000 0.794 237 A HN 0.891 nan 8.150 nan 0.000 0.459 238 D N -0.664 119.716 120.400 -0.033 0.000 2.349 238 D HA 0.086 4.726 4.640 -0.000 0.000 0.224 238 D C 0.685 176.985 176.300 -0.001 0.000 1.029 238 D CA 0.144 54.140 54.000 -0.007 0.000 0.879 238 D CB -0.057 40.748 40.800 0.007 0.000 0.906 238 D HN 0.250 nan 8.370 nan 0.000 0.528 239 V N 1.064 120.974 119.914 -0.008 0.000 3.133 239 V HA -0.041 4.079 4.120 -0.000 0.000 0.305 239 V C 0.784 176.877 176.094 -0.001 0.000 1.084 239 V CA 0.116 62.417 62.300 0.001 0.000 1.089 239 V CB 1.521 33.345 31.823 0.002 0.000 1.073 239 V HN -0.139 nan 8.190 nan 0.000 0.477 240 E N 1.679 121.882 120.200 0.004 0.000 2.476 240 E HA 0.205 4.555 4.350 -0.000 0.000 0.199 240 E C 0.209 176.810 176.600 0.002 0.000 1.021 240 E CA 0.147 56.548 56.400 0.003 0.000 0.907 240 E CB 0.080 29.783 29.700 0.006 0.000 0.974 240 E HN 0.477 nan 8.360 nan 0.000 0.489 241 N N 1.464 120.166 118.700 0.002 0.000 2.904 241 N HA 0.057 4.797 4.740 -0.000 0.000 0.257 241 N C -0.482 175.028 175.510 0.000 0.000 1.363 241 N CA -0.029 53.022 53.050 0.002 0.000 0.856 241 N CB 0.524 39.014 38.487 0.005 0.000 1.166 241 N HN -0.009 nan 8.380 nan 0.000 0.499 242 K N 1.653 122.049 120.400 -0.006 0.000 2.836 242 K HA 0.004 4.324 4.320 -0.000 0.000 0.236 242 K C 0.229 176.823 176.600 -0.009 0.000 1.015 242 K CA -0.058 56.221 56.287 -0.012 0.000 1.194 242 K CB -0.108 32.383 32.500 -0.015 0.000 1.002 242 K HN 0.174 nan 8.250 nan 0.000 0.479 243 K N 1.674 122.071 120.400 -0.005 0.000 2.361 243 K HA -0.069 4.251 4.320 -0.000 0.000 0.283 243 K C 0.151 176.744 176.600 -0.011 0.000 1.078 243 K CA 0.934 57.216 56.287 -0.008 0.000 1.041 243 K CB -0.057 32.439 32.500 -0.007 0.000 0.932 243 K HN 0.482 nan 8.250 nan 0.000 0.462 244 T N -0.313 114.232 114.554 -0.014 0.000 4.700 244 T HA -0.311 4.039 4.350 -0.000 0.000 0.326 244 T C 0.076 174.762 174.700 -0.023 0.000 0.923 244 T CA 0.993 63.082 62.100 -0.017 0.000 2.025 244 T CB -1.852 66.999 68.868 -0.029 0.000 2.058 244 T HN 0.586 nan 8.240 nan 0.000 0.896 245 A N 0.042 122.847 122.820 -0.026 0.000 2.306 245 A HA 0.747 5.067 4.320 -0.000 0.000 0.330 245 A C 0.312 177.866 177.584 -0.050 0.000 1.146 245 A CA -0.807 51.200 52.037 -0.049 0.000 0.827 245 A CB 0.918 19.890 19.000 -0.046 0.000 1.178 245 A HN 0.375 nan 8.150 nan 0.000 0.490 246 Q N -0.150 119.608 119.800 -0.071 0.000 2.185 246 Q HA 0.648 4.988 4.340 -0.000 0.000 0.225 246 Q C -0.884 175.062 176.000 -0.091 0.000 0.983 246 Q CA -0.271 55.492 55.803 -0.066 0.000 0.950 246 Q CB 1.419 30.111 28.738 -0.077 0.000 1.176 246 Q HN 0.670 nan 8.270 nan 0.000 0.510 247 L N 0.683 121.844 121.223 -0.102 0.000 2.333 247 L HA 0.536 4.876 4.340 -0.000 0.000 0.269 247 L C -0.438 176.312 176.870 -0.201 0.000 1.010 247 L CA -0.752 53.964 54.840 -0.207 0.000 0.818 247 L CB 1.658 43.475 42.059 -0.403 0.000 1.306 247 L HN 0.315 nan 8.230 nan 0.000 0.430 248 L N 1.369 122.461 121.223 -0.217 0.000 2.313 248 L HA 0.329 4.670 4.340 -0.000 0.000 0.273 248 L C 0.384 177.162 176.870 -0.152 0.000 1.028 248 L CA -0.280 54.493 54.840 -0.111 0.000 0.871 248 L CB 0.538 42.564 42.059 -0.056 0.000 1.242 248 L HN 0.683 nan 8.230 nan 0.000 0.434 249 H N 2.890 121.952 119.070 -0.013 0.000 2.403 249 H HA 0.150 4.706 4.556 -0.000 0.000 0.298 249 H C 1.467 176.788 175.328 -0.011 0.000 1.059 249 H CA 0.740 56.781 56.048 -0.012 0.000 1.363 249 H CB 0.018 29.772 29.762 -0.014 0.000 1.410 249 H HN 0.708 nan 8.280 nan 0.000 0.528 250 A N 1.386 124.270 122.820 0.106 0.000 2.616 250 A HA -0.153 4.167 4.320 -0.000 0.000 0.234 250 A C 0.123 177.724 177.584 0.029 0.000 1.024 250 A CA 0.415 52.483 52.037 0.052 0.000 0.758 250 A CB -0.219 18.802 19.000 0.035 0.000 0.939 250 A HN 0.455 nan 8.150 nan 0.000 0.510 251 D N 1.788 122.197 120.400 0.015 0.000 2.551 251 D HA 0.246 4.886 4.640 -0.000 0.000 0.223 251 D C 0.477 176.773 176.300 -0.007 0.000 1.144 251 D CA 0.537 54.540 54.000 0.005 0.000 1.025 251 D CB -0.149 40.650 40.800 -0.002 0.000 1.085 251 D HN 0.512 nan 8.370 nan 0.000 0.506 252 T N 2.758 117.308 114.554 -0.006 0.000 2.869 252 T HA 0.374 4.724 4.350 -0.000 0.000 0.295 252 T C -2.367 172.317 174.700 -0.026 0.000 0.987 252 T CA -1.673 60.417 62.100 -0.017 0.000 1.109 252 T CB 1.051 69.916 68.868 -0.004 0.000 0.932 252 T HN 0.195 nan 8.240 nan 0.000 0.518 253 P HA 0.291 nan 4.420 nan 0.000 0.278 253 P C -0.853 176.448 177.300 0.002 0.000 1.238 253 P CA -0.613 62.486 63.100 -0.003 0.000 0.794 253 P CB 0.686 32.327 31.700 -0.100 0.000 0.955 254 R N 2.822 123.331 120.500 0.015 0.000 2.308 254 R HA 0.253 4.593 4.340 -0.000 0.000 0.325 254 R C 1.192 177.534 176.300 0.070 0.000 1.161 254 R CA -0.348 55.686 56.100 -0.110 0.000 1.022 254 R CB 0.183 30.182 30.300 -0.502 0.000 1.091 254 R HN 0.513 nan 8.270 nan 0.000 0.497 255 L N 1.692 122.957 121.223 0.071 0.000 2.071 255 L HA 0.049 4.389 4.340 -0.000 0.000 0.201 255 L C 0.753 177.681 176.870 0.096 0.000 1.076 255 L CA 0.704 55.654 54.840 0.184 0.000 0.755 255 L CB -0.075 41.982 42.059 -0.003 0.000 0.915 255 L HN 0.239 nan 8.230 nan 0.000 0.445 256 V N 1.364 121.246 119.914 -0.054 0.000 2.470 256 V HA 0.202 4.322 4.120 -0.000 0.000 0.276 256 V C 0.120 176.128 176.094 -0.144 0.000 1.040 256 V CA 0.028 62.246 62.300 -0.136 0.000 1.008 256 V CB 0.446 32.204 31.823 -0.109 0.000 0.990 256 V HN 0.482 nan 8.190 nan 0.000 0.477 257 T N 1.299 115.703 114.554 -0.249 0.000 2.900 257 T HA 0.693 5.043 4.350 -0.000 0.000 0.303 257 T C -1.302 173.313 174.700 -0.142 0.000 1.142 257 T CA -0.839 61.214 62.100 -0.078 0.000 1.007 257 T CB 1.490 70.290 68.868 -0.114 0.000 1.156 257 T HN 0.446 nan 8.240 nan 0.000 0.490 258 W N 0.474 121.977 121.300 0.338 0.000 2.864 258 W HA 0.629 5.289 4.660 -0.000 0.000 0.343 258 W C -0.910 175.690 176.519 0.136 0.000 1.109 258 W CA -0.356 57.133 57.345 0.240 0.000 1.192 258 W CB 1.774 31.309 29.460 0.125 0.000 1.426 258 W HN 0.846 nan 8.180 nan 0.000 0.529 259 D N 0.386 120.949 120.400 0.272 0.000 2.620 259 D HA 0.491 5.131 4.640 -0.000 0.000 0.252 259 D C 0.060 176.352 176.300 -0.013 0.000 1.207 259 D CA -0.457 53.518 54.000 -0.042 0.000 0.884 259 D CB 1.803 42.446 40.800 -0.262 0.000 1.262 259 D HN 0.408 nan 8.370 nan 0.000 0.552 260 A N 2.964 125.736 122.820 -0.080 0.000 2.275 260 A HA 0.488 4.808 4.320 -0.000 0.000 0.212 260 A C 1.249 178.698 177.584 -0.225 0.000 1.201 260 A CA 0.537 52.501 52.037 -0.122 0.000 0.843 260 A CB -0.095 18.825 19.000 -0.133 0.000 0.873 260 A HN 0.540 nan 8.150 nan 0.000 0.492 261 G N -0.473 108.158 108.800 -0.281 0.000 2.546 261 G HA2 0.462 4.422 3.960 -0.000 0.000 0.239 261 G HA3 0.462 4.422 3.960 -0.000 0.000 0.239 261 G C -0.011 174.660 174.900 -0.381 0.000 1.476 261 G CA -0.685 44.169 45.100 -0.410 0.000 1.064 261 G HN 0.258 nan 8.290 nan 0.000 0.561 262 L N -0.457 120.488 121.223 -0.464 0.000 2.312 262 L HA 0.278 4.618 4.340 -0.000 0.000 0.281 262 L C 0.170 176.862 176.870 -0.296 0.000 1.070 262 L CA -0.697 53.923 54.840 -0.367 0.000 0.805 262 L CB 1.745 43.545 42.059 -0.432 0.000 1.174 262 L HN 0.409 nan 8.230 nan 0.000 0.434 263 C N 2.933 122.130 119.300 -0.171 0.000 2.861 263 C HA 0.380 4.840 4.460 -0.000 0.000 0.542 263 C C 0.645 175.609 174.990 -0.044 0.000 1.074 263 C CA -0.022 58.933 59.018 -0.106 0.000 1.232 263 C CB -1.351 26.364 27.740 -0.042 0.000 1.433 263 C HN 0.799 nan 8.230 nan 0.000 0.606 264 T N 0.371 114.878 114.554 -0.079 0.000 2.903 264 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 264 T C 0.438 175.180 174.700 0.070 0.000 1.093 264 T CA -0.280 61.871 62.100 0.085 0.000 1.002 264 T CB 1.787 70.765 68.868 0.184 0.000 1.127 264 T HN 0.301 nan 8.240 nan 0.000 0.488 265 S N 1.617 117.426 115.700 0.181 0.000 2.780 265 S HA 0.417 4.887 4.470 -0.000 0.000 0.248 265 S C -0.949 173.572 174.600 -0.131 0.000 1.036 265 S CA -0.316 57.881 58.200 -0.005 0.000 1.061 265 S CB 0.061 63.117 63.200 -0.240 0.000 1.037 265 S HN 0.572 nan 8.310 nan 0.000 0.584 266 F N 2.706 122.863 119.950 0.344 0.000 2.551 266 F HA 0.558 5.085 4.527 -0.000 0.000 0.316 266 F C -0.078 175.791 175.800 0.116 0.000 1.089 266 F CA -1.097 57.002 58.000 0.164 0.000 0.915 266 F CB 1.526 40.575 39.000 0.083 0.000 1.186 266 F HN -0.167 nan 8.300 nan 0.000 0.456 267 K N 2.411 122.764 120.400 -0.079 0.000 2.422 267 K HA 0.753 5.073 4.320 -0.000 0.000 0.251 267 K C -1.515 174.880 176.600 -0.341 0.000 0.933 267 K CA -0.676 55.305 56.287 -0.510 0.000 0.798 267 K CB 2.409 34.015 32.500 -1.489 0.000 1.238 267 K HN 0.635 nan 8.250 nan 0.000 0.428 268 I N 3.316 123.682 120.570 -0.340 0.000 2.342 268 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 268 I C 0.034 175.987 176.117 -0.273 0.000 1.010 268 I CA -1.024 60.076 61.300 -0.333 0.000 1.308 268 I CB 1.454 39.169 38.000 -0.474 0.000 1.400 268 I HN 0.528 nan 8.210 nan 0.000 0.488 269 V N 4.516 124.307 119.914 -0.205 0.000 2.960 269 V HA 0.713 4.833 4.120 -0.000 0.000 0.315 269 V C -2.864 173.165 176.094 -0.108 0.000 1.087 269 V CA -2.637 59.568 62.300 -0.159 0.000 0.982 269 V CB 1.702 33.439 31.823 -0.144 0.000 1.039 269 V HN 0.451 nan 8.190 nan 0.000 0.437 270 P HA 0.576 nan 4.420 nan 0.000 0.292 270 P C -0.100 177.138 177.300 -0.102 0.000 1.287 270 P CA -0.238 62.812 63.100 -0.084 0.000 0.800 270 P CB 1.602 33.260 31.700 -0.071 0.000 0.945 271 I N 2.622 123.107 120.570 -0.142 0.000 3.039 271 I HA 0.045 4.215 4.170 -0.000 0.000 0.270 271 I C 0.358 176.338 176.117 -0.229 0.000 1.150 271 I CA 0.941 62.120 61.300 -0.201 0.000 1.448 271 I CB 0.357 38.164 38.000 -0.320 0.000 1.197 271 I HN 0.065 nan 8.210 nan 0.000 0.450 272 V N 3.810 123.581 119.914 -0.239 0.000 2.409 272 V HA 0.372 4.492 4.120 -0.000 0.000 0.290 272 V C -2.228 173.801 176.094 -0.109 0.000 1.017 272 V CA -1.572 60.619 62.300 -0.182 0.000 0.841 272 V CB 1.525 33.212 31.823 -0.226 0.000 1.003 272 V HN 0.035 nan 8.190 nan 0.000 0.426 273 P HA 0.535 nan 4.420 nan 0.000 0.274 273 P C -0.616 176.663 177.300 -0.036 0.000 1.264 273 P CA -0.041 63.030 63.100 -0.049 0.000 0.795 273 P CB 1.389 33.067 31.700 -0.037 0.000 1.064 274 A N -0.428 122.376 122.820 -0.026 0.000 2.581 274 A HA 0.436 4.756 4.320 -0.000 0.000 0.294 274 A C -1.656 175.918 177.584 -0.017 0.000 1.035 274 A CA -0.540 51.487 52.037 -0.018 0.000 0.684 274 A CB 0.906 19.897 19.000 -0.014 0.000 1.282 274 A HN 0.519 nan 8.150 nan 0.000 0.417 275 Q N 0.530 120.319 119.800 -0.018 0.000 2.274 275 Q HA 0.581 4.921 4.340 -0.000 0.000 0.268 275 Q C -1.063 174.920 176.000 -0.027 0.000 1.015 275 Q CA -0.750 55.041 55.803 -0.020 0.000 0.775 275 Q CB 2.582 31.308 28.738 -0.020 0.000 1.256 275 Q HN 1.220 nan 8.270 nan 0.000 0.442 276 V N -0.078 119.820 119.914 -0.027 0.000 2.914 276 V HA 0.728 4.848 4.120 -0.000 0.000 0.314 276 V C -2.346 173.729 176.094 -0.032 0.000 1.084 276 V CA -2.102 60.177 62.300 -0.034 0.000 0.963 276 V CB 1.351 33.156 31.823 -0.030 0.000 1.025 276 V HN 0.638 nan 8.190 nan 0.000 0.432 277 P HA 0.377 nan 4.420 nan 0.000 0.271 277 P C -1.124 176.159 177.300 -0.028 0.000 1.216 277 P CA -0.089 62.992 63.100 -0.032 0.000 0.776 277 P CB 0.869 32.548 31.700 -0.035 0.000 0.881 278 Q N 0.949 120.733 119.800 -0.027 0.000 2.423 278 Q HA 0.206 4.546 4.340 -0.000 0.000 0.278 278 Q C -0.037 175.946 176.000 -0.028 0.000 1.097 278 Q CA -0.764 55.022 55.803 -0.028 0.000 0.809 278 Q CB 1.938 30.656 28.738 -0.034 0.000 1.391 278 Q HN 0.295 nan 8.270 nan 0.000 0.428 279 D N 0.046 120.430 120.400 -0.026 0.000 2.123 279 D HA -0.024 4.616 4.640 -0.000 0.000 0.200 279 D C 0.172 176.453 176.300 -0.031 0.000 0.976 279 D CA 1.031 55.017 54.000 -0.024 0.000 0.831 279 D CB 0.473 41.263 40.800 -0.017 0.000 0.974 279 D HN 0.157 nan 8.370 nan 0.000 0.469 280 V N 1.566 121.453 119.914 -0.046 0.000 2.427 280 V HA 0.230 4.350 4.120 -0.000 0.000 0.286 280 V C 1.121 177.164 176.094 -0.084 0.000 1.034 280 V CA -0.301 61.959 62.300 -0.068 0.000 0.893 280 V CB 2.034 33.800 31.823 -0.094 0.000 0.982 280 V HN -0.000 nan 8.190 nan 0.000 0.452 281 L N 3.152 124.328 121.223 -0.078 0.000 2.609 281 L HA 0.696 5.036 4.340 -0.000 0.000 0.230 281 L C 0.710 177.528 176.870 -0.087 0.000 1.087 281 L CA 0.637 55.435 54.840 -0.069 0.000 0.874 281 L CB 0.415 42.452 42.059 -0.037 0.000 1.114 281 L HN 0.793 nan 8.230 nan 0.000 0.488 282 A N -1.545 121.201 122.820 -0.123 0.000 2.522 282 A HA 0.554 4.874 4.320 -0.000 0.000 0.291 282 A C -2.122 175.405 177.584 -0.095 0.000 1.039 282 A CA -0.592 51.376 52.037 -0.114 0.000 0.643 282 A CB 0.312 19.322 19.000 0.016 0.000 1.310 282 A HN -0.011 nan 8.150 nan 0.000 0.436 283 Y N 0.807 121.204 120.300 0.163 0.000 2.323 283 Y HA 0.572 5.122 4.550 0.000 0.000 0.331 283 Y C 1.045 177.071 175.900 0.210 0.000 1.092 283 Y CA 0.439 58.667 58.100 0.213 0.000 1.150 283 Y CB 1.964 40.602 38.460 0.296 0.000 1.200 283 Y HN 0.697 nan 8.280 nan 0.000 0.472 284 T N 0.296 115.058 114.554 0.347 0.000 2.876 284 T HA 0.616 4.966 4.350 -0.000 0.000 0.289 284 T C -1.417 173.488 174.700 0.343 0.000 1.014 284 T CA -0.759 61.491 62.100 0.251 0.000 0.986 284 T CB 1.640 70.586 68.868 0.131 0.000 1.021 284 T HN 0.399 nan 8.240 nan 0.000 0.458 285 F N 3.918 123.947 119.950 0.132 0.000 2.612 285 F HA 0.592 5.119 4.527 -0.000 0.000 0.332 285 F C 0.059 175.994 175.800 0.224 0.000 1.167 285 F CA -1.989 56.116 58.000 0.174 0.000 0.970 285 F CB 0.078 39.285 39.000 0.344 0.000 1.234 285 F HN 0.824 nan 8.300 nan 0.000 0.453 286 F N 0.822 120.599 119.950 -0.288 0.000 2.338 286 F HA -0.487 4.040 4.527 -0.000 0.000 0.262 286 F C 2.224 177.962 175.800 -0.102 0.000 1.441 286 F CA 2.906 60.752 58.000 -0.257 0.000 2.000 286 F CB -1.290 37.483 39.000 -0.378 0.000 0.547 286 F HN 0.485 nan 8.300 nan 0.000 0.206 287 T N -2.256 112.400 114.554 0.170 0.000 3.022 287 T HA 0.351 4.701 4.350 -0.000 0.000 0.250 287 T C 0.571 175.297 174.700 0.044 0.000 1.060 287 T CA 0.644 62.789 62.100 0.076 0.000 1.013 287 T CB -0.068 68.831 68.868 0.051 0.000 0.982 287 T HN 0.311 nan 8.240 nan 0.000 0.508 288 S N 2.410 118.152 115.700 0.070 0.000 2.603 288 S HA 0.582 5.052 4.470 -0.000 0.000 0.268 288 S C 0.013 174.528 174.600 -0.141 0.000 1.317 288 S CA -0.489 57.677 58.200 -0.057 0.000 1.012 288 S CB 0.956 64.135 63.200 -0.034 0.000 0.926 288 S HN 0.806 nan 8.310 nan 0.000 0.539 289 S N 1.028 116.517 115.700 -0.352 0.000 2.649 289 S HA 0.576 5.046 4.470 -0.000 0.000 0.274 289 S C -1.603 172.791 174.600 -0.343 0.000 1.176 289 S CA -0.849 57.211 58.200 -0.233 0.000 0.988 289 S CB 0.250 63.416 63.200 -0.055 0.000 1.071 289 S HN 0.525 nan 8.310 nan 0.000 0.478 290 Y N 1.655 122.074 120.300 0.198 0.000 2.420 290 Y HA 0.772 5.322 4.550 0.000 0.000 0.334 290 Y C 0.788 176.825 175.900 0.229 0.000 1.094 290 Y CA -0.748 57.470 58.100 0.196 0.000 1.126 290 Y CB 1.552 40.129 38.460 0.196 0.000 1.217 290 Y HN 1.022 nan 8.280 nan 0.000 0.462 291 A N 2.622 125.632 122.820 0.317 0.000 2.271 291 A HA 0.614 4.934 4.320 -0.000 0.000 0.288 291 A C -0.442 177.297 177.584 0.259 0.000 1.094 291 A CA -0.672 51.490 52.037 0.209 0.000 0.828 291 A CB 0.155 19.230 19.000 0.125 0.000 1.091 291 A HN 0.764 nan 8.150 nan 0.000 0.493 292 I N 1.115 121.763 120.570 0.129 0.000 2.337 292 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 292 I C -0.057 176.122 176.117 0.104 0.000 1.046 292 I CA 0.301 61.679 61.300 0.129 0.000 1.324 292 I CB 0.670 38.636 38.000 -0.057 0.000 1.409 292 I HN 0.621 nan 8.210 nan 0.000 0.494 293 Q N 5.557 125.436 119.800 0.132 0.000 2.368 293 Q HA 0.322 4.662 4.340 -0.000 0.000 0.263 293 Q C -0.361 175.659 176.000 0.033 0.000 1.009 293 Q CA -0.625 55.218 55.803 0.067 0.000 0.818 293 Q CB 1.926 30.707 28.738 0.070 0.000 1.239 293 Q HN 0.765 nan 8.270 nan 0.000 0.464 294 S N 1.529 117.229 115.700 0.001 0.000 2.617 294 S HA 0.347 4.817 4.470 -0.000 0.000 0.269 294 S C -1.994 172.536 174.600 -0.117 0.000 1.292 294 S CA -1.156 57.025 58.200 -0.032 0.000 1.010 294 S CB 1.036 64.239 63.200 0.005 0.000 0.944 294 S HN 0.363 nan 8.310 nan 0.000 0.536 295 P HA 0.240 nan 4.420 nan 0.000 0.224 295 P C -0.545 176.303 177.300 -0.753 0.000 1.157 295 P CA 0.613 63.359 63.100 -0.589 0.000 0.799 295 P CB 0.049 31.193 31.700 -0.926 0.000 0.809 296 F N -1.419 118.546 119.950 0.026 0.000 2.598 296 F HA 0.503 5.030 4.527 -0.000 0.000 0.327 296 F C -2.233 173.561 175.800 -0.011 0.000 1.057 296 F CA -3.209 54.792 58.000 0.002 0.000 0.957 296 F CB -0.003 39.044 39.000 0.078 0.000 1.278 296 F HN -0.457 nan 8.300 nan 0.000 0.484 297 P HA 0.075 nan 4.420 nan 0.000 0.268 297 P C -1.228 176.116 177.300 0.075 0.000 1.205 297 P CA -0.126 63.011 63.100 0.061 0.000 0.771 297 P CB 0.418 32.127 31.700 0.014 0.000 0.858 298 E N 1.831 122.052 120.200 0.034 0.000 1.986 298 E HA 0.537 4.887 4.350 -0.000 0.000 0.264 298 E C -0.488 176.113 176.600 0.003 0.000 1.023 298 E CA -0.362 56.054 56.400 0.025 0.000 0.834 298 E CB 0.373 30.081 29.700 0.013 0.000 1.111 298 E HN 0.423 nan 8.360 nan 0.000 0.417 299 A N 1.142 123.962 122.820 -0.001 0.000 2.608 299 A HA 0.606 4.926 4.320 -0.000 0.000 0.292 299 A C 0.590 178.154 177.584 -0.034 0.000 1.066 299 A CA -0.151 51.873 52.037 -0.023 0.000 0.676 299 A CB 0.714 19.692 19.000 -0.037 0.000 1.277 299 A HN 0.442 nan 8.150 nan 0.000 0.413 300 A N -0.033 122.761 122.820 -0.044 0.000 1.927 300 A HA 0.242 4.562 4.320 -0.000 0.000 0.220 300 A C 0.850 178.390 177.584 -0.072 0.000 1.185 300 A CA 2.524 54.531 52.037 -0.051 0.000 0.639 300 A CB -0.462 18.508 19.000 -0.051 0.000 0.820 300 A HN 1.622 nan 8.150 nan 0.000 0.451 301 V N -0.362 119.489 119.914 -0.106 0.000 2.777 301 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 301 V C -0.993 175.044 176.094 -0.095 0.000 1.112 301 V CA -0.183 62.047 62.300 -0.117 0.000 0.917 301 V CB 2.186 33.859 31.823 -0.251 0.000 1.018 301 V HN 0.445 nan 8.190 nan 0.000 0.426 302 S N 4.674 120.362 115.700 -0.020 0.000 2.547 302 S HA 0.845 5.315 4.470 -0.000 0.000 0.281 302 S C -0.825 173.813 174.600 0.063 0.000 1.118 302 S CA -1.133 57.073 58.200 0.011 0.000 0.947 302 S CB 2.477 65.716 63.200 0.065 0.000 1.053 302 S HN 0.688 nan 8.310 nan 0.000 0.482 303 R N 0.775 121.284 120.500 0.014 0.000 2.888 303 R HA 0.619 4.959 4.340 -0.000 0.000 0.266 303 R C -0.833 175.454 176.300 -0.023 0.000 1.020 303 R CA -0.923 55.203 56.100 0.043 0.000 0.963 303 R CB 1.470 31.803 30.300 0.056 0.000 1.197 303 R HN 0.585 nan 8.270 nan 0.000 0.481 304 I N 1.359 121.932 120.570 0.006 0.000 2.499 304 I HA 0.364 4.534 4.170 -0.000 0.000 0.296 304 I C -0.355 175.771 176.117 0.016 0.000 0.992 304 I CA -0.670 60.616 61.300 -0.024 0.000 1.297 304 I CB 1.542 39.541 38.000 -0.001 0.000 1.410 304 I HN 0.133 nan 8.210 nan 0.000 0.507 305 V N 5.503 125.428 119.914 0.018 0.000 2.971 305 V HA 0.294 4.414 4.120 -0.000 0.000 0.309 305 V C -0.301 175.807 176.094 0.023 0.000 1.130 305 V CA -0.798 61.508 62.300 0.010 0.000 0.964 305 V CB 2.306 34.108 31.823 -0.034 0.000 1.029 305 V HN 0.354 nan 8.190 nan 0.000 0.427 306 V N 3.595 123.465 119.914 -0.074 0.000 2.530 306 V HA 0.429 4.549 4.120 -0.000 0.000 0.282 306 V C -0.059 176.013 176.094 -0.037 0.000 1.048 306 V CA -0.039 62.130 62.300 -0.218 0.000 0.997 306 V CB 0.830 32.381 31.823 -0.452 0.000 0.987 306 V HN 0.963 nan 8.190 nan 0.000 0.477 307 H N 3.508 122.514 119.070 -0.107 0.000 2.826 307 H HA 0.147 4.703 4.556 -0.000 0.000 0.255 307 H C 0.014 175.395 175.328 0.089 0.000 1.427 307 H CA -0.383 55.669 56.048 0.007 0.000 1.521 307 H CB 0.762 30.517 29.762 -0.011 0.000 1.934 307 H HN 0.787 nan 8.280 nan 0.000 0.644 308 T N 1.258 115.896 114.554 0.141 0.000 2.849 308 T HA 0.056 4.406 4.350 -0.000 0.000 0.289 308 T C 0.713 175.479 174.700 0.111 0.000 1.010 308 T CA 0.009 62.120 62.100 0.018 0.000 1.161 308 T CB 0.136 68.912 68.868 -0.153 0.000 0.989 308 T HN 0.745 nan 8.240 nan 0.000 0.523 309 R N 1.675 122.167 120.500 -0.014 0.000 3.336 309 R HA -0.138 4.202 4.340 -0.000 0.000 0.260 309 R C 1.011 177.301 176.300 -0.017 0.000 1.032 309 R CA 0.903 56.934 56.100 -0.115 0.000 0.693 309 R CB -1.850 28.358 30.300 -0.154 0.000 1.134 309 R HN 0.998 nan 8.270 nan 0.000 0.433 310 W N -1.825 119.442 121.300 -0.055 0.000 2.658 310 W HA 0.218 4.878 4.660 0.000 0.000 0.263 310 W C 0.821 177.270 176.519 -0.117 0.000 1.274 310 W CA 0.789 57.994 57.345 -0.233 0.000 1.343 310 W CB -0.004 29.038 29.460 -0.697 0.000 1.106 310 W HN 0.250 nan 8.180 nan 0.000 0.615 311 A N 1.425 123.701 122.820 -0.908 0.000 2.564 311 A HA 0.295 4.615 4.320 -0.000 0.000 0.279 311 A C 0.831 178.039 177.584 -0.627 0.000 1.232 311 A CA 0.195 51.706 52.037 -0.877 0.000 0.950 311 A CB -0.786 17.288 19.000 -1.543 0.000 1.138 311 A HN 0.136 nan 8.150 nan 0.000 0.526 312 S N 0.310 115.739 115.700 -0.451 0.000 2.632 312 S HA 0.482 4.952 4.470 -0.000 0.000 0.267 312 S C -0.226 174.186 174.600 -0.314 0.000 1.276 312 S CA -0.569 57.396 58.200 -0.392 0.000 0.998 312 S CB 1.140 64.110 63.200 -0.385 0.000 0.953 312 S HN 0.278 nan 8.310 nan 0.000 0.547 313 N N 0.952 119.475 118.700 -0.295 0.000 2.621 313 N HA 0.310 5.050 4.740 -0.000 0.000 0.271 313 N C -0.874 174.535 175.510 -0.168 0.000 1.181 313 N CA -0.433 52.490 53.050 -0.212 0.000 0.805 313 N CB 1.436 39.789 38.487 -0.222 0.000 1.351 313 N HN 0.755 nan 8.380 nan 0.000 0.539 314 V N 0.725 120.553 119.914 -0.143 0.000 3.193 314 V HA 0.652 4.772 4.120 -0.000 0.000 0.320 314 V C 1.028 177.165 176.094 0.072 0.000 1.112 314 V CA -0.334 61.935 62.300 -0.051 0.000 1.026 314 V CB 1.810 33.565 31.823 -0.115 0.000 1.128 314 V HN 0.467 nan 8.190 nan 0.000 0.452 315 D N 0.072 120.598 120.400 0.209 0.000 2.262 315 D HA 0.088 4.728 4.640 -0.000 0.000 0.212 315 D C 0.300 176.769 176.300 0.282 0.000 0.964 315 D CA 0.689 54.825 54.000 0.228 0.000 0.875 315 D CB 0.311 41.288 40.800 0.295 0.000 0.996 315 D HN 0.486 nan 8.370 nan 0.000 0.497 316 F N 1.179 121.239 119.950 0.184 0.000 2.520 316 F HA 0.393 4.920 4.527 0.000 0.000 0.322 316 F C -1.383 174.519 175.800 0.171 0.000 1.103 316 F CA -1.393 56.686 58.000 0.132 0.000 0.926 316 F CB 2.132 41.183 39.000 0.084 0.000 1.154 316 F HN -0.366 nan 8.300 nan 0.000 0.453 317 D N 4.852 124.791 120.400 -0.768 0.000 2.428 317 D HA 0.255 4.895 4.640 -0.000 0.000 0.221 317 D C 0.981 176.888 176.300 -0.655 0.000 1.123 317 D CA -0.205 53.504 54.000 -0.485 0.000 0.869 317 D CB 0.724 41.326 40.800 -0.331 0.000 1.032 317 D HN 0.440 nan 8.370 nan 0.000 0.506 318 R N 2.215 122.558 120.500 -0.261 0.000 2.200 318 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 318 R C 0.226 176.419 176.300 -0.179 0.000 1.127 318 R CA 0.620 56.603 56.100 -0.196 0.000 0.989 318 R CB -0.495 29.697 30.300 -0.179 0.000 0.869 318 R HN 0.579 nan 8.270 nan 0.000 0.459 319 D N 0.161 120.465 120.400 -0.160 0.000 2.686 319 D HA -0.137 4.503 4.640 -0.000 0.000 0.235 319 D C -0.908 175.349 176.300 -0.073 0.000 1.160 319 D CA 0.772 54.704 54.000 -0.114 0.000 0.645 319 D CB -1.010 39.713 40.800 -0.129 0.000 1.039 319 D HN 0.130 nan 8.370 nan 0.000 0.423 320 S N -0.470 115.189 115.700 -0.068 0.000 2.902 320 S HA 0.215 4.685 4.470 -0.000 0.000 0.250 320 S C 0.039 174.618 174.600 -0.035 0.000 1.046 320 S CA -0.389 57.784 58.200 -0.046 0.000 1.069 320 S CB 0.892 64.044 63.200 -0.080 0.000 0.967 320 S HN 0.260 nan 8.310 nan 0.000 0.530 321 S N 1.622 117.300 115.700 -0.036 0.000 2.566 321 S HA 0.224 4.694 4.470 -0.000 0.000 0.280 321 S C 0.251 174.836 174.600 -0.025 0.000 1.343 321 S CA -0.112 58.063 58.200 -0.042 0.000 1.036 321 S CB 0.746 63.915 63.200 -0.053 0.000 0.866 321 S HN 0.264 nan 8.310 nan 0.000 0.526 322 V N 4.031 123.928 119.914 -0.029 0.000 2.289 322 V HA 0.355 4.475 4.120 -0.000 0.000 0.272 322 V C -0.350 175.689 176.094 -0.093 0.000 1.026 322 V CA -0.233 62.068 62.300 0.002 0.000 0.807 322 V CB 0.121 32.019 31.823 0.125 0.000 1.044 322 V HN 0.689 nan 8.190 nan 0.000 0.443 323 I N 5.002 125.478 120.570 -0.157 0.000 2.336 323 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 323 I C -0.034 176.011 176.117 -0.121 0.000 0.991 323 I CA -0.165 60.946 61.300 -0.315 0.000 1.227 323 I CB 1.707 39.445 38.000 -0.436 0.000 1.366 323 I HN 0.500 nan 8.210 nan 0.000 0.466 324 M N 5.231 124.771 119.600 -0.099 0.000 2.578 324 M HA 0.728 5.208 4.480 -0.000 0.000 0.321 324 M C -0.699 175.610 176.300 0.015 0.000 1.182 324 M CA -0.424 54.860 55.300 -0.026 0.000 0.965 324 M CB 2.053 34.630 32.600 -0.040 0.000 1.694 324 M HN 0.682 nan 8.290 nan 0.000 0.461 325 A N 3.570 126.413 122.820 0.039 0.000 2.299 325 A HA 0.894 5.214 4.320 -0.000 0.000 0.332 325 A C -2.675 174.917 177.584 0.013 0.000 1.131 325 A CA -1.688 50.371 52.037 0.037 0.000 0.844 325 A CB 0.435 19.470 19.000 0.058 0.000 1.251 325 A HN 0.571 nan 8.150 nan 0.000 0.486 326 P HA 0.102 nan 4.420 nan 0.000 0.265 326 P C -2.217 175.086 177.300 0.005 0.000 1.193 326 P CA -0.719 62.378 63.100 -0.005 0.000 0.765 326 P CB 0.051 31.740 31.700 -0.018 0.000 0.823 327 P HA -0.186 nan 4.420 nan 0.000 0.222 327 P C 1.383 178.706 177.300 0.039 0.000 1.139 327 P CA 1.809 64.920 63.100 0.018 0.000 0.790 327 P CB -0.519 31.248 31.700 0.112 0.000 0.757 328 T N -5.331 109.245 114.554 0.038 0.000 3.088 328 T HA 0.068 4.418 4.350 -0.000 0.000 0.259 328 T C 0.593 175.276 174.700 -0.028 0.000 1.122 328 T CA 0.325 62.434 62.100 0.014 0.000 1.095 328 T CB -0.195 68.693 68.868 0.035 0.000 0.930 328 T HN 0.147 nan 8.240 nan 0.000 0.508 329 E N 1.003 121.202 120.200 -0.001 0.000 2.281 329 E HA 0.410 4.760 4.350 -0.000 0.000 0.262 329 E C -0.825 175.798 176.600 0.038 0.000 0.933 329 E CA -1.105 55.306 56.400 0.018 0.000 0.809 329 E CB 0.870 30.589 29.700 0.031 0.000 1.242 329 E HN 0.016 nan 8.360 nan 0.000 0.418 330 N N 1.481 120.225 118.700 0.073 0.000 2.470 330 N HA 0.075 4.815 4.740 -0.000 0.000 0.268 330 N C -0.480 175.127 175.510 0.162 0.000 1.136 330 N CA 0.256 53.373 53.050 0.112 0.000 0.961 330 N CB 0.468 39.035 38.487 0.133 0.000 1.067 330 N HN 0.407 nan 8.380 nan 0.000 0.468 331 N N 3.269 122.044 118.700 0.125 0.000 2.187 331 N HA 0.001 4.741 4.740 -0.000 0.000 0.212 331 N C 1.358 176.835 175.510 -0.054 0.000 1.152 331 N CA -0.218 52.850 53.050 0.030 0.000 0.872 331 N CB 0.391 38.860 38.487 -0.029 0.000 1.025 331 N HN 0.523 nan 8.380 nan 0.000 0.514 332 I N 2.862 123.529 120.570 0.161 0.000 2.290 332 I HA -0.341 3.829 4.170 -0.000 0.000 0.253 332 I C 2.442 178.638 176.117 0.131 0.000 1.112 332 I CA 1.695 63.141 61.300 0.243 0.000 1.377 332 I CB -0.319 37.821 38.000 0.233 0.000 1.060 332 I HN 0.329 nan 8.210 nan 0.000 0.428 333 H N 0.063 119.176 119.070 0.072 0.000 2.457 333 H HA -0.154 4.402 4.556 -0.000 0.000 0.297 333 H C 2.008 177.277 175.328 -0.098 0.000 1.092 333 H CA 1.675 57.727 56.048 0.007 0.000 1.309 333 H CB -0.990 28.768 29.762 -0.006 0.000 1.382 333 H HN 0.425 nan 8.280 nan 0.000 0.535 334 L N -0.142 120.543 121.223 -0.897 0.000 2.275 334 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 334 L C 1.107 177.505 176.870 -0.788 0.000 1.119 334 L CA 0.846 55.158 54.840 -0.880 0.000 0.790 334 L CB -0.282 41.037 42.059 -1.233 0.000 0.919 334 L HN 0.137 nan 8.230 nan 0.000 0.443 335 F N -0.117 119.787 119.950 -0.077 0.000 2.684 335 F HA 0.139 4.666 4.527 -0.000 0.000 0.298 335 F C 1.303 177.143 175.800 0.067 0.000 1.120 335 F CA -0.271 57.729 58.000 -0.000 0.000 1.332 335 F CB 0.043 39.032 39.000 -0.017 0.000 0.986 335 F HN 0.016 nan 8.300 nan 0.000 0.524 336 K N -0.834 119.625 120.400 0.098 0.000 2.609 336 K HA 0.183 4.503 4.320 -0.000 0.000 0.195 336 K C 0.816 177.392 176.600 -0.040 0.000 1.144 336 K CA -0.100 56.228 56.287 0.069 0.000 1.084 336 K CB -0.111 32.458 32.500 0.115 0.000 0.877 336 K HN 0.150 nan 8.250 nan 0.000 0.540 337 Q N 0.707 120.427 119.800 -0.133 0.000 2.170 337 Q HA -0.010 4.330 4.340 -0.000 0.000 0.203 337 Q C 1.237 176.921 176.000 -0.526 0.000 0.976 337 Q CA 1.004 56.660 55.803 -0.245 0.000 0.858 337 Q CB 0.170 28.728 28.738 -0.301 0.000 0.907 337 Q HN 0.376 nan 8.270 nan 0.000 0.433 338 L N -0.243 120.629 121.223 -0.585 0.000 2.539 338 L HA -0.019 4.321 4.340 -0.000 0.000 0.160 338 L C 1.987 178.695 176.870 -0.271 0.000 1.447 338 L CA 0.601 55.016 54.840 -0.707 0.000 3.093 338 L CB -1.070 40.629 42.059 -0.600 0.000 2.998 338 L HN 0.247 nan 8.230 nan 0.000 1.023 339 L N 0.685 121.812 121.223 -0.160 0.000 2.651 339 L HA -0.145 4.195 4.340 -0.000 0.000 0.236 339 L C 0.857 177.710 176.870 -0.027 0.000 1.173 339 L CA 0.306 55.117 54.840 -0.048 0.000 0.843 339 L CB -0.705 41.334 42.059 -0.033 0.000 0.964 339 L HN 0.444 nan 8.230 nan 0.000 0.454 340 N N 0.452 119.131 118.700 -0.035 0.000 2.878 340 N HA -0.026 4.714 4.740 -0.000 0.000 0.282 340 N C 1.467 176.986 175.510 0.015 0.000 1.284 340 N CA 0.572 53.618 53.050 -0.007 0.000 1.053 340 N CB 0.372 38.865 38.487 0.010 0.000 1.382 340 N HN 0.433 nan 8.380 nan 0.000 0.529 341 T N -1.972 112.597 114.554 0.024 0.000 2.781 341 T HA 0.009 4.359 4.350 -0.000 0.000 0.252 341 T C 0.872 175.591 174.700 0.032 0.000 1.039 341 T CA 0.614 62.740 62.100 0.044 0.000 1.147 341 T CB 0.023 68.929 68.868 0.064 0.000 0.865 341 T HN -0.031 nan 8.240 nan 0.000 0.423 342 E N 3.922 124.135 120.200 0.022 0.000 2.261 342 E HA 0.216 4.566 4.350 -0.000 0.000 0.308 342 E C 0.176 176.781 176.600 0.008 0.000 1.400 342 E CA -0.110 56.299 56.400 0.015 0.000 1.542 342 E CB -0.665 29.041 29.700 0.011 0.000 1.369 342 E HN 0.766 nan 8.360 nan 0.000 0.493 343 T N -2.458 112.103 114.554 0.012 0.000 2.922 343 T HA 0.438 4.788 4.350 -0.000 0.000 0.285 343 T C 1.204 175.909 174.700 0.008 0.000 1.005 343 T CA -0.749 61.355 62.100 0.008 0.000 1.061 343 T CB 1.175 70.052 68.868 0.015 0.000 1.007 343 T HN 0.196 nan 8.240 nan 0.000 0.502 344 L N 0.714 121.939 121.223 0.002 0.000 2.607 344 L HA 0.324 4.664 4.340 -0.000 0.000 0.228 344 L C 1.162 178.038 176.870 0.010 0.000 1.123 344 L CA -0.099 54.743 54.840 0.004 0.000 0.890 344 L CB 0.199 42.255 42.059 -0.005 0.000 1.103 344 L HN 0.735 nan 8.230 nan 0.000 0.468 345 S N -1.577 114.131 115.700 0.013 0.000 2.546 345 S HA 0.367 4.837 4.470 -0.000 0.000 0.272 345 S C 0.745 175.364 174.600 0.032 0.000 1.140 345 S CA -0.687 57.525 58.200 0.021 0.000 0.920 345 S CB 1.841 65.049 63.200 0.013 0.000 1.083 345 S HN -0.113 nan 8.310 nan 0.000 0.476 346 V N 4.676 124.612 119.914 0.038 0.000 2.237 346 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 346 V C 1.411 177.543 176.094 0.064 0.000 1.046 346 V CA 1.429 63.758 62.300 0.048 0.000 1.007 346 V CB -0.763 31.087 31.823 0.045 0.000 0.638 346 V HN 0.730 nan 8.190 nan 0.000 0.445 347 R N 0.446 120.986 120.500 0.067 0.000 2.539 347 R HA 0.485 4.825 4.340 -0.000 0.000 0.275 347 R C 0.375 176.725 176.300 0.083 0.000 1.077 347 R CA 0.731 56.884 56.100 0.088 0.000 1.097 347 R CB 0.354 30.707 30.300 0.088 0.000 1.018 347 R HN 0.652 nan 8.270 nan 0.000 0.483 348 G N 0.036 108.906 108.800 0.116 0.000 3.067 348 G HA2 0.131 4.091 3.960 -0.000 0.000 0.686 348 G HA3 0.131 4.091 3.960 -0.000 0.000 0.686 348 G C -1.056 173.917 174.900 0.121 0.000 1.119 348 G CA -0.436 44.730 45.100 0.111 0.000 0.790 348 G HN 0.775 nan 8.290 nan 0.000 0.605 349 A N 1.641 124.563 122.820 0.170 0.000 2.309 349 A HA 0.887 5.207 4.320 -0.000 0.000 0.317 349 A C 0.220 177.815 177.584 0.019 0.000 1.134 349 A CA -0.513 51.627 52.037 0.172 0.000 0.866 349 A CB 1.532 20.769 19.000 0.395 0.000 1.329 349 A HN 1.296 nan 8.150 nan 0.000 0.477 350 N N 0.587 119.238 118.700 -0.082 0.000 2.437 350 N HA 0.289 5.029 4.740 -0.000 0.000 0.259 350 N C -1.870 173.267 175.510 -0.622 0.000 0.983 350 N CA -2.147 50.757 53.050 -0.243 0.000 0.937 350 N CB 1.682 40.081 38.487 -0.147 0.000 1.122 350 N HN 0.242 nan 8.380 nan 0.000 0.499 351 P HA -0.154 nan 4.420 nan 0.000 0.216 351 P C 1.280 178.153 177.300 -0.713 0.000 1.150 351 P CA 1.049 63.322 63.100 -1.377 0.000 0.843 351 P CB 0.484 31.817 31.700 -0.612 0.000 0.787 352 L N -1.588 119.416 121.223 -0.364 0.000 2.362 352 L HA -0.021 4.319 4.340 -0.000 0.000 0.219 352 L C 2.286 179.064 176.870 -0.152 0.000 1.134 352 L CA 1.216 55.941 54.840 -0.192 0.000 0.807 352 L CB -0.885 41.096 42.059 -0.129 0.000 0.927 352 L HN -0.070 nan 8.230 nan 0.000 0.447 353 M N -2.171 117.321 119.600 -0.179 0.000 2.419 353 M HA 0.141 4.621 4.480 -0.000 0.000 0.252 353 M C 1.570 177.911 176.300 0.068 0.000 1.143 353 M CA 0.178 55.435 55.300 -0.071 0.000 0.985 353 M CB -0.842 31.721 32.600 -0.062 0.000 1.489 353 M HN 0.157 nan 8.290 nan 0.000 0.484 354 F N 1.194 121.115 119.950 -0.048 0.000 2.014 354 F HA -0.232 4.295 4.527 -0.000 0.000 0.295 354 F C 2.765 178.514 175.800 -0.086 0.000 1.145 354 F CA 0.962 58.934 58.000 -0.047 0.000 1.178 354 F CB -0.251 38.706 39.000 -0.072 0.000 0.972 354 F HN 0.177 nan 8.300 nan 0.000 0.476 355 R N 0.780 121.329 120.500 0.081 0.000 2.103 355 R HA -0.240 4.100 4.340 -0.000 0.000 0.242 355 R C 2.245 178.496 176.300 -0.082 0.000 1.142 355 R CA 1.495 57.546 56.100 -0.081 0.000 0.960 355 R CB -0.581 29.643 30.300 -0.127 0.000 0.858 355 R HN 0.329 nan 8.270 nan 0.000 0.439 356 A N 1.224 123.989 122.820 -0.091 0.000 1.883 356 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 356 A C 1.932 179.553 177.584 0.061 0.000 1.186 356 A CA 1.760 53.712 52.037 -0.142 0.000 0.624 356 A CB -0.757 18.132 19.000 -0.185 0.000 0.822 356 A HN 0.445 nan 8.150 nan 0.000 0.444 357 N N -0.014 118.726 118.700 0.066 0.000 2.058 357 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 357 N C 1.867 177.435 175.510 0.097 0.000 1.037 357 N CA 1.788 54.884 53.050 0.076 0.000 0.848 357 N CB -0.453 38.106 38.487 0.120 0.000 1.021 357 N HN 0.235 nan 8.380 nan 0.000 0.422 358 V N 2.530 122.482 119.914 0.062 0.000 2.282 358 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 358 V C 2.560 178.590 176.094 -0.105 0.000 1.057 358 V CA 1.400 63.669 62.300 -0.052 0.000 1.032 358 V CB -0.614 31.069 31.823 -0.234 0.000 0.645 358 V HN 0.273 nan 8.190 nan 0.000 0.447 359 L N -0.735 120.457 121.223 -0.051 0.000 1.989 359 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 359 L C 2.684 179.615 176.870 0.101 0.000 1.071 359 L CA 2.275 57.119 54.840 0.007 0.000 0.749 359 L CB -0.984 41.131 42.059 0.092 0.000 0.890 359 L HN 0.492 nan 8.230 nan 0.000 0.431 360 H N 0.296 119.442 119.070 0.126 0.000 2.319 360 H HA -0.285 4.271 4.556 0.000 0.000 0.297 360 H C 2.263 177.612 175.328 0.036 0.000 1.097 360 H CA 2.497 58.589 56.048 0.073 0.000 1.285 360 H CB -0.137 29.645 29.762 0.034 0.000 1.368 360 H HN 0.334 nan 8.280 nan 0.000 0.495 361 M N 0.426 120.118 119.600 0.154 0.000 2.082 361 M HA -0.190 4.290 4.480 -0.000 0.000 0.258 361 M C 2.178 178.518 176.300 0.067 0.000 1.069 361 M CA 1.660 57.023 55.300 0.105 0.000 1.102 361 M CB -0.188 32.452 32.600 0.066 0.000 1.336 361 M HN 0.271 nan 8.290 nan 0.000 0.404 362 L N 0.274 121.495 121.223 -0.004 0.000 2.131 362 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 362 L C 2.579 179.497 176.870 0.079 0.000 1.092 362 L CA 0.750 55.598 54.840 0.013 0.000 0.759 362 L CB -1.051 40.940 42.059 -0.114 0.000 0.903 362 L HN 0.440 nan 8.230 nan 0.000 0.435 363 L N 0.251 121.462 121.223 -0.020 0.000 2.017 363 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 363 L C 2.459 179.290 176.870 -0.064 0.000 1.073 363 L CA 1.810 56.612 54.840 -0.064 0.000 0.745 363 L CB -0.572 41.374 42.059 -0.189 0.000 0.894 363 L HN 0.216 nan 8.230 nan 0.000 0.432 364 E N -1.156 118.983 120.200 -0.101 0.000 2.150 364 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 364 E C 2.117 178.734 176.600 0.028 0.000 0.985 364 E CA 1.315 57.682 56.400 -0.056 0.000 0.814 364 E CB -0.411 29.278 29.700 -0.018 0.000 0.752 364 E HN 0.564 nan 8.360 nan 0.000 0.466 365 F N 1.502 121.437 119.950 -0.025 0.000 2.202 365 F HA -0.236 4.291 4.527 -0.000 0.000 0.301 365 F C 2.012 177.808 175.800 -0.007 0.000 1.082 365 F CA 1.091 59.102 58.000 0.018 0.000 1.313 365 F CB 0.051 39.116 39.000 0.108 0.000 1.024 365 F HN -0.210 nan 8.300 nan 0.000 0.495 366 V N 0.372 120.352 119.914 0.111 0.000 2.300 366 V HA -0.243 3.877 4.120 -0.000 0.000 0.241 366 V C 2.404 178.389 176.094 -0.181 0.000 1.034 366 V CA 1.695 63.985 62.300 -0.015 0.000 1.021 366 V CB -0.702 31.152 31.823 0.053 0.000 0.662 366 V HN 0.312 nan 8.190 nan 0.000 0.458 367 L N 0.347 121.461 121.223 -0.182 0.000 2.051 367 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 367 L C 2.353 179.029 176.870 -0.324 0.000 1.076 367 L CA 2.120 56.780 54.840 -0.301 0.000 0.758 367 L CB -0.722 41.192 42.059 -0.242 0.000 0.890 367 L HN 0.394 nan 8.230 nan 0.000 0.433 368 D N -0.354 119.915 120.400 -0.217 0.000 2.310 368 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 368 D C 1.581 177.828 176.300 -0.088 0.000 0.965 368 D CA 0.769 54.680 54.000 -0.148 0.000 0.879 368 D CB 0.014 40.738 40.800 -0.126 0.000 0.921 368 D HN 0.209 nan 8.370 nan 0.000 0.510 369 N N -0.293 118.290 118.700 -0.193 0.000 2.230 369 N HA 0.067 4.807 4.740 -0.000 0.000 0.202 369 N C -0.105 175.350 175.510 -0.092 0.000 1.119 369 N CA -0.090 52.889 53.050 -0.118 0.000 0.851 369 N CB 0.583 38.912 38.487 -0.263 0.000 0.990 369 N HN 0.260 nan 8.380 nan 0.000 0.497 370 L N 1.937 122.940 121.223 -0.366 0.000 2.415 370 L HA 0.141 4.481 4.340 -0.000 0.000 0.269 370 L C -0.775 175.713 176.870 -0.638 0.000 1.244 370 L CA 0.352 54.727 54.840 -0.776 0.000 1.113 370 L CB -0.798 40.469 42.059 -1.320 0.000 1.352 370 L HN 0.003 nan 8.230 nan 0.000 0.433 371 Y N 0.916 121.109 120.300 -0.179 0.000 2.644 371 Y HA 0.542 5.092 4.550 -0.000 0.000 0.338 371 Y C -0.109 175.823 175.900 0.054 0.000 1.119 371 Y CA -0.845 57.237 58.100 -0.030 0.000 1.060 371 Y CB 1.835 40.264 38.460 -0.052 0.000 1.294 371 Y HN 0.072 nan 8.280 nan 0.000 0.472 372 L N 1.895 123.182 121.223 0.107 0.000 2.322 372 L HA 0.438 4.778 4.340 -0.000 0.000 0.279 372 L C -0.604 176.374 176.870 0.181 0.000 1.036 372 L CA -0.939 53.877 54.840 -0.040 0.000 0.807 372 L CB 1.005 42.661 42.059 -0.672 0.000 1.226 372 L HN 0.589 nan 8.230 nan 0.000 0.433 373 N N 2.501 121.363 118.700 0.270 0.000 2.401 373 N HA 0.137 4.877 4.740 -0.000 0.000 0.255 373 N C -0.304 175.466 175.510 0.432 0.000 1.110 373 N CA -0.413 52.807 53.050 0.283 0.000 0.949 373 N CB 1.243 39.836 38.487 0.177 0.000 1.110 373 N HN 0.404 nan 8.380 nan 0.000 0.490 374 R N 1.621 122.373 120.500 0.420 0.000 2.490 374 R HA 0.056 4.396 4.340 -0.000 0.000 0.280 374 R C -0.142 176.227 176.300 0.116 0.000 1.077 374 R CA -0.201 56.059 56.100 0.265 0.000 1.065 374 R CB 0.184 30.543 30.300 0.097 0.000 1.003 374 R HN 0.540 nan 8.270 nan 0.000 0.470 375 H N 3.344 122.379 119.070 -0.058 0.000 2.652 375 H HA 0.252 4.808 4.556 -0.000 0.000 0.298 375 H C -0.729 174.519 175.328 -0.134 0.000 1.076 375 H CA -0.394 55.604 56.048 -0.082 0.000 1.360 375 H CB 0.674 30.418 29.762 -0.031 0.000 1.421 375 H HN 0.830 nan 8.280 nan 0.000 0.464 376 T N 1.763 116.179 114.554 -0.229 0.000 2.922 376 T HA 0.533 4.883 4.350 -0.000 0.000 0.281 376 T C 0.906 175.353 174.700 -0.423 0.000 1.005 376 T CA -0.418 61.472 62.100 -0.349 0.000 0.982 376 T CB 1.474 70.196 68.868 -0.243 0.000 1.158 376 T HN 0.607 nan 8.240 nan 0.000 0.566 377 G N -0.595 108.041 108.800 -0.273 0.000 2.553 377 G HA2 0.548 4.508 3.960 -0.000 0.000 0.278 377 G HA3 0.548 4.508 3.960 -0.000 0.000 0.278 377 G C -1.094 173.748 174.900 -0.095 0.000 1.349 377 G CA -0.715 44.343 45.100 -0.071 0.000 1.037 377 G HN 0.560 nan 8.290 nan 0.000 0.508 378 F N -1.488 118.503 119.950 0.068 0.000 2.876 378 F HA 0.724 5.251 4.527 -0.000 0.000 0.358 378 F C 0.422 176.274 175.800 0.088 0.000 1.209 378 F CA -0.787 57.274 58.000 0.101 0.000 1.051 378 F CB 1.590 40.639 39.000 0.081 0.000 1.474 378 F HN 0.609 nan 8.300 nan 0.000 0.521 379 S N -0.496 115.404 115.700 0.334 0.000 2.533 379 S HA 0.384 4.854 4.470 -0.000 0.000 0.271 379 S C -1.501 173.152 174.600 0.089 0.000 1.143 379 S CA -0.920 57.390 58.200 0.183 0.000 0.891 379 S CB 1.778 65.099 63.200 0.202 0.000 1.105 379 S HN 0.677 nan 8.310 nan 0.000 0.468 380 Q N 1.269 121.102 119.800 0.056 0.000 2.307 380 Q HA 0.283 4.623 4.340 -0.000 0.000 0.259 380 Q C -1.120 174.878 176.000 -0.003 0.000 0.998 380 Q CA -0.128 55.676 55.803 0.001 0.000 0.923 380 Q CB 0.583 29.358 28.738 0.062 0.000 1.196 380 Q HN 0.735 nan 8.270 nan 0.000 0.416 381 D N 1.574 121.879 120.400 -0.159 0.000 2.175 381 D HA 0.187 4.827 4.640 -0.000 0.000 0.248 381 D C -0.722 175.368 176.300 -0.351 0.000 1.047 381 D CA -0.264 53.625 54.000 -0.186 0.000 0.883 381 D CB 0.804 41.428 40.800 -0.293 0.000 1.180 381 D HN 0.590 nan 8.370 nan 0.000 0.438 382 H N 0.453 119.420 119.070 -0.173 0.000 2.649 382 H HA 0.265 4.821 4.556 -0.000 0.000 0.258 382 H C -0.398 174.787 175.328 -0.240 0.000 1.165 382 H CA -0.264 55.677 56.048 -0.178 0.000 1.006 382 H CB 0.540 30.213 29.762 -0.148 0.000 1.743 382 H HN 0.202 nan 8.280 nan 0.000 0.609 383 T N 2.137 116.569 114.554 -0.204 0.000 2.916 383 T HA -0.013 4.337 4.350 -0.000 0.000 0.303 383 T C -1.304 173.196 174.700 -0.334 0.000 1.025 383 T CA -1.013 60.917 62.100 -0.283 0.000 1.142 383 T CB 1.286 70.020 68.868 -0.224 0.000 0.947 383 T HN 0.163 nan 8.240 nan 0.000 0.544 384 P HA -0.148 nan 4.420 nan 0.000 0.218 384 P C 0.989 177.947 177.300 -0.569 0.000 1.154 384 P CA 1.437 64.170 63.100 -0.612 0.000 0.872 384 P CB -0.083 31.069 31.700 -0.913 0.000 0.790 385 F N -1.326 118.541 119.950 -0.139 0.000 2.456 385 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 385 F C 1.470 177.200 175.800 -0.116 0.000 1.104 385 F CA 1.180 59.115 58.000 -0.109 0.000 1.435 385 F CB -1.149 37.792 39.000 -0.099 0.000 1.078 385 F HN -0.052 nan 8.300 nan 0.000 0.546 386 T N -2.575 111.961 114.554 -0.031 0.000 3.415 386 T HA 0.163 4.513 4.350 -0.000 0.000 0.282 386 T C -0.161 174.434 174.700 -0.174 0.000 1.007 386 T CA -0.575 61.469 62.100 -0.094 0.000 0.958 386 T CB -0.469 68.319 68.868 -0.134 0.000 1.171 386 T HN 0.155 nan 8.240 nan 0.000 0.500 387 E N 1.244 121.337 120.200 -0.177 0.000 2.694 387 E HA 0.308 4.658 4.350 -0.000 0.000 0.250 387 E C 1.485 177.930 176.600 -0.258 0.000 0.963 387 E CA 1.409 57.673 56.400 -0.227 0.000 0.949 387 E CB -0.638 28.961 29.700 -0.169 0.000 0.911 387 E HN 0.706 nan 8.360 nan 0.000 0.500 388 G N 2.542 111.079 108.800 -0.438 0.000 2.168 388 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 388 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 388 G C 0.308 175.050 174.900 -0.264 0.000 0.977 388 G CA 0.154 45.011 45.100 -0.403 0.000 0.659 388 G HN 0.861 nan 8.290 nan 0.000 0.533 389 A N -0.499 122.176 122.820 -0.241 0.000 2.332 389 A HA 0.668 4.988 4.320 -0.000 0.000 0.258 389 A C 0.325 177.806 177.584 -0.172 0.000 1.087 389 A CA 0.069 52.003 52.037 -0.171 0.000 0.802 389 A CB 0.370 19.267 19.000 -0.172 0.000 1.042 389 A HN 0.492 nan 8.150 nan 0.000 0.489 390 N N 0.614 119.248 118.700 -0.109 0.000 2.699 390 N HA 0.406 5.146 4.740 -0.000 0.000 0.232 390 N C -1.139 174.447 175.510 0.126 0.000 1.027 390 N CA -0.192 52.826 53.050 -0.054 0.000 0.920 390 N CB 0.664 39.023 38.487 -0.213 0.000 1.148 390 N HN 0.544 nan 8.380 nan 0.000 0.509 391 L N 1.668 122.902 121.223 0.018 0.000 2.349 391 L HA 0.321 4.662 4.340 -0.000 0.000 0.275 391 L C 0.937 178.041 176.870 0.390 0.000 1.115 391 L CA -0.539 54.305 54.840 0.006 0.000 0.820 391 L CB 0.707 42.479 42.059 -0.478 0.000 1.135 391 L HN 0.393 nan 8.230 nan 0.000 0.445 392 R N 2.395 123.134 120.500 0.398 0.000 2.347 392 R HA 0.204 4.544 4.340 -0.000 0.000 0.304 392 R C -0.167 176.246 176.300 0.188 0.000 1.072 392 R CA -0.300 55.786 56.100 -0.022 0.000 0.980 392 R CB 0.838 30.990 30.300 -0.246 0.000 0.986 392 R HN 0.761 nan 8.270 nan 0.000 0.448 393 S N 5.545 121.281 115.700 0.060 0.000 2.457 393 S HA 0.308 4.778 4.470 -0.000 0.000 0.289 393 S C 0.390 174.917 174.600 -0.122 0.000 1.163 393 S CA -0.982 57.235 58.200 0.028 0.000 1.078 393 S CB 0.872 64.117 63.200 0.076 0.000 0.987 393 S HN 0.537 nan 8.310 nan 0.000 0.482 394 L N 3.520 124.623 121.223 -0.199 0.000 2.474 394 L HA 0.399 4.739 4.340 -0.000 0.000 0.259 394 L C -1.550 175.198 176.870 -0.204 0.000 1.232 394 L CA -1.784 52.887 54.840 -0.282 0.000 0.821 394 L CB -0.093 41.661 42.059 -0.509 0.000 1.108 394 L HN 0.545 nan 8.230 nan 0.000 0.495 395 P HA 0.370 nan 4.420 nan 0.000 0.278 395 P C -0.108 177.132 177.300 -0.100 0.000 1.258 395 P CA 0.160 63.179 63.100 -0.135 0.000 0.811 395 P CB 1.549 33.169 31.700 -0.134 0.000 1.063 396 G N 0.951 109.716 108.800 -0.058 0.000 2.587 396 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.212 396 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.212 396 G C -2.793 172.107 174.900 0.001 0.000 1.327 396 G CA -0.454 44.632 45.100 -0.023 0.000 0.898 396 G HN 0.738 nan 8.290 nan 0.000 0.551 397 P HA 0.515 nan 4.420 nan 0.000 0.287 397 P C -0.799 176.537 177.300 0.059 0.000 1.270 397 P CA 0.325 63.445 63.100 0.034 0.000 0.844 397 P CB 0.934 32.652 31.700 0.031 0.000 1.068 398 D N -0.143 120.284 120.400 0.045 0.000 2.746 398 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 398 D C 1.147 177.487 176.300 0.067 0.000 1.129 398 D CA 1.042 55.069 54.000 0.045 0.000 0.691 398 D CB -1.633 39.187 40.800 0.032 0.000 1.077 398 D HN 0.545 nan 8.370 nan 0.000 0.432 399 A N 0.796 123.624 122.820 0.014 0.000 1.940 399 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 399 A C 2.084 179.458 177.584 -0.349 0.000 1.176 399 A CA 1.763 53.750 52.037 -0.084 0.000 0.631 399 A CB -0.109 18.810 19.000 -0.134 0.000 0.814 399 A HN 0.396 nan 8.150 nan 0.000 0.446 400 E N 0.481 120.517 120.200 -0.272 0.000 2.418 400 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 400 E C 1.597 178.172 176.600 -0.041 0.000 1.026 400 E CA 1.170 57.438 56.400 -0.220 0.000 0.862 400 E CB -0.432 29.369 29.700 0.168 0.000 0.799 400 E HN 0.769 nan 8.360 nan 0.000 0.518 401 K N 0.326 120.691 120.400 -0.058 0.000 2.155 401 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 401 K C 1.326 177.825 176.600 -0.169 0.000 1.052 401 K CA 1.046 57.265 56.287 -0.112 0.000 0.948 401 K CB -0.109 32.270 32.500 -0.202 0.000 0.728 401 K HN 0.110 nan 8.250 nan 0.000 0.448 402 W N -0.092 121.134 121.300 -0.124 0.000 2.658 402 W HA -0.002 4.658 4.660 0.000 0.000 0.263 402 W C 1.541 178.072 176.519 0.020 0.000 1.274 402 W CA -0.014 57.282 57.345 -0.082 0.000 1.343 402 W CB -0.244 29.129 29.460 -0.145 0.000 1.106 402 W HN 0.052 nan 8.180 nan 0.000 0.615 403 Y N 1.300 121.782 120.300 0.303 0.000 2.069 403 Y HA -0.393 4.157 4.550 -0.000 0.000 0.278 403 Y C 2.812 178.861 175.900 0.249 0.000 1.175 403 Y CA 1.581 59.886 58.100 0.342 0.000 1.134 403 Y CB -1.668 36.974 38.460 0.304 0.000 0.965 403 Y HN -0.009 nan 8.280 nan 0.000 0.498 404 S N -0.300 115.587 115.700 0.312 0.000 2.407 404 S HA -0.240 4.230 4.470 -0.000 0.000 0.235 404 S C 1.935 176.583 174.600 0.079 0.000 1.036 404 S CA 1.925 60.219 58.200 0.157 0.000 1.013 404 S CB -0.985 62.260 63.200 0.076 0.000 0.820 404 S HN 0.529 nan 8.310 nan 0.000 0.476 405 I N 0.290 120.916 120.570 0.094 0.000 3.035 405 I HA 0.093 4.263 4.170 -0.000 0.000 0.271 405 I C 2.373 178.535 176.117 0.075 0.000 1.190 405 I CA 0.611 61.953 61.300 0.069 0.000 1.472 405 I CB -0.164 37.927 38.000 0.151 0.000 1.116 405 I HN 0.296 nan 8.210 nan 0.000 0.443 406 M N -0.382 119.223 119.600 0.009 0.000 2.349 406 M HA -0.034 4.446 4.480 -0.000 0.000 0.266 406 M C -0.246 175.772 176.300 -0.470 0.000 1.076 406 M CA 1.319 56.431 55.300 -0.315 0.000 1.126 406 M CB 0.109 32.304 32.600 -0.676 0.000 1.392 406 M HN 0.055 nan 8.290 nan 0.000 0.440 407 Y N -1.282 119.172 120.300 0.257 0.000 2.488 407 Y HA 0.304 4.854 4.550 -0.000 0.000 0.330 407 Y C -2.046 173.890 175.900 0.060 0.000 1.013 407 Y CA -2.200 56.022 58.100 0.204 0.000 1.304 407 Y CB 0.244 38.815 38.460 0.185 0.000 1.098 407 Y HN -0.056 nan 8.280 nan 0.000 0.498 408 P HA -0.204 nan 4.420 nan 0.000 0.214 408 P C 1.590 178.887 177.300 -0.004 0.000 1.163 408 P CA 2.460 65.549 63.100 -0.017 0.000 0.889 408 P CB 0.071 31.788 31.700 0.028 0.000 0.790 409 T N -2.145 112.400 114.554 -0.016 0.000 2.918 409 T HA -0.211 4.139 4.350 -0.000 0.000 0.271 409 T C 1.778 176.472 174.700 -0.010 0.000 1.104 409 T CA 1.282 63.358 62.100 -0.039 0.000 1.114 409 T CB -0.629 68.219 68.868 -0.034 0.000 0.855 409 T HN 0.049 nan 8.240 nan 0.000 0.518 410 R N 1.000 121.527 120.500 0.044 0.000 2.070 410 R HA 0.093 4.433 4.340 -0.000 0.000 0.233 410 R C 1.464 177.729 176.300 -0.059 0.000 1.137 410 R CA 0.765 56.896 56.100 0.052 0.000 0.945 410 R CB -0.447 29.911 30.300 0.097 0.000 0.845 410 R HN 0.579 nan 8.270 nan 0.000 0.430 411 M N 1.067 120.614 119.600 -0.088 0.000 2.260 411 M HA 0.054 4.534 4.480 -0.000 0.000 0.348 411 M C 0.504 176.518 176.300 -0.477 0.000 1.342 411 M CA 0.593 55.801 55.300 -0.153 0.000 1.040 411 M CB 0.954 33.526 32.600 -0.046 0.000 1.810 411 M HN 0.304 nan 8.290 nan 0.000 0.453 412 G N 2.982 111.217 108.800 -0.943 0.000 2.597 412 G HA2 0.115 4.075 3.960 -0.000 0.000 0.194 412 G HA3 0.115 4.075 3.960 -0.000 0.000 0.194 412 G C -0.004 174.637 174.900 -0.432 0.000 1.625 412 G CA 0.589 44.870 45.100 -1.365 0.000 1.050 412 G HN 0.906 nan 8.290 nan 0.000 0.531 413 T N -2.268 112.153 114.554 -0.223 0.000 3.866 413 T HA 0.459 4.809 4.350 -0.000 0.000 0.241 413 T C -1.662 173.020 174.700 -0.029 0.000 1.017 413 T CA -0.659 61.393 62.100 -0.081 0.000 1.300 413 T CB 1.341 70.186 68.868 -0.039 0.000 0.968 413 T HN 0.201 nan 8.240 nan 0.000 0.595 414 P HA -0.035 nan 4.420 nan 0.000 0.214 414 P C 0.537 177.813 177.300 -0.040 0.000 1.163 414 P CA 1.119 64.186 63.100 -0.055 0.000 0.889 414 P CB 0.213 31.808 31.700 -0.174 0.000 0.790 415 N N -1.668 117.008 118.700 -0.040 0.000 2.741 415 N HA 0.280 5.020 4.740 -0.000 0.000 0.310 415 N C -0.935 174.570 175.510 -0.008 0.000 1.295 415 N CA -0.584 52.451 53.050 -0.024 0.000 0.893 415 N CB 1.352 39.821 38.487 -0.030 0.000 1.247 415 N HN -0.371 nan 8.380 nan 0.000 0.596 416 V N 1.281 121.193 119.914 -0.003 0.000 2.247 416 V HA 0.273 4.393 4.120 -0.000 0.000 0.262 416 V C -0.012 176.089 176.094 0.011 0.000 1.096 416 V CA -0.362 61.942 62.300 0.006 0.000 0.895 416 V CB -0.521 31.306 31.823 0.007 0.000 1.141 416 V HN 0.698 nan 8.190 nan 0.000 0.478 417 S N 2.247 117.958 115.700 0.018 0.000 2.595 417 S HA 0.540 5.010 4.470 -0.000 0.000 0.281 417 S C 0.516 175.139 174.600 0.039 0.000 1.117 417 S CA -1.019 57.195 58.200 0.023 0.000 0.873 417 S CB 2.198 65.409 63.200 0.018 0.000 1.108 417 S HN 0.379 nan 8.310 nan 0.000 0.477 418 K N 0.498 120.914 120.400 0.028 0.000 2.113 418 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 418 K C 1.588 178.219 176.600 0.052 0.000 1.047 418 K CA 1.805 58.113 56.287 0.035 0.000 0.928 418 K CB -0.547 31.915 32.500 -0.062 0.000 0.716 418 K HN 0.600 nan 8.250 nan 0.000 0.446 419 I N 0.491 121.098 120.570 0.061 0.000 2.142 419 I HA -0.357 3.813 4.170 -0.000 0.000 0.240 419 I C 2.445 178.675 176.117 0.188 0.000 1.078 419 I CA 1.065 62.450 61.300 0.142 0.000 1.343 419 I CB -0.372 37.727 38.000 0.166 0.000 1.046 419 I HN 0.279 nan 8.210 nan 0.000 0.405 420 C N 0.944 120.308 119.300 0.107 0.000 2.429 420 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 420 C C 2.549 177.580 174.990 0.068 0.000 1.262 420 C CA 0.731 59.791 59.018 0.070 0.000 1.733 420 C CB -1.522 26.233 27.740 0.024 0.000 2.010 420 C HN 0.551 nan 8.230 nan 0.000 0.483 421 N N 0.581 119.326 118.700 0.076 0.000 2.247 421 N HA -0.165 4.575 4.740 -0.000 0.000 0.189 421 N C 1.315 176.872 175.510 0.078 0.000 1.009 421 N CA 1.433 54.520 53.050 0.061 0.000 0.872 421 N CB -0.572 37.958 38.487 0.072 0.000 0.980 421 N HN 0.656 nan 8.380 nan 0.000 0.436 422 F N 1.603 121.530 119.950 -0.037 0.000 2.074 422 F HA -0.049 4.478 4.527 -0.000 0.000 0.290 422 F C 2.167 177.934 175.800 -0.056 0.000 1.118 422 F CA 0.763 58.724 58.000 -0.065 0.000 1.199 422 F CB -0.705 38.239 39.000 -0.092 0.000 1.012 422 F HN -0.221 nan 8.300 nan 0.000 0.472 423 V N 1.372 121.205 119.914 -0.136 0.000 2.370 423 V HA -0.385 3.735 4.120 -0.000 0.000 0.252 423 V C 2.778 178.722 176.094 -0.250 0.000 1.068 423 V CA 1.998 64.137 62.300 -0.269 0.000 1.061 423 V CB -1.906 29.880 31.823 -0.061 0.000 0.656 423 V HN 0.564 nan 8.190 nan 0.000 0.455 424 A N -0.872 121.862 122.820 -0.144 0.000 1.972 424 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 424 A C 2.523 180.023 177.584 -0.139 0.000 1.169 424 A CA 2.069 54.043 52.037 -0.106 0.000 0.635 424 A CB -0.610 18.358 19.000 -0.053 0.000 0.810 424 A HN 0.512 nan 8.150 nan 0.000 0.446 425 S N -1.301 114.281 115.700 -0.197 0.000 2.428 425 S HA -0.060 4.410 4.470 -0.000 0.000 0.230 425 S C 0.956 175.412 174.600 -0.240 0.000 1.014 425 S CA 0.590 58.674 58.200 -0.193 0.000 0.957 425 S CB -0.810 62.288 63.200 -0.169 0.000 0.784 425 S HN 0.613 nan 8.310 nan 0.000 0.499 426 C N 2.283 121.361 119.300 -0.371 0.000 2.649 426 C HA 0.543 5.003 4.460 -0.000 0.000 0.377 426 C C 0.657 175.534 174.990 -0.188 0.000 1.321 426 C CA -1.153 57.672 59.018 -0.321 0.000 2.368 426 C CB 0.259 27.734 27.740 -0.443 0.000 2.597 426 C HN 0.477 nan 8.230 nan 0.000 0.678 427 V N 2.074 121.899 119.914 -0.148 0.000 2.509 427 V HA 0.446 4.566 4.120 -0.000 0.000 0.284 427 V C 1.041 177.079 176.094 -0.094 0.000 1.047 427 V CA -0.433 61.806 62.300 -0.102 0.000 0.952 427 V CB 0.896 32.667 31.823 -0.086 0.000 0.988 427 V HN 0.830 nan 8.190 nan 0.000 0.469 428 R N 3.625 124.088 120.500 -0.061 0.000 2.070 428 R HA -0.150 4.190 4.340 -0.000 0.000 0.233 428 R C 2.031 178.308 176.300 -0.038 0.000 1.137 428 R CA 2.175 58.251 56.100 -0.040 0.000 0.945 428 R CB -1.054 29.236 30.300 -0.017 0.000 0.845 428 R HN 1.050 nan 8.270 nan 0.000 0.430 429 N N 0.792 119.471 118.700 -0.034 0.000 2.430 429 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 429 N C 0.271 175.765 175.510 -0.025 0.000 1.032 429 N CA 0.579 53.621 53.050 -0.013 0.000 0.893 429 N CB -0.119 38.372 38.487 0.008 0.000 0.957 429 N HN 0.034 nan 8.380 nan 0.000 0.442 430 R N 1.098 121.508 120.500 -0.150 0.000 3.070 430 R HA 0.379 4.719 4.340 -0.000 0.000 0.252 430 R C -1.344 174.780 176.300 -0.293 0.000 1.370 430 R CA -0.260 55.565 56.100 -0.459 0.000 1.482 430 R CB 1.297 31.075 30.300 -0.871 0.000 1.220 430 R HN 0.085 nan 8.270 nan 0.000 0.622 431 V N 0.509 120.497 119.914 0.124 0.000 3.077 431 V HA 0.721 4.841 4.120 -0.000 0.000 0.299 431 V C 0.008 176.292 176.094 0.316 0.000 1.276 431 V CA 0.526 63.017 62.300 0.319 0.000 0.993 431 V CB 1.750 33.672 31.823 0.164 0.000 1.076 431 V HN 0.834 nan 8.190 nan 0.000 0.434 432 G N 5.087 114.099 108.800 0.354 0.000 2.512 432 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.240 432 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.240 432 G C -0.161 174.960 174.900 0.368 0.000 1.246 432 G CA 0.321 45.571 45.100 0.249 0.000 0.919 432 G HN 1.370 nan 8.290 nan 0.000 0.577 433 R N 0.098 120.774 120.500 0.294 0.000 2.442 433 R HA 0.476 4.816 4.340 -0.000 0.000 0.291 433 R C 0.928 177.348 176.300 0.199 0.000 1.069 433 R CA 0.310 56.545 56.100 0.226 0.000 1.022 433 R CB 0.058 30.298 30.300 -0.100 0.000 0.976 433 R HN 0.668 nan 8.270 nan 0.000 0.443 434 F N 2.163 122.085 119.950 -0.047 0.000 2.514 434 F HA 0.328 4.855 4.527 0.000 0.000 0.281 434 F C -0.505 175.262 175.800 -0.054 0.000 1.060 434 F CA 0.296 58.247 58.000 -0.083 0.000 1.397 434 F CB 0.494 39.243 39.000 -0.419 0.000 1.129 434 F HN 0.616 nan 8.300 nan 0.000 0.620 435 D N -0.041 120.148 120.400 -0.352 0.000 2.717 435 D HA 0.346 4.986 4.640 -0.000 0.000 0.223 435 D C -1.314 174.853 176.300 -0.220 0.000 1.240 435 D CA -0.563 53.190 54.000 -0.411 0.000 0.801 435 D CB 1.510 41.958 40.800 -0.586 0.000 1.556 435 D HN 0.279 nan 8.370 nan 0.000 0.462 436 R N 1.393 121.675 120.500 -0.363 0.000 2.836 436 R HA 0.918 5.258 4.340 -0.000 0.000 0.269 436 R C -0.819 174.826 176.300 -1.091 0.000 1.010 436 R CA -1.266 54.446 56.100 -0.647 0.000 0.930 436 R CB 1.082 31.101 30.300 -0.468 0.000 1.218 436 R HN 0.334 nan 8.270 nan 0.000 0.473 437 A N 0.924 122.710 122.820 -1.723 0.000 2.425 437 A HA 0.019 4.339 4.320 -0.000 0.000 0.242 437 A C 0.684 177.880 177.584 -0.647 0.000 1.077 437 A CA -0.145 50.944 52.037 -1.581 0.000 0.781 437 A CB 0.667 18.599 19.000 -1.780 0.000 1.020 437 A HN 0.875 nan 8.150 nan 0.000 0.494 438 Q N 0.856 120.442 119.800 -0.356 0.000 2.250 438 Q HA 0.102 4.442 4.340 -0.000 0.000 0.200 438 Q C 0.404 176.313 176.000 -0.150 0.000 0.941 438 Q CA 1.092 56.778 55.803 -0.195 0.000 0.872 438 Q CB -0.173 28.509 28.738 -0.093 0.000 0.965 438 Q HN 0.782 nan 8.270 nan 0.000 0.480 439 M N 1.488 121.008 119.600 -0.133 0.000 2.250 439 M HA 0.398 4.878 4.480 -0.000 0.000 0.344 439 M C -0.403 175.837 176.300 -0.100 0.000 1.150 439 M CA -0.144 55.114 55.300 -0.071 0.000 1.147 439 M CB 1.260 33.862 32.600 0.003 0.000 1.498 439 M HN 0.109 nan 8.290 nan 0.000 0.461 440 M N 0.935 120.495 119.600 -0.066 0.000 2.534 440 M HA 0.535 5.015 4.480 -0.000 0.000 0.280 440 M C -1.863 174.406 176.300 -0.051 0.000 1.217 440 M CA -0.963 54.298 55.300 -0.064 0.000 0.893 440 M CB 1.954 34.504 32.600 -0.083 0.000 1.730 440 M HN 0.399 nan 8.290 nan 0.000 0.483 441 N N 1.493 120.157 118.700 -0.059 0.000 2.424 441 N HA 0.673 5.413 4.740 -0.000 0.000 0.271 441 N C 0.345 175.808 175.510 -0.078 0.000 0.985 441 N CA 0.925 53.921 53.050 -0.091 0.000 0.921 441 N CB 1.748 40.133 38.487 -0.170 0.000 1.149 441 N HN 1.078 nan 8.380 nan 0.000 0.492 442 G N 2.083 110.848 108.800 -0.060 0.000 2.539 442 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 442 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 442 G C 0.317 175.195 174.900 -0.037 0.000 1.233 442 G CA 0.155 45.230 45.100 -0.041 0.000 0.936 442 G HN 0.702 nan 8.290 nan 0.000 0.571 443 A N -0.534 122.268 122.820 -0.029 0.000 2.379 443 A HA 0.676 4.996 4.320 -0.000 0.000 0.236 443 A C 0.934 178.505 177.584 -0.021 0.000 1.272 443 A CA 1.303 53.323 52.037 -0.029 0.000 0.886 443 A CB -0.121 18.865 19.000 -0.022 0.000 0.962 443 A HN 1.004 nan 8.150 nan 0.000 0.504 444 M N 0.790 120.381 119.600 -0.014 0.000 2.404 444 M HA 0.422 4.902 4.480 -0.000 0.000 0.338 444 M C -0.652 175.661 176.300 0.022 0.000 1.150 444 M CA -0.239 55.078 55.300 0.029 0.000 1.016 444 M CB 1.515 34.126 32.600 0.019 0.000 1.672 444 M HN 0.151 nan 8.290 nan 0.000 0.448 445 S N 2.550 118.279 115.700 0.049 0.000 2.592 445 S HA 0.111 4.581 4.470 -0.000 0.000 0.271 445 S C 0.736 175.318 174.600 -0.031 0.000 1.326 445 S CA -0.574 57.573 58.200 -0.089 0.000 1.024 445 S CB 1.038 64.088 63.200 -0.250 0.000 0.921 445 S HN 0.771 nan 8.310 nan 0.000 0.527 446 E N 1.038 121.178 120.200 -0.100 0.000 2.274 446 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 446 E C 0.126 176.831 176.600 0.173 0.000 0.996 446 E CA 0.580 57.020 56.400 0.068 0.000 0.840 446 E CB 0.242 30.023 29.700 0.135 0.000 0.772 446 E HN 0.748 nan 8.360 nan 0.000 0.491 447 W N -1.645 119.613 121.300 -0.071 0.000 3.059 447 W HA 0.583 5.243 4.660 -0.000 0.000 0.329 447 W C -1.807 174.513 176.519 -0.331 0.000 1.246 447 W CA -0.889 56.320 57.345 -0.226 0.000 1.190 447 W CB 0.751 30.097 29.460 -0.191 0.000 1.423 447 W HN -0.306 nan 8.180 nan 0.000 0.571 448 V N 1.185 121.184 119.914 0.141 0.000 3.147 448 V HA 0.426 4.546 4.120 -0.000 0.000 0.299 448 V C -1.902 174.295 176.094 0.172 0.000 1.302 448 V CA -0.355 61.989 62.300 0.073 0.000 1.015 448 V CB 2.241 33.964 31.823 -0.167 0.000 1.086 448 V HN 0.597 nan 8.190 nan 0.000 0.437 449 D N 2.890 123.399 120.400 0.182 0.000 2.308 449 D HA 0.674 5.314 4.640 -0.000 0.000 0.242 449 D C -0.576 175.773 176.300 0.082 0.000 1.059 449 D CA 0.250 54.313 54.000 0.105 0.000 0.830 449 D CB 1.903 42.795 40.800 0.153 0.000 1.161 449 D HN 0.881 nan 8.370 nan 0.000 0.494 450 V N -0.533 119.391 119.914 0.017 0.000 3.007 450 V HA 0.636 4.756 4.120 -0.000 0.000 0.311 450 V C -0.677 175.361 176.094 -0.093 0.000 1.120 450 V CA -1.034 61.288 62.300 0.036 0.000 0.980 450 V CB 1.504 33.444 31.823 0.194 0.000 1.033 450 V HN 0.278 nan 8.190 nan 0.000 0.429 451 F N 2.522 122.541 119.950 0.115 0.000 2.384 451 F HA 0.754 5.281 4.527 0.000 0.000 0.338 451 F C 0.663 176.445 175.800 -0.030 0.000 1.103 451 F CA 0.438 58.389 58.000 -0.081 0.000 1.157 451 F CB 1.288 40.285 39.000 -0.006 0.000 1.167 451 F HN 0.944 nan 8.300 nan 0.000 0.529 452 E N -0.035 120.047 120.200 -0.196 0.000 2.405 452 E HA 0.150 4.500 4.350 -0.000 0.000 0.283 452 E C -1.639 174.903 176.600 -0.095 0.000 1.140 452 E CA -1.149 55.206 56.400 -0.074 0.000 0.904 452 E CB 0.424 30.111 29.700 -0.021 0.000 1.209 452 E HN 0.371 nan 8.360 nan 0.000 0.428 453 T N 1.765 116.441 114.554 0.204 0.000 2.939 453 T HA 0.376 4.726 4.350 -0.000 0.000 0.312 453 T C 0.069 174.848 174.700 0.131 0.000 1.064 453 T CA 0.910 63.200 62.100 0.317 0.000 1.136 453 T CB 0.096 69.136 68.868 0.287 0.000 1.035 453 T HN 0.860 nan 8.240 nan 0.000 0.538 454 S N 0.635 116.433 115.700 0.163 0.000 2.690 454 S HA 0.442 4.912 4.470 -0.000 0.000 0.264 454 S C -2.323 172.372 174.600 0.158 0.000 1.040 454 S CA -1.204 57.063 58.200 0.113 0.000 0.869 454 S CB 1.010 64.235 63.200 0.042 0.000 1.132 454 S HN 0.893 nan 8.310 nan 0.000 0.474 455 D N -0.383 120.128 120.400 0.184 0.000 2.629 455 D HA 0.753 5.393 4.640 -0.000 0.000 0.250 455 D C 1.085 177.500 176.300 0.192 0.000 1.126 455 D CA -0.303 53.830 54.000 0.222 0.000 0.852 455 D CB 1.605 42.673 40.800 0.447 0.000 1.335 455 D HN 0.822 nan 8.370 nan 0.000 0.518 456 A N 2.660 125.563 122.820 0.137 0.000 1.940 456 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 456 A C 1.866 179.552 177.584 0.170 0.000 1.190 456 A CA 1.763 53.873 52.037 0.123 0.000 0.647 456 A CB -0.804 18.247 19.000 0.083 0.000 0.821 456 A HN 0.677 nan 8.150 nan 0.000 0.457 457 L N -0.312 121.058 121.223 0.245 0.000 1.955 457 L HA -0.135 4.205 4.340 -0.000 0.000 0.213 457 L C 2.494 179.538 176.870 0.289 0.000 1.072 457 L CA 3.019 58.043 54.840 0.307 0.000 0.755 457 L CB -1.514 40.828 42.059 0.471 0.000 0.888 457 L HN 0.401 nan 8.230 nan 0.000 0.432 458 T N -0.649 114.089 114.554 0.306 0.000 2.665 458 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 458 T C 2.007 176.783 174.700 0.126 0.000 1.035 458 T CA 1.853 64.054 62.100 0.168 0.000 1.151 458 T CB -0.599 68.326 68.868 0.096 0.000 0.862 458 T HN 0.230 nan 8.240 nan 0.000 0.438 459 V N 0.982 120.974 119.914 0.129 0.000 2.255 459 V HA -0.193 3.926 4.120 -0.000 0.000 0.247 459 V C 2.716 178.880 176.094 0.116 0.000 1.051 459 V CA 2.069 64.432 62.300 0.104 0.000 1.018 459 V CB -0.854 31.022 31.823 0.089 0.000 0.641 459 V HN 0.477 nan 8.190 nan 0.000 0.445 460 S N -0.775 115.002 115.700 0.128 0.000 2.383 460 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 460 S C 1.839 176.523 174.600 0.140 0.000 1.030 460 S CA 1.746 60.022 58.200 0.127 0.000 1.002 460 S CB -0.359 62.919 63.200 0.130 0.000 0.829 460 S HN 0.492 nan 8.310 nan 0.000 0.467 461 I N 0.977 121.638 120.570 0.152 0.000 2.113 461 I HA -0.186 3.984 4.170 -0.000 0.000 0.238 461 I C 2.624 178.841 176.117 0.165 0.000 1.070 461 I CA 1.322 62.713 61.300 0.151 0.000 1.332 461 I CB -0.406 37.671 38.000 0.128 0.000 1.044 461 I HN 0.225 nan 8.210 nan 0.000 0.402 462 R N 0.838 121.427 120.500 0.148 0.000 2.200 462 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 462 R C 2.287 178.711 176.300 0.206 0.000 1.127 462 R CA 1.177 57.395 56.100 0.195 0.000 0.989 462 R CB -0.653 29.740 30.300 0.155 0.000 0.869 462 R HN 0.505 nan 8.270 nan 0.000 0.459 463 G N 1.146 110.043 108.800 0.162 0.000 2.404 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 463 G C 1.437 176.414 174.900 0.128 0.000 1.174 463 G CA 0.367 45.548 45.100 0.135 0.000 0.780 463 G HN 0.238 nan 8.290 nan 0.000 0.537 464 R N -1.012 119.579 120.500 0.152 0.000 2.092 464 R HA -0.000 4.340 4.340 -0.000 0.000 0.231 464 R C 2.253 178.661 176.300 0.181 0.000 1.119 464 R CA 1.033 57.220 56.100 0.145 0.000 0.970 464 R CB -0.466 29.930 30.300 0.159 0.000 0.864 464 R HN 0.590 nan 8.270 nan 0.000 0.440 465 W N 1.444 122.753 121.300 0.017 0.000 2.338 465 W HA -0.317 4.343 4.660 0.000 0.000 0.304 465 W C 1.903 178.402 176.519 -0.033 0.000 1.212 465 W CA 1.425 58.767 57.345 -0.005 0.000 1.264 465 W CB -0.142 29.311 29.460 -0.012 0.000 1.142 465 W HN 0.103 nan 8.180 nan 0.000 0.512 466 M N 2.117 121.709 119.600 -0.013 0.000 2.286 466 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 466 M C 2.387 178.563 176.300 -0.206 0.000 1.071 466 M CA 3.421 58.624 55.300 -0.161 0.000 1.091 466 M CB -1.406 31.160 32.600 -0.057 0.000 1.260 466 M HN 0.003 nan 8.290 nan 0.000 0.442 467 A N 0.202 122.962 122.820 -0.100 0.000 1.873 467 A HA -0.356 3.964 4.320 -0.000 0.000 0.219 467 A C 2.242 179.738 177.584 -0.146 0.000 1.269 467 A CA 3.322 55.305 52.037 -0.090 0.000 0.671 467 A CB -1.273 17.711 19.000 -0.026 0.000 0.842 467 A HN 0.693 nan 8.150 nan 0.000 0.460 468 R N 0.097 120.506 120.500 -0.151 0.000 2.134 468 R HA -0.175 4.165 4.340 -0.000 0.000 0.248 468 R C 1.956 178.074 176.300 -0.303 0.000 1.143 468 R CA 2.375 58.357 56.100 -0.196 0.000 0.957 468 R CB -1.172 29.017 30.300 -0.187 0.000 0.867 468 R HN 0.601 nan 8.270 nan 0.000 0.441 469 L N -0.593 120.352 121.223 -0.465 0.000 2.005 469 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 469 L C 2.540 179.227 176.870 -0.306 0.000 1.072 469 L CA 1.445 56.009 54.840 -0.460 0.000 0.744 469 L CB -0.853 40.857 42.059 -0.581 0.000 0.895 469 L HN 0.376 nan 8.230 nan 0.000 0.433 470 A N 0.180 122.839 122.820 -0.269 0.000 1.958 470 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 470 A C 2.335 179.828 177.584 -0.152 0.000 1.178 470 A CA 1.753 53.664 52.037 -0.209 0.000 0.642 470 A CB -0.601 18.297 19.000 -0.171 0.000 0.816 470 A HN 0.369 nan 8.150 nan 0.000 0.453 471 R N -1.163 119.256 120.500 -0.134 0.000 2.189 471 R HA 0.025 4.365 4.340 -0.000 0.000 0.223 471 R C 1.499 177.750 176.300 -0.082 0.000 1.092 471 R CA 1.295 57.342 56.100 -0.089 0.000 0.989 471 R CB -0.314 29.942 30.300 -0.072 0.000 0.876 471 R HN 0.571 nan 8.270 nan 0.000 0.457 472 M N 0.452 119.982 119.600 -0.118 0.000 2.628 472 M HA 0.004 4.484 4.480 -0.000 0.000 0.232 472 M C 0.295 176.558 176.300 -0.062 0.000 1.128 472 M CA 0.121 55.365 55.300 -0.094 0.000 1.040 472 M CB -0.271 32.238 32.600 -0.151 0.000 1.608 472 M HN 0.124 nan 8.290 nan 0.000 0.507 473 N N 1.012 119.669 118.700 -0.072 0.000 2.479 473 N HA 0.322 5.062 4.740 -0.000 0.000 0.257 473 N C -1.047 174.466 175.510 0.004 0.000 1.232 473 N CA 0.138 53.159 53.050 -0.049 0.000 0.920 473 N CB 0.960 39.394 38.487 -0.089 0.000 1.105 473 N HN 0.135 nan 8.380 nan 0.000 0.444 474 I N 0.807 121.393 120.570 0.028 0.000 3.074 474 I HA 0.277 4.447 4.170 -0.000 0.000 0.310 474 I C -1.225 174.857 176.117 -0.059 0.000 1.153 474 I CA -1.053 60.257 61.300 0.018 0.000 0.993 474 I CB 2.355 40.419 38.000 0.106 0.000 1.237 474 I HN 0.680 nan 8.210 nan 0.000 0.443 475 N N 3.040 121.657 118.700 -0.139 0.000 2.249 475 N HA 0.452 5.192 4.740 -0.000 0.000 0.296 475 N C -2.350 172.926 175.510 -0.391 0.000 1.051 475 N CA -1.625 51.272 53.050 -0.255 0.000 0.815 475 N CB 2.043 40.407 38.487 -0.204 0.000 1.487 475 N HN 0.117 nan 8.380 nan 0.000 0.475 476 P HA -0.331 nan 4.420 nan 0.000 0.222 476 P C 0.855 177.870 177.300 -0.475 0.000 1.155 476 P CA 1.945 64.716 63.100 -0.548 0.000 0.890 476 P CB -0.125 31.086 31.700 -0.816 0.000 0.790 477 T N 0.223 114.461 114.554 -0.527 0.000 2.737 477 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 477 T C 1.766 175.889 174.700 -0.961 0.000 1.040 477 T CA 1.669 63.441 62.100 -0.546 0.000 1.142 477 T CB -0.554 68.050 68.868 -0.440 0.000 0.861 477 T HN 0.421 nan 8.240 nan 0.000 0.456 478 E N 0.445 120.181 120.200 -0.774 0.000 2.077 478 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 478 E C 2.237 178.637 176.600 -0.333 0.000 0.989 478 E CA 0.883 56.901 56.400 -0.637 0.000 0.800 478 E CB -0.278 29.244 29.700 -0.296 0.000 0.746 478 E HN 0.501 nan 8.360 nan 0.000 0.452 479 I N 1.388 121.820 120.570 -0.230 0.000 2.208 479 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 479 I C 2.319 178.410 176.117 -0.043 0.000 1.097 479 I CA 1.208 62.480 61.300 -0.048 0.000 1.363 479 I CB -0.341 37.643 38.000 -0.026 0.000 1.051 479 I HN 0.124 nan 8.210 nan 0.000 0.413 480 E N 0.302 120.417 120.200 -0.140 0.000 2.049 480 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 480 E C 2.114 178.788 176.600 0.123 0.000 1.007 480 E CA 1.694 58.076 56.400 -0.030 0.000 0.809 480 E CB -0.189 29.467 29.700 -0.075 0.000 0.749 480 E HN 0.498 nan 8.360 nan 0.000 0.450 481 W N 0.412 121.700 121.300 -0.020 0.000 2.335 481 W HA -0.105 4.555 4.660 0.000 0.000 0.311 481 W C 2.474 178.942 176.519 -0.086 0.000 1.213 481 W CA 0.802 58.121 57.345 -0.043 0.000 1.274 481 W CB -1.387 28.038 29.460 -0.059 0.000 1.148 481 W HN 0.124 nan 8.180 nan 0.000 0.498 482 A N 0.725 123.575 122.820 0.050 0.000 1.834 482 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 482 A C 2.212 179.762 177.584 -0.057 0.000 1.203 482 A CA 2.179 54.075 52.037 -0.235 0.000 0.621 482 A CB -1.268 17.294 19.000 -0.731 0.000 0.841 482 A HN 0.204 nan 8.150 nan 0.000 0.446 483 L N -0.748 120.529 121.223 0.090 0.000 2.043 483 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 483 L C 2.826 179.874 176.870 0.296 0.000 1.075 483 L CA 1.959 56.959 54.840 0.266 0.000 0.752 483 L CB -1.124 41.132 42.059 0.329 0.000 0.891 483 L HN 0.423 nan 8.230 nan 0.000 0.432 484 T N -1.071 113.614 114.554 0.218 0.000 2.708 484 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 484 T C 1.822 176.625 174.700 0.172 0.000 1.037 484 T CA 1.578 63.799 62.100 0.201 0.000 1.146 484 T CB -0.107 68.866 68.868 0.174 0.000 0.865 484 T HN 0.378 nan 8.240 nan 0.000 0.435 485 E N -0.232 120.047 120.200 0.130 0.000 2.106 485 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 485 E C 2.289 178.969 176.600 0.132 0.000 0.984 485 E CA 0.996 57.449 56.400 0.089 0.000 0.806 485 E CB -0.144 29.573 29.700 0.028 0.000 0.750 485 E HN 0.461 nan 8.360 nan 0.000 0.458 486 C N 0.537 119.949 119.300 0.188 0.000 2.413 486 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 486 C C 2.706 177.896 174.990 0.334 0.000 1.265 486 C CA 0.855 60.039 59.018 0.277 0.000 1.752 486 C CB -1.026 26.925 27.740 0.352 0.000 1.998 486 C HN 0.556 nan 8.230 nan 0.000 0.489 487 A N -0.312 122.714 122.820 0.342 0.000 2.259 487 A HA -0.102 4.218 4.320 -0.000 0.000 0.212 487 A C 1.265 178.989 177.584 0.233 0.000 1.178 487 A CA 1.074 53.258 52.037 0.246 0.000 0.734 487 A CB -0.335 18.797 19.000 0.220 0.000 0.774 487 A HN 0.713 nan 8.150 nan 0.000 0.481 488 Q N -3.173 116.741 119.800 0.191 0.000 2.468 488 Q HA -0.257 4.083 4.340 -0.000 0.000 0.256 488 Q C 0.866 176.905 176.000 0.065 0.000 0.984 488 Q CA 1.530 57.426 55.803 0.154 0.000 1.110 488 Q CB -2.551 26.313 28.738 0.210 0.000 1.527 488 Q HN 1.853 nan 8.270 nan 0.000 0.535 489 G N -1.351 107.475 108.800 0.044 0.000 2.149 489 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.235 489 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.235 489 G C 0.190 174.949 174.900 -0.235 0.000 1.018 489 G CA 0.462 45.508 45.100 -0.089 0.000 0.728 489 G HN 0.425 nan 8.290 nan 0.000 0.508 490 Y N -0.899 119.419 120.300 0.030 0.000 2.481 490 Y HA 0.446 4.996 4.550 0.000 0.000 0.258 490 Y C 1.631 177.553 175.900 0.037 0.000 1.103 490 Y CA 0.784 58.904 58.100 0.033 0.000 1.287 490 Y CB 0.861 39.351 38.460 0.050 0.000 1.108 490 Y HN 0.711 nan 8.280 nan 0.000 0.529 491 V N -3.127 116.896 119.914 0.180 0.000 3.182 491 V HA 0.839 4.959 4.120 -0.000 0.000 0.308 491 V C -0.638 175.550 176.094 0.157 0.000 1.240 491 V CA -0.626 61.779 62.300 0.174 0.000 1.063 491 V CB 1.695 33.668 31.823 0.250 0.000 1.076 491 V HN -0.025 nan 8.190 nan 0.000 0.446 492 T N -0.317 114.336 114.554 0.165 0.000 3.011 492 T HA 0.703 5.053 4.350 -0.000 0.000 0.303 492 T C -0.503 174.284 174.700 0.146 0.000 0.997 492 T CA -0.130 62.056 62.100 0.143 0.000 1.007 492 T CB 0.884 69.815 68.868 0.104 0.000 1.017 492 T HN 2.080 nan 8.240 nan 0.000 0.443 493 V N 1.144 121.146 119.914 0.146 0.000 2.644 493 V HA 0.910 5.030 4.120 -0.000 0.000 0.295 493 V C -0.266 175.867 176.094 0.066 0.000 1.053 493 V CA -0.373 61.985 62.300 0.098 0.000 0.987 493 V CB 1.309 33.190 31.823 0.096 0.000 1.006 493 V HN 1.056 nan 8.190 nan 0.000 0.472 494 T N 3.267 117.834 114.554 0.022 0.000 2.937 494 T HA 0.420 4.770 4.350 -0.000 0.000 0.297 494 T C -0.493 174.200 174.700 -0.011 0.000 0.991 494 T CA -0.249 61.863 62.100 0.020 0.000 0.990 494 T CB 1.405 70.289 68.868 0.028 0.000 0.991 494 T HN 0.935 nan 8.240 nan 0.000 0.440 495 S N 4.367 120.063 115.700 -0.007 0.000 2.577 495 S HA 0.544 5.014 4.470 -0.000 0.000 0.294 495 S C -2.606 172.045 174.600 0.085 0.000 1.161 495 S CA -1.449 56.745 58.200 -0.010 0.000 1.143 495 S CB 0.147 63.294 63.200 -0.088 0.000 0.991 495 S HN 0.311 nan 8.310 nan 0.000 0.475 496 P HA 0.399 nan 4.420 nan 0.000 0.274 496 P C -1.278 176.192 177.300 0.284 0.000 1.231 496 P CA -0.137 63.030 63.100 0.112 0.000 0.790 496 P CB 0.272 31.912 31.700 -0.100 0.000 0.951 497 Y N -1.621 118.664 120.300 -0.026 0.000 2.620 497 Y HA 0.712 5.262 4.550 -0.000 0.000 0.331 497 Y C -1.478 174.428 175.900 0.009 0.000 1.173 497 Y CA -1.657 56.454 58.100 0.018 0.000 1.076 497 Y CB 0.241 38.707 38.460 0.011 0.000 1.336 497 Y HN 0.502 nan 8.280 nan 0.000 0.459 498 A N 2.033 124.888 122.820 0.059 0.000 2.252 498 A HA 0.854 5.174 4.320 -0.000 0.000 0.305 498 A C -2.782 174.779 177.584 -0.037 0.000 1.097 498 A CA -2.038 49.969 52.037 -0.050 0.000 0.849 498 A CB -0.085 18.933 19.000 0.031 0.000 1.142 498 A HN 0.562 nan 8.150 nan 0.000 0.499 499 P HA 0.400 nan 4.420 nan 0.000 0.276 499 P C -0.661 176.675 177.300 0.060 0.000 1.243 499 P CA 0.251 63.345 63.100 -0.009 0.000 0.768 499 P CB 1.129 32.811 31.700 -0.031 0.000 0.856 500 S N 1.589 117.350 115.700 0.101 0.000 2.558 500 S HA 0.353 4.823 4.470 -0.000 0.000 0.277 500 S C 0.246 174.909 174.600 0.105 0.000 1.143 500 S CA -0.632 57.631 58.200 0.104 0.000 0.865 500 S CB 0.783 64.054 63.200 0.118 0.000 1.102 500 S HN 0.121 nan 8.310 nan 0.000 0.454 501 V N 1.284 121.262 119.914 0.106 0.000 3.645 501 V HA 0.396 4.516 4.120 -0.000 0.000 0.275 501 V C 0.864 177.017 176.094 0.097 0.000 1.356 501 V CA 0.530 62.889 62.300 0.098 0.000 1.051 501 V CB -0.230 31.663 31.823 0.118 0.000 0.828 501 V HN 0.827 nan 8.190 nan 0.000 0.441 502 N N 1.685 120.470 118.700 0.143 0.000 2.671 502 N HA 0.146 4.886 4.740 -0.000 0.000 0.303 502 N C 0.104 175.672 175.510 0.097 0.000 1.351 502 N CA -0.225 52.938 53.050 0.189 0.000 0.991 502 N CB 0.415 39.154 38.487 0.421 0.000 1.307 502 N HN 0.526 nan 8.380 nan 0.000 0.512 503 R N 1.235 121.732 120.500 -0.004 0.000 2.332 503 R HA 0.243 4.583 4.340 -0.000 0.000 0.306 503 R C -1.137 175.095 176.300 -0.112 0.000 1.117 503 R CA -0.718 55.377 56.100 -0.007 0.000 1.108 503 R CB 0.385 30.703 30.300 0.031 0.000 1.126 503 R HN 0.166 nan 8.270 nan 0.000 0.548 504 L N 5.554 126.666 121.223 -0.186 0.000 2.313 504 L HA 0.339 4.679 4.340 -0.000 0.000 0.282 504 L C -0.644 176.167 176.870 -0.099 0.000 1.092 504 L CA 0.527 55.217 54.840 -0.250 0.000 0.831 504 L CB 0.919 42.729 42.059 -0.415 0.000 1.159 504 L HN 0.652 nan 8.230 nan 0.000 0.442 505 M N 8.431 127.994 119.600 -0.061 0.000 2.126 505 M HA 0.307 4.787 4.480 -0.000 0.000 0.217 505 M C -2.451 173.876 176.300 0.045 0.000 0.873 505 M CA -1.372 53.990 55.300 0.102 0.000 0.707 505 M CB 1.455 34.170 32.600 0.191 0.000 1.515 505 M HN 0.381 nan 8.290 nan 0.000 0.369 506 P HA 0.065 nan 4.420 nan 0.000 0.273 506 P C -1.090 175.845 177.300 -0.609 0.000 1.319 506 P CA 0.428 63.307 63.100 -0.367 0.000 0.885 506 P CB 0.043 31.507 31.700 -0.393 0.000 1.015 507 Y N 1.039 121.342 120.300 0.006 0.000 2.710 507 Y HA 0.226 4.776 4.550 0.000 0.000 0.278 507 Y C 1.298 177.226 175.900 0.047 0.000 1.014 507 Y CA -0.515 57.620 58.100 0.060 0.000 1.227 507 Y CB 0.507 39.087 38.460 0.199 0.000 1.408 507 Y HN 0.198 nan 8.280 nan 0.000 0.580 508 R N 3.039 123.629 120.500 0.149 0.000 2.308 508 R HA 0.629 4.969 4.340 -0.000 0.000 0.305 508 R C -0.519 175.806 176.300 0.041 0.000 1.053 508 R CA -0.202 55.960 56.100 0.103 0.000 0.957 508 R CB 0.481 30.828 30.300 0.079 0.000 1.022 508 R HN 0.374 nan 8.270 nan 0.000 0.461 509 I N -0.416 120.180 120.570 0.043 0.000 3.354 509 I HA 0.496 4.666 4.170 -0.000 0.000 0.316 509 I C -0.810 175.320 176.117 0.020 0.000 1.182 509 I CA -1.311 59.998 61.300 0.015 0.000 0.942 509 I CB 2.258 40.259 38.000 0.001 0.000 1.299 509 I HN 0.643 nan 8.210 nan 0.000 0.473 510 S N 0.869 116.575 115.700 0.010 0.000 2.554 510 S HA 0.354 4.824 4.470 -0.000 0.000 0.278 510 S C 0.444 175.051 174.600 0.012 0.000 1.242 510 S CA -0.772 57.435 58.200 0.013 0.000 1.051 510 S CB 1.255 64.461 63.200 0.010 0.000 0.986 510 S HN 0.708 nan 8.310 nan 0.000 0.502 511 N N 2.137 120.845 118.700 0.013 0.000 2.094 511 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 511 N C 2.054 177.569 175.510 0.008 0.000 1.023 511 N CA 1.652 54.709 53.050 0.012 0.000 0.857 511 N CB -1.067 37.425 38.487 0.010 0.000 1.013 511 N HN 0.854 nan 8.380 nan 0.000 0.426 512 A N 1.762 124.587 122.820 0.008 0.000 1.896 512 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 512 A C 2.141 179.726 177.584 0.001 0.000 1.206 512 A CA 1.946 53.987 52.037 0.006 0.000 0.647 512 A CB -0.797 18.210 19.000 0.011 0.000 0.828 512 A HN 0.426 nan 8.150 nan 0.000 0.455 513 E N -0.780 119.420 120.200 0.000 0.000 2.085 513 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 513 E C 2.322 178.915 176.600 -0.010 0.000 0.994 513 E CA 1.303 57.699 56.400 -0.007 0.000 0.801 513 E CB -0.225 29.469 29.700 -0.010 0.000 0.743 513 E HN 0.574 nan 8.360 nan 0.000 0.453 514 R N 0.693 121.191 120.500 -0.004 0.000 2.115 514 R HA -0.123 4.217 4.340 -0.000 0.000 0.230 514 R C 2.360 178.658 176.300 -0.002 0.000 1.111 514 R CA 1.063 57.163 56.100 -0.001 0.000 0.976 514 R CB -0.181 30.125 30.300 0.010 0.000 0.870 514 R HN 0.326 nan 8.270 nan 0.000 0.445 515 Q N 0.410 120.206 119.800 -0.007 0.000 2.016 515 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 515 Q C 2.231 178.213 176.000 -0.031 0.000 0.978 515 Q CA 0.912 56.703 55.803 -0.020 0.000 0.833 515 Q CB -0.065 28.661 28.738 -0.021 0.000 0.895 515 Q HN 0.226 nan 8.270 nan 0.000 0.427 516 I N 0.959 121.515 120.570 -0.024 0.000 2.145 516 I HA -0.312 3.858 4.170 -0.000 0.000 0.244 516 I C 2.556 178.652 176.117 -0.035 0.000 1.075 516 I CA 1.474 62.757 61.300 -0.029 0.000 1.332 516 I CB -1.170 36.816 38.000 -0.022 0.000 1.033 516 I HN 0.236 nan 8.210 nan 0.000 0.410 517 S N -0.232 115.450 115.700 -0.030 0.000 2.370 517 S HA -0.247 4.223 4.470 -0.000 0.000 0.226 517 S C 1.932 176.514 174.600 -0.029 0.000 1.033 517 S CA 1.450 59.631 58.200 -0.032 0.000 1.011 517 S CB -0.182 63.003 63.200 -0.025 0.000 0.852 517 S HN 0.464 nan 8.310 nan 0.000 0.457 518 Q N -0.265 119.525 119.800 -0.017 0.000 2.435 518 Q HA 0.105 4.445 4.340 -0.000 0.000 0.207 518 Q C 1.883 177.843 176.000 -0.067 0.000 0.956 518 Q CA 0.512 56.314 55.803 -0.002 0.000 0.917 518 Q CB -0.026 28.732 28.738 0.033 0.000 0.997 518 Q HN 0.633 nan 8.270 nan 0.000 0.497 519 I N 0.184 120.703 120.570 -0.085 0.000 2.406 519 I HA -0.236 3.934 4.170 -0.000 0.000 0.249 519 I C 1.902 177.963 176.117 -0.093 0.000 1.122 519 I CA 0.410 61.643 61.300 -0.112 0.000 1.431 519 I CB -0.069 37.883 38.000 -0.080 0.000 1.087 519 I HN 0.204 nan 8.210 nan 0.000 0.424 520 I N 0.803 121.328 120.570 -0.074 0.000 2.226 520 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 520 I C 2.625 178.682 176.117 -0.100 0.000 1.100 520 I CA 1.552 62.807 61.300 -0.075 0.000 1.374 520 I CB -1.140 36.821 38.000 -0.065 0.000 1.057 520 I HN 0.261 nan 8.210 nan 0.000 0.413 521 R N 0.468 120.902 120.500 -0.110 0.000 2.073 521 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 521 R C 2.354 178.523 176.300 -0.218 0.000 1.134 521 R CA 1.290 57.279 56.100 -0.185 0.000 0.952 521 R CB -0.242 29.953 30.300 -0.175 0.000 0.850 521 R HN 0.314 nan 8.270 nan 0.000 0.433 522 I N 0.584 121.063 120.570 -0.152 0.000 2.264 522 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 522 I C 2.368 178.424 176.117 -0.101 0.000 1.111 522 I CA 1.423 62.640 61.300 -0.138 0.000 1.382 522 I CB -0.220 37.630 38.000 -0.250 0.000 1.060 522 I HN 0.249 nan 8.210 nan 0.000 0.418 523 M N -0.078 119.466 119.600 -0.093 0.000 2.229 523 M HA -0.209 4.271 4.480 -0.000 0.000 0.264 523 M C 2.098 178.354 176.300 -0.073 0.000 1.063 523 M CA 1.514 56.777 55.300 -0.062 0.000 1.114 523 M CB -0.749 31.819 32.600 -0.053 0.000 1.387 523 M HN 0.355 nan 8.290 nan 0.000 0.420 524 N N 1.342 119.978 118.700 -0.108 0.000 2.166 524 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 524 N C 1.639 177.082 175.510 -0.113 0.000 1.019 524 N CA 1.091 54.071 53.050 -0.117 0.000 0.856 524 N CB 0.038 38.430 38.487 -0.158 0.000 0.993 524 N HN 0.301 nan 8.380 nan 0.000 0.426 525 I N 0.848 121.344 120.570 -0.125 0.000 2.091 525 I HA -0.215 3.955 4.170 -0.000 0.000 0.239 525 I C 1.491 177.575 176.117 -0.055 0.000 1.061 525 I CA 1.338 62.581 61.300 -0.096 0.000 1.317 525 I CB -1.037 36.925 38.000 -0.062 0.000 1.031 525 I HN 0.336 nan 8.210 nan 0.000 0.401 526 G N 2.250 111.031 108.800 -0.032 0.000 2.366 526 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.299 526 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.299 526 G C 0.278 175.171 174.900 -0.011 0.000 1.020 526 G CA 0.549 45.638 45.100 -0.019 0.000 1.026 526 G HN 0.588 nan 8.290 nan 0.000 0.512 527 N N -1.533 117.171 118.700 0.007 0.000 2.708 527 N HA -0.209 4.531 4.740 -0.000 0.000 0.251 527 N C 0.133 175.643 175.510 0.000 0.000 1.123 527 N CA 1.669 54.729 53.050 0.018 0.000 0.739 527 N CB -1.554 36.944 38.487 0.018 0.000 1.113 527 N HN 1.054 nan 8.380 nan 0.000 0.561 528 N N -0.098 118.587 118.700 -0.025 0.000 2.589 528 N HA 0.442 5.182 4.740 -0.000 0.000 0.232 528 N C 1.232 176.693 175.510 -0.081 0.000 1.015 528 N CA 0.349 53.370 53.050 -0.048 0.000 0.931 528 N CB 0.504 38.955 38.487 -0.059 0.000 1.150 528 N HN 0.207 nan 8.380 nan 0.000 0.512 529 A N 2.911 125.675 122.820 -0.094 0.000 1.940 529 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 529 A C 2.067 179.456 177.584 -0.324 0.000 1.190 529 A CA 2.213 54.114 52.037 -0.226 0.000 0.647 529 A CB -1.081 17.743 19.000 -0.293 0.000 0.821 529 A HN 0.719 nan 8.150 nan 0.000 0.457 530 T N -0.406 114.009 114.554 -0.232 0.000 2.714 530 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 530 T C 1.776 176.371 174.700 -0.175 0.000 1.036 530 T CA 1.821 63.803 62.100 -0.197 0.000 1.148 530 T CB -0.522 68.270 68.868 -0.127 0.000 0.856 530 T HN 0.257 nan 8.240 nan 0.000 0.462 531 V N 0.611 120.433 119.914 -0.153 0.000 2.548 531 V HA -0.054 4.066 4.120 -0.000 0.000 0.249 531 V C 2.201 178.206 176.094 -0.149 0.000 1.055 531 V CA 1.308 63.522 62.300 -0.144 0.000 1.065 531 V CB -0.508 31.232 31.823 -0.138 0.000 0.681 531 V HN 0.522 nan 8.190 nan 0.000 0.462 532 I N -1.108 119.376 120.570 -0.143 0.000 2.429 532 I HA -0.110 4.060 4.170 -0.000 0.000 0.247 532 I C 2.549 178.614 176.117 -0.086 0.000 1.099 532 I CA 0.649 61.895 61.300 -0.090 0.000 1.422 532 I CB -0.643 37.361 38.000 0.007 0.000 1.112 532 I HN 0.217 nan 8.210 nan 0.000 0.430 533 Q N 1.619 121.278 119.800 -0.235 0.000 2.160 533 Q HA -0.279 4.061 4.340 -0.000 0.000 0.219 533 Q C -0.531 175.461 176.000 -0.014 0.000 1.051 533 Q CA 3.008 58.679 55.803 -0.220 0.000 0.929 533 Q CB -1.708 26.787 28.738 -0.405 0.000 1.059 533 Q HN 0.313 nan 8.270 nan 0.000 0.428 534 P HA -0.087 nan 4.420 nan 0.000 0.214 534 P C 1.805 179.099 177.300 -0.010 0.000 1.162 534 P CA 1.624 64.708 63.100 -0.028 0.000 0.874 534 P CB -0.225 31.442 31.700 -0.054 0.000 0.784 535 V N -0.014 119.882 119.914 -0.031 0.000 2.220 535 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 535 V C 2.500 178.597 176.094 0.006 0.000 1.056 535 V CA 1.978 64.260 62.300 -0.029 0.000 1.016 535 V CB -1.588 30.174 31.823 -0.101 0.000 0.639 535 V HN 0.051 nan 8.190 nan 0.000 0.446 536 L N -0.568 120.668 121.223 0.022 0.000 1.971 536 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 536 L C 2.697 179.609 176.870 0.071 0.000 1.072 536 L CA 2.315 57.199 54.840 0.074 0.000 0.758 536 L CB -0.741 41.395 42.059 0.129 0.000 0.889 536 L HN 0.436 nan 8.230 nan 0.000 0.433 537 Q N 0.560 120.407 119.800 0.080 0.000 1.927 537 Q HA -0.265 4.075 4.340 -0.000 0.000 0.210 537 Q C 1.802 177.828 176.000 0.044 0.000 1.001 537 Q CA 2.284 58.126 55.803 0.065 0.000 0.862 537 Q CB -0.489 28.290 28.738 0.068 0.000 0.934 537 Q HN 0.339 nan 8.270 nan 0.000 0.420 538 D N -0.200 120.218 120.400 0.031 0.000 2.254 538 D HA -0.203 4.437 4.640 -0.000 0.000 0.201 538 D C 1.878 178.197 176.300 0.032 0.000 0.998 538 D CA 1.515 55.528 54.000 0.022 0.000 0.885 538 D CB -0.135 40.668 40.800 0.005 0.000 0.915 538 D HN 0.426 nan 8.370 nan 0.000 0.460 539 I N 0.857 121.453 120.570 0.044 0.000 2.277 539 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 539 I C 2.557 178.695 176.117 0.036 0.000 1.094 539 I CA 0.913 62.243 61.300 0.051 0.000 1.393 539 I CB -0.278 37.771 38.000 0.081 0.000 1.078 539 I HN -0.008 nan 8.210 nan 0.000 0.417 540 S N 0.637 116.353 115.700 0.027 0.000 2.420 540 S HA -0.137 4.333 4.470 -0.000 0.000 0.237 540 S C 1.875 176.495 174.600 0.033 0.000 1.023 540 S CA 1.243 59.450 58.200 0.011 0.000 0.991 540 S CB -0.921 62.286 63.200 0.013 0.000 0.792 540 S HN 0.254 nan 8.310 nan 0.000 0.488 541 V N 1.459 121.397 119.914 0.040 0.000 2.302 541 V HA -0.024 4.096 4.120 -0.000 0.000 0.243 541 V C 2.424 178.546 176.094 0.047 0.000 1.036 541 V CA 1.397 63.724 62.300 0.045 0.000 1.020 541 V CB -0.943 30.902 31.823 0.037 0.000 0.657 541 V HN 0.483 nan 8.190 nan 0.000 0.453 542 L N 0.176 121.424 121.223 0.043 0.000 1.978 542 L HA -0.223 4.117 4.340 -0.000 0.000 0.218 542 L C 2.272 179.181 176.870 0.065 0.000 1.075 542 L CA 2.024 56.893 54.840 0.049 0.000 0.767 542 L CB -0.852 41.237 42.059 0.050 0.000 0.890 542 L HN 0.199 nan 8.230 nan 0.000 0.434 543 L N -0.772 120.488 121.223 0.061 0.000 2.089 543 L HA -0.321 4.019 4.340 -0.000 0.000 0.213 543 L C 2.740 179.671 176.870 0.101 0.000 1.079 543 L CA 1.982 56.867 54.840 0.075 0.000 0.758 543 L CB -0.464 41.610 42.059 0.025 0.000 0.891 543 L HN 0.604 nan 8.230 nan 0.000 0.433 544 Q N 0.647 120.497 119.800 0.083 0.000 2.079 544 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 544 Q C 1.832 177.894 176.000 0.103 0.000 0.974 544 Q CA 1.479 57.337 55.803 0.092 0.000 0.840 544 Q CB 0.093 28.882 28.738 0.085 0.000 0.898 544 Q HN 0.530 nan 8.270 nan 0.000 0.430 545 R N -0.248 120.307 120.500 0.091 0.000 2.388 545 R HA 0.207 4.547 4.340 -0.000 0.000 0.247 545 R C 1.380 177.735 176.300 0.091 0.000 0.931 545 R CA 0.097 56.247 56.100 0.084 0.000 1.082 545 R CB 0.031 30.355 30.300 0.040 0.000 1.135 545 R HN 0.323 nan 8.270 nan 0.000 0.525 546 I N -0.009 120.650 120.570 0.149 0.000 4.227 546 I HA 0.124 4.294 4.170 -0.000 0.000 0.334 546 I C -0.236 176.112 176.117 0.385 0.000 1.341 546 I CA -0.132 61.275 61.300 0.179 0.000 1.123 546 I CB 0.993 39.086 38.000 0.155 0.000 1.097 546 I HN 0.082 nan 8.210 nan 0.000 0.399 547 S N 2.210 118.113 115.700 0.339 0.000 2.480 547 S HA 0.416 4.886 4.470 -0.000 0.000 0.286 547 S C -1.447 173.226 174.600 0.121 0.000 1.180 547 S CA -1.440 56.924 58.200 0.272 0.000 1.075 547 S CB 1.178 64.487 63.200 0.181 0.000 0.996 547 S HN 0.130 nan 8.310 nan 0.000 0.487 548 P HA 0.071 nan 4.420 nan 0.000 0.241 548 P C 0.384 177.359 177.300 -0.542 0.000 1.191 548 P CA -0.054 62.374 63.100 -1.119 0.000 0.771 548 P CB -0.038 30.531 31.700 -1.885 0.000 0.929 549 L N 1.092 122.063 121.223 -0.421 0.000 2.416 549 L HA 0.162 4.502 4.340 -0.000 0.000 0.272 549 L C -0.182 176.543 176.870 -0.242 0.000 1.161 549 L CA 0.452 55.081 54.840 -0.353 0.000 0.845 549 L CB 0.068 41.632 42.059 -0.824 0.000 1.119 549 L HN -0.074 nan 8.230 nan 0.000 0.464 550 Q N 5.501 125.188 119.800 -0.189 0.000 2.353 550 Q HA 0.535 4.875 4.340 -0.000 0.000 0.268 550 Q C -1.200 174.661 176.000 -0.231 0.000 1.045 550 Q CA -0.652 55.051 55.803 -0.165 0.000 0.811 550 Q CB 2.575 31.251 28.738 -0.104 0.000 1.305 550 Q HN 0.617 nan 8.270 nan 0.000 0.447 551 I N 1.744 122.141 120.570 -0.288 0.000 2.312 551 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 551 I C -0.637 175.314 176.117 -0.277 0.000 1.008 551 I CA -0.367 60.685 61.300 -0.413 0.000 1.226 551 I CB 1.092 38.608 38.000 -0.806 0.000 1.371 551 I HN 0.530 nan 8.210 nan 0.000 0.468 552 D N 8.904 129.180 120.400 -0.207 0.000 2.378 552 D HA 0.316 4.956 4.640 -0.000 0.000 0.265 552 D C -1.894 174.354 176.300 -0.086 0.000 1.229 552 D CA -2.106 51.827 54.000 -0.112 0.000 0.914 552 D CB 1.697 42.443 40.800 -0.089 0.000 1.140 552 D HN 0.094 nan 8.370 nan 0.000 0.516 553 P HA -0.211 nan 4.420 nan 0.000 0.217 553 P C 1.505 178.787 177.300 -0.031 0.000 1.151 553 P CA 1.851 64.941 63.100 -0.017 0.000 0.849 553 P CB 0.022 31.753 31.700 0.052 0.000 0.787 554 T N -2.541 111.997 114.554 -0.028 0.000 2.751 554 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 554 T C 1.711 176.386 174.700 -0.043 0.000 1.045 554 T CA 1.382 63.463 62.100 -0.032 0.000 1.142 554 T CB -1.496 67.355 68.868 -0.029 0.000 0.851 554 T HN 0.065 nan 8.240 nan 0.000 0.474 555 I N 0.727 121.266 120.570 -0.053 0.000 2.151 555 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 555 I C 2.600 178.683 176.117 -0.057 0.000 1.080 555 I CA 1.791 63.056 61.300 -0.058 0.000 1.339 555 I CB -0.425 37.532 38.000 -0.072 0.000 1.039 555 I HN 0.312 nan 8.210 nan 0.000 0.409 556 I N -0.097 120.437 120.570 -0.060 0.000 2.142 556 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 556 I C 2.679 178.755 176.117 -0.069 0.000 1.078 556 I CA 1.267 62.526 61.300 -0.068 0.000 1.343 556 I CB -0.452 37.506 38.000 -0.071 0.000 1.046 556 I HN 0.134 nan 8.210 nan 0.000 0.405 557 S N 1.199 116.864 115.700 -0.059 0.000 2.368 557 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 557 S C 1.725 176.294 174.600 -0.051 0.000 1.044 557 S CA 1.804 59.972 58.200 -0.055 0.000 1.062 557 S CB -0.515 62.659 63.200 -0.042 0.000 0.931 557 S HN 0.461 nan 8.310 nan 0.000 0.440 558 N N 0.693 119.366 118.700 -0.046 0.000 2.381 558 N HA -0.027 4.713 4.740 -0.000 0.000 0.182 558 N C 1.537 177.021 175.510 -0.043 0.000 1.025 558 N CA 1.145 54.171 53.050 -0.041 0.000 0.888 558 N CB -0.603 37.862 38.487 -0.037 0.000 0.965 558 N HN 0.402 nan 8.380 nan 0.000 0.438 559 T N 0.922 115.446 114.554 -0.050 0.000 2.978 559 T HA 0.115 4.465 4.350 -0.000 0.000 0.262 559 T C 1.909 176.576 174.700 -0.055 0.000 1.063 559 T CA 0.490 62.560 62.100 -0.050 0.000 1.140 559 T CB 0.131 68.968 68.868 -0.052 0.000 0.886 559 T HN 0.061 nan 8.240 nan 0.000 0.470 560 M N 1.193 120.753 119.600 -0.067 0.000 2.156 560 M HA 0.162 4.642 4.480 -0.000 0.000 0.264 560 M C 1.161 177.427 176.300 -0.056 0.000 1.067 560 M CA 0.702 55.958 55.300 -0.073 0.000 1.131 560 M CB -1.314 31.228 32.600 -0.097 0.000 1.368 560 M HN 0.117 nan 8.290 nan 0.000 0.416 561 S N 0.836 116.506 115.700 -0.050 0.000 3.682 561 S HA -0.106 4.364 4.470 -0.000 0.000 0.354 561 S C 0.154 174.730 174.600 -0.039 0.000 1.034 561 S CA 0.714 58.890 58.200 -0.041 0.000 1.084 561 S CB -1.566 61.613 63.200 -0.035 0.000 0.903 561 S HN 0.613 nan 8.310 nan 0.000 0.470 572 S N 3.707 119.364 115.700 -0.072 0.000 2.707 572 S HA 0.518 4.988 4.470 -0.000 0.000 0.312 572 S C -1.694 172.908 174.600 0.004 0.000 1.116 572 S CA -1.330 56.840 58.200 -0.051 0.000 1.078 572 S CB 1.495 64.673 63.200 -0.037 0.000 0.997 572 S HN 0.493 nan 8.310 nan 0.000 0.477 573 P HA -0.120 nan 4.420 nan 0.000 0.215 573 P C 1.428 178.844 177.300 0.193 0.000 1.153 573 P CA 1.515 64.737 63.100 0.202 0.000 0.853 573 P CB -0.006 31.787 31.700 0.154 0.000 0.788 574 A N 0.528 123.379 122.820 0.052 0.000 1.873 574 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 574 A C 2.546 180.077 177.584 -0.088 0.000 1.193 574 A CA 2.696 54.710 52.037 -0.039 0.000 0.629 574 A CB -1.614 17.361 19.000 -0.042 0.000 0.826 574 A HN 0.252 nan 8.150 nan 0.000 0.447 575 S N -0.740 114.930 115.700 -0.050 0.000 2.383 575 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 575 S C 2.279 176.838 174.600 -0.067 0.000 1.026 575 S CA 1.168 59.332 58.200 -0.060 0.000 0.981 575 S CB -0.380 62.799 63.200 -0.036 0.000 0.818 575 S HN 0.668 nan 8.310 nan 0.000 0.472 576 S N 1.583 117.278 115.700 -0.007 0.000 2.359 576 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 576 S C 1.892 176.391 174.600 -0.168 0.000 1.038 576 S CA 1.498 59.720 58.200 0.036 0.000 1.051 576 S CB -0.540 62.834 63.200 0.290 0.000 0.944 576 S HN 0.398 nan 8.310 nan 0.000 0.433 577 I N 1.565 121.802 120.570 -0.555 0.000 2.248 577 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 577 I C 2.007 177.844 176.117 -0.467 0.000 1.107 577 I CA 1.443 62.148 61.300 -0.991 0.000 1.373 577 I CB -0.418 36.637 38.000 -1.575 0.000 1.055 577 I HN 0.385 nan 8.210 nan 0.000 0.418 578 L N -0.019 121.019 121.223 -0.310 0.000 2.027 578 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 578 L C 2.513 179.305 176.870 -0.128 0.000 1.074 578 L CA 1.526 56.252 54.840 -0.189 0.000 0.745 578 L CB -1.294 40.682 42.059 -0.139 0.000 0.898 578 L HN 0.403 nan 8.230 nan 0.000 0.433 579 G N -0.719 108.020 108.800 -0.102 0.000 2.470 579 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 579 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 579 G C 1.654 176.525 174.900 -0.049 0.000 1.121 579 G CA 0.586 45.652 45.100 -0.058 0.000 0.766 579 G HN 0.176 nan 8.290 nan 0.000 0.553 580 K N -0.200 120.154 120.400 -0.076 0.000 2.137 580 K HA 0.265 4.585 4.320 -0.000 0.000 0.202 580 K C 2.383 178.957 176.600 -0.043 0.000 1.052 580 K CA 0.394 56.657 56.287 -0.040 0.000 0.961 580 K CB -0.193 32.285 32.500 -0.038 0.000 0.741 580 K HN 0.299 nan 8.250 nan 0.000 0.452 581 L N -0.056 121.118 121.223 -0.082 0.000 2.131 581 L HA 0.083 4.423 4.340 -0.000 0.000 0.206 581 L C 0.094 176.940 176.870 -0.041 0.000 1.087 581 L CA 0.213 55.021 54.840 -0.054 0.000 0.767 581 L CB -0.197 41.817 42.059 -0.074 0.000 0.917 581 L HN 0.176 nan 8.230 nan 0.000 0.441 582 R N -0.619 119.852 120.500 -0.050 0.000 2.873 582 R HA -0.153 4.187 4.340 -0.000 0.000 0.281 582 R C -2.030 174.249 176.300 -0.035 0.000 0.933 582 R CA -0.240 55.834 56.100 -0.043 0.000 0.712 582 R CB -1.129 29.146 30.300 -0.043 0.000 1.780 582 R HN 0.204 nan 8.270 nan 0.000 0.488 583 P HA -0.155 nan 4.420 nan 0.000 0.219 583 P C 1.238 178.543 177.300 0.008 0.000 1.150 583 P CA 1.462 64.564 63.100 0.003 0.000 0.814 583 P CB 0.168 31.860 31.700 -0.012 0.000 0.787 584 S N -0.736 114.956 115.700 -0.014 0.000 2.400 584 S HA -0.190 4.280 4.470 -0.000 0.000 0.232 584 S C 1.128 175.711 174.600 -0.029 0.000 1.025 584 S CA 0.721 58.912 58.200 -0.015 0.000 0.993 584 S CB -1.665 61.522 63.200 -0.022 0.000 0.808 584 S HN 0.172 nan 8.310 nan 0.000 0.478 585 N N 2.247 120.909 118.700 -0.063 0.000 2.438 585 N HA 0.119 4.859 4.740 -0.000 0.000 0.267 585 N C 0.470 175.854 175.510 -0.211 0.000 1.222 585 N CA 0.406 53.381 53.050 -0.125 0.000 0.930 585 N CB 0.676 39.071 38.487 -0.153 0.000 1.083 585 N HN 0.322 nan 8.380 nan 0.000 0.476 586 S N 1.148 116.745 115.700 -0.173 0.000 2.622 586 S HA 0.061 4.531 4.470 -0.000 0.000 0.236 586 S C -0.048 174.347 174.600 -0.341 0.000 0.956 586 S CA -0.729 57.385 58.200 -0.143 0.000 0.971 586 S CB -0.186 63.046 63.200 0.053 0.000 0.782 586 S HN 0.633 nan 8.310 nan 0.000 0.468 587 D N 0.848 120.920 120.400 -0.547 0.000 2.249 587 D HA 0.388 5.028 4.640 -0.000 0.000 0.246 587 D C -0.678 175.192 176.300 -0.716 0.000 1.114 587 D CA -0.709 53.048 54.000 -0.404 0.000 0.854 587 D CB 0.415 41.084 40.800 -0.218 0.000 1.132 587 D HN 0.251 nan 8.370 nan 0.000 0.461 588 F N 1.559 121.531 119.950 0.036 0.000 2.815 588 F HA 0.094 4.621 4.527 0.000 0.000 0.335 588 F C 2.104 177.965 175.800 0.101 0.000 1.179 588 F CA -0.371 57.668 58.000 0.064 0.000 1.204 588 F CB 0.143 39.179 39.000 0.060 0.000 1.050 588 F HN 0.332 nan 8.300 nan 0.000 0.510 589 S N -0.895 114.896 115.700 0.151 0.000 2.365 589 S HA -0.263 4.207 4.470 -0.000 0.000 0.225 589 S C 2.188 176.860 174.600 0.120 0.000 1.039 589 S CA 1.879 60.151 58.200 0.119 0.000 1.033 589 S CB -0.783 62.456 63.200 0.064 0.000 0.887 589 S HN 0.322 nan 8.310 nan 0.000 0.447 590 S N 1.462 117.232 115.700 0.116 0.000 2.392 590 S HA -0.091 4.379 4.470 -0.000 0.000 0.232 590 S C 1.356 176.047 174.600 0.153 0.000 1.041 590 S CA 1.536 59.800 58.200 0.107 0.000 1.026 590 S CB -0.662 62.600 63.200 0.102 0.000 0.845 590 S HN 0.579 nan 8.310 nan 0.000 0.465 591 F N 3.080 123.074 119.950 0.073 0.000 2.039 591 F HA -0.085 4.442 4.527 -0.000 0.000 0.294 591 F C 2.347 178.134 175.800 -0.022 0.000 1.130 591 F CA 1.328 59.351 58.000 0.038 0.000 1.189 591 F CB -0.405 38.639 39.000 0.073 0.000 0.983 591 F HN -0.038 nan 8.300 nan 0.000 0.471 592 R N 0.655 121.116 120.500 -0.065 0.000 2.082 592 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 592 R C 2.320 178.490 176.300 -0.217 0.000 1.136 592 R CA 1.750 57.724 56.100 -0.209 0.000 0.935 592 R CB -1.652 28.642 30.300 -0.009 0.000 0.842 592 R HN 0.320 nan 8.270 nan 0.000 0.430 593 V N 1.821 121.680 119.914 -0.091 0.000 2.278 593 V HA -0.302 3.818 4.120 -0.000 0.000 0.251 593 V C 2.644 178.653 176.094 -0.142 0.000 1.062 593 V CA 2.044 64.300 62.300 -0.072 0.000 1.038 593 V CB -1.129 30.683 31.823 -0.017 0.000 0.646 593 V HN 0.398 nan 8.190 nan 0.000 0.447 594 A N -0.302 122.416 122.820 -0.171 0.000 1.927 594 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 594 A C 2.232 179.508 177.584 -0.513 0.000 1.185 594 A CA 2.363 54.278 52.037 -0.204 0.000 0.639 594 A CB -0.577 18.330 19.000 -0.155 0.000 0.820 594 A HN 0.544 nan 8.150 nan 0.000 0.451 595 L N -1.375 119.392 121.223 -0.760 0.000 2.044 595 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 595 L C 3.116 179.592 176.870 -0.656 0.000 1.075 595 L CA 0.941 55.072 54.840 -1.182 0.000 0.747 595 L CB -0.677 40.808 42.059 -0.957 0.000 0.903 595 L HN 0.433 nan 8.230 nan 0.000 0.435 596 A N 0.571 123.201 122.820 -0.318 0.000 1.978 596 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 596 A C 2.354 179.968 177.584 0.050 0.000 1.170 596 A CA 1.769 53.758 52.037 -0.080 0.000 0.636 596 A CB -1.215 17.787 19.000 0.004 0.000 0.810 596 A HN 0.473 nan 8.150 nan 0.000 0.448 597 G N -1.521 107.292 108.800 0.021 0.000 2.432 597 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 597 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 597 G C 1.168 176.255 174.900 0.312 0.000 1.135 597 G CA 0.873 46.085 45.100 0.186 0.000 0.767 597 G HN 0.615 nan 8.290 nan 0.000 0.550 598 W N 0.783 122.099 121.300 0.027 0.000 2.387 598 W HA 0.062 4.722 4.660 -0.000 0.000 0.272 598 W C 2.261 178.764 176.519 -0.026 0.000 1.224 598 W CA 0.236 57.599 57.345 0.031 0.000 1.210 598 W CB -0.800 28.615 29.460 -0.075 0.000 1.125 598 W HN 0.215 nan 8.180 nan 0.000 0.572 599 L N -2.103 119.161 121.223 0.068 0.000 2.249 599 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 599 L C 0.607 177.157 176.870 -0.533 0.000 1.090 599 L CA 0.900 55.546 54.840 -0.324 0.000 0.802 599 L CB -0.541 41.153 42.059 -0.607 0.000 0.947 599 L HN -0.134 nan 8.230 nan 0.000 0.453 600 Y N -1.047 119.266 120.300 0.022 0.000 2.685 600 Y HA 0.144 4.694 4.550 0.000 0.000 0.339 600 Y C 1.275 177.214 175.900 0.065 0.000 0.961 600 Y CA -0.701 57.416 58.100 0.028 0.000 1.330 600 Y CB -0.498 37.995 38.460 0.056 0.000 1.269 600 Y HN 0.098 nan 8.280 nan 0.000 0.566 601 N N 0.312 119.060 118.700 0.080 0.000 2.573 601 N HA -0.088 4.652 4.740 -0.000 0.000 0.187 601 N C 1.768 177.219 175.510 -0.099 0.000 1.107 601 N CA 1.354 54.408 53.050 0.008 0.000 0.918 601 N CB -0.004 38.430 38.487 -0.089 0.000 0.966 601 N HN 0.460 nan 8.380 nan 0.000 0.448 602 G N -0.818 107.902 108.800 -0.133 0.000 2.887 602 G HA2 0.067 4.027 3.960 -0.000 0.000 0.211 602 G HA3 0.067 4.027 3.960 -0.000 0.000 0.211 602 G C 1.085 176.145 174.900 0.267 0.000 1.152 602 G CA 0.547 45.506 45.100 -0.234 0.000 0.769 602 G HN 0.365 nan 8.290 nan 0.000 0.541 603 V N -3.239 116.903 119.914 0.379 0.000 3.562 603 V HA 0.456 4.576 4.120 -0.000 0.000 0.270 603 V C 0.102 176.350 176.094 0.256 0.000 1.418 603 V CA -0.279 62.245 62.300 0.372 0.000 1.033 603 V CB 0.643 32.731 31.823 0.441 0.000 0.820 603 V HN -0.092 nan 8.190 nan 0.000 0.441 604 V N 0.901 120.958 119.914 0.239 0.000 2.638 604 V HA 0.633 4.753 4.120 -0.000 0.000 0.306 604 V C -0.421 175.769 176.094 0.161 0.000 1.052 604 V CA -0.020 62.400 62.300 0.200 0.000 0.885 604 V CB 1.781 33.737 31.823 0.222 0.000 0.999 604 V HN 0.370 nan 8.190 nan 0.000 0.424 605 T N 2.828 117.462 114.554 0.133 0.000 2.815 605 T HA 0.445 4.795 4.350 -0.000 0.000 0.289 605 T C 0.124 174.889 174.700 0.109 0.000 1.000 605 T CA -0.427 61.744 62.100 0.119 0.000 0.958 605 T CB 1.210 70.138 68.868 0.100 0.000 0.944 605 T HN 0.928 nan 8.240 nan 0.000 0.442 606 T N 0.769 115.397 114.554 0.124 0.000 2.910 606 T HA 0.734 5.084 4.350 -0.000 0.000 0.293 606 T C 0.239 175.007 174.700 0.114 0.000 1.015 606 T CA -0.624 61.536 62.100 0.100 0.000 1.094 606 T CB 0.850 69.787 68.868 0.116 0.000 0.968 606 T HN 0.621 nan 8.240 nan 0.000 0.521 607 V N -0.430 119.542 119.914 0.097 0.000 3.232 607 V HA 0.607 4.727 4.120 -0.000 0.000 0.303 607 V C -0.997 175.173 176.094 0.126 0.000 1.311 607 V CA -1.533 60.842 62.300 0.124 0.000 1.061 607 V CB 1.718 33.612 31.823 0.118 0.000 1.085 607 V HN 0.872 nan 8.190 nan 0.000 0.447 608 I N 2.090 122.767 120.570 0.178 0.000 2.395 608 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 608 I C 0.549 176.803 176.117 0.228 0.000 1.023 608 I CA 0.330 61.744 61.300 0.190 0.000 1.350 608 I CB 0.757 38.877 38.000 0.201 0.000 1.409 608 I HN 0.867 nan 8.210 nan 0.000 0.507 609 D N 5.988 126.484 120.400 0.160 0.000 2.533 609 D HA -0.114 4.526 4.640 -0.000 0.000 0.236 609 D C 1.123 177.551 176.300 0.214 0.000 1.137 609 D CA 0.033 54.117 54.000 0.140 0.000 0.867 609 D CB 1.078 41.936 40.800 0.096 0.000 1.170 609 D HN 0.534 nan 8.370 nan 0.000 0.474 610 D N 1.828 122.306 120.400 0.130 0.000 2.203 610 D HA -0.269 4.371 4.640 -0.000 0.000 0.199 610 D C 1.557 177.972 176.300 0.192 0.000 0.997 610 D CA 1.759 55.803 54.000 0.073 0.000 0.863 610 D CB -0.659 40.127 40.800 -0.023 0.000 0.928 610 D HN 0.377 nan 8.370 nan 0.000 0.458 611 S N -0.345 115.447 115.700 0.153 0.000 2.440 611 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 611 S C 1.928 176.633 174.600 0.175 0.000 1.010 611 S CA 1.013 59.296 58.200 0.139 0.000 0.972 611 S CB -0.486 62.770 63.200 0.092 0.000 0.774 611 S HN 0.192 nan 8.310 nan 0.000 0.501 612 S N 0.351 116.186 115.700 0.225 0.000 2.561 612 S HA 0.268 4.738 4.470 -0.000 0.000 0.225 612 S C -0.146 174.529 174.600 0.124 0.000 0.977 612 S CA -0.080 58.207 58.200 0.146 0.000 0.926 612 S CB -0.235 63.012 63.200 0.079 0.000 0.769 612 S HN 0.591 nan 8.310 nan 0.000 0.533 613 Y N 1.535 121.882 120.300 0.078 0.000 2.334 613 Y HA 0.373 4.923 4.550 0.000 0.000 0.325 613 Y C -2.223 173.724 175.900 0.078 0.000 1.308 613 Y CA -2.661 55.491 58.100 0.087 0.000 1.389 613 Y CB -0.573 37.935 38.460 0.081 0.000 1.328 613 Y HN -0.061 nan 8.280 nan 0.000 0.532 614 P HA 0.027 nan 4.420 nan 0.000 0.267 614 P C -0.624 176.749 177.300 0.123 0.000 1.205 614 P CA -0.211 62.974 63.100 0.143 0.000 0.765 614 P CB 0.426 32.192 31.700 0.111 0.000 0.828 615 K N 3.374 123.831 120.400 0.095 0.000 2.524 615 K HA -0.094 4.226 4.320 -0.000 0.000 0.279 615 K C 0.343 176.978 176.600 0.058 0.000 0.993 615 K CA 0.810 57.141 56.287 0.073 0.000 1.030 615 K CB -0.055 32.481 32.500 0.060 0.000 0.891 615 K HN 0.586 nan 8.250 nan 0.000 0.488 616 D N 2.040 122.469 120.400 0.049 0.000 2.955 616 D HA -0.249 4.391 4.640 -0.000 0.000 0.226 616 D C 0.851 177.172 176.300 0.036 0.000 1.178 616 D CA 1.458 55.480 54.000 0.037 0.000 0.808 616 D CB -1.118 39.700 40.800 0.030 0.000 1.099 616 D HN 0.997 nan 8.370 nan 0.000 0.421 617 G N -0.929 107.902 108.800 0.051 0.000 2.345 617 G HA2 0.070 4.030 3.960 -0.000 0.000 0.218 617 G HA3 0.070 4.030 3.960 -0.000 0.000 0.218 617 G C 0.836 175.758 174.900 0.037 0.000 1.058 617 G CA 0.828 45.957 45.100 0.048 0.000 0.632 617 G HN 1.630 nan 8.290 nan 0.000 0.508 618 G N -1.290 107.523 108.800 0.023 0.000 2.756 618 G HA2 0.415 4.375 3.960 -0.000 0.000 0.678 618 G HA3 0.415 4.375 3.960 -0.000 0.000 0.678 618 G C -0.228 174.643 174.900 -0.047 0.000 1.349 618 G CA 1.013 46.112 45.100 -0.002 0.000 0.847 618 G HN 2.213 nan 8.290 nan 0.000 0.548 619 S N -1.668 113.977 115.700 -0.091 0.000 2.562 619 S HA 0.525 4.995 4.470 -0.000 0.000 0.274 619 S C 1.027 175.476 174.600 -0.251 0.000 1.160 619 S CA 0.681 58.786 58.200 -0.158 0.000 0.933 619 S CB 1.351 64.480 63.200 -0.119 0.000 1.100 619 S HN 2.251 nan 8.310 nan 0.000 0.468 620 V N 2.888 122.583 119.914 -0.365 0.000 3.244 620 V HA -0.008 4.112 4.120 -0.000 0.000 0.273 620 V C 1.632 177.423 176.094 -0.505 0.000 1.180 620 V CA 2.200 64.232 62.300 -0.447 0.000 1.182 620 V CB -1.961 29.557 31.823 -0.507 0.000 0.796 620 V HN 0.982 nan 8.190 nan 0.000 0.543 621 T N -3.456 110.825 114.554 -0.455 0.000 3.044 621 T HA 0.156 4.506 4.350 -0.000 0.000 0.250 621 T C 1.009 175.527 174.700 -0.303 0.000 1.081 621 T CA 0.696 62.517 62.100 -0.465 0.000 1.040 621 T CB 0.013 68.688 68.868 -0.321 0.000 0.962 621 T HN 0.567 nan 8.240 nan 0.000 0.506 622 S N 1.330 116.931 115.700 -0.164 0.000 2.438 622 S HA 0.414 4.884 4.470 -0.000 0.000 0.293 622 S C 0.978 175.595 174.600 0.028 0.000 1.141 622 S CA -0.964 57.233 58.200 -0.006 0.000 1.080 622 S CB 0.880 64.079 63.200 -0.002 0.000 0.978 622 S HN 0.310 nan 8.310 nan 0.000 0.479 623 L N 5.598 126.942 121.223 0.202 0.000 2.013 623 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 623 L C 2.238 179.079 176.870 -0.047 0.000 1.073 623 L CA 2.389 57.304 54.840 0.125 0.000 0.753 623 L CB -1.105 41.049 42.059 0.158 0.000 0.890 623 L HN 0.956 nan 8.230 nan 0.000 0.432 624 E N -0.687 119.562 120.200 0.082 0.000 2.070 624 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 624 E C 1.910 178.583 176.600 0.121 0.000 1.004 624 E CA 1.505 57.997 56.400 0.154 0.000 0.805 624 E CB -0.077 29.704 29.700 0.135 0.000 0.744 624 E HN 0.614 nan 8.360 nan 0.000 0.451 625 N N 0.639 119.368 118.700 0.048 0.000 2.104 625 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 625 N C 2.095 177.621 175.510 0.028 0.000 1.024 625 N CA 0.973 54.046 53.050 0.038 0.000 0.853 625 N CB -0.417 38.060 38.487 -0.017 0.000 1.008 625 N HN 0.246 nan 8.380 nan 0.000 0.424 626 L N -0.740 120.421 121.223 -0.104 0.000 2.081 626 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 626 L C 2.229 179.106 176.870 0.011 0.000 1.080 626 L CA 1.300 56.043 54.840 -0.162 0.000 0.754 626 L CB -0.447 41.358 42.059 -0.423 0.000 0.893 626 L HN 0.293 nan 8.230 nan 0.000 0.433 627 W N 0.154 121.510 121.300 0.093 0.000 2.388 627 W HA -0.160 4.500 4.660 -0.000 0.000 0.294 627 W C 2.396 178.998 176.519 0.138 0.000 1.212 627 W CA -0.084 57.315 57.345 0.091 0.000 1.271 627 W CB -0.097 29.384 29.460 0.036 0.000 1.126 627 W HN 0.163 nan 8.180 nan 0.000 0.535 628 D N 0.255 120.860 120.400 0.340 0.000 2.092 628 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 628 D C 1.756 178.178 176.300 0.203 0.000 0.994 628 D CA 1.487 55.620 54.000 0.221 0.000 0.828 628 D CB -0.859 40.037 40.800 0.160 0.000 0.963 628 D HN 0.057 nan 8.370 nan 0.000 0.450 629 F N 1.382 121.368 119.950 0.059 0.000 2.065 629 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 629 F C 2.104 177.936 175.800 0.053 0.000 1.112 629 F CA 1.143 59.140 58.000 -0.005 0.000 1.212 629 F CB -0.857 38.085 39.000 -0.097 0.000 0.975 629 F HN -0.103 nan 8.300 nan 0.000 0.476 630 F N 1.041 120.901 119.950 -0.149 0.000 2.000 630 F HA -0.277 4.250 4.527 -0.000 0.000 0.296 630 F C 2.357 178.052 175.800 -0.174 0.000 1.159 630 F CA 2.419 60.289 58.000 -0.217 0.000 1.183 630 F CB -1.047 38.035 39.000 0.138 0.000 0.959 630 F HN 0.019 nan 8.300 nan 0.000 0.490 631 I N -0.222 120.412 120.570 0.106 0.000 2.182 631 I HA -0.366 3.804 4.170 -0.000 0.000 0.248 631 I C 2.342 178.365 176.117 -0.156 0.000 1.073 631 I CA 1.449 62.729 61.300 -0.034 0.000 1.335 631 I CB -0.635 37.425 38.000 0.101 0.000 1.031 631 I HN 0.338 nan 8.210 nan 0.000 0.420 632 L N 0.885 122.014 121.223 -0.157 0.000 1.961 632 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 632 L C 2.666 179.448 176.870 -0.146 0.000 1.075 632 L CA 2.307 57.043 54.840 -0.174 0.000 0.749 632 L CB -1.029 40.904 42.059 -0.210 0.000 0.890 632 L HN 0.205 nan 8.230 nan 0.000 0.433 633 A N -0.821 121.857 122.820 -0.237 0.000 1.927 633 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 633 A C 2.223 179.883 177.584 0.126 0.000 1.185 633 A CA 2.233 54.260 52.037 -0.017 0.000 0.639 633 A CB -1.099 17.693 19.000 -0.348 0.000 0.820 633 A HN 0.465 nan 8.150 nan 0.000 0.451 634 L N -1.322 119.789 121.223 -0.187 0.000 2.275 634 L HA 0.039 4.379 4.340 -0.000 0.000 0.215 634 L C 2.480 179.317 176.870 -0.054 0.000 1.119 634 L CA 1.789 56.546 54.840 -0.138 0.000 0.790 634 L CB -0.503 41.229 42.059 -0.545 0.000 0.919 634 L HN 0.385 nan 8.230 nan 0.000 0.443 635 A N -2.091 120.692 122.820 -0.062 0.000 2.085 635 A HA 0.151 4.471 4.320 -0.000 0.000 0.208 635 A C 2.083 179.663 177.584 -0.007 0.000 1.191 635 A CA 0.106 52.128 52.037 -0.024 0.000 0.799 635 A CB -0.272 18.725 19.000 -0.005 0.000 0.877 635 A HN 0.304 nan 8.150 nan 0.000 0.473 636 L N 0.040 121.274 121.223 0.017 0.000 2.021 636 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 636 L C -0.613 176.273 176.870 0.026 0.000 1.074 636 L CA 1.891 56.787 54.840 0.093 0.000 0.760 636 L CB -1.454 40.756 42.059 0.251 0.000 0.889 636 L HN 0.208 nan 8.230 nan 0.000 0.433 637 P HA -0.200 nan 4.420 nan 0.000 0.221 637 P C 1.448 178.631 177.300 -0.194 0.000 1.141 637 P CA 1.350 64.111 63.100 -0.565 0.000 0.794 637 P CB -0.007 31.006 31.700 -1.144 0.000 0.764 638 L N -1.982 119.230 121.223 -0.019 0.000 2.592 638 L HA 0.090 4.430 4.340 -0.000 0.000 0.227 638 L C 1.033 178.069 176.870 0.276 0.000 1.127 638 L CA 0.237 55.186 54.840 0.182 0.000 0.884 638 L CB -0.877 41.297 42.059 0.192 0.000 1.065 638 L HN 0.081 nan 8.230 nan 0.000 0.457 639 T N -4.245 110.423 114.554 0.191 0.000 2.922 639 T HA 0.159 4.509 4.350 -0.000 0.000 0.285 639 T C 1.278 176.111 174.700 0.222 0.000 1.005 639 T CA -0.126 62.103 62.100 0.214 0.000 1.061 639 T CB 1.634 70.609 68.868 0.177 0.000 1.007 639 T HN 0.195 nan 8.240 nan 0.000 0.502 640 T N -1.699 113.006 114.554 0.251 0.000 3.055 640 T HA -0.010 4.340 4.350 -0.000 0.000 0.265 640 T C 0.688 175.514 174.700 0.210 0.000 1.111 640 T CA 0.214 62.480 62.100 0.277 0.000 1.118 640 T CB -0.508 68.540 68.868 0.300 0.000 0.909 640 T HN 0.738 nan 8.240 nan 0.000 0.501 641 D N 4.237 124.744 120.400 0.178 0.000 2.661 641 D HA -0.022 4.618 4.640 -0.000 0.000 0.244 641 D C -0.922 175.468 176.300 0.151 0.000 1.196 641 D CA -1.629 52.462 54.000 0.152 0.000 0.881 641 D CB 1.066 41.958 40.800 0.152 0.000 1.141 641 D HN 0.193 nan 8.370 nan 0.000 0.530 642 P HA -0.078 nan 4.420 nan 0.000 0.231 642 P C 0.626 178.039 177.300 0.188 0.000 1.158 642 P CA 0.328 63.516 63.100 0.147 0.000 0.763 642 P CB 0.122 31.888 31.700 0.110 0.000 0.805 643 C N -1.109 118.282 119.300 0.152 0.000 2.974 643 C HA 0.474 4.934 4.460 -0.000 0.000 0.282 643 C C 2.663 177.596 174.990 -0.094 0.000 1.292 643 C CA 0.167 59.241 59.018 0.092 0.000 1.710 643 C CB -1.435 26.411 27.740 0.177 0.000 2.036 643 C HN 0.240 nan 8.230 nan 0.000 0.629 644 A N 2.910 125.714 122.820 -0.027 0.000 1.869 644 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 644 A C 0.012 177.450 177.584 -0.244 0.000 1.203 644 A CA 2.200 54.251 52.037 0.023 0.000 0.638 644 A CB -1.882 17.287 19.000 0.282 0.000 0.831 644 A HN 0.409 nan 8.150 nan 0.000 0.450 645 P HA -0.184 nan 4.420 nan 0.000 0.216 645 P C 1.689 178.527 177.300 -0.770 0.000 1.167 645 P CA 1.994 64.449 63.100 -1.074 0.000 0.914 645 P CB -0.244 30.693 31.700 -1.271 0.000 0.793 646 V N -0.020 119.244 119.914 -1.084 0.000 2.324 646 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 646 V C 2.247 177.961 176.094 -0.634 0.000 1.060 646 V CA 2.015 63.550 62.300 -1.275 0.000 1.042 646 V CB -1.102 29.911 31.823 -1.350 0.000 0.650 646 V HN 0.203 nan 8.190 nan 0.000 0.450 647 K N 0.211 120.414 120.400 -0.330 0.000 2.057 647 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 647 K C 2.330 178.988 176.600 0.097 0.000 1.050 647 K CA 1.409 57.664 56.287 -0.054 0.000 0.935 647 K CB -0.466 32.126 32.500 0.153 0.000 0.715 647 K HN 0.471 nan 8.250 nan 0.000 0.439 648 A N 1.184 124.088 122.820 0.139 0.000 1.978 648 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 648 A C 1.930 179.863 177.584 0.581 0.000 1.170 648 A CA 1.267 53.550 52.037 0.410 0.000 0.636 648 A CB -0.542 18.762 19.000 0.508 0.000 0.810 648 A HN 0.354 nan 8.150 nan 0.000 0.448 649 F N -0.236 119.734 119.950 0.033 0.000 2.059 649 F HA -0.047 4.480 4.527 -0.000 0.000 0.289 649 F C 2.216 178.089 175.800 0.121 0.000 1.128 649 F CA 1.639 59.660 58.000 0.035 0.000 1.181 649 F CB -0.393 38.441 39.000 -0.277 0.000 1.012 649 F HN 0.065 nan 8.300 nan 0.000 0.473 650 M N 0.732 120.167 119.600 -0.275 0.000 2.146 650 M HA -0.249 4.231 4.480 -0.000 0.000 0.256 650 M C 2.058 178.238 176.300 -0.199 0.000 1.075 650 M CA 2.090 57.136 55.300 -0.424 0.000 1.082 650 M CB -2.034 30.188 32.600 -0.631 0.000 1.355 650 M HN 0.253 nan 8.290 nan 0.000 0.402 651 T N 1.260 115.827 114.554 0.022 0.000 2.624 651 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 651 T C 1.836 176.507 174.700 -0.050 0.000 1.041 651 T CA 1.708 63.878 62.100 0.117 0.000 1.159 651 T CB -0.473 68.572 68.868 0.294 0.000 0.863 651 T HN 0.285 nan 8.240 nan 0.000 0.434 652 L N 1.151 122.287 121.223 -0.146 0.000 2.056 652 L HA 0.129 4.469 4.340 -0.000 0.000 0.207 652 L C 2.626 179.289 176.870 -0.344 0.000 1.078 652 L CA 1.775 56.332 54.840 -0.472 0.000 0.749 652 L CB -1.023 40.598 42.059 -0.730 0.000 0.901 652 L HN 0.245 nan 8.230 nan 0.000 0.433 653 A N -0.613 121.990 122.820 -0.361 0.000 1.978 653 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 653 A C 2.099 179.581 177.584 -0.170 0.000 1.170 653 A CA 2.213 54.059 52.037 -0.319 0.000 0.636 653 A CB -0.978 17.735 19.000 -0.479 0.000 0.810 653 A HN 0.703 nan 8.150 nan 0.000 0.448 654 N N -0.717 117.898 118.700 -0.142 0.000 2.062 654 N HA -0.122 4.618 4.740 -0.000 0.000 0.191 654 N C 1.802 177.266 175.510 -0.077 0.000 1.042 654 N CA 1.688 54.699 53.050 -0.065 0.000 0.845 654 N CB -0.260 38.216 38.487 -0.019 0.000 1.024 654 N HN 0.450 nan 8.380 nan 0.000 0.424 655 M N 0.083 119.606 119.600 -0.129 0.000 2.346 655 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 655 M C 1.543 177.738 176.300 -0.176 0.000 1.064 655 M CA 0.998 56.200 55.300 -0.163 0.000 1.083 655 M CB -0.024 32.428 32.600 -0.246 0.000 1.399 655 M HN 0.214 nan 8.290 nan 0.000 0.435 656 M N -0.009 119.501 119.600 -0.149 0.000 2.619 656 M HA 0.048 4.528 4.480 -0.000 0.000 0.251 656 M C 0.235 176.575 176.300 0.067 0.000 1.106 656 M CA 0.414 55.675 55.300 -0.065 0.000 1.086 656 M CB -0.652 31.917 32.600 -0.052 0.000 1.465 656 M HN -0.062 nan 8.290 nan 0.000 0.506 657 V N 1.494 121.434 119.914 0.043 0.000 2.539 657 V HA 0.157 4.277 4.120 -0.000 0.000 0.300 657 V C 1.450 177.653 176.094 0.183 0.000 1.019 657 V CA 1.156 63.508 62.300 0.087 0.000 1.160 657 V CB -0.503 31.352 31.823 0.052 0.000 0.901 657 V HN 0.827 nan 8.190 nan 0.000 0.481 658 G N 3.786 112.683 108.800 0.162 0.000 2.179 658 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 658 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 658 G C 0.146 175.024 174.900 -0.038 0.000 0.990 658 G CA 0.320 45.483 45.100 0.105 0.000 0.646 658 G HN 0.608 nan 8.290 nan 0.000 0.517 659 F N 0.306 120.211 119.950 -0.075 0.000 2.455 659 F HA 0.442 4.969 4.527 -0.000 0.000 0.278 659 F C 1.199 176.959 175.800 -0.068 0.000 0.887 659 F CA 0.398 58.318 58.000 -0.134 0.000 1.104 659 F CB 0.521 39.426 39.000 -0.158 0.000 0.949 659 F HN 0.134 nan 8.300 nan 0.000 0.750 660 E N -0.381 119.947 120.200 0.213 0.000 2.336 660 E HA 0.565 4.915 4.350 -0.000 0.000 0.267 660 E C -1.005 175.655 176.600 0.100 0.000 0.906 660 E CA -0.714 55.774 56.400 0.147 0.000 0.781 660 E CB 2.631 32.446 29.700 0.192 0.000 1.261 660 E HN 0.028 nan 8.360 nan 0.000 0.436 661 T N -0.842 113.762 114.554 0.083 0.000 2.971 661 T HA 0.627 4.977 4.350 -0.000 0.000 0.304 661 T C -0.238 174.516 174.700 0.090 0.000 1.038 661 T CA -0.859 61.286 62.100 0.075 0.000 1.007 661 T CB 0.378 69.280 68.868 0.057 0.000 1.055 661 T HN 0.474 nan 8.240 nan 0.000 0.451 662 I N 0.426 121.058 120.570 0.104 0.000 2.707 662 I HA 0.812 4.982 4.170 -0.000 0.000 0.309 662 I C -2.552 173.638 176.117 0.122 0.000 1.001 662 I CA -2.924 58.457 61.300 0.135 0.000 1.129 662 I CB 1.886 40.004 38.000 0.197 0.000 1.308 662 I HN 0.392 nan 8.210 nan 0.000 0.466 663 P HA 0.354 nan 4.420 nan 0.000 0.292 663 P C -1.233 176.144 177.300 0.129 0.000 1.287 663 P CA -0.367 62.797 63.100 0.107 0.000 0.800 663 P CB 1.507 33.260 31.700 0.088 0.000 0.945 664 M N 2.791 122.464 119.600 0.123 0.000 2.264 664 M HA 0.141 4.621 4.480 -0.000 0.000 0.352 664 M C 1.276 177.642 176.300 0.110 0.000 1.173 664 M CA -0.391 54.994 55.300 0.142 0.000 1.075 664 M CB 1.061 33.754 32.600 0.156 0.000 1.621 664 M HN 0.374 nan 8.290 nan 0.000 0.457 665 D N 0.862 121.331 120.400 0.115 0.000 2.277 665 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 665 D C 0.281 176.610 176.300 0.047 0.000 0.962 665 D CA 0.434 54.483 54.000 0.082 0.000 0.865 665 D CB 0.355 41.212 40.800 0.095 0.000 0.939 665 D HN 0.620 nan 8.370 nan 0.000 0.510 666 N N 1.209 119.932 118.700 0.038 0.000 2.430 666 N HA 0.030 4.770 4.740 -0.000 0.000 0.292 666 N C 0.911 176.422 175.510 0.001 0.000 1.051 666 N CA -0.323 52.708 53.050 -0.032 0.000 0.917 666 N CB 1.438 39.827 38.487 -0.163 0.000 1.164 666 N HN -0.046 nan 8.380 nan 0.000 0.484 667 Q N 2.952 122.745 119.800 -0.012 0.000 2.482 667 Q HA 0.050 4.390 4.340 -0.000 0.000 0.209 667 Q C 0.744 176.758 176.000 0.023 0.000 0.961 667 Q CA 0.731 56.542 55.803 0.014 0.000 0.945 667 Q CB 0.150 28.893 28.738 0.008 0.000 1.012 667 Q HN 0.685 nan 8.270 nan 0.000 0.515 668 I N -0.817 119.754 120.570 0.002 0.000 2.962 668 I HA 0.048 4.218 4.170 -0.000 0.000 0.246 668 I C 0.636 176.881 176.117 0.215 0.000 1.091 668 I CA -0.316 61.018 61.300 0.056 0.000 1.469 668 I CB 0.117 38.100 38.000 -0.029 0.000 1.324 668 I HN 0.091 nan 8.210 nan 0.000 0.461 669 Y N 2.689 123.012 120.300 0.039 0.000 2.425 669 Y HA 0.104 4.654 4.550 -0.000 0.000 0.331 669 Y C 1.124 177.066 175.900 0.069 0.000 1.157 669 Y CA -0.805 57.321 58.100 0.043 0.000 1.372 669 Y CB 0.592 39.074 38.460 0.036 0.000 1.253 669 Y HN 0.233 nan 8.280 nan 0.000 0.536 670 T N -1.468 113.222 114.554 0.226 0.000 2.893 670 T HA 0.086 4.436 4.350 -0.000 0.000 0.281 670 T C 0.633 175.433 174.700 0.167 0.000 1.027 670 T CA -0.872 61.324 62.100 0.160 0.000 0.953 670 T CB 1.330 70.263 68.868 0.108 0.000 1.434 670 T HN 0.710 nan 8.240 nan 0.000 0.597 671 Q N -0.527 119.348 119.800 0.125 0.000 2.444 671 Q HA 0.127 4.467 4.340 -0.000 0.000 0.206 671 Q C 1.159 177.210 176.000 0.085 0.000 0.948 671 Q CA 0.216 56.085 55.803 0.111 0.000 0.946 671 Q CB -0.127 28.660 28.738 0.081 0.000 1.027 671 Q HN 0.650 nan 8.270 nan 0.000 0.513 672 S N -0.071 115.679 115.700 0.084 0.000 2.540 672 S HA 0.116 4.586 4.470 -0.000 0.000 0.218 672 S C 0.314 174.954 174.600 0.067 0.000 0.977 672 S CA -0.434 57.802 58.200 0.061 0.000 0.918 672 S CB 0.150 63.378 63.200 0.045 0.000 0.806 672 S HN 0.261 nan 8.310 nan 0.000 0.496 673 R N 3.650 124.204 120.500 0.091 0.000 2.501 673 R HA -0.030 4.310 4.340 -0.000 0.000 0.319 673 R C -0.147 176.236 176.300 0.139 0.000 0.913 673 R CA 0.164 56.291 56.100 0.045 0.000 1.104 673 R CB 0.082 30.392 30.300 0.016 0.000 0.901 673 R HN 0.010 nan 8.270 nan 0.000 0.407 674 R N 3.561 124.091 120.500 0.050 0.000 2.678 674 R HA -0.104 4.236 4.340 -0.000 0.000 0.264 674 R C 1.010 177.412 176.300 0.169 0.000 0.995 674 R CA 0.785 56.923 56.100 0.064 0.000 1.098 674 R CB -0.350 29.943 30.300 -0.013 0.000 0.949 674 R HN 0.873 nan 8.270 nan 0.000 0.422 675 A N 2.214 125.115 122.820 0.136 0.000 1.855 675 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 675 A C 1.841 179.496 177.584 0.119 0.000 1.191 675 A CA 1.840 53.978 52.037 0.168 0.000 0.613 675 A CB -0.661 18.459 19.000 0.200 0.000 0.829 675 A HN 0.784 nan 8.150 nan 0.000 0.442 676 S N -0.005 115.532 115.700 -0.272 0.000 2.559 676 S HA 0.102 4.572 4.470 -0.000 0.000 0.250 676 S C 1.423 175.949 174.600 -0.124 0.000 0.977 676 S CA 1.013 58.962 58.200 -0.420 0.000 0.958 676 S CB -0.473 62.257 63.200 -0.783 0.000 0.751 676 S HN 0.873 nan 8.310 nan 0.000 0.534 677 A N 0.339 123.154 122.820 -0.007 0.000 2.169 677 A HA 0.455 4.775 4.320 -0.000 0.000 0.210 677 A C 0.497 178.012 177.584 -0.116 0.000 1.168 677 A CA -0.299 51.682 52.037 -0.093 0.000 0.813 677 A CB -0.307 18.566 19.000 -0.213 0.000 0.861 677 A HN 0.473 nan 8.150 nan 0.000 0.481 678 F N 2.000 121.901 119.950 -0.082 0.000 2.662 678 F HA 0.126 4.653 4.527 0.000 0.000 0.365 678 F C 1.714 177.502 175.800 -0.020 0.000 1.222 678 F CA 0.245 58.209 58.000 -0.060 0.000 1.315 678 F CB -0.201 38.749 39.000 -0.083 0.000 1.711 678 F HN 0.255 nan 8.300 nan 0.000 0.651 679 S N -1.953 113.798 115.700 0.085 0.000 2.478 679 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 679 S C 0.852 175.522 174.600 0.117 0.000 1.008 679 S CA 0.316 58.576 58.200 0.100 0.000 0.928 679 S CB -0.400 62.841 63.200 0.069 0.000 0.781 679 S HN 0.390 nan 8.310 nan 0.000 0.518 680 T N -0.546 114.058 114.554 0.083 0.000 2.942 680 T HA 0.542 4.892 4.350 -0.000 0.000 0.289 680 T C -2.604 172.071 174.700 -0.041 0.000 1.044 680 T CA -1.967 60.178 62.100 0.075 0.000 1.023 680 T CB 1.385 70.375 68.868 0.203 0.000 1.123 680 T HN -0.235 nan 8.240 nan 0.000 0.512 681 P HA -0.152 nan 4.420 nan 0.000 0.218 681 P C 1.563 178.352 177.300 -0.852 0.000 1.149 681 P CA 0.976 63.588 63.100 -0.814 0.000 0.817 681 P CB -0.221 30.913 31.700 -0.942 0.000 0.785 682 H N -1.139 117.648 119.070 -0.472 0.000 2.543 682 H HA 0.004 4.560 4.556 0.000 0.000 0.286 682 H C 0.857 176.183 175.328 -0.004 0.000 1.037 682 H CA 1.790 57.703 56.048 -0.225 0.000 1.250 682 H CB -1.193 28.600 29.762 0.051 0.000 1.373 682 H HN 0.161 nan 8.280 nan 0.000 0.580 683 T N -4.084 110.166 114.554 -0.508 0.000 3.081 683 T HA -0.006 4.344 4.350 -0.000 0.000 0.250 683 T C 0.258 175.169 174.700 0.352 0.000 1.100 683 T CA -0.694 61.331 62.100 -0.124 0.000 1.038 683 T CB -0.519 68.181 68.868 -0.279 0.000 0.962 683 T HN 0.138 nan 8.240 nan 0.000 0.516 684 W N 4.766 126.058 121.300 -0.012 0.000 2.505 684 W HA 0.292 4.952 4.660 -0.000 0.000 0.332 684 W C -2.217 174.379 176.519 0.128 0.000 1.434 684 W CA -2.698 54.672 57.345 0.042 0.000 1.320 684 W CB -0.403 29.050 29.460 -0.011 0.000 1.363 684 W HN 0.139 nan 8.180 nan 0.000 0.565 685 P HA 0.096 nan 4.420 nan 0.000 0.271 685 P C 0.813 178.281 177.300 0.281 0.000 1.216 685 P CA 0.020 63.308 63.100 0.313 0.000 0.771 685 P CB 0.987 32.874 31.700 0.312 0.000 0.864 686 R N 1.944 122.574 120.500 0.216 0.000 2.119 686 R HA -0.189 4.151 4.340 -0.000 0.000 0.246 686 R C 2.073 178.453 176.300 0.133 0.000 1.146 686 R CA 2.556 58.755 56.100 0.164 0.000 0.962 686 R CB -1.035 29.339 30.300 0.122 0.000 0.863 686 R HN 0.685 nan 8.270 nan 0.000 0.442 687 C N -0.791 118.591 119.300 0.137 0.000 2.485 687 C HA 0.060 4.520 4.460 -0.000 0.000 0.283 687 C C 2.094 177.099 174.990 0.024 0.000 1.478 687 C CA -0.564 58.506 59.018 0.087 0.000 1.741 687 C CB -1.460 26.357 27.740 0.128 0.000 1.675 687 C HN 0.419 nan 8.230 nan 0.000 0.573 688 F N 1.034 120.920 119.950 -0.107 0.000 2.446 688 F HA 0.350 4.877 4.527 0.000 0.000 0.292 688 F C 2.173 177.916 175.800 -0.095 0.000 1.096 688 F CA 0.999 58.823 58.000 -0.293 0.000 1.438 688 F CB -0.231 38.552 39.000 -0.363 0.000 1.107 688 F HN 0.075 nan 8.300 nan 0.000 0.546 689 M N -0.261 119.321 119.600 -0.029 0.000 2.388 689 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 689 M C -0.011 176.232 176.300 -0.096 0.000 1.088 689 M CA 0.685 55.971 55.300 -0.024 0.000 1.134 689 M CB -0.035 32.650 32.600 0.141 0.000 1.384 689 M HN -0.020 nan 8.290 nan 0.000 0.447 690 N N 0.050 118.690 118.700 -0.101 0.000 2.776 690 N HA 0.212 4.952 4.740 -0.000 0.000 0.245 690 N C 0.147 175.563 175.510 -0.157 0.000 1.121 690 N CA -0.106 52.873 53.050 -0.119 0.000 0.852 690 N CB 0.203 38.664 38.487 -0.043 0.000 1.142 690 N HN -0.018 nan 8.380 nan 0.000 0.514 691 I N 1.268 121.669 120.570 -0.283 0.000 2.229 691 I HA -0.309 3.861 4.170 -0.000 0.000 0.250 691 I C 2.206 178.252 176.117 -0.119 0.000 1.096 691 I CA 1.159 62.309 61.300 -0.250 0.000 1.358 691 I CB -0.354 37.446 38.000 -0.334 0.000 1.047 691 I HN 0.512 nan 8.210 nan 0.000 0.422 692 Q N 0.263 120.001 119.800 -0.103 0.000 2.325 692 Q HA -0.176 4.164 4.340 -0.000 0.000 0.211 692 Q C 1.978 177.965 176.000 -0.021 0.000 0.988 692 Q CA 1.506 57.278 55.803 -0.053 0.000 0.887 692 Q CB -0.448 28.262 28.738 -0.046 0.000 0.915 692 Q HN 0.567 nan 8.270 nan 0.000 0.440 693 L N -0.691 120.523 121.223 -0.016 0.000 2.478 693 L HA 0.089 4.429 4.340 -0.000 0.000 0.223 693 L C 0.252 177.145 176.870 0.038 0.000 1.140 693 L CA 0.010 54.860 54.840 0.016 0.000 0.842 693 L CB 0.057 42.132 42.059 0.027 0.000 0.953 693 L HN 0.083 nan 8.230 nan 0.000 0.452 694 I N -0.299 120.294 120.570 0.038 0.000 2.312 694 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 694 I C 0.674 176.828 176.117 0.061 0.000 1.031 694 I CA -0.089 61.254 61.300 0.072 0.000 1.293 694 I CB 1.219 39.278 38.000 0.099 0.000 1.403 694 I HN -0.077 nan 8.210 nan 0.000 0.484 695 S N 9.046 124.783 115.700 0.063 0.000 2.488 695 S HA 0.188 4.658 4.470 -0.000 0.000 0.278 695 S C -0.984 173.651 174.600 0.059 0.000 1.259 695 S CA -1.277 56.954 58.200 0.052 0.000 1.061 695 S CB 0.633 63.861 63.200 0.046 0.000 0.910 695 S HN 0.466 nan 8.310 nan 0.000 0.491 696 P HA -0.028 nan 4.420 nan 0.000 0.231 696 P C 0.953 178.286 177.300 0.055 0.000 1.158 696 P CA 0.809 63.942 63.100 0.056 0.000 0.763 696 P CB 0.100 31.826 31.700 0.044 0.000 0.805 697 I N -0.377 120.221 120.570 0.047 0.000 2.810 697 I HA 0.005 4.175 4.170 -0.000 0.000 0.262 697 I C 1.894 178.037 176.117 0.044 0.000 1.131 697 I CA 0.725 62.049 61.300 0.041 0.000 1.453 697 I CB -0.228 37.789 38.000 0.028 0.000 1.161 697 I HN -0.200 nan 8.210 nan 0.000 0.444 698 D N 1.206 121.634 120.400 0.048 0.000 2.249 698 D HA 0.099 4.739 4.640 -0.000 0.000 0.205 698 D C 0.770 177.114 176.300 0.074 0.000 0.962 698 D CA 0.768 54.798 54.000 0.049 0.000 0.860 698 D CB 0.519 41.347 40.800 0.047 0.000 0.955 698 D HN 0.248 nan 8.370 nan 0.000 0.505 699 A N 0.921 123.796 122.820 0.092 0.000 3.422 699 A HA 0.268 4.588 4.320 -0.000 0.000 0.271 699 A C -1.900 175.757 177.584 0.122 0.000 1.104 699 A CA -0.771 51.338 52.037 0.120 0.000 0.899 699 A CB 0.907 19.981 19.000 0.124 0.000 1.309 699 A HN -0.159 nan 8.150 nan 0.000 0.580 700 P HA -0.191 nan 4.420 nan 0.000 0.215 700 P C 1.470 178.824 177.300 0.091 0.000 1.157 700 P CA 1.101 64.262 63.100 0.101 0.000 0.868 700 P CB 0.201 31.964 31.700 0.104 0.000 0.788 701 I N -0.173 120.438 120.570 0.069 0.000 2.133 701 I HA -0.175 3.995 4.170 -0.000 0.000 0.238 701 I C 2.842 179.018 176.117 0.098 0.000 1.074 701 I CA 1.153 62.454 61.300 0.003 0.000 1.342 701 I CB -1.625 36.268 38.000 -0.179 0.000 1.053 701 I HN -0.086 nan 8.210 nan 0.000 0.404 702 L N 0.282 121.577 121.223 0.120 0.000 2.089 702 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 702 L C 2.754 179.839 176.870 0.359 0.000 1.079 702 L CA 1.541 56.533 54.840 0.254 0.000 0.758 702 L CB -0.689 41.489 42.059 0.198 0.000 0.891 702 L HN 0.258 nan 8.230 nan 0.000 0.433 703 R N 0.248 120.887 120.500 0.232 0.000 2.091 703 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 703 R C 2.235 178.645 176.300 0.184 0.000 1.136 703 R CA 1.667 57.875 56.100 0.180 0.000 0.959 703 R CB -0.280 30.088 30.300 0.114 0.000 0.856 703 R HN 0.432 nan 8.270 nan 0.000 0.437 704 Q N -0.949 118.967 119.800 0.194 0.000 2.016 704 Q HA -0.221 4.119 4.340 -0.000 0.000 0.200 704 Q C 2.033 178.233 176.000 0.334 0.000 0.978 704 Q CA 1.624 57.549 55.803 0.204 0.000 0.833 704 Q CB -0.581 28.250 28.738 0.156 0.000 0.895 704 Q HN 0.557 nan 8.270 nan 0.000 0.427 705 W N 1.202 122.590 121.300 0.146 0.000 2.308 705 W HA -0.302 4.358 4.660 -0.000 0.000 0.301 705 W C 2.069 178.781 176.519 0.321 0.000 1.220 705 W CA 1.130 58.610 57.345 0.226 0.000 1.240 705 W CB 0.022 29.625 29.460 0.240 0.000 1.142 705 W HN 0.202 nan 8.180 nan 0.000 0.521 706 A N 0.532 123.551 122.820 0.332 0.000 1.855 706 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 706 A C 1.749 179.342 177.584 0.014 0.000 1.191 706 A CA 1.853 53.913 52.037 0.038 0.000 0.613 706 A CB -1.082 17.881 19.000 -0.060 0.000 0.829 706 A HN 0.434 nan 8.150 nan 0.000 0.442 707 E N -0.295 119.940 120.200 0.058 0.000 2.118 707 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 707 E C 1.903 178.622 176.600 0.198 0.000 0.992 707 E CA 1.239 57.677 56.400 0.063 0.000 0.804 707 E CB -0.321 29.428 29.700 0.082 0.000 0.741 707 E HN 0.693 nan 8.360 nan 0.000 0.458 708 I N 0.931 121.663 120.570 0.271 0.000 2.226 708 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 708 I C 2.365 178.747 176.117 0.442 0.000 1.100 708 I CA 1.003 62.547 61.300 0.408 0.000 1.374 708 I CB -0.263 37.945 38.000 0.347 0.000 1.057 708 I HN 0.132 nan 8.210 nan 0.000 0.413 709 I N 0.065 120.764 120.570 0.215 0.000 2.113 709 I HA -0.321 3.849 4.170 -0.000 0.000 0.238 709 I C 2.606 178.840 176.117 0.194 0.000 1.070 709 I CA 1.642 63.091 61.300 0.248 0.000 1.332 709 I CB -0.668 37.299 38.000 -0.054 0.000 1.044 709 I HN 0.209 nan 8.210 nan 0.000 0.402 710 H N 0.129 119.164 119.070 -0.058 0.000 2.319 710 H HA -0.188 4.368 4.556 -0.000 0.000 0.297 710 H C 2.372 177.673 175.328 -0.046 0.000 1.097 710 H CA 1.828 57.807 56.048 -0.114 0.000 1.285 710 H CB -0.162 29.481 29.762 -0.198 0.000 1.368 710 H HN 0.122 nan 8.280 nan 0.000 0.495 711 R N -0.888 119.674 120.500 0.103 0.000 2.153 711 R HA -0.070 4.270 4.340 -0.000 0.000 0.218 711 R C 0.572 176.644 176.300 -0.381 0.000 1.072 711 R CA 1.142 57.135 56.100 -0.179 0.000 0.990 711 R CB 0.262 30.396 30.300 -0.277 0.000 0.889 711 R HN 0.381 nan 8.270 nan 0.000 0.452 712 Y N -2.354 118.094 120.300 0.246 0.000 2.527 712 Y HA 0.136 4.686 4.550 -0.000 0.000 0.247 712 Y C 0.061 176.137 175.900 0.293 0.000 1.138 712 Y CA -1.071 57.200 58.100 0.285 0.000 1.228 712 Y CB 0.184 38.847 38.460 0.337 0.000 1.252 712 Y HN 0.086 nan 8.280 nan 0.000 0.531 713 W N 5.155 126.523 121.300 0.113 0.000 2.223 713 W HA 0.163 4.823 4.660 -0.000 0.000 0.334 713 W C -2.426 173.970 176.519 -0.206 0.000 1.334 713 W CA -1.742 55.450 57.345 -0.255 0.000 1.246 713 W CB 0.763 30.050 29.460 -0.288 0.000 1.184 713 W HN 0.000 nan 8.180 nan 0.000 0.563 714 P HA -0.140 nan 4.420 nan 0.000 0.269 714 P C -0.630 176.645 177.300 -0.043 0.000 1.200 714 P CA 0.893 63.831 63.100 -0.270 0.000 0.779 714 P CB 0.435 31.843 31.700 -0.488 0.000 0.841 715 N N 1.896 120.557 118.700 -0.066 0.000 2.407 715 N HA 0.272 5.012 4.740 -0.000 0.000 0.277 715 N C -2.451 173.010 175.510 -0.082 0.000 0.995 715 N CA -1.569 51.461 53.050 -0.034 0.000 0.903 715 N CB 1.504 39.979 38.487 -0.019 0.000 1.218 715 N HN 0.293 nan 8.380 nan 0.000 0.487 716 P HA 0.034 nan 4.420 nan 0.000 0.272 716 P C -0.317 176.929 177.300 -0.089 0.000 1.248 716 P CA 0.077 63.089 63.100 -0.146 0.000 0.799 716 P CB 0.828 32.477 31.700 -0.084 0.000 0.997 717 S N -1.445 114.190 115.700 -0.107 0.000 2.683 717 S HA 0.478 4.948 4.470 -0.000 0.000 0.269 717 S C -1.357 173.187 174.600 -0.094 0.000 1.165 717 S CA -0.808 57.363 58.200 -0.049 0.000 0.840 717 S CB 1.457 64.680 63.200 0.039 0.000 1.169 717 S HN 0.636 nan 8.310 nan 0.000 0.490 718 Q N 0.187 119.931 119.800 -0.093 0.000 2.495 718 Q HA 0.846 5.186 4.340 -0.000 0.000 0.287 718 Q C -1.324 174.536 176.000 -0.234 0.000 1.078 718 Q CA -1.073 54.653 55.803 -0.127 0.000 0.793 718 Q CB 2.364 31.074 28.738 -0.046 0.000 1.459 718 Q HN 0.855 nan 8.270 nan 0.000 0.422 719 I N -0.253 120.213 120.570 -0.174 0.000 2.827 719 I HA 0.442 4.612 4.170 -0.000 0.000 0.298 719 I C -1.228 174.892 176.117 0.004 0.000 1.235 719 I CA -0.967 60.235 61.300 -0.163 0.000 1.021 719 I CB 2.448 40.287 38.000 -0.269 0.000 1.259 719 I HN 0.625 nan 8.210 nan 0.000 0.427 720 R N 4.957 125.474 120.500 0.029 0.000 2.539 720 R HA 0.414 4.754 4.340 -0.000 0.000 0.275 720 R C -1.589 174.791 176.300 0.133 0.000 1.077 720 R CA -0.158 55.973 56.100 0.051 0.000 1.097 720 R CB 1.169 31.476 30.300 0.013 0.000 1.018 720 R HN 0.563 nan 8.270 nan 0.000 0.483 721 Y N -1.563 118.736 120.300 -0.001 0.000 2.592 721 Y HA 0.494 5.044 4.550 -0.000 0.000 0.334 721 Y C -0.153 175.767 175.900 0.033 0.000 1.136 721 Y CA -0.237 57.874 58.100 0.018 0.000 1.042 721 Y CB 0.875 39.339 38.460 0.007 0.000 1.325 721 Y HN 0.901 nan 8.280 nan 0.000 0.457 722 G N 0.899 109.762 108.800 0.104 0.000 2.698 722 G HA2 0.346 4.306 3.960 -0.000 0.000 0.233 722 G HA3 0.346 4.306 3.960 -0.000 0.000 0.233 722 G C -0.596 174.266 174.900 -0.064 0.000 1.352 722 G CA -0.030 45.081 45.100 0.020 0.000 0.879 722 G HN 2.057 nan 8.290 nan 0.000 0.567 723 A N 0.360 123.135 122.820 -0.076 0.000 3.082 723 A HA 0.783 5.103 4.320 -0.000 0.000 0.328 723 A C -0.681 176.810 177.584 -0.155 0.000 1.089 723 A CA 0.094 52.034 52.037 -0.162 0.000 0.802 723 A CB 1.257 20.069 19.000 -0.314 0.000 1.138 723 A HN 0.717 nan 8.150 nan 0.000 0.474 724 P HA -0.180 nan 4.420 nan 0.000 0.224 724 P C 0.460 177.729 177.300 -0.053 0.000 1.142 724 P CA 1.073 64.120 63.100 -0.087 0.000 0.778 724 P CB 0.248 31.879 31.700 -0.115 0.000 0.764 725 N N -0.771 117.890 118.700 -0.065 0.000 2.415 725 N HA 0.009 4.749 4.740 -0.000 0.000 0.176 725 N C 1.561 177.063 175.510 -0.014 0.000 1.042 725 N CA 0.597 53.631 53.050 -0.027 0.000 0.902 725 N CB 0.396 38.875 38.487 -0.012 0.000 0.986 725 N HN 0.168 nan 8.380 nan 0.000 0.447 726 V N -0.445 119.418 119.914 -0.084 0.000 3.090 726 V HA 0.125 4.245 4.120 -0.000 0.000 0.237 726 V C 1.020 177.173 176.094 0.098 0.000 1.209 726 V CA 0.491 62.746 62.300 -0.075 0.000 1.209 726 V CB -0.041 31.612 31.823 -0.284 0.000 0.971 726 V HN -0.017 nan 8.190 nan 0.000 0.477 727 F N 1.287 121.206 119.950 -0.052 0.000 2.754 727 F HA 0.589 5.116 4.527 0.000 0.000 0.297 727 F C 1.637 177.401 175.800 -0.060 0.000 1.122 727 F CA 0.111 58.059 58.000 -0.087 0.000 1.400 727 F CB -0.824 38.096 39.000 -0.133 0.000 1.117 727 F HN 0.268 nan 8.300 nan 0.000 0.587 728 G N 0.529 109.400 108.800 0.118 0.000 2.645 728 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.239 728 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.239 728 G C -0.332 174.589 174.900 0.036 0.000 1.331 728 G CA -0.143 44.989 45.100 0.053 0.000 0.890 728 G HN 0.680 nan 8.290 nan 0.000 0.572 729 S N -1.717 113.995 115.700 0.019 0.000 2.563 729 S HA 0.726 5.196 4.470 -0.000 0.000 0.279 729 S C 0.409 175.030 174.600 0.035 0.000 1.155 729 S CA 0.681 58.891 58.200 0.017 0.000 0.928 729 S CB 1.138 64.314 63.200 -0.039 0.000 1.107 729 S HN 2.368 nan 8.310 nan 0.000 0.462 730 A N 3.860 126.716 122.820 0.061 0.000 2.327 730 A HA 0.332 4.652 4.320 -0.000 0.000 0.228 730 A C 0.473 178.094 177.584 0.062 0.000 1.275 730 A CA -0.172 51.896 52.037 0.053 0.000 0.875 730 A CB -0.816 18.220 19.000 0.060 0.000 0.925 730 A HN 0.735 nan 8.150 nan 0.000 0.493 731 N N -0.202 118.543 118.700 0.074 0.000 2.454 731 N HA 0.318 5.058 4.740 -0.000 0.000 0.254 731 N C 0.807 176.336 175.510 0.032 0.000 1.228 731 N CA 0.228 53.325 53.050 0.078 0.000 0.900 731 N CB 0.748 39.286 38.487 0.085 0.000 1.089 731 N HN 0.284 nan 8.380 nan 0.000 0.449 732 L N 0.204 121.433 121.223 0.009 0.000 2.519 732 L HA 0.261 4.601 4.340 -0.000 0.000 0.194 732 L C 0.944 177.731 176.870 -0.139 0.000 1.072 732 L CA 0.333 55.094 54.840 -0.131 0.000 0.845 732 L CB -0.015 41.875 42.059 -0.281 0.000 1.138 732 L HN 0.510 nan 8.230 nan 0.000 0.487 733 F N 0.323 120.337 119.950 0.107 0.000 2.776 733 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 733 F C 1.112 176.897 175.800 -0.024 0.000 1.116 733 F CA -0.202 57.829 58.000 0.051 0.000 1.375 733 F CB 0.418 39.431 39.000 0.022 0.000 1.109 733 F HN 0.089 nan 8.300 nan 0.000 0.585 734 T N -2.693 111.937 114.554 0.126 0.000 2.924 734 T HA 0.484 4.834 4.350 -0.000 0.000 0.291 734 T C -2.805 171.923 174.700 0.046 0.000 1.045 734 T CA -2.697 59.438 62.100 0.059 0.000 1.015 734 T CB 1.827 70.718 68.868 0.037 0.000 1.103 734 T HN -0.367 nan 8.240 nan 0.000 0.496 735 P HA 0.136 nan 4.420 nan 0.000 0.267 735 P C -1.517 175.788 177.300 0.009 0.000 1.200 735 P CA -1.269 61.839 63.100 0.014 0.000 0.772 735 P CB 0.170 31.871 31.700 0.003 0.000 0.855 736 P HA -0.240 nan 4.420 nan 0.000 0.216 736 P C 0.814 178.039 177.300 -0.124 0.000 1.154 736 P CA 1.883 64.957 63.100 -0.043 0.000 0.865 736 P CB -0.006 31.667 31.700 -0.044 0.000 0.789 737 E N -0.127 120.000 120.200 -0.122 0.000 2.474 737 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 737 E C 0.318 176.850 176.600 -0.112 0.000 1.039 737 E CA -0.056 56.219 56.400 -0.207 0.000 0.881 737 E CB -0.334 29.283 29.700 -0.138 0.000 0.970 737 E HN 0.093 nan 8.360 nan 0.000 0.486 738 V N 1.657 121.578 119.914 0.012 0.000 2.617 738 V HA 0.368 4.488 4.120 -0.000 0.000 0.298 738 V C -0.391 175.854 176.094 0.252 0.000 1.048 738 V CA -0.966 61.398 62.300 0.106 0.000 0.964 738 V CB 1.563 33.414 31.823 0.047 0.000 1.004 738 V HN 0.195 nan 8.190 nan 0.000 0.466 739 L N 4.703 126.036 121.223 0.184 0.000 2.404 739 L HA 0.565 4.905 4.340 -0.000 0.000 0.272 739 L C -0.645 176.219 176.870 -0.012 0.000 0.980 739 L CA 0.055 54.933 54.840 0.064 0.000 0.836 739 L CB 1.363 43.406 42.059 -0.028 0.000 1.238 739 L HN 0.532 nan 8.230 nan 0.000 0.408 740 L N 5.371 126.591 121.223 -0.005 0.000 2.417 740 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 740 L C -0.597 176.249 176.870 -0.039 0.000 1.158 740 L CA -0.212 54.637 54.840 0.014 0.000 0.819 740 L CB 0.893 43.012 42.059 0.100 0.000 1.112 740 L HN 0.529 nan 8.230 nan 0.000 0.458 741 L N 3.931 125.040 121.223 -0.191 0.000 2.401 741 L HA 0.410 4.750 4.340 -0.000 0.000 0.266 741 L C -1.966 174.434 176.870 -0.783 0.000 0.991 741 L CA -1.302 53.245 54.840 -0.489 0.000 0.818 741 L CB 2.860 44.706 42.059 -0.354 0.000 1.321 741 L HN 0.386 nan 8.230 nan 0.000 0.413 742 P HA 0.145 nan 4.420 nan 0.000 0.257 742 P C -0.227 176.628 177.300 -0.741 0.000 1.325 742 P CA 0.412 62.790 63.100 -1.203 0.000 0.850 742 P CB 0.678 31.414 31.700 -1.606 0.000 1.324 743 I N -0.196 119.993 120.570 -0.635 0.000 3.042 743 I HA 0.356 4.526 4.170 -0.000 0.000 0.310 743 I C -0.081 175.920 176.117 -0.193 0.000 1.117 743 I CA -1.418 59.660 61.300 -0.370 0.000 1.003 743 I CB 1.856 39.671 38.000 -0.309 0.000 1.228 743 I HN -0.199 nan 8.210 nan 0.000 0.443 744 D N 2.405 122.746 120.400 -0.099 0.000 2.256 744 D HA 0.267 4.907 4.640 -0.000 0.000 0.250 744 D C -0.392 175.943 176.300 0.057 0.000 1.093 744 D CA 0.243 54.238 54.000 -0.008 0.000 0.882 744 D CB 0.636 41.425 40.800 -0.019 0.000 1.185 744 D HN 0.464 nan 8.370 nan 0.000 0.437 745 H N 1.909 120.945 119.070 -0.057 0.000 2.573 745 H HA 0.579 5.135 4.556 0.000 0.000 0.351 745 H C -0.943 174.376 175.328 -0.016 0.000 1.163 745 H CA -0.746 55.282 56.048 -0.035 0.000 1.205 745 H CB 1.229 30.971 29.762 -0.033 0.000 1.605 745 H HN 0.319 nan 8.280 nan 0.000 0.525 746 Q N 1.181 120.859 119.800 -0.204 0.000 2.587 746 Q HA 0.416 4.756 4.340 -0.000 0.000 0.293 746 Q C -2.612 173.307 176.000 -0.135 0.000 1.083 746 Q CA -1.956 53.708 55.803 -0.233 0.000 0.792 746 Q CB 2.028 30.709 28.738 -0.095 0.000 1.484 746 Q HN 0.550 nan 8.270 nan 0.000 0.446 747 P HA 0.180 nan 4.420 nan 0.000 0.271 747 P C -1.134 176.176 177.300 0.015 0.000 1.216 747 P CA -0.052 63.030 63.100 -0.029 0.000 0.776 747 P CB 0.476 32.158 31.700 -0.030 0.000 0.881 748 A N 2.923 125.771 122.820 0.047 0.000 2.477 748 A HA 0.370 4.690 4.320 -0.000 0.000 0.246 748 A C 0.301 177.929 177.584 0.072 0.000 1.078 748 A CA 0.361 52.445 52.037 0.078 0.000 0.770 748 A CB -0.676 18.390 19.000 0.110 0.000 1.011 748 A HN 0.643 nan 8.150 nan 0.000 0.494 749 N N 1.329 120.082 118.700 0.089 0.000 3.261 749 N HA 0.067 4.807 4.740 -0.000 0.000 0.227 749 N C -0.016 175.559 175.510 0.107 0.000 1.338 749 N CA 0.149 53.246 53.050 0.079 0.000 0.833 749 N CB 0.734 39.252 38.487 0.053 0.000 1.606 749 N HN 0.771 nan 8.380 nan 0.000 0.649 750 V N 1.094 121.080 119.914 0.121 0.000 2.828 750 V HA -0.110 4.010 4.120 -0.000 0.000 0.260 750 V C 1.867 178.036 176.094 0.126 0.000 1.101 750 V CA 2.365 64.770 62.300 0.174 0.000 1.123 750 V CB -1.237 30.668 31.823 0.136 0.000 0.704 750 V HN 0.781 nan 8.190 nan 0.000 0.493 751 T N -1.862 112.739 114.554 0.079 0.000 3.072 751 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 751 T C 0.935 175.661 174.700 0.043 0.000 1.127 751 T CA 0.908 63.039 62.100 0.053 0.000 1.107 751 T CB -1.198 67.692 68.868 0.036 0.000 0.910 751 T HN 0.584 nan 8.240 nan 0.000 0.513 752 T N 4.524 119.110 114.554 0.054 0.000 2.903 752 T HA 0.151 4.501 4.350 -0.000 0.000 0.299 752 T C -2.313 172.401 174.700 0.023 0.000 1.041 752 T CA -0.420 61.705 62.100 0.041 0.000 1.138 752 T CB 0.350 69.251 68.868 0.054 0.000 1.040 752 T HN 0.336 nan 8.240 nan 0.000 0.524 753 P HA 0.159 nan 4.420 nan 0.000 0.271 753 P C 1.140 178.446 177.300 0.011 0.000 1.218 753 P CA -0.389 62.715 63.100 0.007 0.000 0.780 753 P CB 0.471 32.173 31.700 0.004 0.000 0.901 754 T N -0.362 114.192 114.554 0.001 0.000 2.857 754 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 754 T C 0.880 175.616 174.700 0.060 0.000 1.048 754 T CA 0.872 62.975 62.100 0.005 0.000 1.139 754 T CB -0.523 68.335 68.868 -0.016 0.000 0.874 754 T HN 0.210 nan 8.240 nan 0.000 0.455 755 L N 2.436 123.701 121.223 0.069 0.000 2.657 755 L HA 0.432 4.772 4.340 -0.000 0.000 0.239 755 L C -0.430 176.520 176.870 0.134 0.000 1.215 755 L CA -0.534 54.400 54.840 0.156 0.000 1.161 755 L CB 0.088 42.182 42.059 0.058 0.000 1.436 755 L HN 0.087 nan 8.230 nan 0.000 0.414 756 D N 0.499 121.029 120.400 0.216 0.000 2.485 756 D HA 0.151 4.791 4.640 -0.000 0.000 0.229 756 D C 0.676 177.197 176.300 0.368 0.000 1.101 756 D CA -0.493 53.621 54.000 0.189 0.000 0.906 756 D CB 0.526 41.391 40.800 0.107 0.000 1.019 756 D HN 0.049 nan 8.370 nan 0.000 0.516 757 F N 1.788 121.754 119.950 0.026 0.000 2.788 757 F HA 0.023 4.550 4.527 0.000 0.000 0.300 757 F C 2.094 177.928 175.800 0.057 0.000 1.229 757 F CA 0.373 58.397 58.000 0.040 0.000 1.446 757 F CB -0.908 38.113 39.000 0.035 0.000 1.118 757 F HN 0.323 nan 8.300 nan 0.000 0.579 758 T N -1.428 113.260 114.554 0.224 0.000 3.009 758 T HA -0.076 4.274 4.350 -0.000 0.000 0.258 758 T C 1.042 175.808 174.700 0.109 0.000 1.063 758 T CA 0.086 62.270 62.100 0.140 0.000 1.139 758 T CB -0.193 68.732 68.868 0.095 0.000 0.890 758 T HN 0.107 nan 8.240 nan 0.000 0.471 759 N N 2.419 121.183 118.700 0.107 0.000 2.438 759 N HA -0.035 4.705 4.740 -0.000 0.000 0.267 759 N C 0.929 176.477 175.510 0.062 0.000 1.222 759 N CA 0.308 53.400 53.050 0.071 0.000 0.930 759 N CB 0.803 39.332 38.487 0.069 0.000 1.083 759 N HN 0.362 nan 8.380 nan 0.000 0.476 760 E N 3.392 123.618 120.200 0.043 0.000 2.086 760 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 760 E C 1.552 178.172 176.600 0.033 0.000 1.012 760 E CA 1.331 57.756 56.400 0.041 0.000 0.812 760 E CB 0.056 29.747 29.700 -0.015 0.000 0.743 760 E HN 0.662 nan 8.360 nan 0.000 0.453 761 L N 0.523 121.744 121.223 -0.003 0.000 2.017 761 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 761 L C 2.698 179.590 176.870 0.037 0.000 1.073 761 L CA 1.271 56.111 54.840 0.000 0.000 0.745 761 L CB -0.594 41.459 42.059 -0.010 0.000 0.894 761 L HN 0.159 nan 8.230 nan 0.000 0.432 762 T N -0.738 113.823 114.554 0.011 0.000 2.720 762 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 762 T C 1.650 176.243 174.700 -0.178 0.000 1.037 762 T CA 1.952 64.027 62.100 -0.041 0.000 1.144 762 T CB -0.364 68.513 68.868 0.015 0.000 0.864 762 T HN 0.379 nan 8.240 nan 0.000 0.444 763 N N -0.267 118.344 118.700 -0.148 0.000 2.084 763 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 763 N C 1.872 177.285 175.510 -0.161 0.000 1.030 763 N CA 1.302 54.196 53.050 -0.259 0.000 0.849 763 N CB -0.150 38.319 38.487 -0.031 0.000 1.012 763 N HN 0.522 nan 8.380 nan 0.000 0.423 764 W N 2.165 123.357 121.300 -0.180 0.000 2.318 764 W HA -0.226 4.434 4.660 -0.000 0.000 0.313 764 W C 2.193 178.616 176.519 -0.161 0.000 1.221 764 W CA 1.192 58.450 57.345 -0.145 0.000 1.266 764 W CB -0.411 28.955 29.460 -0.156 0.000 1.150 764 W HN 0.141 nan 8.180 nan 0.000 0.496 765 R N 0.823 121.284 120.500 -0.064 0.000 2.096 765 R HA -0.218 4.122 4.340 -0.000 0.000 0.240 765 R C 2.260 178.439 176.300 -0.201 0.000 1.139 765 R CA 2.207 58.225 56.100 -0.137 0.000 0.952 765 R CB -0.996 29.264 30.300 -0.067 0.000 0.854 765 R HN 0.254 nan 8.270 nan 0.000 0.436 766 A N 1.338 123.983 122.820 -0.292 0.000 1.828 766 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 766 A C 2.168 179.587 177.584 -0.275 0.000 1.203 766 A CA 1.267 53.115 52.037 -0.315 0.000 0.614 766 A CB -0.549 18.084 19.000 -0.610 0.000 0.844 766 A HN 0.236 nan 8.150 nan 0.000 0.445 767 R N -0.368 119.919 120.500 -0.356 0.000 2.140 767 R HA -0.156 4.184 4.340 -0.000 0.000 0.250 767 R C 2.067 178.183 176.300 -0.307 0.000 1.150 767 R CA 1.565 57.454 56.100 -0.352 0.000 0.966 767 R CB -1.601 28.416 30.300 -0.472 0.000 0.869 767 R HN 0.427 nan 8.270 nan 0.000 0.445 768 V N 0.085 119.735 119.914 -0.439 0.000 2.515 768 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 768 V C 2.562 178.558 176.094 -0.163 0.000 1.058 768 V CA 1.496 63.558 62.300 -0.397 0.000 1.064 768 V CB -0.452 31.011 31.823 -0.600 0.000 0.675 768 V HN 0.323 nan 8.190 nan 0.000 0.461 769 C N -0.492 118.759 119.300 -0.082 0.000 2.473 769 C HA -0.083 4.377 4.460 -0.000 0.000 0.279 769 C C 2.732 177.699 174.990 -0.039 0.000 1.250 769 C CA 0.459 59.483 59.018 0.010 0.000 1.713 769 C CB -0.862 26.894 27.740 0.027 0.000 2.066 769 C HN 0.535 nan 8.230 nan 0.000 0.474 770 E N 0.682 120.844 120.200 -0.064 0.000 2.219 770 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 770 E C 1.884 178.447 176.600 -0.062 0.000 0.998 770 E CA 0.889 57.258 56.400 -0.053 0.000 0.818 770 E CB -0.540 29.129 29.700 -0.052 0.000 0.741 770 E HN 0.581 nan 8.360 nan 0.000 0.477 771 L N 0.602 121.776 121.223 -0.081 0.000 1.976 771 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 771 L C 2.297 179.096 176.870 -0.118 0.000 1.071 771 L CA 1.721 56.510 54.840 -0.085 0.000 0.746 771 L CB -0.629 41.372 42.059 -0.098 0.000 0.890 771 L HN 0.038 nan 8.230 nan 0.000 0.432 772 M N -0.472 119.063 119.600 -0.108 0.000 2.088 772 M HA -0.320 4.160 4.480 -0.000 0.000 0.256 772 M C 2.251 178.474 176.300 -0.129 0.000 1.071 772 M CA 2.183 57.409 55.300 -0.123 0.000 1.097 772 M CB -1.057 31.507 32.600 -0.061 0.000 1.315 772 M HN 0.284 nan 8.290 nan 0.000 0.406 773 K N 0.521 120.871 120.400 -0.084 0.000 2.015 773 K HA -0.200 4.120 4.320 -0.000 0.000 0.216 773 K C 1.708 178.263 176.600 -0.075 0.000 1.052 773 K CA 2.080 58.329 56.287 -0.064 0.000 0.937 773 K CB -0.548 31.930 32.500 -0.036 0.000 0.719 773 K HN 0.478 nan 8.250 nan 0.000 0.446 774 N N 0.942 119.596 118.700 -0.077 0.000 2.091 774 N HA -0.213 4.527 4.740 -0.000 0.000 0.193 774 N C 1.949 177.379 175.510 -0.133 0.000 1.021 774 N CA 0.964 53.968 53.050 -0.077 0.000 0.862 774 N CB -0.151 38.297 38.487 -0.066 0.000 1.018 774 N HN 0.152 nan 8.380 nan 0.000 0.429 775 L N 0.680 121.774 121.223 -0.215 0.000 2.017 775 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 775 L C 2.201 178.898 176.870 -0.289 0.000 1.073 775 L CA 1.234 55.848 54.840 -0.376 0.000 0.745 775 L CB -0.254 41.539 42.059 -0.443 0.000 0.894 775 L HN 0.058 nan 8.230 nan 0.000 0.432 776 V N -0.703 119.100 119.914 -0.185 0.000 3.129 776 V HA -0.177 3.943 4.120 -0.000 0.000 0.259 776 V C 1.991 178.076 176.094 -0.014 0.000 1.116 776 V CA 1.465 63.706 62.300 -0.099 0.000 1.127 776 V CB -0.499 31.287 31.823 -0.061 0.000 0.742 776 V HN 0.517 nan 8.190 nan 0.000 0.474 777 D N 1.889 122.277 120.400 -0.020 0.000 2.127 777 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 777 D C 1.649 177.973 176.300 0.039 0.000 1.000 777 D CA 2.267 56.275 54.000 0.012 0.000 0.839 777 D CB -0.155 40.646 40.800 0.003 0.000 0.955 777 D HN 0.803 nan 8.370 nan 0.000 0.446 778 N N 0.412 119.144 118.700 0.053 0.000 2.463 778 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 778 N C 0.561 176.117 175.510 0.077 0.000 1.078 778 N CA 0.336 53.427 53.050 0.068 0.000 0.902 778 N CB -0.280 38.256 38.487 0.082 0.000 0.970 778 N HN 0.192 nan 8.380 nan 0.000 0.451 779 Q N -0.865 118.984 119.800 0.082 0.000 2.494 779 Q HA -0.278 4.062 4.340 -0.000 0.000 0.272 779 Q C 0.774 176.808 176.000 0.057 0.000 1.145 779 Q CA 0.528 56.368 55.803 0.062 0.000 0.943 779 Q CB -0.817 27.979 28.738 0.096 0.000 1.338 779 Q HN 0.689 nan 8.270 nan 0.000 0.492 780 R N -0.607 119.968 120.500 0.125 0.000 2.200 780 R HA -0.050 4.290 4.340 -0.000 0.000 0.208 780 R C 0.507 176.803 176.300 -0.008 0.000 1.033 780 R CA 1.095 57.217 56.100 0.036 0.000 1.000 780 R CB 0.206 30.511 30.300 0.008 0.000 0.906 780 R HN 0.374 nan 8.270 nan 0.000 0.462 781 Y N 1.058 121.335 120.300 -0.039 0.000 2.524 781 Y HA 0.213 4.763 4.550 -0.000 0.000 0.266 781 Y C -0.086 175.549 175.900 -0.441 0.000 1.180 781 Y CA -0.311 57.680 58.100 -0.182 0.000 1.244 781 Y CB 0.687 38.925 38.460 -0.370 0.000 1.125 781 Y HN 0.075 nan 8.280 nan 0.000 0.524 782 Q N -0.992 118.659 119.800 -0.249 0.000 3.761 782 Q HA 0.379 4.719 4.340 -0.000 0.000 0.206 782 Q C -3.326 172.484 176.000 -0.318 0.000 0.900 782 Q CA -1.664 53.795 55.803 -0.573 0.000 0.737 782 Q CB 1.459 29.336 28.738 -1.435 0.000 1.454 782 Q HN 0.123 nan 8.270 nan 0.000 0.448 783 P HA 0.184 nan 4.420 nan 0.000 0.302 783 P C 0.881 178.191 177.300 0.017 0.000 1.301 783 P CA 0.662 63.758 63.100 -0.007 0.000 0.745 783 P CB 0.267 31.976 31.700 0.016 0.000 1.331 784 G N -2.791 106.053 108.800 0.073 0.000 2.244 784 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.274 784 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.274 784 G C -0.708 174.350 174.900 0.265 0.000 1.002 784 G CA -0.023 45.149 45.100 0.119 0.000 0.740 784 G HN 0.307 nan 8.290 nan 0.000 0.516 785 W N 0.941 122.242 121.300 0.002 0.000 2.299 785 W HA 0.606 5.266 4.660 -0.000 0.000 0.319 785 W C 1.412 177.929 176.519 -0.003 0.000 1.008 785 W CA -0.460 56.881 57.345 -0.006 0.000 1.384 785 W CB 0.370 29.822 29.460 -0.014 0.000 1.220 785 W HN 0.060 nan 8.180 nan 0.000 0.402 786 T N 1.050 115.694 114.554 0.151 0.000 2.684 786 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 786 T C 0.706 175.435 174.700 0.048 0.000 1.036 786 T CA 1.393 63.539 62.100 0.076 0.000 1.148 786 T CB 0.022 68.910 68.868 0.034 0.000 0.863 786 T HN 0.097 nan 8.240 nan 0.000 0.436 787 Q N 0.532 120.334 119.800 0.003 0.000 2.257 787 Q HA 0.523 4.863 4.340 -0.000 0.000 0.262 787 Q C -0.432 175.565 176.000 -0.005 0.000 0.997 787 Q CA -0.316 55.479 55.803 -0.013 0.000 0.873 787 Q CB 1.717 30.424 28.738 -0.052 0.000 1.312 787 Q HN 0.159 nan 8.270 nan 0.000 0.450 788 S N 1.653 117.360 115.700 0.012 0.000 2.466 788 S HA 0.109 4.579 4.470 -0.000 0.000 0.286 788 S C 0.141 174.731 174.600 -0.017 0.000 1.221 788 S CA -0.217 58.005 58.200 0.036 0.000 1.091 788 S CB -0.103 63.119 63.200 0.036 0.000 0.956 788 S HN 0.473 nan 8.310 nan 0.000 0.501 789 L N 6.771 127.978 121.223 -0.027 0.000 2.607 789 L HA 0.229 4.569 4.340 -0.000 0.000 0.228 789 L C 1.851 178.712 176.870 -0.016 0.000 1.123 789 L CA 0.562 55.330 54.840 -0.120 0.000 0.890 789 L CB -0.316 41.489 42.059 -0.423 0.000 1.103 789 L HN 0.565 nan 8.230 nan 0.000 0.468 790 V N -0.320 119.624 119.914 0.051 0.000 2.219 790 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 790 V C 2.511 178.617 176.094 0.019 0.000 1.053 790 V CA 2.185 64.517 62.300 0.053 0.000 1.009 790 V CB -1.168 30.687 31.823 0.053 0.000 0.636 790 V HN 0.689 nan 8.190 nan 0.000 0.445 791 S N 1.529 117.234 115.700 0.008 0.000 2.401 791 S HA -0.331 4.139 4.470 -0.000 0.000 0.236 791 S C 1.989 176.586 174.600 -0.006 0.000 1.058 791 S CA 2.380 60.579 58.200 -0.001 0.000 1.151 791 S CB -1.205 61.991 63.200 -0.007 0.000 1.049 791 S HN 0.670 nan 8.310 nan 0.000 0.432 792 S N 2.423 118.112 115.700 -0.018 0.000 2.345 792 S HA -0.044 4.426 4.470 -0.000 0.000 0.220 792 S C 1.910 176.512 174.600 0.003 0.000 1.031 792 S CA 1.403 59.593 58.200 -0.018 0.000 0.996 792 S CB -0.702 62.473 63.200 -0.042 0.000 0.882 792 S HN 0.421 nan 8.310 nan 0.000 0.445 793 M N 2.211 121.809 119.600 -0.003 0.000 2.144 793 M HA -0.100 4.380 4.480 -0.000 0.000 0.260 793 M C 2.000 178.318 176.300 0.030 0.000 1.067 793 M CA 1.411 56.724 55.300 0.021 0.000 1.095 793 M CB -0.447 32.158 32.600 0.009 0.000 1.365 793 M HN 0.155 nan 8.290 nan 0.000 0.406 794 R N -0.899 119.611 120.500 0.016 0.000 2.064 794 R HA -0.036 4.304 4.340 -0.000 0.000 0.228 794 R C 2.314 178.622 176.300 0.013 0.000 1.144 794 R CA 1.490 57.596 56.100 0.011 0.000 0.932 794 R CB -1.439 28.865 30.300 0.007 0.000 0.833 794 R HN 0.572 nan 8.270 nan 0.000 0.429 795 G N 0.500 109.305 108.800 0.008 0.000 2.513 795 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 795 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 795 G C 1.392 176.294 174.900 0.003 0.000 1.160 795 G CA 1.686 46.788 45.100 0.002 0.000 0.767 795 G HN 0.301 nan 8.290 nan 0.000 0.571 796 T N 1.173 115.738 114.554 0.019 0.000 2.699 796 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 796 T C 2.392 177.096 174.700 0.007 0.000 1.036 796 T CA 1.158 63.270 62.100 0.021 0.000 1.147 796 T CB -0.186 68.748 68.868 0.110 0.000 0.862 796 T HN 0.186 nan 8.240 nan 0.000 0.446 797 L N 0.573 121.821 121.223 0.041 0.000 2.072 797 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 797 L C 2.570 179.433 176.870 -0.013 0.000 1.079 797 L CA 1.067 55.908 54.840 0.002 0.000 0.752 797 L CB -0.543 41.522 42.059 0.010 0.000 0.906 797 L HN 0.138 nan 8.230 nan 0.000 0.436 798 D N 0.540 120.940 120.400 0.000 0.000 2.133 798 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 798 D C 2.159 178.460 176.300 0.001 0.000 0.997 798 D CA 1.291 55.295 54.000 0.007 0.000 0.840 798 D CB -0.040 40.765 40.800 0.008 0.000 0.947 798 D HN 0.271 nan 8.370 nan 0.000 0.452 799 K N 0.115 120.504 120.400 -0.017 0.000 2.063 799 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 799 K C 2.348 178.930 176.600 -0.030 0.000 1.048 799 K CA 0.627 56.897 56.287 -0.028 0.000 0.928 799 K CB -0.116 32.356 32.500 -0.047 0.000 0.713 799 K HN 0.174 nan 8.250 nan 0.000 0.442 800 L N 1.081 122.274 121.223 -0.049 0.000 2.056 800 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 800 L C 2.647 179.537 176.870 0.033 0.000 1.078 800 L CA 1.164 55.986 54.840 -0.029 0.000 0.749 800 L CB -0.433 41.562 42.059 -0.105 0.000 0.901 800 L HN 0.204 nan 8.230 nan 0.000 0.433 801 K N 1.112 121.531 120.400 0.032 0.000 2.032 801 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 801 K C 1.759 178.396 176.600 0.060 0.000 1.048 801 K CA 1.563 57.874 56.287 0.041 0.000 0.927 801 K CB -0.105 32.417 32.500 0.037 0.000 0.712 801 K HN 0.284 nan 8.250 nan 0.000 0.441 802 L N 1.430 122.690 121.223 0.062 0.000 2.611 802 L HA 0.242 4.582 4.340 -0.000 0.000 0.229 802 L C 1.027 177.921 176.870 0.041 0.000 1.137 802 L CA -0.546 54.340 54.840 0.076 0.000 0.901 802 L CB -0.000 42.096 42.059 0.062 0.000 1.098 802 L HN 0.271 nan 8.230 nan 0.000 0.456 803 I N 1.026 121.609 120.570 0.021 0.000 2.815 803 I HA -0.112 4.058 4.170 -0.000 0.000 0.291 803 I C 0.550 176.665 176.117 -0.004 0.000 1.209 803 I CA 0.046 61.344 61.300 -0.003 0.000 1.431 803 I CB 0.648 38.639 38.000 -0.015 0.000 1.351 803 I HN 0.035 nan 8.210 nan 0.000 0.585 804 K N 5.530 125.917 120.400 -0.022 0.000 3.006 804 K HA 0.162 4.482 4.320 -0.000 0.000 0.262 804 K C -0.206 176.355 176.600 -0.064 0.000 1.289 804 K CA -0.012 56.255 56.287 -0.033 0.000 1.245 804 K CB -0.063 32.414 32.500 -0.037 0.000 1.614 804 K HN 0.465 nan 8.250 nan 0.000 0.322 805 S N 0.287 115.949 115.700 -0.063 0.000 2.565 805 S HA 0.245 4.715 4.470 -0.000 0.000 0.274 805 S C 0.838 175.369 174.600 -0.115 0.000 1.309 805 S CA -0.477 57.663 58.200 -0.100 0.000 1.043 805 S CB 0.481 63.626 63.200 -0.091 0.000 0.939 805 S HN 0.436 nan 8.310 nan 0.000 0.504 806 M N 3.282 122.772 119.600 -0.183 0.000 2.383 806 M HA 0.072 4.552 4.480 -0.000 0.000 0.247 806 M C 1.555 177.758 176.300 -0.163 0.000 1.117 806 M CA -0.063 55.093 55.300 -0.241 0.000 0.995 806 M CB -0.186 32.117 32.600 -0.495 0.000 1.480 806 M HN 0.606 nan 8.290 nan 0.000 0.485 807 T N 1.997 116.488 114.554 -0.106 0.000 2.652 807 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 807 T C -0.616 174.159 174.700 0.125 0.000 1.039 807 T CA 1.586 63.690 62.100 0.005 0.000 1.153 807 T CB -1.426 67.397 68.868 -0.074 0.000 0.863 807 T HN 0.324 nan 8.240 nan 0.000 0.428 808 P HA -0.165 nan 4.420 nan 0.000 0.215 808 P C 1.788 179.142 177.300 0.090 0.000 1.153 808 P CA 1.268 64.414 63.100 0.076 0.000 0.853 808 P CB -0.220 31.503 31.700 0.039 0.000 0.788 809 M N -1.247 118.394 119.600 0.068 0.000 2.073 809 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 809 M C 2.539 178.942 176.300 0.172 0.000 1.070 809 M CA 2.138 57.487 55.300 0.082 0.000 1.103 809 M CB -0.802 31.802 32.600 0.007 0.000 1.321 809 M HN -0.163 nan 8.290 nan 0.000 0.405 810 Y N 0.997 121.351 120.300 0.090 0.000 2.114 810 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 810 Y C 1.780 177.768 175.900 0.146 0.000 1.143 810 Y CA 1.868 60.077 58.100 0.182 0.000 1.135 810 Y CB -0.636 37.949 38.460 0.209 0.000 0.980 810 Y HN 0.237 nan 8.280 nan 0.000 0.499 811 L N 0.458 121.722 121.223 0.068 0.000 2.551 811 L HA -0.210 4.130 4.340 -0.000 0.000 0.230 811 L C 2.184 179.050 176.870 -0.007 0.000 1.163 811 L CA 1.561 56.384 54.840 -0.029 0.000 0.826 811 L CB -0.341 41.817 42.059 0.165 0.000 0.943 811 L HN 0.477 nan 8.230 nan 0.000 0.452 812 Q N -1.790 118.013 119.800 0.006 0.000 2.245 812 Q HA 0.010 4.349 4.340 -0.000 0.000 0.250 812 Q C 1.677 177.698 176.000 0.036 0.000 0.830 812 Q CA 0.034 55.856 55.803 0.032 0.000 0.950 812 Q CB 0.718 29.479 28.738 0.037 0.000 1.124 812 Q HN 0.481 nan 8.270 nan 0.000 0.502 813 Q N -0.937 118.876 119.800 0.021 0.000 2.606 813 Q HA 0.114 4.454 4.340 -0.000 0.000 0.215 813 Q C 1.495 177.503 176.000 0.013 0.000 0.908 813 Q CA 0.066 55.896 55.803 0.045 0.000 0.908 813 Q CB 0.631 29.427 28.738 0.096 0.000 1.120 813 Q HN 0.191 nan 8.270 nan 0.000 0.628 814 L N 0.331 121.534 121.223 -0.033 0.000 2.145 814 L HA 0.170 4.510 4.340 -0.000 0.000 0.201 814 L C 2.357 179.089 176.870 -0.231 0.000 1.075 814 L CA 1.496 56.301 54.840 -0.057 0.000 0.773 814 L CB -1.696 40.466 42.059 0.172 0.000 0.936 814 L HN 0.189 nan 8.230 nan 0.000 0.451 815 A N 1.185 123.627 122.820 -0.629 0.000 1.894 815 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 815 A C 0.101 177.565 177.584 -0.200 0.000 1.237 815 A CA 2.531 54.236 52.037 -0.554 0.000 0.660 815 A CB -2.150 16.463 19.000 -0.645 0.000 0.835 815 A HN 0.301 nan 8.150 nan 0.000 0.461 816 P HA -0.124 nan 4.420 nan 0.000 0.216 816 P C 1.710 178.983 177.300 -0.045 0.000 1.153 816 P CA 1.484 64.564 63.100 -0.034 0.000 0.858 816 P CB -0.153 31.552 31.700 0.009 0.000 0.789 817 V N 0.038 119.920 119.914 -0.054 0.000 2.233 817 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 817 V C 2.288 178.324 176.094 -0.096 0.000 1.050 817 V CA 2.045 64.303 62.300 -0.069 0.000 1.010 817 V CB -1.206 30.534 31.823 -0.138 0.000 0.637 817 V HN 0.164 nan 8.190 nan 0.000 0.444 818 E N -0.122 120.008 120.200 -0.117 0.000 2.065 818 E HA -0.291 4.059 4.350 -0.000 0.000 0.201 818 E C 2.176 178.767 176.600 -0.015 0.000 1.016 818 E CA 1.904 58.280 56.400 -0.041 0.000 0.818 818 E CB -0.360 29.376 29.700 0.059 0.000 0.749 818 E HN 0.495 nan 8.360 nan 0.000 0.453 819 L N 0.325 121.525 121.223 -0.039 0.000 2.043 819 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 819 L C 2.556 179.392 176.870 -0.056 0.000 1.075 819 L CA 1.154 55.962 54.840 -0.053 0.000 0.752 819 L CB -0.512 41.508 42.059 -0.065 0.000 0.891 819 L HN 0.196 nan 8.230 nan 0.000 0.432 820 A N -0.637 122.167 122.820 -0.027 0.000 1.969 820 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 820 A C 2.166 179.817 177.584 0.112 0.000 1.169 820 A CA 1.258 53.314 52.037 0.032 0.000 0.635 820 A CB -0.571 18.475 19.000 0.076 0.000 0.810 820 A HN 0.237 nan 8.150 nan 0.000 0.445 821 V N -0.243 119.725 119.914 0.091 0.000 3.141 821 V HA -0.117 4.003 4.120 -0.000 0.000 0.265 821 V C 1.970 178.203 176.094 0.233 0.000 1.126 821 V CA 1.408 63.804 62.300 0.159 0.000 1.141 821 V CB -0.639 31.215 31.823 0.052 0.000 0.743 821 V HN 0.552 nan 8.190 nan 0.000 0.492 822 I N -0.531 120.121 120.570 0.138 0.000 3.132 822 I HA 0.115 4.285 4.170 -0.000 0.000 0.255 822 I C 2.641 178.803 176.117 0.075 0.000 1.118 822 I CA 0.817 62.194 61.300 0.128 0.000 1.463 822 I CB -0.651 37.391 38.000 0.070 0.000 1.356 822 I HN 0.186 nan 8.210 nan 0.000 0.463 823 A N 2.713 125.514 122.820 -0.031 0.000 1.865 823 A HA -0.283 4.037 4.320 -0.000 0.000 0.244 823 A C 0.101 177.700 177.584 0.025 0.000 1.984 823 A CA 3.169 55.123 52.037 -0.139 0.000 0.785 823 A CB -2.742 15.942 19.000 -0.527 0.000 0.849 823 A HN 0.345 nan 8.150 nan 0.000 0.501 824 P HA -0.192 nan 4.420 nan 0.000 0.216 824 P C 1.364 178.672 177.300 0.014 0.000 1.150 824 P CA 1.974 65.180 63.100 0.176 0.000 0.843 824 P CB -0.303 31.546 31.700 0.247 0.000 0.787 825 M N -1.376 118.221 119.600 -0.005 0.000 2.447 825 M HA 0.094 4.574 4.480 -0.000 0.000 0.264 825 M C 1.360 177.650 176.300 -0.017 0.000 1.095 825 M CA -0.132 55.127 55.300 -0.069 0.000 1.125 825 M CB -1.235 31.332 32.600 -0.055 0.000 1.389 825 M HN -0.084 nan 8.290 nan 0.000 0.459 826 L N 2.766 124.006 121.223 0.028 0.000 2.529 826 L HA -0.059 4.281 4.340 -0.000 0.000 0.287 826 L C -0.671 176.245 176.870 0.076 0.000 1.241 826 L CA -0.762 54.119 54.840 0.067 0.000 0.857 826 L CB -0.154 41.961 42.059 0.093 0.000 1.113 826 L HN 0.052 nan 8.230 nan 0.000 0.504 827 P HA -0.137 nan 4.420 nan 0.000 0.224 827 P C 0.057 177.484 177.300 0.212 0.000 1.157 827 P CA 0.986 64.149 63.100 0.106 0.000 0.799 827 P CB 0.254 31.998 31.700 0.074 0.000 0.809 828 F N 3.700 123.698 119.950 0.081 0.000 2.451 828 F HA 0.482 5.009 4.527 0.000 0.000 0.367 828 F C -2.492 173.464 175.800 0.260 0.000 1.100 828 F CA -4.187 53.892 58.000 0.131 0.000 1.171 828 F CB 0.330 39.377 39.000 0.080 0.000 1.405 828 F HN -0.208 nan 8.300 nan 0.000 0.482 829 P HA -0.006 nan 4.420 nan 0.000 0.269 829 P C -2.757 174.384 177.300 -0.265 0.000 1.200 829 P CA -0.639 62.449 63.100 -0.020 0.000 0.779 829 P CB -0.134 31.601 31.700 0.060 0.000 0.841 830 P HA 0.126 nan 4.420 nan 0.000 0.269 830 P C -0.755 176.436 177.300 -0.183 0.000 1.215 830 P CA 0.552 63.341 63.100 -0.518 0.000 0.780 830 P CB 0.091 31.515 31.700 -0.461 0.000 0.898 831 F N 2.432 122.178 119.950 -0.340 0.000 2.902 831 F HA 0.343 4.870 4.527 0.000 0.000 0.368 831 F C -0.818 174.936 175.800 -0.077 0.000 1.202 831 F CA -0.406 57.518 58.000 -0.127 0.000 1.109 831 F CB 0.880 39.864 39.000 -0.027 0.000 1.418 831 F HN 0.250 nan 8.300 nan 0.000 0.527 832 Q N 2.954 122.530 119.800 -0.374 0.000 2.306 832 Q HA 0.860 5.200 4.340 -0.000 0.000 0.269 832 Q C -1.464 174.232 176.000 -0.507 0.000 1.053 832 Q CA -1.420 54.130 55.803 -0.422 0.000 0.879 832 Q CB 3.248 31.836 28.738 -0.250 0.000 1.344 832 Q HN 0.393 nan 8.270 nan 0.000 0.464 833 V N 2.363 121.930 119.914 -0.579 0.000 2.623 833 V HA 0.347 4.467 4.120 -0.000 0.000 0.304 833 V C -2.309 173.382 176.094 -0.672 0.000 1.054 833 V CA -1.860 60.029 62.300 -0.685 0.000 0.882 833 V CB 1.872 33.217 31.823 -0.797 0.000 1.002 833 V HN 0.729 nan 8.190 nan 0.000 0.424 834 P HA -0.116 nan 4.420 nan 0.000 0.265 834 P C -1.327 175.739 177.300 -0.390 0.000 1.167 834 P CA 0.474 63.361 63.100 -0.355 0.000 0.760 834 P CB 0.267 31.829 31.700 -0.230 0.000 0.783 835 Y N 1.354 121.566 120.300 -0.147 0.000 2.335 835 Y HA 0.364 4.914 4.550 0.000 0.000 0.339 835 Y C 0.811 176.663 175.900 -0.079 0.000 0.987 835 Y CA -0.622 57.406 58.100 -0.120 0.000 1.140 835 Y CB 1.571 39.939 38.460 -0.152 0.000 1.173 835 Y HN 0.192 nan 8.280 nan 0.000 0.486 836 V N 3.171 123.132 119.914 0.079 0.000 2.604 836 V HA 0.599 4.719 4.120 -0.000 0.000 0.305 836 V C 0.337 176.473 176.094 0.069 0.000 1.043 836 V CA -1.133 61.201 62.300 0.056 0.000 0.888 836 V CB 1.690 33.534 31.823 0.034 0.000 0.995 836 V HN 0.898 nan 8.190 nan 0.000 0.429 837 R N 4.554 125.080 120.500 0.044 0.000 2.027 837 R HA 0.268 4.608 4.340 -0.000 0.000 0.191 837 R C 1.182 177.484 176.300 0.004 0.000 1.221 837 R CA 0.799 56.897 56.100 -0.003 0.000 1.133 837 R CB -0.556 29.732 30.300 -0.021 0.000 0.770 837 R HN 0.637 nan 8.270 nan 0.000 0.515 838 L N 1.447 122.643 121.223 -0.044 0.000 2.612 838 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 838 L C 0.440 177.417 176.870 0.178 0.000 1.140 838 L CA -0.117 54.752 54.840 0.048 0.000 0.896 838 L CB -0.251 41.653 42.059 -0.259 0.000 1.065 838 L HN 0.368 nan 8.230 nan 0.000 0.447 839 D N 1.426 121.883 120.400 0.095 0.000 2.545 839 D HA -0.022 4.618 4.640 -0.000 0.000 0.227 839 D C 1.483 177.780 176.300 -0.005 0.000 1.150 839 D CA 0.104 54.136 54.000 0.053 0.000 1.046 839 D CB 0.414 41.235 40.800 0.034 0.000 1.098 839 D HN 0.131 nan 8.370 nan 0.000 0.502 840 R N 2.072 122.522 120.500 -0.083 0.000 2.143 840 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 840 R C 1.033 177.221 176.300 -0.187 0.000 1.126 840 R CA 1.966 57.800 56.100 -0.444 0.000 0.927 840 R CB 0.058 29.994 30.300 -0.606 0.000 0.860 840 R HN 0.329 nan 8.270 nan 0.000 0.433 841 D N -0.091 120.308 120.400 -0.001 0.000 2.191 841 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 841 D C 1.624 177.965 176.300 0.068 0.000 1.003 841 D CA 1.385 55.444 54.000 0.100 0.000 0.867 841 D CB -0.199 40.630 40.800 0.050 0.000 0.926 841 D HN 0.402 nan 8.370 nan 0.000 0.450 842 R N 0.314 120.838 120.500 0.040 0.000 2.320 842 R HA 0.117 4.457 4.340 -0.000 0.000 0.211 842 R C 0.164 176.507 176.300 0.072 0.000 0.931 842 R CA -0.141 56.004 56.100 0.075 0.000 1.071 842 R CB 0.542 30.887 30.300 0.075 0.000 1.025 842 R HN -0.005 nan 8.270 nan 0.000 0.495 843 V N 4.911 124.833 119.914 0.015 0.000 2.521 843 V HA 0.059 4.179 4.120 -0.000 0.000 0.286 843 V C -1.706 174.422 176.094 0.057 0.000 1.034 843 V CA -1.229 61.068 62.300 -0.006 0.000 1.045 843 V CB 0.889 32.646 31.823 -0.109 0.000 0.974 843 V HN 0.075 nan 8.190 nan 0.000 0.480 844 P HA 0.215 nan 4.420 nan 0.000 0.275 844 P C 0.202 177.542 177.300 0.067 0.000 1.228 844 P CA -0.065 63.088 63.100 0.088 0.000 0.786 844 P CB 1.310 32.917 31.700 -0.154 0.000 0.927 845 T N -1.677 112.945 114.554 0.114 0.000 3.080 845 T HA 0.361 4.711 4.350 -0.000 0.000 0.280 845 T C 0.303 175.064 174.700 0.101 0.000 0.926 845 T CA -0.138 62.020 62.100 0.096 0.000 0.883 845 T CB 0.077 69.011 68.868 0.111 0.000 1.194 845 T HN 0.436 nan 8.240 nan 0.000 0.541 846 M N 1.639 121.315 119.600 0.126 0.000 2.414 846 M HA 0.617 5.097 4.480 -0.000 0.000 0.287 846 M C -2.493 173.916 176.300 0.182 0.000 1.181 846 M CA -0.691 54.686 55.300 0.129 0.000 0.933 846 M CB 2.458 35.116 32.600 0.098 0.000 1.732 846 M HN -0.055 nan 8.290 nan 0.000 0.486 847 V N 3.151 123.183 119.914 0.197 0.000 2.525 847 V HA 0.919 5.039 4.120 -0.000 0.000 0.299 847 V C 0.048 176.286 176.094 0.240 0.000 1.034 847 V CA -0.457 62.016 62.300 0.288 0.000 0.863 847 V CB 1.500 33.544 31.823 0.370 0.000 0.999 847 V HN 0.979 nan 8.190 nan 0.000 0.423 848 G N 2.696 111.639 108.800 0.238 0.000 2.658 848 G HA2 0.782 4.742 3.960 -0.000 0.000 0.292 848 G HA3 0.782 4.742 3.960 -0.000 0.000 0.292 848 G C -1.536 173.459 174.900 0.159 0.000 1.320 848 G CA -0.709 44.490 45.100 0.165 0.000 0.933 848 G HN 0.563 nan 8.290 nan 0.000 0.476 849 V N 0.021 119.996 119.914 0.101 0.000 2.769 849 V HA 0.819 4.939 4.120 -0.000 0.000 0.312 849 V C 0.213 176.340 176.094 0.054 0.000 1.061 849 V CA -0.599 61.746 62.300 0.074 0.000 0.931 849 V CB 1.891 33.738 31.823 0.040 0.000 1.010 849 V HN 1.157 nan 8.190 nan 0.000 0.433 850 T N 0.467 115.048 114.554 0.045 0.000 2.893 850 T HA 0.610 4.960 4.350 -0.000 0.000 0.291 850 T C 0.187 174.898 174.700 0.019 0.000 1.028 850 T CA -0.809 61.310 62.100 0.033 0.000 0.995 850 T CB 2.357 71.248 68.868 0.039 0.000 1.051 850 T HN 0.591 nan 8.240 nan 0.000 0.470 851 R N 0.029 120.537 120.500 0.012 0.000 2.316 851 R HA 0.221 4.561 4.340 -0.000 0.000 0.201 851 R C 0.473 176.773 176.300 -0.001 0.000 0.888 851 R CA -0.277 55.823 56.100 0.001 0.000 1.041 851 R CB 0.339 30.639 30.300 -0.001 0.000 1.115 851 R HN 0.527 nan 8.270 nan 0.000 0.559 852 Q N 1.076 120.882 119.800 0.010 0.000 2.193 852 Q HA 0.248 4.588 4.340 -0.000 0.000 0.246 852 Q C -0.003 176.011 176.000 0.024 0.000 0.959 852 Q CA -0.271 55.541 55.803 0.015 0.000 0.904 852 Q CB 1.746 30.495 28.738 0.019 0.000 1.238 852 Q HN 0.067 nan 8.270 nan 0.000 0.469 853 S N 0.279 116.000 115.700 0.036 0.000 2.601 853 S HA 0.284 4.754 4.470 -0.000 0.000 0.271 853 S C 0.853 175.475 174.600 0.037 0.000 1.305 853 S CA -0.698 57.529 58.200 0.045 0.000 1.022 853 S CB 1.132 64.373 63.200 0.069 0.000 0.940 853 S HN 0.449 nan 8.310 nan 0.000 0.525 854 R N 1.043 121.565 120.500 0.036 0.000 2.316 854 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 854 R C 0.276 176.591 176.300 0.024 0.000 1.137 854 R CA 1.572 57.689 56.100 0.028 0.000 1.012 854 R CB -0.913 29.404 30.300 0.028 0.000 0.859 854 R HN 0.933 nan 8.270 nan 0.000 0.474 855 D N -1.004 119.413 120.400 0.029 0.000 2.491 855 D HA -0.000 4.640 4.640 -0.000 0.000 0.228 855 D C -0.161 176.153 176.300 0.023 0.000 1.183 855 D CA -0.312 53.703 54.000 0.024 0.000 0.827 855 D CB 0.428 41.243 40.800 0.026 0.000 0.989 855 D HN -0.036 nan 8.370 nan 0.000 0.494 856 T N -2.463 112.104 114.554 0.023 0.000 2.903 856 T HA 0.573 4.923 4.350 -0.000 0.000 0.299 856 T C -0.599 174.110 174.700 0.016 0.000 1.093 856 T CA -0.957 61.155 62.100 0.021 0.000 1.002 856 T CB 1.620 70.504 68.868 0.027 0.000 1.127 856 T HN 0.089 nan 8.240 nan 0.000 0.488 857 I N 3.224 123.801 120.570 0.013 0.000 2.390 857 I HA 0.404 4.574 4.170 -0.000 0.000 0.283 857 I C 0.587 176.710 176.117 0.010 0.000 1.016 857 I CA -0.549 60.756 61.300 0.009 0.000 1.151 857 I CB 1.369 39.372 38.000 0.006 0.000 1.293 857 I HN 0.992 nan 8.210 nan 0.000 0.458 858 T N 1.280 115.840 114.554 0.010 0.000 2.841 858 T HA 0.414 4.764 4.350 -0.000 0.000 0.276 858 T C -0.283 174.422 174.700 0.008 0.000 1.003 858 T CA -0.879 61.227 62.100 0.010 0.000 0.995 858 T CB 1.383 70.258 68.868 0.012 0.000 1.260 858 T HN 0.344 nan 8.240 nan 0.000 0.581 859 Q N 2.545 122.350 119.800 0.009 0.000 2.289 859 Q HA 0.281 4.621 4.340 -0.000 0.000 0.273 859 Q C -2.150 173.856 176.000 0.009 0.000 1.029 859 Q CA -1.353 54.455 55.803 0.008 0.000 0.896 859 Q CB 0.320 29.063 28.738 0.008 0.000 1.182 859 Q HN 0.429 nan 8.270 nan 0.000 0.385 860 P HA 0.134 nan 4.420 nan 0.000 0.276 860 P C -1.562 175.744 177.300 0.010 0.000 1.264 860 P CA -0.133 62.972 63.100 0.009 0.000 0.769 860 P CB 0.839 32.543 31.700 0.007 0.000 0.840 861 A N 5.267 128.094 122.820 0.013 0.000 2.536 861 A HA 0.406 4.726 4.320 -0.000 0.000 0.329 861 A C -0.183 177.410 177.584 0.016 0.000 1.321 861 A CA -0.654 51.390 52.037 0.012 0.000 0.804 861 A CB -0.065 18.942 19.000 0.011 0.000 1.126 861 A HN 0.392 nan 8.150 nan 0.000 0.480 862 L N 1.850 123.084 121.223 0.017 0.000 2.456 862 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 862 L C 1.054 177.938 176.870 0.023 0.000 1.189 862 L CA 0.854 55.708 54.840 0.023 0.000 0.846 862 L CB 0.718 42.792 42.059 0.024 0.000 1.111 862 L HN 0.682 nan 8.230 nan 0.000 0.475 863 S N 3.525 119.244 115.700 0.032 0.000 2.572 863 S HA 0.166 4.636 4.470 -0.000 0.000 0.279 863 S C 1.547 176.164 174.600 0.028 0.000 1.341 863 S CA -0.742 57.476 58.200 0.030 0.000 1.043 863 S CB 0.455 63.681 63.200 0.044 0.000 0.887 863 S HN 0.507 nan 8.310 nan 0.000 0.516 864 L N 1.717 122.950 121.223 0.017 0.000 2.187 864 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 864 L C 2.762 179.649 176.870 0.029 0.000 1.100 864 L CA 1.391 56.237 54.840 0.010 0.000 0.765 864 L CB -1.152 40.905 42.059 -0.003 0.000 0.904 864 L HN 0.935 nan 8.230 nan 0.000 0.437 865 S N -0.814 114.914 115.700 0.048 0.000 2.441 865 S HA -0.216 4.254 4.470 -0.000 0.000 0.242 865 S C 1.837 176.489 174.600 0.086 0.000 1.018 865 S CA 1.730 59.977 58.200 0.079 0.000 0.988 865 S CB -1.029 62.234 63.200 0.105 0.000 0.778 865 S HN 0.638 nan 8.310 nan 0.000 0.498 866 T N -0.838 113.758 114.554 0.070 0.000 3.129 866 T HA 0.079 4.429 4.350 -0.000 0.000 0.251 866 T C 1.581 176.311 174.700 0.051 0.000 1.117 866 T CA 0.827 62.968 62.100 0.069 0.000 1.034 866 T CB -0.538 68.367 68.868 0.061 0.000 0.968 866 T HN 0.628 nan 8.240 nan 0.000 0.526 867 T N -0.208 114.369 114.554 0.037 0.000 3.148 867 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 867 T C 0.550 175.271 174.700 0.036 0.000 1.134 867 T CA -0.484 61.630 62.100 0.023 0.000 1.051 867 T CB -0.501 68.361 68.868 -0.009 0.000 0.959 867 T HN 0.200 nan 8.240 nan 0.000 0.525 868 N N 1.690 120.423 118.700 0.054 0.000 2.514 868 N HA 0.179 4.919 4.740 -0.000 0.000 0.277 868 N C 0.926 176.478 175.510 0.070 0.000 1.126 868 N CA -0.040 53.049 53.050 0.065 0.000 0.978 868 N CB 1.690 40.226 38.487 0.081 0.000 1.106 868 N HN 0.146 nan 8.380 nan 0.000 0.461 869 T N 1.014 115.610 114.554 0.070 0.000 2.746 869 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 869 T C 0.970 175.721 174.700 0.085 0.000 1.039 869 T CA 1.309 63.455 62.100 0.077 0.000 1.142 869 T CB 0.081 68.995 68.868 0.076 0.000 0.866 869 T HN 0.550 nan 8.240 nan 0.000 0.444 870 T N 1.314 115.919 114.554 0.084 0.000 2.833 870 T HA 0.243 4.593 4.350 -0.000 0.000 0.312 870 T C 1.964 176.714 174.700 0.082 0.000 1.085 870 T CA 0.045 62.196 62.100 0.085 0.000 0.955 870 T CB 0.562 69.481 68.868 0.086 0.000 1.353 870 T HN 0.097 nan 8.240 nan 0.000 0.544 871 V N -2.453 117.504 119.914 0.071 0.000 2.788 871 V HA 0.428 4.548 4.120 -0.000 0.000 0.251 871 V C 0.899 177.051 176.094 0.097 0.000 1.068 871 V CA 1.095 63.435 62.300 0.066 0.000 1.090 871 V CB -1.092 30.735 31.823 0.007 0.000 0.710 871 V HN 0.920 nan 8.190 nan 0.000 0.467 872 G N -0.604 108.257 108.800 0.101 0.000 2.866 872 G HA2 0.545 4.505 3.960 -0.000 0.000 0.289 872 G HA3 0.545 4.505 3.960 -0.000 0.000 0.289 872 G C -1.122 173.852 174.900 0.124 0.000 1.396 872 G CA -0.449 44.730 45.100 0.130 0.000 0.848 872 G HN 0.113 nan 8.290 nan 0.000 0.515 873 V N 1.799 121.797 119.914 0.140 0.000 2.540 873 V HA 0.174 4.294 4.120 -0.000 0.000 0.297 873 V C -1.907 174.270 176.094 0.138 0.000 1.024 873 V CA -0.553 61.831 62.300 0.140 0.000 1.105 873 V CB 0.893 32.814 31.823 0.164 0.000 0.938 873 V HN 0.439 nan 8.190 nan 0.000 0.482 874 P HA 0.273 nan 4.420 nan 0.000 0.271 874 P C -0.842 176.491 177.300 0.054 0.000 1.220 874 P CA -0.206 62.946 63.100 0.087 0.000 0.768 874 P CB 0.664 32.412 31.700 0.080 0.000 0.848 875 L N 3.750 124.969 121.223 -0.008 0.000 2.381 875 L HA 0.725 5.065 4.340 -0.000 0.000 0.274 875 L C -0.889 175.919 176.870 -0.103 0.000 0.988 875 L CA -0.917 53.819 54.840 -0.173 0.000 0.824 875 L CB 1.378 43.313 42.059 -0.207 0.000 1.263 875 L HN 0.350 nan 8.230 nan 0.000 0.410 876 A N 6.274 129.021 122.820 -0.122 0.000 2.276 876 A HA 0.768 5.088 4.320 -0.000 0.000 0.316 876 A C -0.899 176.665 177.584 -0.033 0.000 1.229 876 A CA -0.506 51.511 52.037 -0.033 0.000 0.851 876 A CB 0.347 19.347 19.000 0.001 0.000 1.165 876 A HN 0.738 nan 8.150 nan 0.000 0.513 877 L N 1.038 122.271 121.223 0.017 0.000 2.332 877 L HA 0.454 4.794 4.340 -0.000 0.000 0.269 877 L C -0.471 176.430 176.870 0.052 0.000 1.016 877 L CA -1.046 53.811 54.840 0.028 0.000 0.809 877 L CB 1.636 43.722 42.059 0.046 0.000 1.280 877 L HN 0.654 nan 8.230 nan 0.000 0.447 878 D N 0.442 120.872 120.400 0.049 0.000 2.359 878 D HA 0.352 4.992 4.640 -0.000 0.000 0.230 878 D C 0.701 177.034 176.300 0.055 0.000 1.118 878 D CA -0.168 53.861 54.000 0.049 0.000 0.844 878 D CB 1.942 42.760 40.800 0.029 0.000 1.059 878 D HN 0.586 nan 8.370 nan 0.000 0.493 879 A N 5.318 128.166 122.820 0.048 0.000 1.927 879 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 879 A C 2.138 179.739 177.584 0.029 0.000 1.185 879 A CA 1.724 53.778 52.037 0.029 0.000 0.639 879 A CB -0.409 18.585 19.000 -0.009 0.000 0.820 879 A HN 0.696 nan 8.150 nan 0.000 0.451 880 R N -0.490 120.028 120.500 0.029 0.000 2.103 880 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 880 R C 2.411 178.737 176.300 0.043 0.000 1.132 880 R CA 1.895 58.012 56.100 0.028 0.000 0.925 880 R CB -0.649 29.659 30.300 0.014 0.000 0.842 880 R HN 0.437 nan 8.270 nan 0.000 0.430 881 A N 1.305 124.150 122.820 0.041 0.000 1.881 881 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 881 A C 2.283 179.972 177.584 0.174 0.000 1.215 881 A CA 2.182 54.273 52.037 0.090 0.000 0.648 881 A CB -0.894 18.138 19.000 0.054 0.000 0.832 881 A HN 0.484 nan 8.150 nan 0.000 0.455 882 I N -0.879 119.779 120.570 0.147 0.000 2.151 882 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 882 I C 2.670 178.815 176.117 0.047 0.000 1.080 882 I CA 1.913 63.306 61.300 0.155 0.000 1.339 882 I CB -0.824 37.275 38.000 0.166 0.000 1.039 882 I HN 0.313 nan 8.210 nan 0.000 0.409 883 T N 0.614 115.183 114.554 0.025 0.000 2.674 883 T HA -0.143 4.207 4.350 -0.000 0.000 0.265 883 T C 2.042 176.727 174.700 -0.024 0.000 1.039 883 T CA 1.483 63.571 62.100 -0.021 0.000 1.150 883 T CB -0.326 68.525 68.868 -0.027 0.000 0.864 883 T HN 0.097 nan 8.240 nan 0.000 0.427 884 V N 1.872 121.798 119.914 0.020 0.000 2.282 884 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 884 V C 2.872 178.908 176.094 -0.096 0.000 1.057 884 V CA 1.920 64.234 62.300 0.024 0.000 1.032 884 V CB -1.323 30.591 31.823 0.151 0.000 0.645 884 V HN 0.557 nan 8.190 nan 0.000 0.447 885 A N -0.356 122.354 122.820 -0.182 0.000 1.892 885 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 885 A C 2.111 179.398 177.584 -0.495 0.000 1.188 885 A CA 2.156 53.845 52.037 -0.579 0.000 0.631 885 A CB -0.681 17.714 19.000 -1.008 0.000 0.822 885 A HN 0.434 nan 8.150 nan 0.000 0.447 886 L N -1.299 119.735 121.223 -0.315 0.000 2.187 886 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 886 L C 2.129 178.922 176.870 -0.128 0.000 1.100 886 L CA 1.146 55.883 54.840 -0.171 0.000 0.765 886 L CB -0.537 41.482 42.059 -0.067 0.000 0.904 886 L HN 0.290 nan 8.230 nan 0.000 0.437 887 L N -1.736 119.416 121.223 -0.118 0.000 2.375 887 L HA 0.089 4.429 4.340 -0.000 0.000 0.215 887 L C 1.214 178.020 176.870 -0.107 0.000 1.108 887 L CA 0.814 55.608 54.840 -0.076 0.000 0.830 887 L CB -0.349 41.693 42.059 -0.027 0.000 0.959 887 L HN 0.349 nan 8.230 nan 0.000 0.457 888 S N -1.643 113.958 115.700 -0.166 0.000 2.327 888 S HA 0.664 5.134 4.470 -0.000 0.000 0.203 888 S C 0.221 174.684 174.600 -0.228 0.000 1.326 888 S CA -0.500 57.597 58.200 -0.171 0.000 1.248 888 S CB 0.321 63.435 63.200 -0.143 0.000 1.199 888 S HN 0.121 nan 8.310 nan 0.000 0.422 889 G N 1.350 110.012 108.800 -0.230 0.000 2.400 889 G HA2 0.721 4.681 3.960 -0.000 0.000 0.333 889 G HA3 0.721 4.681 3.960 -0.000 0.000 0.333 889 G C -0.911 173.848 174.900 -0.236 0.000 1.143 889 G CA -0.969 43.976 45.100 -0.258 0.000 0.914 889 G HN 0.648 nan 8.290 nan 0.000 0.480 890 K N 0.374 120.638 120.400 -0.227 0.000 2.568 890 K HA 0.412 4.732 4.320 -0.000 0.000 0.273 890 K C -1.614 174.922 176.600 -0.106 0.000 0.951 890 K CA -1.023 55.135 56.287 -0.214 0.000 0.854 890 K CB 1.365 33.781 32.500 -0.142 0.000 1.424 890 K HN 0.516 nan 8.250 nan 0.000 0.427 891 Y N 0.340 120.547 120.300 -0.154 0.000 2.458 891 Y HA 0.374 4.924 4.550 -0.000 0.000 0.322 891 Y C -1.908 173.900 175.900 -0.154 0.000 1.259 891 Y CA -2.712 55.273 58.100 -0.193 0.000 1.302 891 Y CB 1.462 39.819 38.460 -0.172 0.000 1.314 891 Y HN 0.376 nan 8.280 nan 0.000 0.509 892 P HA 0.071 nan 4.420 nan 0.000 0.280 892 P C -1.972 175.333 177.300 0.009 0.000 1.244 892 P CA -1.298 61.794 63.100 -0.014 0.000 0.784 892 P CB 0.659 32.337 31.700 -0.038 0.000 0.913 893 P HA -0.171 nan 4.420 nan 0.000 0.219 893 P C 0.114 177.424 177.300 0.017 0.000 1.146 893 P CA 1.513 64.624 63.100 0.018 0.000 0.808 893 P CB -0.030 31.676 31.700 0.010 0.000 0.779 894 D N -0.793 119.617 120.400 0.015 0.000 2.722 894 D HA 0.152 4.792 4.640 -0.000 0.000 0.239 894 D C 0.273 176.583 176.300 0.017 0.000 1.249 894 D CA -0.867 53.145 54.000 0.021 0.000 0.830 894 D CB -0.835 39.983 40.800 0.030 0.000 1.025 894 D HN 0.043 nan 8.370 nan 0.000 0.486 895 L N 0.627 121.840 121.223 -0.017 0.000 2.380 895 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 895 L C -0.600 176.248 176.870 -0.037 0.000 1.138 895 L CA -0.169 54.629 54.840 -0.071 0.000 0.832 895 L CB 1.271 43.196 42.059 -0.223 0.000 1.124 895 L HN 0.066 nan 8.230 nan 0.000 0.454 896 V N 4.599 124.509 119.914 -0.006 0.000 2.538 896 V HA 0.144 4.264 4.120 -0.000 0.000 0.265 896 V C 1.084 177.217 176.094 0.065 0.000 0.977 896 V CA 0.092 62.408 62.300 0.027 0.000 0.852 896 V CB 0.254 32.102 31.823 0.041 0.000 1.058 896 V HN 1.001 nan 8.190 nan 0.000 0.462 897 T N 0.762 115.348 114.554 0.054 0.000 2.572 897 T HA -0.386 3.964 4.350 -0.000 0.000 0.258 897 T C 1.637 176.530 174.700 0.322 0.000 1.154 897 T CA 2.499 64.711 62.100 0.185 0.000 1.157 897 T CB -0.526 68.513 68.868 0.284 0.000 0.856 897 T HN 0.506 nan 8.240 nan 0.000 0.443 898 N N 1.279 120.141 118.700 0.269 0.000 2.133 898 N HA -0.115 4.625 4.740 -0.000 0.000 0.193 898 N C 1.988 177.569 175.510 0.119 0.000 1.012 898 N CA 1.691 54.878 53.050 0.229 0.000 0.871 898 N CB -0.666 37.869 38.487 0.081 0.000 1.011 898 N HN 0.470 nan 8.380 nan 0.000 0.435 899 V N 0.463 120.409 119.914 0.054 0.000 2.300 899 V HA -0.109 4.011 4.120 -0.000 0.000 0.241 899 V C 2.149 178.238 176.094 -0.008 0.000 1.034 899 V CA 0.992 63.257 62.300 -0.059 0.000 1.021 899 V CB -0.633 31.171 31.823 -0.032 0.000 0.662 899 V HN 0.428 nan 8.190 nan 0.000 0.458 900 W N 0.964 122.182 121.300 -0.137 0.000 2.289 900 W HA -0.318 4.342 4.660 -0.000 0.000 0.331 900 W C 2.467 178.825 176.519 -0.269 0.000 1.283 900 W CA 2.385 59.589 57.345 -0.236 0.000 1.252 900 W CB -1.086 28.140 29.460 -0.392 0.000 1.153 900 W HN 0.361 nan 8.180 nan 0.000 0.467 901 Y N 0.781 121.215 120.300 0.224 0.000 2.274 901 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 901 Y C 2.852 178.717 175.900 -0.059 0.000 1.145 901 Y CA 1.974 60.072 58.100 -0.004 0.000 1.203 901 Y CB -1.071 37.168 38.460 -0.368 0.000 0.984 901 Y HN 0.033 nan 8.280 nan 0.000 0.533 902 A N 0.030 122.899 122.820 0.081 0.000 1.877 902 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 902 A C 1.930 179.572 177.584 0.097 0.000 1.186 902 A CA 2.061 54.091 52.037 -0.012 0.000 0.620 902 A CB -0.692 18.064 19.000 -0.406 0.000 0.822 902 A HN 0.329 nan 8.150 nan 0.000 0.443 903 D N -0.470 119.929 120.400 -0.001 0.000 2.310 903 D HA 0.035 4.675 4.640 -0.000 0.000 0.212 903 D C 1.952 178.260 176.300 0.013 0.000 0.965 903 D CA 1.123 55.200 54.000 0.129 0.000 0.879 903 D CB -0.001 40.796 40.800 -0.006 0.000 0.921 903 D HN 0.436 nan 8.370 nan 0.000 0.510 904 A N -0.193 122.566 122.820 -0.102 0.000 2.030 904 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 904 A C 2.204 179.796 177.584 0.013 0.000 1.164 904 A CA 0.183 52.155 52.037 -0.109 0.000 0.697 904 A CB -0.010 18.905 19.000 -0.142 0.000 0.827 904 A HN 0.132 nan 8.150 nan 0.000 0.457 905 I N -2.256 118.347 120.570 0.055 0.000 2.429 905 I HA -0.084 4.086 4.170 -0.000 0.000 0.247 905 I C 2.315 178.477 176.117 0.074 0.000 1.099 905 I CA 0.847 62.120 61.300 -0.045 0.000 1.422 905 I CB -0.461 37.450 38.000 -0.148 0.000 1.112 905 I HN 0.435 nan 8.210 nan 0.000 0.430 906 Y N 3.737 124.128 120.300 0.151 0.000 1.977 906 Y HA -0.268 4.282 4.550 0.000 0.000 0.264 906 Y C -0.561 175.425 175.900 0.143 0.000 1.167 906 Y CA 2.330 60.566 58.100 0.227 0.000 1.102 906 Y CB -2.062 36.562 38.460 0.272 0.000 0.948 906 Y HN 0.099 nan 8.280 nan 0.000 0.489 907 P HA -0.237 nan 4.420 nan 0.000 0.218 907 P C 1.950 179.133 177.300 -0.195 0.000 1.148 907 P CA 2.337 65.246 63.100 -0.319 0.000 0.822 907 P CB -0.361 31.261 31.700 -0.131 0.000 0.784 908 M N -2.065 117.502 119.600 -0.055 0.000 2.236 908 M HA -0.109 4.371 4.480 -0.000 0.000 0.266 908 M C 1.934 178.321 176.300 0.145 0.000 1.070 908 M CA 1.602 56.926 55.300 0.040 0.000 1.137 908 M CB -0.268 32.388 32.600 0.094 0.000 1.378 908 M HN -0.226 nan 8.290 nan 0.000 0.426 909 Y N 0.014 120.261 120.300 -0.088 0.000 2.420 909 Y HA 0.205 4.755 4.550 0.000 0.000 0.292 909 Y C 2.493 178.075 175.900 -0.529 0.000 1.119 909 Y CA 0.546 58.597 58.100 -0.080 0.000 1.229 909 Y CB -0.973 37.607 38.460 0.201 0.000 1.026 909 Y HN 0.328 nan 8.280 nan 0.000 0.554 910 A N -0.867 121.554 122.820 -0.664 0.000 2.121 910 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 910 A C 1.709 178.810 177.584 -0.805 0.000 1.154 910 A CA 1.799 52.983 52.037 -1.421 0.000 0.679 910 A CB -0.333 18.132 19.000 -0.892 0.000 0.795 910 A HN 0.284 nan 8.150 nan 0.000 0.458 911 D N -1.010 119.139 120.400 -0.419 0.000 2.395 911 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 911 D C 0.459 176.673 176.300 -0.144 0.000 1.110 911 D CA 0.173 54.038 54.000 -0.225 0.000 0.835 911 D CB -0.017 40.709 40.800 -0.123 0.000 0.965 911 D HN 0.261 nan 8.370 nan 0.000 0.505 912 T N 0.364 114.811 114.554 -0.178 0.000 2.939 912 T HA -0.052 4.298 4.350 -0.000 0.000 0.319 912 T C 0.853 175.534 174.700 -0.031 0.000 1.082 912 T CA 0.652 62.689 62.100 -0.105 0.000 1.133 912 T CB 0.569 69.366 68.868 -0.118 0.000 1.019 912 T HN 0.093 nan 8.240 nan 0.000 0.548 913 E N 3.028 123.205 120.200 -0.038 0.000 2.660 913 E HA 0.104 4.454 4.350 -0.000 0.000 0.216 913 E C 1.912 178.477 176.600 -0.057 0.000 0.986 913 E CA -0.047 56.355 56.400 0.003 0.000 1.037 913 E CB 0.364 30.071 29.700 0.012 0.000 1.041 913 E HN 0.514 nan 8.360 nan 0.000 0.480 914 V N 0.976 120.760 119.914 -0.217 0.000 2.222 914 V HA -0.361 3.759 4.120 -0.000 0.000 0.252 914 V C 2.008 177.825 176.094 -0.462 0.000 1.060 914 V CA 2.266 64.260 62.300 -0.510 0.000 1.027 914 V CB -0.841 30.327 31.823 -1.091 0.000 0.644 914 V HN 0.230 nan 8.190 nan 0.000 0.448 915 F N 0.825 120.618 119.950 -0.263 0.000 2.063 915 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 915 F C 2.760 178.631 175.800 0.118 0.000 1.109 915 F CA 2.121 60.075 58.000 -0.077 0.000 1.212 915 F CB -1.122 37.753 39.000 -0.208 0.000 0.973 915 F HN 0.032 nan 8.300 nan 0.000 0.480 916 S N -0.073 115.773 115.700 0.244 0.000 2.368 916 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 916 S C 1.853 176.481 174.600 0.046 0.000 1.030 916 S CA 1.180 59.464 58.200 0.141 0.000 0.999 916 S CB -0.442 62.813 63.200 0.093 0.000 0.844 916 S HN 0.363 nan 8.310 nan 0.000 0.459 917 N N 1.692 120.391 118.700 -0.001 0.000 2.104 917 N HA -0.048 4.692 4.740 -0.000 0.000 0.190 917 N C 1.694 177.180 175.510 -0.039 0.000 1.024 917 N CA 0.881 53.913 53.050 -0.031 0.000 0.853 917 N CB -0.568 37.887 38.487 -0.055 0.000 1.008 917 N HN 0.346 nan 8.380 nan 0.000 0.424 918 L N 1.580 122.775 121.223 -0.047 0.000 2.012 918 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 918 L C 2.533 179.390 176.870 -0.022 0.000 1.073 918 L CA 1.360 56.181 54.840 -0.031 0.000 0.748 918 L CB -0.493 41.563 42.059 -0.006 0.000 0.891 918 L HN 0.239 nan 8.230 nan 0.000 0.431 919 Q N -0.571 119.222 119.800 -0.012 0.000 2.096 919 Q HA -0.279 4.061 4.340 -0.000 0.000 0.204 919 Q C 2.300 178.243 176.000 -0.096 0.000 0.982 919 Q CA 1.611 57.366 55.803 -0.079 0.000 0.850 919 Q CB -0.272 28.404 28.738 -0.102 0.000 0.901 919 Q HN 0.430 nan 8.270 nan 0.000 0.422 920 R N 0.847 121.302 120.500 -0.075 0.000 2.070 920 R HA -0.175 4.165 4.340 -0.000 0.000 0.233 920 R C 1.643 177.889 176.300 -0.090 0.000 1.137 920 R CA 1.926 57.971 56.100 -0.091 0.000 0.945 920 R CB -0.083 30.180 30.300 -0.061 0.000 0.845 920 R HN 0.180 nan 8.270 nan 0.000 0.430 921 D N 0.060 120.422 120.400 -0.063 0.000 2.172 921 D HA -0.259 4.381 4.640 -0.000 0.000 0.196 921 D C 1.726 177.988 176.300 -0.064 0.000 0.999 921 D CA 1.360 55.328 54.000 -0.053 0.000 0.856 921 D CB -0.139 40.641 40.800 -0.035 0.000 0.934 921 D HN 0.225 nan 8.370 nan 0.000 0.453 922 M N 0.010 119.564 119.600 -0.077 0.000 2.086 922 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 922 M C 1.697 177.934 176.300 -0.106 0.000 1.067 922 M CA 1.296 56.546 55.300 -0.083 0.000 1.116 922 M CB -0.205 32.336 32.600 -0.099 0.000 1.348 922 M HN -0.006 nan 8.290 nan 0.000 0.407 923 I N 0.222 120.694 120.570 -0.164 0.000 2.233 923 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 923 I C 2.267 178.293 176.117 -0.151 0.000 1.093 923 I CA 1.401 62.562 61.300 -0.232 0.000 1.380 923 I CB -1.775 35.982 38.000 -0.404 0.000 1.067 923 I HN 0.271 nan 8.210 nan 0.000 0.413 924 T N 0.396 114.878 114.554 -0.120 0.000 2.680 924 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 924 T C 2.095 176.756 174.700 -0.063 0.000 1.033 924 T CA 1.841 63.891 62.100 -0.083 0.000 1.152 924 T CB -0.665 68.162 68.868 -0.068 0.000 0.859 924 T HN 0.434 nan 8.240 nan 0.000 0.452 925 C N 1.499 120.765 119.300 -0.057 0.000 2.496 925 C HA -0.037 4.423 4.460 -0.000 0.000 0.281 925 C C 2.777 177.749 174.990 -0.029 0.000 1.250 925 C CA 0.664 59.659 59.018 -0.038 0.000 1.717 925 C CB -1.043 26.680 27.740 -0.029 0.000 2.082 925 C HN 0.495 nan 8.230 nan 0.000 0.472 926 E N 0.677 120.861 120.200 -0.028 0.000 2.164 926 E HA -0.273 4.077 4.350 -0.000 0.000 0.206 926 E C 2.282 178.881 176.600 -0.002 0.000 1.032 926 E CA 1.777 58.176 56.400 -0.001 0.000 0.832 926 E CB -0.719 28.984 29.700 0.004 0.000 0.742 926 E HN 0.765 nan 8.360 nan 0.000 0.460 927 A N 1.047 123.850 122.820 -0.028 0.000 1.841 927 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 927 A C 2.673 180.247 177.584 -0.016 0.000 1.199 927 A CA 1.983 54.009 52.037 -0.019 0.000 0.621 927 A CB -1.001 17.977 19.000 -0.036 0.000 0.835 927 A HN 0.139 nan 8.150 nan 0.000 0.445 928 V N -0.130 119.767 119.914 -0.027 0.000 2.231 928 V HA -0.383 3.737 4.120 -0.000 0.000 0.250 928 V C 2.782 178.855 176.094 -0.034 0.000 1.058 928 V CA 2.708 64.988 62.300 -0.032 0.000 1.022 928 V CB -0.982 30.818 31.823 -0.038 0.000 0.640 928 V HN 0.739 nan 8.190 nan 0.000 0.445 929 Q N -0.124 119.663 119.800 -0.023 0.000 2.062 929 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 929 Q C 2.259 178.260 176.000 0.002 0.000 0.996 929 Q CA 2.940 58.735 55.803 -0.013 0.000 0.859 929 Q CB -0.783 27.968 28.738 0.021 0.000 0.920 929 Q HN 0.693 nan 8.270 nan 0.000 0.415 930 T N 1.088 115.656 114.554 0.023 0.000 2.635 930 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 930 T C 1.608 176.331 174.700 0.038 0.000 1.040 930 T CA 1.401 63.526 62.100 0.041 0.000 1.156 930 T CB -0.638 68.253 68.868 0.039 0.000 0.863 930 T HN 0.308 nan 8.240 nan 0.000 0.430 931 L N 2.397 123.631 121.223 0.018 0.000 1.963 931 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 931 L C 2.703 179.594 176.870 0.036 0.000 1.076 931 L CA 2.377 57.237 54.840 0.033 0.000 0.772 931 L CB -1.355 40.710 42.059 0.009 0.000 0.892 931 L HN 0.316 nan 8.230 nan 0.000 0.435 932 V N -3.230 116.656 119.914 -0.046 0.000 2.380 932 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 932 V C 2.229 178.280 176.094 -0.072 0.000 1.063 932 V CA 2.547 64.766 62.300 -0.134 0.000 1.055 932 V CB -1.855 29.747 31.823 -0.368 0.000 0.657 932 V HN 0.621 nan 8.190 nan 0.000 0.455 933 T N 0.791 115.349 114.554 0.007 0.000 2.746 933 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 933 T C 1.756 176.533 174.700 0.128 0.000 1.039 933 T CA 2.077 64.261 62.100 0.141 0.000 1.142 933 T CB -0.329 68.629 68.868 0.151 0.000 0.866 933 T HN 0.358 nan 8.240 nan 0.000 0.444 934 L N 0.649 121.953 121.223 0.135 0.000 1.971 934 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 934 L C 2.654 179.626 176.870 0.170 0.000 1.083 934 L CA 1.143 56.096 54.840 0.189 0.000 0.753 934 L CB -1.449 40.794 42.059 0.307 0.000 0.893 934 L HN 0.077 nan 8.230 nan 0.000 0.436 935 V N 0.306 120.377 119.914 0.261 0.000 2.357 935 V HA -0.392 3.728 4.120 -0.000 0.000 0.257 935 V C 2.456 178.561 176.094 0.019 0.000 1.082 935 V CA 2.142 64.527 62.300 0.140 0.000 1.078 935 V CB -0.695 31.237 31.823 0.182 0.000 0.663 935 V HN 0.513 nan 8.190 nan 0.000 0.455 936 A N -1.515 121.336 122.820 0.052 0.000 2.178 936 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 936 A C 1.968 179.565 177.584 0.021 0.000 1.157 936 A CA 1.634 53.705 52.037 0.055 0.000 0.689 936 A CB -0.397 18.688 19.000 0.142 0.000 0.787 936 A HN 0.778 nan 8.150 nan 0.000 0.465 937 Q N -0.925 118.868 119.800 -0.012 0.000 2.319 937 Q HA 0.241 4.581 4.340 -0.000 0.000 0.202 937 Q C 1.184 177.121 176.000 -0.106 0.000 0.896 937 Q CA 0.538 56.311 55.803 -0.049 0.000 0.942 937 Q CB 0.156 28.868 28.738 -0.044 0.000 1.083 937 Q HN 0.983 nan 8.270 nan 0.000 0.510 938 I N -4.130 116.352 120.570 -0.146 0.000 4.338 938 I HA 0.276 4.446 4.170 -0.000 0.000 0.329 938 I C 0.415 176.455 176.117 -0.128 0.000 1.378 938 I CA -0.425 60.762 61.300 -0.189 0.000 1.170 938 I CB 0.843 38.627 38.000 -0.359 0.000 1.206 938 I HN -0.110 nan 8.210 nan 0.000 0.432 939 S N -0.011 115.639 115.700 -0.083 0.000 2.740 939 S HA 0.510 4.980 4.470 -0.000 0.000 0.300 939 S C -0.611 173.976 174.600 -0.021 0.000 1.147 939 S CA -0.714 57.458 58.200 -0.047 0.000 0.871 939 S CB 1.797 64.977 63.200 -0.033 0.000 1.173 939 S HN 0.221 nan 8.310 nan 0.000 0.510 940 E N 1.014 121.209 120.200 -0.008 0.000 1.986 940 E HA 0.412 4.762 4.350 -0.000 0.000 0.264 940 E C -0.854 175.756 176.600 0.017 0.000 1.023 940 E CA -0.198 56.205 56.400 0.004 0.000 0.834 940 E CB 0.969 30.670 29.700 0.002 0.000 1.111 940 E HN 0.481 nan 8.360 nan 0.000 0.417 941 T N 2.038 116.611 114.554 0.032 0.000 2.932 941 T HA 0.179 4.529 4.350 -0.000 0.000 0.289 941 T C 0.495 175.237 174.700 0.071 0.000 1.039 941 T CA -0.659 61.474 62.100 0.054 0.000 1.024 941 T CB 1.536 70.447 68.868 0.071 0.000 1.090 941 T HN 0.346 nan 8.240 nan 0.000 0.496 942 Q N 0.879 120.728 119.800 0.082 0.000 2.242 942 Q HA 0.155 4.495 4.340 -0.000 0.000 0.246 942 Q C -1.072 175.004 176.000 0.127 0.000 0.883 942 Q CA -0.176 55.673 55.803 0.077 0.000 0.984 942 Q CB 0.067 28.838 28.738 0.056 0.000 1.096 942 Q HN 0.497 nan 8.270 nan 0.000 0.452 943 Y N 2.964 123.264 120.300 0.001 0.000 2.327 943 Y HA 0.237 4.787 4.550 -0.000 0.000 0.336 943 Y C -2.107 173.791 175.900 -0.004 0.000 1.035 943 Y CA -3.163 54.939 58.100 0.002 0.000 1.165 943 Y CB 0.920 39.383 38.460 0.005 0.000 1.181 943 Y HN 0.089 nan 8.280 nan 0.000 0.494 944 P HA 0.230 nan 4.420 nan 0.000 0.280 944 P C -1.381 175.639 177.300 -0.466 0.000 1.300 944 P CA 0.139 63.014 63.100 -0.376 0.000 0.785 944 P CB 0.672 32.193 31.700 -0.298 0.000 0.874 945 V N 0.044 119.809 119.914 -0.249 0.000 3.087 945 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 945 V C -0.779 175.211 176.094 -0.173 0.000 1.187 945 V CA -1.063 61.123 62.300 -0.190 0.000 0.999 945 V CB 2.433 34.205 31.823 -0.085 0.000 1.049 945 V HN 0.297 nan 8.190 nan 0.000 0.431 946 D N 3.044 123.303 120.400 -0.234 0.000 2.348 946 D HA 0.285 4.925 4.640 -0.000 0.000 0.253 946 D C -0.233 175.768 176.300 -0.498 0.000 1.161 946 D CA -0.011 53.767 54.000 -0.369 0.000 0.876 946 D CB 1.141 41.631 40.800 -0.516 0.000 1.160 946 D HN 0.571 nan 8.370 nan 0.000 0.459 947 R N 2.663 122.977 120.500 -0.309 0.000 2.215 947 R HA 0.237 4.577 4.340 -0.000 0.000 0.336 947 R C 0.144 176.404 176.300 -0.068 0.000 0.996 947 R CA -0.424 55.566 56.100 -0.184 0.000 0.847 947 R CB 0.773 31.040 30.300 -0.055 0.000 1.127 947 R HN 0.594 nan 8.270 nan 0.000 0.465 948 Y N 1.268 121.625 120.300 0.095 0.000 2.507 948 Y HA 0.148 4.698 4.550 -0.000 0.000 0.263 948 Y C 1.379 177.411 175.900 0.219 0.000 1.093 948 Y CA -0.089 58.111 58.100 0.168 0.000 1.285 948 Y CB 0.779 39.343 38.460 0.173 0.000 1.115 948 Y HN 0.285 nan 8.280 nan 0.000 0.533 949 L N -0.003 121.322 121.223 0.170 0.000 2.928 949 L HA 0.163 4.503 4.340 -0.000 0.000 0.246 949 L C 0.171 176.902 176.870 -0.232 0.000 1.239 949 L CA -0.017 54.743 54.840 -0.134 0.000 1.035 949 L CB 0.037 41.944 42.059 -0.253 0.000 1.360 949 L HN 0.066 nan 8.230 nan 0.000 0.529 950 D N 0.889 121.297 120.400 0.013 0.000 2.350 950 D HA -0.151 4.489 4.640 -0.000 0.000 0.216 950 D C 1.842 178.183 176.300 0.067 0.000 0.968 950 D CA 0.857 54.874 54.000 0.027 0.000 0.894 950 D CB 0.134 40.989 40.800 0.091 0.000 0.909 950 D HN 0.523 nan 8.370 nan 0.000 0.520 951 W N 0.038 121.368 121.300 0.052 0.000 2.905 951 W HA 0.201 4.861 4.660 -0.000 0.000 0.251 951 W C 0.005 176.551 176.519 0.045 0.000 1.305 951 W CA -0.235 57.133 57.345 0.040 0.000 1.465 951 W CB -0.752 28.720 29.460 0.020 0.000 1.122 951 W HN -0.125 nan 8.180 nan 0.000 0.659 952 I N 5.521 125.783 120.570 -0.513 0.000 2.337 952 I HA 0.118 4.288 4.170 -0.000 0.000 0.291 952 I C -1.413 174.640 176.117 -0.107 0.000 1.046 952 I CA -1.956 59.098 61.300 -0.410 0.000 1.324 952 I CB 0.687 38.328 38.000 -0.599 0.000 1.409 952 I HN -0.479 nan 8.210 nan 0.000 0.494 953 P HA -0.050 nan 4.420 nan 0.000 0.266 953 P C -0.450 176.859 177.300 0.015 0.000 1.186 953 P CA 0.221 63.356 63.100 0.057 0.000 0.767 953 P CB 1.158 32.922 31.700 0.108 0.000 0.820 954 S N 1.207 116.894 115.700 -0.021 0.000 2.578 954 S HA 0.434 4.904 4.470 -0.000 0.000 0.285 954 S C -0.539 174.028 174.600 -0.054 0.000 1.126 954 S CA -0.777 57.391 58.200 -0.053 0.000 0.878 954 S CB 0.077 63.231 63.200 -0.077 0.000 1.091 954 S HN 0.333 nan 8.310 nan 0.000 0.450 955 L N 2.147 123.330 121.223 -0.066 0.000 2.540 955 L HA 0.691 5.031 4.340 -0.000 0.000 0.215 955 L C 0.501 177.337 176.870 -0.056 0.000 1.204 955 L CA -0.246 54.562 54.840 -0.054 0.000 0.841 955 L CB -0.060 41.965 42.059 -0.056 0.000 1.420 955 L HN 0.670 nan 8.230 nan 0.000 0.519 956 R N 0.670 121.143 120.500 -0.044 0.000 2.522 956 R HA 0.550 4.890 4.340 -0.000 0.000 0.290 956 R C -0.462 175.812 176.300 -0.043 0.000 1.216 956 R CA -0.456 55.618 56.100 -0.042 0.000 1.250 956 R CB 0.491 30.776 30.300 -0.026 0.000 1.143 956 R HN 0.887 nan 8.270 nan 0.000 0.553 957 A N 2.119 124.901 122.820 -0.062 0.000 2.608 957 A HA -0.044 4.276 4.320 -0.000 0.000 0.239 957 A C 0.703 178.271 177.584 -0.028 0.000 1.018 957 A CA 0.470 52.473 52.037 -0.056 0.000 0.766 957 A CB 0.083 19.029 19.000 -0.090 0.000 0.928 957 A HN 0.724 nan 8.150 nan 0.000 0.512 958 S N 2.136 117.827 115.700 -0.014 0.000 2.693 958 S HA 0.617 5.087 4.470 -0.000 0.000 0.276 958 S C 1.400 176.006 174.600 0.011 0.000 1.192 958 S CA -0.125 58.074 58.200 -0.002 0.000 0.994 958 S CB 1.323 64.523 63.200 0.000 0.000 1.012 958 S HN 1.832 nan 8.310 nan 0.000 0.550 959 A N 1.658 124.487 122.820 0.015 0.000 1.903 959 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 959 A C 2.449 180.055 177.584 0.037 0.000 1.191 959 A CA 2.432 54.484 52.037 0.026 0.000 0.638 959 A CB -1.873 17.140 19.000 0.021 0.000 0.823 959 A HN 1.464 nan 8.150 nan 0.000 0.451 960 A N -1.373 121.465 122.820 0.031 0.000 1.883 960 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 960 A C 2.351 179.967 177.584 0.054 0.000 1.186 960 A CA 2.507 54.567 52.037 0.038 0.000 0.624 960 A CB -1.370 17.647 19.000 0.028 0.000 0.822 960 A HN 0.462 nan 8.150 nan 0.000 0.444 961 T N 0.138 114.717 114.554 0.043 0.000 2.674 961 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 961 T C 2.287 177.041 174.700 0.090 0.000 1.039 961 T CA 1.750 63.880 62.100 0.050 0.000 1.150 961 T CB -0.593 68.281 68.868 0.011 0.000 0.864 961 T HN 0.627 nan 8.240 nan 0.000 0.427 962 A N 1.711 124.574 122.820 0.071 0.000 1.892 962 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 962 A C 2.634 180.341 177.584 0.206 0.000 1.188 962 A CA 2.278 54.388 52.037 0.122 0.000 0.631 962 A CB -1.331 17.715 19.000 0.076 0.000 0.822 962 A HN 0.534 nan 8.150 nan 0.000 0.447 963 A N -0.316 122.586 122.820 0.137 0.000 1.859 963 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 963 A C 2.558 180.240 177.584 0.163 0.000 1.209 963 A CA 3.494 55.606 52.037 0.125 0.000 0.639 963 A CB -1.783 17.265 19.000 0.080 0.000 0.835 963 A HN 1.052 nan 8.150 nan 0.000 0.450 964 T N -2.890 111.769 114.554 0.175 0.000 2.737 964 T HA -0.252 4.098 4.350 -0.000 0.000 0.269 964 T C 1.685 176.598 174.700 0.354 0.000 1.040 964 T CA 1.904 64.142 62.100 0.231 0.000 1.142 964 T CB -0.628 68.372 68.868 0.219 0.000 0.861 964 T HN 0.448 nan 8.240 nan 0.000 0.456 965 F N 3.047 123.090 119.950 0.155 0.000 2.046 965 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 965 F C 2.710 178.643 175.800 0.222 0.000 1.123 965 F CA 1.238 59.324 58.000 0.144 0.000 1.199 965 F CB -1.207 37.832 39.000 0.064 0.000 0.972 965 F HN 0.297 nan 8.300 nan 0.000 0.474 966 A N 0.108 123.004 122.820 0.127 0.000 1.903 966 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 966 A C 2.091 179.667 177.584 -0.014 0.000 1.191 966 A CA 2.167 54.197 52.037 -0.012 0.000 0.638 966 A CB -1.285 17.764 19.000 0.082 0.000 0.823 966 A HN 0.539 nan 8.150 nan 0.000 0.451 967 E N -0.896 119.337 120.200 0.056 0.000 2.187 967 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 967 E C 1.546 178.115 176.600 -0.051 0.000 1.004 967 E CA 1.850 58.244 56.400 -0.009 0.000 0.813 967 E CB -0.427 29.255 29.700 -0.030 0.000 0.736 967 E HN 0.765 nan 8.360 nan 0.000 0.468 968 W N -0.532 120.703 121.300 -0.108 0.000 2.441 968 W HA -0.002 4.658 4.660 -0.000 0.000 0.302 968 W C 2.358 178.872 176.519 -0.008 0.000 1.191 968 W CA 0.967 58.274 57.345 -0.063 0.000 1.327 968 W CB -0.802 28.555 29.460 -0.172 0.000 1.128 968 W HN -0.113 nan 8.180 nan 0.000 0.522 969 V N 1.072 121.030 119.914 0.073 0.000 2.546 969 V HA -0.339 3.781 4.120 -0.000 0.000 0.254 969 V C 1.921 178.002 176.094 -0.021 0.000 1.076 969 V CA 2.186 64.445 62.300 -0.068 0.000 1.087 969 V CB -1.119 30.546 31.823 -0.264 0.000 0.674 969 V HN 0.273 nan 8.190 nan 0.000 0.470 970 N N 0.665 119.356 118.700 -0.015 0.000 2.124 970 N HA -0.153 4.587 4.740 -0.000 0.000 0.189 970 N C 2.116 177.618 175.510 -0.014 0.000 1.050 970 N CA 2.267 55.305 53.050 -0.021 0.000 0.848 970 N CB -0.560 37.905 38.487 -0.038 0.000 1.027 970 N HN 0.514 nan 8.380 nan 0.000 0.435 971 T N -2.370 112.155 114.554 -0.047 0.000 2.737 971 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 971 T C 2.086 176.782 174.700 -0.007 0.000 1.040 971 T CA 1.772 63.835 62.100 -0.062 0.000 1.142 971 T CB -0.820 67.948 68.868 -0.166 0.000 0.861 971 T HN 0.072 nan 8.240 nan 0.000 0.456 972 S N 1.063 116.794 115.700 0.051 0.000 2.368 972 S HA 0.058 4.528 4.470 -0.000 0.000 0.225 972 S C 2.104 176.719 174.600 0.024 0.000 1.030 972 S CA 1.506 59.744 58.200 0.064 0.000 0.999 972 S CB -0.436 62.822 63.200 0.096 0.000 0.844 972 S HN 0.499 nan 8.310 nan 0.000 0.459 973 M N 0.915 120.540 119.600 0.043 0.000 2.132 973 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 973 M C 2.088 178.491 176.300 0.171 0.000 1.065 973 M CA 1.246 56.615 55.300 0.116 0.000 1.122 973 M CB -0.480 32.192 32.600 0.120 0.000 1.365 973 M HN 0.213 nan 8.290 nan 0.000 0.411 974 K N 0.127 120.583 120.400 0.094 0.000 2.002 974 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 974 K C 2.012 178.668 176.600 0.092 0.000 1.048 974 K CA 2.085 58.427 56.287 0.091 0.000 0.930 974 K CB -0.693 31.826 32.500 0.031 0.000 0.714 974 K HN 0.454 nan 8.250 nan 0.000 0.438 975 T N -0.906 113.675 114.554 0.045 0.000 3.007 975 T HA -0.001 4.349 4.350 -0.000 0.000 0.270 975 T C 1.980 176.694 174.700 0.023 0.000 1.107 975 T CA 0.966 63.086 62.100 0.033 0.000 1.118 975 T CB -0.066 68.803 68.868 0.002 0.000 0.889 975 T HN 0.180 nan 8.240 nan 0.000 0.506 976 A N 0.383 123.190 122.820 -0.022 0.000 1.970 976 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 976 A C 1.564 178.990 177.584 -0.264 0.000 1.170 976 A CA 0.363 52.288 52.037 -0.187 0.000 0.645 976 A CB -0.582 18.219 19.000 -0.333 0.000 0.816 976 A HN 0.563 nan 8.150 nan 0.000 0.447 977 F N -0.724 119.238 119.950 0.020 0.000 2.664 977 F HA 0.207 4.734 4.527 0.000 0.000 0.303 977 F C 0.423 176.223 175.800 0.000 0.000 1.092 977 F CA 0.155 58.152 58.000 -0.004 0.000 1.305 977 F CB 0.395 39.375 39.000 -0.033 0.000 1.054 977 F HN 0.195 nan 8.300 nan 0.000 0.565 978 D N 1.369 121.893 120.400 0.206 0.000 2.800 978 D HA -0.195 4.445 4.640 -0.000 0.000 0.232 978 D C -0.390 175.971 176.300 0.100 0.000 1.137 978 D CA 0.463 54.566 54.000 0.172 0.000 0.718 978 D CB -1.091 39.796 40.800 0.145 0.000 1.084 978 D HN 0.175 nan 8.370 nan 0.000 0.432 979 L N 0.137 121.420 121.223 0.100 0.000 2.334 979 L HA 0.409 4.749 4.340 -0.000 0.000 0.277 979 L C 1.631 178.522 176.870 0.034 0.000 1.075 979 L CA 0.279 55.152 54.840 0.055 0.000 0.804 979 L CB 1.522 43.611 42.059 0.049 0.000 1.174 979 L HN 0.162 nan 8.230 nan 0.000 0.438 980 S N -1.837 113.873 115.700 0.016 0.000 2.632 980 S HA 0.228 4.698 4.470 -0.000 0.000 0.237 980 S C 0.160 174.754 174.600 -0.009 0.000 1.037 980 S CA -0.571 57.632 58.200 0.005 0.000 1.009 980 S CB 0.361 63.567 63.200 0.010 0.000 0.974 980 S HN 0.553 nan 8.310 nan 0.000 0.544 981 D N 1.323 121.715 120.400 -0.013 0.000 2.509 981 D HA 0.337 4.977 4.640 -0.000 0.000 0.275 981 D C 0.224 176.503 176.300 -0.036 0.000 1.189 981 D CA -0.786 53.198 54.000 -0.027 0.000 1.098 981 D CB 0.225 41.007 40.800 -0.030 0.000 1.177 981 D HN 0.225 nan 8.370 nan 0.000 0.599 982 M N 0.394 119.966 119.600 -0.048 0.000 2.167 982 M HA 0.353 4.833 4.480 -0.000 0.000 0.300 982 M C -1.171 175.098 176.300 -0.051 0.000 1.171 982 M CA -0.028 55.239 55.300 -0.055 0.000 1.171 982 M CB 0.501 33.058 32.600 -0.070 0.000 1.396 982 M HN 0.326 nan 8.290 nan 0.000 0.466 983 L N 4.404 125.596 121.223 -0.051 0.000 4.846 983 L HA 0.131 4.471 4.340 -0.000 0.000 0.248 983 L C -0.554 176.290 176.870 -0.043 0.000 1.110 983 L CA -0.037 54.774 54.840 -0.048 0.000 1.271 983 L CB -0.094 41.941 42.059 -0.041 0.000 1.907 983 L HN 1.021 nan 8.230 nan 0.000 0.624 984 L N 2.217 123.413 121.223 -0.045 0.000 4.549 984 L HA -0.334 4.006 4.340 -0.000 0.000 0.390 984 L C 1.743 178.591 176.870 -0.036 0.000 0.767 984 L CA 1.368 56.186 54.840 -0.037 0.000 2.397 984 L CB -1.116 40.924 42.059 -0.030 0.000 1.175 984 L HN 0.818 nan 8.230 nan 0.000 0.633 985 E N 1.047 121.223 120.200 -0.041 0.000 2.082 985 E HA -0.232 4.118 4.350 -0.000 0.000 0.215 985 E C -0.641 175.937 176.600 -0.037 0.000 1.048 985 E CA 1.975 58.351 56.400 -0.040 0.000 0.869 985 E CB -1.589 28.082 29.700 -0.048 0.000 0.773 985 E HN 0.557 nan 8.360 nan 0.000 0.466 986 P HA -0.152 nan 4.420 nan 0.000 0.218 986 P C 1.739 179.021 177.300 -0.030 0.000 1.146 986 P CA 1.268 64.343 63.100 -0.042 0.000 0.820 986 P CB -0.169 31.498 31.700 -0.055 0.000 0.778 987 L N -1.257 119.950 121.223 -0.027 0.000 2.395 987 L HA 0.029 4.369 4.340 -0.000 0.000 0.218 987 L C 1.950 178.817 176.870 -0.006 0.000 1.130 987 L CA 0.484 55.313 54.840 -0.017 0.000 0.826 987 L CB -0.436 41.612 42.059 -0.019 0.000 0.941 987 L HN -0.064 nan 8.230 nan 0.000 0.451 988 L N -0.342 120.877 121.223 -0.007 0.000 2.805 988 L HA 0.081 4.421 4.340 -0.000 0.000 0.237 988 L C 1.338 178.210 176.870 0.004 0.000 1.252 988 L CA -0.003 54.840 54.840 0.005 0.000 1.064 988 L CB -0.351 41.711 42.059 0.004 0.000 1.361 988 L HN 0.179 nan 8.230 nan 0.000 0.474 989 S N -0.980 114.719 115.700 -0.001 0.000 2.574 989 S HA 0.488 4.958 4.470 -0.000 0.000 0.242 989 S C 0.575 175.177 174.600 0.004 0.000 0.982 989 S CA -0.048 58.151 58.200 -0.001 0.000 0.977 989 S CB 0.597 63.792 63.200 -0.009 0.000 0.814 989 S HN 0.418 nan 8.310 nan 0.000 0.464 990 G N 0.881 109.688 108.800 0.010 0.000 2.151 990 G HA2 0.298 4.258 3.960 -0.000 0.000 0.183 990 G HA3 0.298 4.258 3.960 -0.000 0.000 0.183 990 G C -0.863 174.046 174.900 0.015 0.000 1.472 990 G CA -0.537 44.570 45.100 0.013 0.000 1.060 990 G HN 0.249 nan 8.290 nan 0.000 0.641 991 D N 2.054 122.466 120.400 0.020 0.000 3.400 991 D HA -0.127 4.513 4.640 -0.000 0.000 0.226 991 D C -0.573 175.740 176.300 0.022 0.000 1.152 991 D CA 0.963 54.976 54.000 0.022 0.000 1.008 991 D CB 0.477 41.287 40.800 0.016 0.000 0.866 991 D HN 0.361 nan 8.370 nan 0.000 0.402 992 P HA -0.048 nan 4.420 nan 0.000 0.245 992 P C 0.197 177.517 177.300 0.032 0.000 1.212 992 P CA 0.075 63.195 63.100 0.032 0.000 0.774 992 P CB 0.130 31.861 31.700 0.052 0.000 0.999 993 R N 1.411 121.929 120.500 0.030 0.000 3.641 993 R HA 0.223 4.563 4.340 -0.000 0.000 0.189 993 R C 1.082 177.385 176.300 0.006 0.000 1.706 993 R CA 0.073 56.186 56.100 0.022 0.000 1.311 993 R CB -0.719 29.593 30.300 0.020 0.000 1.330 993 R HN 0.375 nan 8.270 nan 0.000 0.727 994 M N -2.059 117.534 119.600 -0.011 0.000 2.649 994 M HA 0.458 4.938 4.480 -0.000 0.000 0.294 994 M C -0.079 176.175 176.300 -0.076 0.000 1.206 994 M CA -0.505 54.776 55.300 -0.031 0.000 0.928 994 M CB 1.728 34.307 32.600 -0.034 0.000 1.571 994 M HN -0.067 nan 8.290 nan 0.000 0.501 995 T N -1.704 112.804 114.554 -0.076 0.000 3.125 995 T HA 0.198 4.548 4.350 -0.000 0.000 0.252 995 T C 0.030 174.641 174.700 -0.147 0.000 0.981 995 T CA -0.017 62.010 62.100 -0.122 0.000 1.069 995 T CB 0.425 69.300 68.868 0.011 0.000 1.091 995 T HN 0.769 nan 8.240 nan 0.000 0.460 996 Q N 0.192 119.954 119.800 -0.062 0.000 2.403 996 Q HA 0.441 4.781 4.340 -0.000 0.000 0.267 996 Q C -2.011 173.979 176.000 -0.017 0.000 0.991 996 Q CA -0.488 55.290 55.803 -0.042 0.000 0.906 996 Q CB 1.472 30.210 28.738 -0.000 0.000 1.422 996 Q HN 0.247 nan 8.270 nan 0.000 0.400 997 L N 2.169 123.380 121.223 -0.019 0.000 2.417 997 L HA 0.832 5.172 4.340 -0.000 0.000 0.268 997 L C -0.210 176.664 176.870 0.006 0.000 1.158 997 L CA -0.049 54.785 54.840 -0.009 0.000 0.819 997 L CB 1.280 43.327 42.059 -0.020 0.000 1.112 997 L HN 0.810 nan 8.230 nan 0.000 0.458 998 A N 4.391 127.221 122.820 0.017 0.000 2.594 998 A HA 0.689 5.009 4.320 -0.000 0.000 0.296 998 A C -1.567 176.053 177.584 0.059 0.000 1.061 998 A CA -0.422 51.638 52.037 0.037 0.000 0.689 998 A CB 1.469 20.499 19.000 0.050 0.000 1.280 998 A HN 0.646 nan 8.150 nan 0.000 0.406 999 I N 1.120 121.740 120.570 0.084 0.000 2.730 999 I HA 0.712 4.882 4.170 -0.000 0.000 0.298 999 I C -1.228 175.096 176.117 0.344 0.000 1.089 999 I CA -0.472 60.922 61.300 0.158 0.000 1.041 999 I CB 2.047 40.093 38.000 0.077 0.000 1.235 999 I HN 0.947 nan 8.210 nan 0.000 0.423 1000 Q N 5.808 125.895 119.800 0.479 0.000 2.590 1000 Q HA 0.380 4.720 4.340 -0.000 0.000 0.295 1000 Q C -2.066 174.214 176.000 0.466 0.000 0.973 1000 Q CA -0.707 55.441 55.803 0.576 0.000 0.768 1000 Q CB 2.429 31.322 28.738 0.258 0.000 1.479 1000 Q HN 0.681 nan 8.270 nan 0.000 0.419 1001 Y N -1.233 119.098 120.300 0.052 0.000 2.562 1001 Y HA 0.661 5.211 4.550 -0.000 0.000 0.345 1001 Y C -1.286 174.580 175.900 -0.056 0.000 1.045 1001 Y CA -0.873 57.186 58.100 -0.067 0.000 1.028 1001 Y CB 1.725 39.989 38.460 -0.326 0.000 1.297 1001 Y HN 0.866 nan 8.280 nan 0.000 0.463 1002 Q N 2.192 122.014 119.800 0.037 0.000 2.351 1002 Q HA 0.614 4.954 4.340 -0.000 0.000 0.273 1002 Q C -1.389 174.652 176.000 0.067 0.000 1.077 1002 Q CA -1.050 54.692 55.803 -0.101 0.000 0.843 1002 Q CB 2.741 31.434 28.738 -0.074 0.000 1.367 1002 Q HN 0.836 nan 8.270 nan 0.000 0.449 1003 Q N 0.441 120.226 119.800 -0.024 0.000 2.204 1003 Q HA 0.116 4.456 4.340 -0.000 0.000 0.254 1003 Q C -0.209 175.811 176.000 0.033 0.000 0.981 1003 Q CA -0.636 55.210 55.803 0.072 0.000 0.897 1003 Q CB 0.777 29.546 28.738 0.053 0.000 1.273 1003 Q HN 0.787 nan 8.270 nan 0.000 0.464 1004 Y N 2.449 122.720 120.300 -0.049 0.000 2.256 1004 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 1004 Y C 1.625 177.480 175.900 -0.075 0.000 1.155 1004 Y CA 2.201 60.256 58.100 -0.074 0.000 1.203 1004 Y CB 0.010 38.388 38.460 -0.136 0.000 0.980 1004 Y HN 0.720 nan 8.280 nan 0.000 0.530 1005 N N -0.264 118.275 118.700 -0.268 0.000 2.449 1005 N HA 0.077 4.817 4.740 -0.000 0.000 0.191 1005 N C 1.570 176.920 175.510 -0.266 0.000 1.161 1005 N CA 1.051 53.903 53.050 -0.330 0.000 0.863 1005 N CB -0.324 38.066 38.487 -0.162 0.000 0.980 1005 N HN 0.534 nan 8.380 nan 0.000 0.458 1006 G N 0.184 108.840 108.800 -0.239 0.000 2.241 1006 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.244 1006 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.244 1006 G C 0.149 174.921 174.900 -0.213 0.000 0.998 1006 G CA 0.188 45.167 45.100 -0.202 0.000 0.621 1006 G HN 0.634 nan 8.290 nan 0.000 0.519 1007 R N 1.684 122.036 120.500 -0.246 0.000 2.594 1007 R HA 0.512 4.852 4.340 -0.000 0.000 0.272 1007 R C 0.591 176.588 176.300 -0.505 0.000 1.074 1007 R CA 0.939 56.827 56.100 -0.354 0.000 1.105 1007 R CB 0.311 30.390 30.300 -0.368 0.000 1.008 1007 R HN 0.462 nan 8.270 nan 0.000 0.472 1008 T N -0.052 114.127 114.554 -0.625 0.000 2.906 1008 T HA 0.527 4.877 4.350 -0.000 0.000 0.295 1008 T C -0.748 173.398 174.700 -0.923 0.000 1.075 1008 T CA -0.767 60.923 62.100 -0.683 0.000 1.005 1008 T CB 1.138 69.798 68.868 -0.347 0.000 1.136 1008 T HN 0.351 nan 8.240 nan 0.000 0.498 1009 F N 1.778 121.460 119.950 -0.446 0.000 2.460 1009 F HA 0.496 5.023 4.527 -0.000 0.000 0.341 1009 F C 0.359 176.133 175.800 -0.044 0.000 1.130 1009 F CA -0.979 56.855 58.000 -0.277 0.000 0.962 1009 F CB 1.680 40.427 39.000 -0.422 0.000 1.171 1009 F HN 0.517 nan 8.300 nan 0.000 0.436 1010 N N 2.827 121.635 118.700 0.180 0.000 2.408 1010 N HA 0.433 5.173 4.740 -0.000 0.000 0.280 1010 N C -1.448 174.197 175.510 0.226 0.000 1.002 1010 N CA -0.230 52.937 53.050 0.196 0.000 0.907 1010 N CB 1.841 40.384 38.487 0.093 0.000 1.161 1010 N HN 0.325 nan 8.380 nan 0.000 0.488 1011 V N 5.655 125.717 119.914 0.246 0.000 2.334 1011 V HA 0.442 4.562 4.120 -0.000 0.000 0.281 1011 V C 0.225 176.371 176.094 0.086 0.000 1.016 1011 V CA -0.571 61.822 62.300 0.155 0.000 0.832 1011 V CB 0.876 32.757 31.823 0.097 0.000 0.999 1011 V HN 0.520 nan 8.190 nan 0.000 0.439 1012 I N 7.680 128.292 120.570 0.070 0.000 2.460 1012 I HA 0.316 4.486 4.170 -0.000 0.000 0.277 1012 I C -1.931 174.208 176.117 0.037 0.000 1.057 1012 I CA -1.677 59.653 61.300 0.050 0.000 1.179 1012 I CB 1.669 39.700 38.000 0.052 0.000 1.329 1012 I HN 0.452 nan 8.210 nan 0.000 0.478 1013 P HA -0.034 nan 4.420 nan 0.000 0.262 1013 P C -0.254 177.061 177.300 0.025 0.000 1.182 1013 P CA 0.017 63.128 63.100 0.018 0.000 0.761 1013 P CB 0.924 32.627 31.700 0.004 0.000 0.795 1014 E N 3.697 123.914 120.200 0.027 0.000 1.791 1014 E HA 0.105 4.455 4.350 -0.000 0.000 0.263 1014 E C 0.379 176.998 176.600 0.031 0.000 1.213 1014 E CA -0.021 56.398 56.400 0.032 0.000 0.991 1014 E CB -0.064 29.654 29.700 0.030 0.000 1.068 1014 E HN 0.448 nan 8.360 nan 0.000 0.417 1015 M N 5.080 124.701 119.600 0.036 0.000 2.269 1015 M HA 0.058 4.538 4.480 -0.000 0.000 0.350 1015 M C -1.438 174.889 176.300 0.044 0.000 1.429 1015 M CA -0.792 54.529 55.300 0.036 0.000 1.063 1015 M CB -0.032 32.591 32.600 0.039 0.000 1.841 1015 M HN 0.154 nan 8.290 nan 0.000 0.455 1016 P HA 0.338 nan 4.420 nan 0.000 0.333 1016 P C 0.154 177.483 177.300 0.047 0.000 1.315 1016 P CA -0.343 62.779 63.100 0.037 0.000 0.746 1016 P CB 0.232 31.948 31.700 0.026 0.000 1.575 1017 G N -0.873 107.955 108.800 0.046 0.000 2.570 1017 G HA2 0.388 4.348 3.960 -0.000 0.000 0.276 1017 G HA3 0.388 4.348 3.960 -0.000 0.000 0.276 1017 G C -0.705 174.232 174.900 0.062 0.000 1.346 1017 G CA -0.159 44.976 45.100 0.058 0.000 1.034 1017 G HN 0.584 nan 8.290 nan 0.000 0.512 1018 S N -1.366 114.380 115.700 0.077 0.000 2.461 1018 S HA 0.236 4.706 4.470 -0.000 0.000 0.245 1018 S C 0.933 175.603 174.600 0.116 0.000 1.039 1018 S CA -0.073 58.180 58.200 0.088 0.000 1.077 1018 S CB 0.723 63.973 63.200 0.084 0.000 1.171 1018 S HN 1.157 nan 8.310 nan 0.000 0.433 1019 V N 4.690 124.692 119.914 0.146 0.000 2.252 1019 V HA -0.147 3.973 4.120 -0.000 0.000 0.249 1019 V C 2.196 178.400 176.094 0.184 0.000 1.056 1019 V CA 1.973 64.389 62.300 0.193 0.000 1.022 1019 V CB -1.428 30.582 31.823 0.311 0.000 0.641 1019 V HN 0.876 nan 8.190 nan 0.000 0.445 1020 I N 1.262 121.941 120.570 0.182 0.000 2.127 1020 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 1020 I C 3.013 179.194 176.117 0.107 0.000 1.075 1020 I CA 1.957 63.332 61.300 0.125 0.000 1.334 1020 I CB -0.907 37.163 38.000 0.116 0.000 1.040 1020 I HN 0.404 nan 8.210 nan 0.000 0.405 1021 A N 0.827 123.710 122.820 0.106 0.000 1.865 1021 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 1021 A C 1.995 179.647 177.584 0.113 0.000 1.191 1021 A CA 2.280 54.378 52.037 0.102 0.000 0.623 1021 A CB -0.713 18.349 19.000 0.102 0.000 0.826 1021 A HN 0.400 nan 8.150 nan 0.000 0.444 1022 D N -0.410 120.062 120.400 0.120 0.000 2.097 1022 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 1022 D C 2.118 178.502 176.300 0.140 0.000 0.989 1022 D CA 1.536 55.612 54.000 0.126 0.000 0.827 1022 D CB -0.713 40.160 40.800 0.122 0.000 0.966 1022 D HN 0.452 nan 8.370 nan 0.000 0.456 1023 C N 0.579 119.963 119.300 0.140 0.000 2.413 1023 C HA -0.102 4.358 4.460 -0.000 0.000 0.276 1023 C C 2.996 178.079 174.990 0.155 0.000 1.248 1023 C CA 0.203 59.311 59.018 0.151 0.000 1.742 1023 C CB -0.880 26.943 27.740 0.138 0.000 2.017 1023 C HN 0.170 nan 8.230 nan 0.000 0.481 1024 V N 0.582 120.575 119.914 0.130 0.000 2.252 1024 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 1024 V C 2.678 178.851 176.094 0.132 0.000 1.056 1024 V CA 1.948 64.319 62.300 0.118 0.000 1.022 1024 V CB -0.755 31.122 31.823 0.089 0.000 0.641 1024 V HN 0.567 nan 8.190 nan 0.000 0.445 1025 Q N -0.916 118.972 119.800 0.145 0.000 2.084 1025 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 1025 Q C 2.268 178.424 176.000 0.258 0.000 0.978 1025 Q CA 1.663 57.584 55.803 0.196 0.000 0.844 1025 Q CB -0.637 28.200 28.738 0.166 0.000 0.898 1025 Q HN 0.569 nan 8.270 nan 0.000 0.426 1026 L N 1.154 122.502 121.223 0.208 0.000 1.971 1026 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 1026 L C 2.535 179.510 176.870 0.175 0.000 1.072 1026 L CA 2.888 57.841 54.840 0.189 0.000 0.758 1026 L CB -1.533 40.627 42.059 0.168 0.000 0.889 1026 L HN 0.383 nan 8.230 nan 0.000 0.433 1027 T N -1.965 112.697 114.554 0.180 0.000 2.803 1027 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 1027 T C 1.867 176.630 174.700 0.104 0.000 1.052 1027 T CA 1.560 63.751 62.100 0.151 0.000 1.136 1027 T CB -0.766 68.192 68.868 0.150 0.000 0.864 1027 T HN 0.479 nan 8.240 nan 0.000 0.467 1028 A N 1.110 124.007 122.820 0.128 0.000 1.930 1028 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 1028 A C 2.305 180.034 177.584 0.242 0.000 1.175 1028 A CA 1.748 53.871 52.037 0.145 0.000 0.627 1028 A CB -0.834 18.271 19.000 0.174 0.000 0.815 1028 A HN 0.738 nan 8.150 nan 0.000 0.443 1029 E N -0.243 120.063 120.200 0.177 0.000 2.110 1029 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 1029 E C 1.789 178.398 176.600 0.016 0.000 0.988 1029 E CA 1.317 57.609 56.400 -0.181 0.000 0.804 1029 E CB -0.051 29.450 29.700 -0.331 0.000 0.745 1029 E HN 0.366 nan 8.360 nan 0.000 0.458 1030 V N 0.643 120.615 119.914 0.096 0.000 2.453 1030 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 1030 V C 1.977 178.175 176.094 0.173 0.000 1.048 1030 V CA 1.516 63.889 62.300 0.121 0.000 1.049 1030 V CB -0.577 31.327 31.823 0.135 0.000 0.672 1030 V HN 0.336 nan 8.190 nan 0.000 0.457 1031 F N 1.638 121.576 119.950 -0.020 0.000 2.154 1031 F HA -0.250 4.277 4.527 -0.000 0.000 0.301 1031 F C 2.117 178.020 175.800 0.172 0.000 1.087 1031 F CA 2.124 60.069 58.000 -0.090 0.000 1.274 1031 F CB -0.430 38.433 39.000 -0.228 0.000 1.009 1031 F HN 0.204 nan 8.300 nan 0.000 0.485 1032 N N -1.813 117.139 118.700 0.419 0.000 2.635 1032 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 1032 N C 0.779 176.233 175.510 -0.093 0.000 1.155 1032 N CA 0.743 54.004 53.050 0.351 0.000 0.927 1032 N CB -0.020 38.614 38.487 0.244 0.000 0.976 1032 N HN 0.443 nan 8.380 nan 0.000 0.448 1033 H N -1.300 117.697 119.070 -0.123 0.000 2.312 1033 H HA 0.211 4.767 4.556 -0.000 0.000 0.215 1033 H C 0.482 175.439 175.328 -0.619 0.000 0.870 1033 H CA -0.037 55.791 56.048 -0.367 0.000 0.982 1033 H CB 0.292 29.930 29.762 -0.207 0.000 1.330 1033 H HN 0.061 nan 8.280 nan 0.000 0.399 1034 E N 2.218 122.294 120.200 -0.206 0.000 2.359 1034 E HA -0.034 4.316 4.350 -0.000 0.000 0.187 1034 E C 0.606 177.099 176.600 -0.180 0.000 1.081 1034 E CA -0.041 56.253 56.400 -0.177 0.000 0.929 1034 E CB -0.295 29.426 29.700 0.036 0.000 1.086 1034 E HN 0.677 nan 8.360 nan 0.000 0.462 1035 Y N -0.015 120.126 120.300 -0.266 0.000 2.241 1035 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 1035 Y C 1.416 177.206 175.900 -0.183 0.000 1.166 1035 Y CA 1.103 58.865 58.100 -0.564 0.000 1.203 1035 Y CB -1.409 36.809 38.460 -0.403 0.000 0.977 1035 Y HN 0.067 nan 8.280 nan 0.000 0.529 1036 N N 0.825 119.660 118.700 0.225 0.000 2.188 1036 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 1036 N C 1.617 177.268 175.510 0.235 0.000 1.018 1036 N CA 1.236 54.430 53.050 0.241 0.000 0.858 1036 N CB -0.302 38.225 38.487 0.068 0.000 0.989 1036 N HN 0.319 nan 8.380 nan 0.000 0.426 1037 L N -0.162 121.170 121.223 0.182 0.000 2.261 1037 L HA -0.140 4.200 4.340 -0.000 0.000 0.216 1037 L C 0.759 177.687 176.870 0.098 0.000 1.114 1037 L CA 0.991 55.916 54.840 0.142 0.000 0.777 1037 L CB -0.383 41.743 42.059 0.112 0.000 0.910 1037 L HN 0.198 nan 8.230 nan 0.000 0.440 1038 F N -0.192 119.838 119.950 0.132 0.000 2.645 1038 F HA 0.289 4.816 4.527 -0.000 0.000 0.300 1038 F C 1.694 177.633 175.800 0.232 0.000 1.115 1038 F CA 0.334 58.453 58.000 0.199 0.000 1.355 1038 F CB -0.117 39.067 39.000 0.306 0.000 1.026 1038 F HN 0.129 nan 8.300 nan 0.000 0.536 1039 G N 0.514 109.475 108.800 0.267 0.000 2.143 1039 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.249 1039 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.249 1039 G C 0.065 174.995 174.900 0.051 0.000 0.981 1039 G CA -0.177 44.966 45.100 0.071 0.000 0.665 1039 G HN 0.150 nan 8.290 nan 0.000 0.528 1040 I N 0.787 121.485 120.570 0.214 0.000 2.493 1040 I HA 0.753 4.923 4.170 -0.000 0.000 0.298 1040 I C 0.481 176.633 176.117 0.058 0.000 0.998 1040 I CA -0.959 60.364 61.300 0.039 0.000 1.137 1040 I CB 1.577 39.587 38.000 0.017 0.000 1.310 1040 I HN 0.345 nan 8.210 nan 0.000 0.445 1041 A N 6.815 129.478 122.820 -0.261 0.000 2.337 1041 A HA 0.730 5.050 4.320 -0.000 0.000 0.329 1041 A C -0.119 177.034 177.584 -0.719 0.000 1.146 1041 A CA -0.692 50.992 52.037 -0.588 0.000 0.800 1041 A CB 1.477 19.929 19.000 -0.912 0.000 1.220 1041 A HN 0.775 nan 8.150 nan 0.000 0.472 1042 R N 1.300 121.393 120.500 -0.677 0.000 2.596 1042 R HA 0.630 4.970 4.340 -0.000 0.000 0.267 1042 R C 0.623 176.777 176.300 -0.244 0.000 1.026 1042 R CA 0.832 56.615 56.100 -0.529 0.000 1.087 1042 R CB 1.070 30.687 30.300 -1.137 0.000 1.132 1042 R HN 2.009 nan 8.270 nan 0.000 0.531 1043 G N 1.661 110.422 108.800 -0.064 0.000 2.508 1043 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 1043 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 1043 G C -1.244 173.784 174.900 0.214 0.000 1.287 1043 G CA -0.091 45.038 45.100 0.048 0.000 0.916 1043 G HN 0.658 nan 8.290 nan 0.000 0.574 1044 D N -0.415 120.084 120.400 0.165 0.000 2.689 1044 D HA 0.759 5.399 4.640 -0.000 0.000 0.255 1044 D C 0.565 176.906 176.300 0.068 0.000 1.113 1044 D CA 0.363 54.444 54.000 0.135 0.000 1.115 1044 D CB 1.693 42.530 40.800 0.061 0.000 1.334 1044 D HN 1.009 nan 8.370 nan 0.000 0.621 1045 I N -3.023 117.505 120.570 -0.069 0.000 3.145 1045 I HA 0.614 4.784 4.170 -0.000 0.000 0.313 1045 I C -1.152 174.873 176.117 -0.152 0.000 1.122 1045 I CA -0.977 60.237 61.300 -0.144 0.000 0.987 1045 I CB 2.525 40.306 38.000 -0.364 0.000 1.236 1045 I HN 0.153 nan 8.210 nan 0.000 0.453 1046 I N 3.579 124.053 120.570 -0.159 0.000 2.500 1046 I HA 0.405 4.575 4.170 -0.000 0.000 0.286 1046 I C -0.789 175.265 176.117 -0.105 0.000 1.063 1046 I CA -0.418 60.794 61.300 -0.146 0.000 1.062 1046 I CB 2.146 40.028 38.000 -0.197 0.000 1.223 1046 I HN 0.445 nan 8.210 nan 0.000 0.435 1047 I N 5.736 126.257 120.570 -0.082 0.000 2.325 1047 I HA 0.606 4.776 4.170 -0.000 0.000 0.291 1047 I C 0.532 176.684 176.117 0.058 0.000 1.019 1047 I CA -0.019 61.264 61.300 -0.028 0.000 1.302 1047 I CB 1.249 39.216 38.000 -0.055 0.000 1.401 1047 I HN 0.713 nan 8.210 nan 0.000 0.485 1048 G N 5.489 114.361 108.800 0.121 0.000 2.498 1048 G HA2 0.212 4.172 3.960 -0.000 0.000 0.301 1048 G HA3 0.212 4.172 3.960 -0.000 0.000 0.301 1048 G C -1.305 173.587 174.900 -0.015 0.000 1.577 1048 G CA -0.928 44.237 45.100 0.108 0.000 0.868 1048 G HN 0.566 nan 8.290 nan 0.000 0.599 1049 R N 0.361 120.789 120.500 -0.121 0.000 2.570 1049 R HA 0.433 4.773 4.340 -0.000 0.000 0.277 1049 R C -0.728 175.410 176.300 -0.270 0.000 1.039 1049 R CA 0.131 55.919 56.100 -0.519 0.000 1.065 1049 R CB 0.591 30.674 30.300 -0.360 0.000 0.964 1049 R HN 0.324 nan 8.270 nan 0.000 0.428 1050 V N 5.314 125.047 119.914 -0.303 0.000 2.595 1050 V HA 0.105 4.225 4.120 -0.000 0.000 0.269 1050 V C -0.732 175.286 176.094 -0.128 0.000 0.982 1050 V CA -0.570 61.670 62.300 -0.101 0.000 0.873 1050 V CB 1.141 32.995 31.823 0.052 0.000 1.051 1050 V HN 0.769 nan 8.190 nan 0.000 0.466 1051 Q N 2.594 122.323 119.800 -0.117 0.000 2.331 1051 Q HA 0.747 5.087 4.340 -0.000 0.000 0.257 1051 Q C -0.355 175.589 176.000 -0.093 0.000 0.957 1051 Q CA 0.127 55.859 55.803 -0.119 0.000 0.923 1051 Q CB 1.592 30.274 28.738 -0.093 0.000 1.212 1051 Q HN 0.800 nan 8.270 nan 0.000 0.443 1052 S N 1.374 116.993 115.700 -0.135 0.000 2.661 1052 S HA 0.361 4.831 4.470 -0.000 0.000 0.268 1052 S C -0.020 174.437 174.600 -0.238 0.000 1.162 1052 S CA 0.091 58.176 58.200 -0.192 0.000 0.817 1052 S CB 1.229 64.324 63.200 -0.175 0.000 1.141 1052 S HN 0.686 nan 8.310 nan 0.000 0.477 1053 T N -0.644 113.710 114.554 -0.333 0.000 3.054 1053 T HA 0.354 4.704 4.350 -0.000 0.000 0.255 1053 T C 0.472 175.047 174.700 -0.208 0.000 1.035 1053 T CA 0.002 61.964 62.100 -0.230 0.000 0.941 1053 T CB -0.490 68.280 68.868 -0.164 0.000 1.026 1053 T HN 0.604 nan 8.240 nan 0.000 0.533 1054 H N 1.190 120.176 119.070 -0.140 0.000 2.822 1054 H HA 0.270 4.826 4.556 -0.000 0.000 0.373 1054 H C 0.783 175.896 175.328 -0.358 0.000 1.223 1054 H CA -0.550 55.390 56.048 -0.180 0.000 1.436 1054 H CB 0.620 30.338 29.762 -0.073 0.000 1.439 1054 H HN 0.230 nan 8.280 nan 0.000 0.618 1055 L N 1.618 122.770 121.223 -0.119 0.000 3.110 1055 L HA 0.143 4.483 4.340 -0.000 0.000 0.266 1055 L C 0.393 177.190 176.870 -0.121 0.000 1.257 1055 L CA -0.485 54.247 54.840 -0.181 0.000 1.038 1055 L CB -0.039 41.968 42.059 -0.087 0.000 1.395 1055 L HN 0.450 nan 8.230 nan 0.000 0.566 1056 W N -0.353 120.977 121.300 0.050 0.000 2.150 1056 W HA 0.369 5.029 4.660 -0.000 0.000 0.341 1056 W C 0.393 176.924 176.519 0.019 0.000 1.276 1056 W CA -0.745 56.614 57.345 0.022 0.000 1.238 1056 W CB 0.264 29.733 29.460 0.015 0.000 1.128 1056 W HN -0.017 nan 8.180 nan 0.000 0.581 1057 S N 3.029 118.945 115.700 0.360 0.000 2.548 1057 S HA 0.148 4.618 4.470 -0.000 0.000 0.277 1057 S C -0.715 174.110 174.600 0.375 0.000 1.315 1057 S CA -1.349 56.986 58.200 0.226 0.000 1.050 1057 S CB 0.976 64.235 63.200 0.099 0.000 0.918 1057 S HN 0.346 nan 8.310 nan 0.000 0.497 1058 P HA -0.011 nan 4.420 nan 0.000 0.234 1058 P C 0.914 178.295 177.300 0.135 0.000 1.167 1058 P CA 0.696 64.028 63.100 0.387 0.000 0.763 1058 P CB 0.060 31.994 31.700 0.390 0.000 0.835 1059 L N -1.228 119.950 121.223 -0.075 0.000 2.592 1059 L HA 0.264 4.604 4.340 -0.000 0.000 0.227 1059 L C 1.167 177.939 176.870 -0.164 0.000 1.127 1059 L CA 0.110 54.764 54.840 -0.310 0.000 0.884 1059 L CB -0.028 41.716 42.059 -0.525 0.000 1.065 1059 L HN -0.104 nan 8.230 nan 0.000 0.457 1060 A N 0.807 123.628 122.820 0.001 0.000 3.370 1060 A HA 0.434 4.754 4.320 -0.000 0.000 0.295 1060 A C -2.515 175.077 177.584 0.013 0.000 1.030 1060 A CA -0.872 51.216 52.037 0.084 0.000 0.883 1060 A CB -0.123 19.010 19.000 0.222 0.000 1.191 1060 A HN -0.134 nan 8.150 nan 0.000 0.507 1061 P HA 0.362 nan 4.420 nan 0.000 0.272 1061 P C -2.864 174.200 177.300 -0.393 0.000 1.240 1061 P CA -0.872 62.009 63.100 -0.366 0.000 0.791 1061 P CB 0.121 31.638 31.700 -0.305 0.000 0.978 1062 P HA 0.215 nan 4.420 nan 0.000 0.285 1062 P C -1.485 175.640 177.300 -0.291 0.000 1.259 1062 P CA -1.607 61.234 63.100 -0.433 0.000 0.794 1062 P CB -0.197 31.159 31.700 -0.573 0.000 0.940 1063 P HA -0.293 nan 4.420 nan 0.000 0.220 1063 P C 0.739 177.983 177.300 -0.093 0.000 1.155 1063 P CA 1.775 64.802 63.100 -0.120 0.000 0.880 1063 P CB -0.103 31.544 31.700 -0.088 0.000 0.790 1064 D N -0.635 119.711 120.400 -0.090 0.000 2.323 1064 D HA -0.031 4.609 4.640 -0.000 0.000 0.239 1064 D C 1.460 177.746 176.300 -0.023 0.000 1.129 1064 D CA 0.105 54.081 54.000 -0.040 0.000 0.865 1064 D CB -0.502 40.282 40.800 -0.027 0.000 0.913 1064 D HN 0.279 nan 8.370 nan 0.000 0.517 1065 L N 0.458 121.636 121.223 -0.075 0.000 2.664 1065 L HA 0.159 4.499 4.340 -0.000 0.000 0.233 1065 L C 0.702 177.559 176.870 -0.022 0.000 1.113 1065 L CA -0.164 54.648 54.840 -0.047 0.000 0.896 1065 L CB 1.026 42.994 42.059 -0.152 0.000 1.163 1065 L HN -0.009 nan 8.230 nan 0.000 0.497 1066 V N -2.046 117.835 119.914 -0.055 0.000 2.628 1066 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 1066 V C -0.667 175.414 176.094 -0.022 0.000 1.045 1066 V CA -0.696 61.516 62.300 -0.146 0.000 0.905 1066 V CB 1.610 33.336 31.823 -0.162 0.000 0.997 1066 V HN 0.163 nan 8.190 nan 0.000 0.436 1067 F N 1.776 121.722 119.950 -0.008 0.000 2.613 1067 F HA 1.000 5.527 4.527 0.000 0.000 0.314 1067 F C -0.876 174.936 175.800 0.020 0.000 1.075 1067 F CA -0.970 57.032 58.000 0.003 0.000 0.945 1067 F CB 1.392 40.397 39.000 0.009 0.000 1.310 1067 F HN 0.719 nan 8.300 nan 0.000 0.467 1068 D N -1.012 119.541 120.400 0.254 0.000 2.614 1068 D HA 0.426 5.066 4.640 -0.000 0.000 0.264 1068 D C 0.487 176.905 176.300 0.196 0.000 1.092 1068 D CA -0.975 53.123 54.000 0.163 0.000 1.071 1068 D CB 1.217 42.059 40.800 0.071 0.000 1.443 1068 D HN 0.529 nan 8.370 nan 0.000 0.528 1069 R N -0.684 119.903 120.500 0.143 0.000 2.119 1069 R HA -0.111 4.229 4.340 -0.000 0.000 0.246 1069 R C -0.114 176.231 176.300 0.074 0.000 1.146 1069 R CA 1.547 57.715 56.100 0.114 0.000 0.962 1069 R CB -0.476 29.877 30.300 0.087 0.000 0.863 1069 R HN 0.484 nan 8.270 nan 0.000 0.442 1070 D N 0.424 120.861 120.400 0.061 0.000 2.870 1070 D HA 0.089 4.729 4.640 -0.000 0.000 0.241 1070 D C -0.512 175.811 176.300 0.037 0.000 1.234 1070 D CA 0.460 54.482 54.000 0.036 0.000 0.844 1070 D CB 0.515 41.331 40.800 0.028 0.000 1.051 1070 D HN 0.004 nan 8.370 nan 0.000 0.469 1071 T N 0.740 115.323 114.554 0.049 0.000 2.885 1071 T HA 0.470 4.820 4.350 -0.000 0.000 0.285 1071 T C -2.469 172.225 174.700 -0.010 0.000 1.019 1071 T CA -1.651 60.473 62.100 0.040 0.000 1.010 1071 T CB 2.059 70.988 68.868 0.101 0.000 1.022 1071 T HN -0.149 nan 8.240 nan 0.000 0.466 1072 P HA 0.353 nan 4.420 nan 0.000 0.276 1072 P C 0.753 177.996 177.300 -0.096 0.000 1.230 1072 P CA 0.391 63.457 63.100 -0.056 0.000 0.776 1072 P CB 0.522 32.198 31.700 -0.039 0.000 0.888 1073 G N 1.118 109.838 108.800 -0.133 0.000 2.143 1073 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.248 1073 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.248 1073 G C 0.148 174.886 174.900 -0.270 0.000 0.991 1073 G CA -0.100 44.892 45.100 -0.181 0.000 0.689 1073 G HN 0.489 nan 8.290 nan 0.000 0.522 1074 V N -0.250 119.508 119.914 -0.261 0.000 2.863 1074 V HA 0.653 4.773 4.120 -0.000 0.000 0.307 1074 V C 0.354 176.242 176.094 -0.343 0.000 1.061 1074 V CA -0.537 61.642 62.300 -0.201 0.000 1.024 1074 V CB 1.587 33.380 31.823 -0.050 0.000 1.049 1074 V HN 0.402 nan 8.190 nan 0.000 0.471 1075 H N 2.112 121.236 119.070 0.090 0.000 2.609 1075 H HA 0.602 5.158 4.556 -0.000 0.000 0.344 1075 H C -0.674 174.599 175.328 -0.092 0.000 1.040 1075 H CA -0.411 55.594 56.048 -0.073 0.000 1.216 1075 H CB 1.525 31.218 29.762 -0.116 0.000 1.529 1075 H HN 0.472 nan 8.280 nan 0.000 0.519 1076 I N 3.693 124.173 120.570 -0.150 0.000 2.437 1076 I HA 0.283 4.453 4.170 -0.000 0.000 0.298 1076 I C -0.675 175.206 176.117 -0.393 0.000 0.984 1076 I CA -0.477 60.784 61.300 -0.064 0.000 1.214 1076 I CB 0.961 38.957 38.000 -0.006 0.000 1.365 1076 I HN 0.358 nan 8.210 nan 0.000 0.469 1077 F N 2.104 122.067 119.950 0.021 0.000 2.556 1077 F HA 0.770 5.297 4.527 -0.000 0.000 0.327 1077 F C 0.735 176.476 175.800 -0.098 0.000 1.059 1077 F CA -0.458 57.475 58.000 -0.111 0.000 0.953 1077 F CB 1.898 40.713 39.000 -0.309 0.000 1.227 1077 F HN 0.416 nan 8.300 nan 0.000 0.478 1078 G N 0.155 109.001 108.800 0.076 0.000 3.105 1078 G HA2 0.358 4.318 3.960 -0.000 0.000 0.277 1078 G HA3 0.358 4.318 3.960 -0.000 0.000 0.277 1078 G C 0.156 175.063 174.900 0.011 0.000 1.375 1078 G CA -0.806 44.310 45.100 0.028 0.000 0.962 1078 G HN 0.602 nan 8.290 nan 0.000 0.541 1079 R N -0.845 119.656 120.500 0.001 0.000 2.127 1079 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 1079 R C 0.207 176.503 176.300 -0.008 0.000 1.134 1079 R CA 1.487 57.579 56.100 -0.012 0.000 0.975 1079 R CB -0.055 30.235 30.300 -0.017 0.000 0.865 1079 R HN 0.416 nan 8.270 nan 0.000 0.447 1080 D N 0.007 120.408 120.400 0.003 0.000 2.494 1080 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 1080 D C -0.554 175.770 176.300 0.042 0.000 1.153 1080 D CA -0.503 53.503 54.000 0.010 0.000 0.954 1080 D CB 0.311 41.112 40.800 0.001 0.000 1.034 1080 D HN 0.330 nan 8.370 nan 0.000 0.518 1081 C N 3.306 122.646 119.300 0.065 0.000 2.624 1081 C HA 0.520 4.980 4.460 -0.000 0.000 0.263 1081 C C 0.704 175.773 174.990 0.131 0.000 1.587 1081 C CA -1.192 57.894 59.018 0.113 0.000 1.718 1081 C CB -1.512 26.271 27.740 0.071 0.000 3.050 1081 C HN 0.327 nan 8.230 nan 0.000 0.517 1082 R N 1.285 121.844 120.500 0.099 0.000 2.537 1082 R HA 0.324 4.664 4.340 -0.000 0.000 0.281 1082 R C -0.134 176.269 176.300 0.172 0.000 0.988 1082 R CA 0.739 56.904 56.100 0.108 0.000 1.077 1082 R CB 0.397 30.734 30.300 0.062 0.000 0.932 1082 R HN 0.597 nan 8.270 nan 0.000 0.409 1083 I N 0.853 121.573 120.570 0.249 0.000 2.498 1083 I HA 0.176 4.346 4.170 -0.000 0.000 0.301 1083 I C 0.262 176.580 176.117 0.334 0.000 0.984 1083 I CA -0.350 61.162 61.300 0.354 0.000 1.204 1083 I CB 1.989 40.305 38.000 0.526 0.000 1.362 1083 I HN 0.478 nan 8.210 nan 0.000 0.471 1084 S N 5.124 121.015 115.700 0.317 0.000 2.502 1084 S HA 0.559 5.029 4.470 -0.000 0.000 0.304 1084 S C -0.659 174.149 174.600 0.347 0.000 1.097 1084 S CA -0.527 57.838 58.200 0.276 0.000 1.045 1084 S CB 0.614 63.911 63.200 0.162 0.000 1.019 1084 S HN 0.260 nan 8.310 nan 0.000 0.481 1085 F N 2.721 122.704 119.950 0.055 0.000 2.459 1085 F HA 0.438 4.965 4.527 -0.000 0.000 0.346 1085 F C 1.494 177.282 175.800 -0.019 0.000 1.128 1085 F CA -0.371 57.636 58.000 0.011 0.000 1.268 1085 F CB 0.438 39.457 39.000 0.031 0.000 1.161 1085 F HN 0.706 nan 8.300 nan 0.000 0.583 1086 G N 3.243 112.059 108.800 0.027 0.000 2.364 1086 G HA2 0.388 4.348 3.960 -0.000 0.000 0.267 1086 G HA3 0.388 4.348 3.960 -0.000 0.000 0.267 1086 G C -0.695 174.237 174.900 0.053 0.000 1.233 1086 G CA -0.478 44.619 45.100 -0.004 0.000 0.885 1086 G HN 0.458 nan 8.290 nan 0.000 0.490 1087 M N 2.224 121.855 119.600 0.051 0.000 2.363 1087 M HA 0.338 4.818 4.480 -0.000 0.000 0.343 1087 M C 0.418 176.737 176.300 0.033 0.000 1.165 1087 M CA -0.661 54.671 55.300 0.054 0.000 1.046 1087 M CB 0.920 33.551 32.600 0.052 0.000 1.648 1087 M HN 0.561 nan 8.290 nan 0.000 0.452 1088 N N 3.364 122.084 118.700 0.033 0.000 2.714 1088 N HA -0.201 4.539 4.740 -0.000 0.000 0.252 1088 N C 0.634 176.154 175.510 0.017 0.000 1.014 1088 N CA 1.492 54.556 53.050 0.023 0.000 0.735 1088 N CB -1.617 36.882 38.487 0.020 0.000 0.924 1088 N HN 1.119 nan 8.380 nan 0.000 0.540 1089 G N -2.415 106.394 108.800 0.016 0.000 2.279 1089 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.223 1089 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.223 1089 G C 0.353 175.258 174.900 0.009 0.000 1.015 1089 G CA 0.505 45.613 45.100 0.013 0.000 0.621 1089 G HN 1.211 nan 8.290 nan 0.000 0.506 1090 A N 0.735 123.557 122.820 0.004 0.000 2.448 1090 A HA 0.745 5.065 4.320 -0.000 0.000 0.239 1090 A C 1.004 178.568 177.584 -0.034 0.000 1.080 1090 A CA 1.296 53.328 52.037 -0.008 0.000 0.779 1090 A CB 0.224 19.223 19.000 -0.003 0.000 1.026 1090 A HN 2.160 nan 8.150 nan 0.000 0.499 1091 A N 2.308 125.090 122.820 -0.063 0.000 2.322 1091 A HA 0.667 4.987 4.320 -0.000 0.000 0.269 1091 A C -1.904 175.545 177.584 -0.225 0.000 1.094 1091 A CA -1.452 50.495 52.037 -0.151 0.000 0.807 1091 A CB -0.166 18.728 19.000 -0.176 0.000 1.047 1091 A HN 0.744 nan 8.150 nan 0.000 0.487 1092 P HA 0.404 nan 4.420 nan 0.000 0.274 1092 P C -0.889 176.167 177.300 -0.406 0.000 1.246 1092 P CA 0.122 62.932 63.100 -0.483 0.000 0.795 1092 P CB 0.789 31.947 31.700 -0.904 0.000 1.006 1093 M N 1.050 120.630 119.600 -0.034 0.000 2.470 1093 M HA 0.476 4.956 4.480 -0.000 0.000 0.285 1093 M C -0.401 176.126 176.300 0.378 0.000 1.213 1093 M CA -0.816 54.615 55.300 0.218 0.000 0.901 1093 M CB 2.935 35.596 32.600 0.101 0.000 1.718 1093 M HN 0.271 nan 8.290 nan 0.000 0.469 1094 I N 1.169 121.966 120.570 0.378 0.000 2.750 1094 I HA 0.568 4.738 4.170 -0.000 0.000 0.308 1094 I C -0.520 175.686 176.117 0.148 0.000 1.016 1094 I CA -0.851 60.580 61.300 0.220 0.000 1.098 1094 I CB 1.827 39.800 38.000 -0.045 0.000 1.279 1094 I HN 0.773 nan 8.210 nan 0.000 0.454 1095 R N 4.400 124.989 120.500 0.148 0.000 2.297 1095 R HA 0.150 4.490 4.340 -0.000 0.000 0.308 1095 R C -0.134 176.188 176.300 0.036 0.000 1.029 1095 R CA -0.468 55.680 56.100 0.081 0.000 0.929 1095 R CB 0.692 31.028 30.300 0.061 0.000 1.046 1095 R HN 0.647 nan 8.270 nan 0.000 0.461 1096 D N 1.634 121.931 120.400 -0.171 0.000 2.273 1096 D HA -0.118 4.522 4.640 -0.000 0.000 0.247 1096 D C 0.608 176.717 176.300 -0.318 0.000 1.313 1096 D CA 0.352 54.081 54.000 -0.451 0.000 0.974 1096 D CB 0.762 41.394 40.800 -0.281 0.000 1.157 1096 D HN 0.723 nan 8.370 nan 0.000 0.533 1097 E N -1.441 118.565 120.200 -0.324 0.000 2.431 1097 E HA -0.047 4.303 4.350 -0.000 0.000 0.200 1097 E C 1.232 177.766 176.600 -0.110 0.000 0.995 1097 E CA 0.411 56.705 56.400 -0.176 0.000 0.915 1097 E CB 0.188 29.789 29.700 -0.165 0.000 0.930 1097 E HN 0.475 nan 8.360 nan 0.000 0.496 1098 T N -3.308 111.176 114.554 -0.116 0.000 3.057 1098 T HA 0.272 4.622 4.350 -0.000 0.000 0.254 1098 T C 1.392 176.060 174.700 -0.054 0.000 1.094 1098 T CA 0.507 62.566 62.100 -0.069 0.000 1.088 1098 T CB 0.640 69.474 68.868 -0.056 0.000 0.934 1098 T HN 0.233 nan 8.240 nan 0.000 0.497 1099 G N 1.555 110.315 108.800 -0.067 0.000 2.145 1099 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.176 1099 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.176 1099 G C -0.190 174.687 174.900 -0.037 0.000 1.013 1099 G CA -0.303 44.772 45.100 -0.043 0.000 0.689 1099 G HN 0.398 nan 8.290 nan 0.000 0.506 1100 M N 0.582 120.147 119.600 -0.058 0.000 2.364 1100 M HA 0.591 5.071 4.480 -0.000 0.000 0.334 1100 M C 0.198 176.463 176.300 -0.059 0.000 1.107 1100 M CA -0.664 54.607 55.300 -0.048 0.000 0.988 1100 M CB 1.437 34.011 32.600 -0.042 0.000 1.673 1100 M HN 0.025 nan 8.290 nan 0.000 0.441 1101 M N 4.124 123.709 119.600 -0.025 0.000 2.084 1101 M HA 0.409 4.889 4.480 -0.000 0.000 0.351 1101 M C -0.123 176.166 176.300 -0.019 0.000 1.240 1101 M CA -0.573 54.726 55.300 -0.000 0.000 1.083 1101 M CB 0.160 32.778 32.600 0.031 0.000 1.593 1101 M HN 0.564 nan 8.290 nan 0.000 0.463 1102 V N 3.003 122.896 119.914 -0.035 0.000 2.994 1102 V HA 0.845 4.965 4.120 -0.000 0.000 0.318 1102 V C -2.627 173.540 176.094 0.122 0.000 1.085 1102 V CA -2.010 60.262 62.300 -0.046 0.000 0.998 1102 V CB 1.822 33.471 31.823 -0.290 0.000 1.063 1102 V HN 0.626 nan 8.190 nan 0.000 0.447 1103 P HA 0.373 nan 4.420 nan 0.000 0.281 1103 P C -0.676 176.860 177.300 0.392 0.000 1.264 1103 P CA -0.487 62.719 63.100 0.177 0.000 0.824 1103 P CB 0.791 32.499 31.700 0.013 0.000 1.092 1104 F N 1.115 120.938 119.950 -0.212 0.000 2.626 1104 F HA 0.151 4.678 4.527 0.000 0.000 0.368 1104 F C 1.295 176.775 175.800 -0.534 0.000 1.227 1104 F CA 0.241 57.984 58.000 -0.428 0.000 1.302 1104 F CB -1.447 36.913 39.000 -1.067 0.000 1.733 1104 F HN 0.370 nan 8.300 nan 0.000 0.672 1105 E N -1.086 119.002 120.200 -0.186 0.000 2.388 1105 E HA 0.612 4.962 4.350 -0.000 0.000 0.281 1105 E C -0.124 176.375 176.600 -0.168 0.000 1.046 1105 E CA -0.676 55.598 56.400 -0.209 0.000 0.825 1105 E CB 1.672 31.330 29.700 -0.070 0.000 1.243 1105 E HN 0.354 nan 8.360 nan 0.000 0.438 1106 G N 1.611 110.289 108.800 -0.203 0.000 2.416 1106 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.203 1106 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.203 1106 G C -1.435 173.309 174.900 -0.259 0.000 1.227 1106 G CA -0.369 44.653 45.100 -0.131 0.000 1.041 1106 G HN 0.621 nan 8.290 nan 0.000 0.546 1107 N N 0.476 119.063 118.700 -0.189 0.000 2.443 1107 N HA 0.520 5.260 4.740 -0.000 0.000 0.269 1107 N C -1.002 174.599 175.510 0.153 0.000 0.985 1107 N CA -0.306 52.536 53.050 -0.347 0.000 0.921 1107 N CB 1.197 38.979 38.487 -1.176 0.000 1.195 1107 N HN 0.468 nan 8.380 nan 0.000 0.492 1108 W N 1.575 122.935 121.300 0.100 0.000 2.578 1108 W HA 0.610 5.270 4.660 -0.000 0.000 0.364 1108 W C 0.167 176.931 176.519 0.407 0.000 1.144 1108 W CA -0.792 56.737 57.345 0.307 0.000 1.242 1108 W CB 0.695 30.251 29.460 0.161 0.000 1.382 1108 W HN 0.191 nan 8.180 nan 0.000 0.625 1109 I N 2.434 123.471 120.570 0.779 0.000 2.468 1109 I HA 0.211 4.381 4.170 -0.000 0.000 0.284 1109 I C -1.342 175.240 176.117 0.775 0.000 1.038 1109 I CA -0.635 61.031 61.300 0.609 0.000 1.083 1109 I CB 0.953 39.215 38.000 0.437 0.000 1.223 1109 I HN -0.050 nan 8.210 nan 0.000 0.443 1110 F N 7.837 127.989 119.950 0.335 0.000 2.467 1110 F HA 0.521 5.048 4.527 -0.000 0.000 0.336 1110 F C -2.200 173.757 175.800 0.261 0.000 1.123 1110 F CA -2.991 55.194 58.000 0.308 0.000 0.964 1110 F CB 1.848 41.051 39.000 0.339 0.000 1.136 1110 F HN 0.178 nan 8.300 nan 0.000 0.447 1111 P HA 0.082 nan 4.420 nan 0.000 0.285 1111 P C 0.928 178.402 177.300 0.290 0.000 1.259 1111 P CA -0.341 62.916 63.100 0.262 0.000 0.794 1111 P CB 1.710 33.513 31.700 0.172 0.000 0.940 1112 L N 4.818 126.201 121.223 0.267 0.000 2.054 1112 L HA -0.333 4.007 4.340 -0.000 0.000 0.220 1112 L C 2.414 179.430 176.870 0.243 0.000 1.081 1112 L CA 2.904 57.904 54.840 0.266 0.000 0.780 1112 L CB -1.717 40.457 42.059 0.191 0.000 0.893 1112 L HN 0.520 nan 8.230 nan 0.000 0.438 1113 A N -0.549 122.365 122.820 0.156 0.000 1.909 1113 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 1113 A C 2.287 179.931 177.584 0.100 0.000 1.223 1113 A CA 2.549 54.643 52.037 0.095 0.000 0.658 1113 A CB -1.157 17.877 19.000 0.056 0.000 0.831 1113 A HN 0.581 nan 8.150 nan 0.000 0.462 1114 L N -2.214 119.083 121.223 0.125 0.000 1.997 1114 L HA -0.284 4.056 4.340 -0.000 0.000 0.216 1114 L C 2.711 179.641 176.870 0.100 0.000 1.074 1114 L CA 2.229 57.116 54.840 0.079 0.000 0.763 1114 L CB -0.734 41.346 42.059 0.035 0.000 0.890 1114 L HN 0.773 nan 8.230 nan 0.000 0.434 1115 W N 1.181 122.616 121.300 0.225 0.000 2.333 1115 W HA -0.233 4.427 4.660 -0.000 0.000 0.316 1115 W C 2.603 179.102 176.519 -0.033 0.000 1.215 1115 W CA 1.859 59.337 57.345 0.222 0.000 1.278 1115 W CB -0.443 29.205 29.460 0.313 0.000 1.154 1115 W HN 0.329 nan 8.180 nan 0.000 0.486 1116 Q N -0.482 119.458 119.800 0.233 0.000 2.112 1116 Q HA -0.278 4.062 4.340 -0.000 0.000 0.206 1116 Q C 2.323 178.287 176.000 -0.060 0.000 0.987 1116 Q CA 2.303 58.149 55.803 0.071 0.000 0.858 1116 Q CB -0.565 28.192 28.738 0.033 0.000 0.905 1116 Q HN 0.345 nan 8.270 nan 0.000 0.420 1117 M N -0.014 119.516 119.600 -0.117 0.000 2.229 1117 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 1117 M C 0.505 176.621 176.300 -0.307 0.000 1.063 1117 M CA 0.924 56.112 55.300 -0.186 0.000 1.114 1117 M CB 0.139 32.632 32.600 -0.179 0.000 1.387 1117 M HN 0.107 nan 8.290 nan 0.000 0.420 1118 N N -0.448 117.943 118.700 -0.516 0.000 2.480 1118 N HA 0.144 4.884 4.740 -0.000 0.000 0.281 1118 N C 0.585 175.712 175.510 -0.638 0.000 1.381 1118 N CA 0.060 52.687 53.050 -0.706 0.000 0.903 1118 N CB 0.560 38.245 38.487 -1.336 0.000 1.274 1118 N HN 0.087 nan 8.380 nan 0.000 0.505 1119 T N 1.319 115.658 114.554 -0.357 0.000 2.565 1119 T HA -0.202 4.148 4.350 -0.000 0.000 0.265 1119 T C 1.984 176.582 174.700 -0.170 0.000 1.082 1119 T CA 1.512 63.497 62.100 -0.192 0.000 1.173 1119 T CB 0.178 69.045 68.868 -0.001 0.000 0.864 1119 T HN 0.271 nan 8.240 nan 0.000 0.425 1120 R N -0.121 120.287 120.500 -0.153 0.000 2.080 1120 R HA -0.045 4.295 4.340 -0.000 0.000 0.236 1120 R C 2.159 178.429 176.300 -0.051 0.000 1.137 1120 R CA 1.500 57.525 56.100 -0.124 0.000 0.943 1120 R CB -1.366 28.854 30.300 -0.132 0.000 0.846 1120 R HN 0.502 nan 8.270 nan 0.000 0.431 1121 Y N 0.582 120.767 120.300 -0.190 0.000 2.145 1121 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 1121 Y C 2.219 178.061 175.900 -0.098 0.000 1.145 1121 Y CA 1.413 59.446 58.100 -0.113 0.000 1.148 1121 Y CB -0.353 38.036 38.460 -0.117 0.000 0.981 1121 Y HN -0.110 nan 8.280 nan 0.000 0.507 1122 F N 0.284 119.989 119.950 -0.408 0.000 2.134 1122 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 1122 F C 2.413 177.857 175.800 -0.592 0.000 1.097 1122 F CA 1.171 58.667 58.000 -0.841 0.000 1.264 1122 F CB -1.377 36.961 39.000 -1.104 0.000 1.001 1122 F HN 0.149 nan 8.300 nan 0.000 0.479 1123 N N 0.418 119.077 118.700 -0.069 0.000 2.061 1123 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 1123 N C 1.968 177.549 175.510 0.118 0.000 1.030 1123 N CA 1.574 54.751 53.050 0.211 0.000 0.856 1123 N CB -0.412 38.210 38.487 0.225 0.000 1.023 1123 N HN 0.297 nan 8.380 nan 0.000 0.424 1124 Q N 1.007 120.801 119.800 -0.009 0.000 2.020 1124 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 1124 Q C 1.745 177.721 176.000 -0.041 0.000 0.982 1124 Q CA 1.644 57.432 55.803 -0.024 0.000 0.838 1124 Q CB -0.293 28.392 28.738 -0.089 0.000 0.899 1124 Q HN 0.272 nan 8.270 nan 0.000 0.423 1125 Q N -0.894 118.783 119.800 -0.206 0.000 2.172 1125 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 1125 Q C 2.021 178.215 176.000 0.323 0.000 0.964 1125 Q CA 1.311 57.062 55.803 -0.087 0.000 0.855 1125 Q CB -0.139 28.394 28.738 -0.342 0.000 0.918 1125 Q HN 0.528 nan 8.270 nan 0.000 0.444 1126 F N 0.477 120.582 119.950 0.258 0.000 2.343 1126 F HA -0.010 4.517 4.527 -0.000 0.000 0.286 1126 F C 1.750 177.769 175.800 0.364 0.000 1.057 1126 F CA -0.277 57.905 58.000 0.302 0.000 1.365 1126 F CB -0.017 39.040 39.000 0.095 0.000 1.114 1126 F HN -0.006 nan 8.300 nan 0.000 0.545 1127 D N 1.429 122.140 120.400 0.518 0.000 2.653 1127 D HA -0.351 4.290 4.640 -0.000 0.000 0.199 1127 D C 2.164 178.610 176.300 0.243 0.000 1.042 1127 D CA 2.198 56.465 54.000 0.446 0.000 0.876 1127 D CB -0.783 40.255 40.800 0.397 0.000 1.010 1127 D HN 0.244 nan 8.370 nan 0.000 0.473 1128 A N -0.460 122.406 122.820 0.077 0.000 1.948 1128 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 1128 A C 2.144 179.564 177.584 -0.273 0.000 1.177 1128 A CA 1.964 53.881 52.037 -0.200 0.000 0.636 1128 A CB -1.206 17.579 19.000 -0.359 0.000 0.815 1128 A HN 0.460 nan 8.150 nan 0.000 0.449 1129 W N -0.407 120.937 121.300 0.074 0.000 2.418 1129 W HA 0.058 4.718 4.660 -0.000 0.000 0.292 1129 W C 2.076 178.589 176.519 -0.011 0.000 1.213 1129 W CA 0.573 57.941 57.345 0.038 0.000 1.283 1129 W CB -0.373 29.146 29.460 0.098 0.000 1.119 1129 W HN 0.206 nan 8.180 nan 0.000 0.542 1130 I N 0.551 121.265 120.570 0.240 0.000 2.179 1130 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 1130 I C 2.494 178.707 176.117 0.159 0.000 1.088 1130 I CA 1.522 62.937 61.300 0.192 0.000 1.357 1130 I CB -0.599 37.580 38.000 0.299 0.000 1.051 1130 I HN -0.027 nan 8.210 nan 0.000 0.409 1131 K N 0.734 121.067 120.400 -0.111 0.000 1.985 1131 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 1131 K C 1.857 178.361 176.600 -0.159 0.000 1.047 1131 K CA 2.241 58.253 56.287 -0.457 0.000 0.932 1131 K CB -0.025 31.694 32.500 -1.302 0.000 0.716 1131 K HN 0.414 nan 8.250 nan 0.000 0.439 1132 T N -3.372 111.069 114.554 -0.187 0.000 3.003 1132 T HA 0.303 4.653 4.350 -0.000 0.000 0.261 1132 T C 0.865 175.526 174.700 -0.066 0.000 1.003 1132 T CA -0.149 61.874 62.100 -0.128 0.000 0.917 1132 T CB 0.869 69.626 68.868 -0.184 0.000 1.084 1132 T HN 0.234 nan 8.240 nan 0.000 0.522 1133 G N 0.881 109.672 108.800 -0.015 0.000 2.714 1133 G HA2 0.511 4.471 3.960 -0.000 0.000 0.197 1133 G HA3 0.511 4.471 3.960 -0.000 0.000 0.197 1133 G C -0.170 174.779 174.900 0.082 0.000 1.449 1133 G CA -0.492 44.661 45.100 0.088 0.000 1.065 1133 G HN 0.237 nan 8.290 nan 0.000 0.575 1134 E N -0.264 119.999 120.200 0.106 0.000 3.157 1134 E HA 0.206 4.556 4.350 -0.000 0.000 0.203 1134 E C -0.843 175.720 176.600 -0.062 0.000 0.982 1134 E CA -0.435 55.977 56.400 0.020 0.000 1.217 1134 E CB 0.919 30.629 29.700 0.017 0.000 1.123 1134 E HN 0.147 nan 8.360 nan 0.000 0.457 1135 L N 1.161 122.332 121.223 -0.087 0.000 2.295 1135 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 1135 L C -0.588 176.136 176.870 -0.242 0.000 1.035 1135 L CA -0.233 54.414 54.840 -0.322 0.000 0.806 1135 L CB 0.709 42.508 42.059 -0.433 0.000 1.214 1135 L HN -0.058 nan 8.230 nan 0.000 0.426 1136 R N 6.407 126.732 120.500 -0.291 0.000 2.502 1136 R HA 0.612 4.952 4.340 -0.000 0.000 0.300 1136 R C -1.321 174.940 176.300 -0.065 0.000 0.984 1136 R CA -0.649 55.399 56.100 -0.085 0.000 0.882 1136 R CB 1.779 32.117 30.300 0.064 0.000 1.180 1136 R HN 0.588 nan 8.270 nan 0.000 0.444 1137 I N 2.315 122.851 120.570 -0.056 0.000 2.433 1137 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 1137 I C 0.026 176.167 176.117 0.041 0.000 1.001 1137 I CA -0.877 60.399 61.300 -0.039 0.000 1.119 1137 I CB 2.084 39.925 38.000 -0.264 0.000 1.289 1137 I HN 0.369 nan 8.210 nan 0.000 0.438 1138 R N 7.013 127.593 120.500 0.133 0.000 2.215 1138 R HA 0.447 4.787 4.340 -0.000 0.000 0.336 1138 R C -1.020 175.354 176.300 0.123 0.000 0.996 1138 R CA -0.631 55.485 56.100 0.025 0.000 0.847 1138 R CB 0.630 30.881 30.300 -0.082 0.000 1.127 1138 R HN 0.483 nan 8.270 nan 0.000 0.465 1139 I N 4.359 124.979 120.570 0.084 0.000 2.337 1139 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 1139 I C 0.344 176.553 176.117 0.154 0.000 1.046 1139 I CA -0.151 61.255 61.300 0.177 0.000 1.324 1139 I CB 1.092 39.184 38.000 0.153 0.000 1.409 1139 I HN 0.618 nan 8.210 nan 0.000 0.494 1140 E N 6.864 127.187 120.200 0.205 0.000 2.257 1140 E HA 0.194 4.544 4.350 -0.000 0.000 0.278 1140 E C 0.319 177.030 176.600 0.186 0.000 1.049 1140 E CA 0.083 56.587 56.400 0.174 0.000 0.876 1140 E CB 1.308 31.115 29.700 0.178 0.000 1.035 1140 E HN 0.566 nan 8.360 nan 0.000 0.419 1141 M N 0.897 120.615 119.600 0.197 0.000 2.532 1141 M HA 0.186 4.666 4.480 -0.000 0.000 0.244 1141 M C 1.352 177.820 176.300 0.279 0.000 1.390 1141 M CA 0.564 56.014 55.300 0.249 0.000 1.132 1141 M CB 0.764 33.538 32.600 0.289 0.000 1.466 1141 M HN 0.781 nan 8.290 nan 0.000 0.550 1142 G N 1.693 110.656 108.800 0.273 0.000 4.165 1142 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.211 1142 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.211 1142 G C 0.086 175.184 174.900 0.330 0.000 1.469 1142 G CA 0.089 45.356 45.100 0.278 0.000 0.964 1142 G HN 0.858 nan 8.290 nan 0.000 0.613 1143 A N -0.787 122.220 122.820 0.311 0.000 2.572 1143 A HA 0.996 5.316 4.320 -0.000 0.000 0.295 1143 A C -0.907 176.782 177.584 0.175 0.000 1.072 1143 A CA 0.272 52.403 52.037 0.158 0.000 0.691 1143 A CB 1.405 20.414 19.000 0.016 0.000 1.291 1143 A HN 2.203 nan 8.150 nan 0.000 0.404 1144 Y N -1.177 119.102 120.300 -0.034 0.000 2.573 1144 Y HA 0.719 5.269 4.550 0.000 0.000 0.328 1144 Y C -3.334 172.495 175.900 -0.117 0.000 1.170 1144 Y CA -2.406 55.664 58.100 -0.050 0.000 1.078 1144 Y CB 1.009 39.567 38.460 0.164 0.000 1.341 1144 Y HN 0.478 nan 8.280 nan 0.000 0.459 1145 P HA 0.245 nan 4.420 nan 0.000 0.278 1145 P C -1.453 176.029 177.300 0.304 0.000 1.238 1145 P CA 0.208 63.232 63.100 -0.127 0.000 0.794 1145 P CB 1.225 32.767 31.700 -0.264 0.000 0.955 1146 Y N 0.070 120.475 120.300 0.174 0.000 2.570 1146 Y HA 0.832 5.382 4.550 -0.000 0.000 0.345 1146 Y C -0.768 175.268 175.900 0.226 0.000 1.014 1146 Y CA -1.653 56.632 58.100 0.308 0.000 1.063 1146 Y CB 1.919 40.583 38.460 0.340 0.000 1.272 1146 Y HN 0.307 nan 8.280 nan 0.000 0.477 1147 M N 3.558 123.393 119.600 0.391 0.000 2.446 1147 M HA 0.609 5.089 4.480 -0.000 0.000 0.294 1147 M C -2.411 174.050 176.300 0.269 0.000 1.158 1147 M CA -0.636 54.784 55.300 0.200 0.000 0.899 1147 M CB 2.082 34.758 32.600 0.127 0.000 1.687 1147 M HN 0.822 nan 8.290 nan 0.000 0.455 1148 L N 3.652 124.955 121.223 0.133 0.000 2.325 1148 L HA 0.494 4.834 4.340 -0.000 0.000 0.278 1148 L C -1.201 175.612 176.870 -0.096 0.000 1.023 1148 L CA -0.804 54.112 54.840 0.128 0.000 0.811 1148 L CB 1.595 43.792 42.059 0.229 0.000 1.249 1148 L HN 0.751 nan 8.230 nan 0.000 0.431 1149 H N 1.606 120.770 119.070 0.156 0.000 2.887 1149 H HA 0.366 4.922 4.556 0.000 0.000 0.300 1149 H C -1.152 174.266 175.328 0.151 0.000 1.038 1149 H CA -0.376 55.770 56.048 0.163 0.000 1.352 1149 H CB 0.774 30.600 29.762 0.107 0.000 1.473 1149 H HN 0.309 nan 8.280 nan 0.000 0.503 1150 Y N 2.653 123.077 120.300 0.207 0.000 2.304 1150 Y HA 0.218 4.768 4.550 -0.000 0.000 0.327 1150 Y C 0.003 176.042 175.900 0.231 0.000 1.209 1150 Y CA -0.225 57.975 58.100 0.167 0.000 1.299 1150 Y CB 0.551 39.046 38.460 0.058 0.000 1.249 1150 Y HN 0.587 nan 8.280 nan 0.000 0.519 1151 Y N -1.082 119.302 120.300 0.140 0.000 2.588 1151 Y HA 0.474 5.024 4.550 -0.000 0.000 0.343 1151 Y C -1.303 174.634 175.900 0.062 0.000 1.065 1151 Y CA -1.791 56.358 58.100 0.082 0.000 1.038 1151 Y CB 1.088 39.560 38.460 0.019 0.000 1.297 1151 Y HN 0.432 nan 8.280 nan 0.000 0.467 1152 D N 3.141 123.632 120.400 0.151 0.000 2.336 1152 D HA 0.276 4.916 4.640 -0.000 0.000 0.249 1152 D C -1.896 174.440 176.300 0.059 0.000 1.213 1152 D CA -2.423 51.599 54.000 0.037 0.000 0.870 1152 D CB 1.585 42.433 40.800 0.079 0.000 1.076 1152 D HN 0.404 nan 8.370 nan 0.000 0.483 1153 P HA -0.153 nan 4.420 nan 0.000 0.217 1153 P C 0.680 178.000 177.300 0.033 0.000 1.148 1153 P CA 1.160 64.210 63.100 -0.082 0.000 0.828 1153 P CB 0.023 31.617 31.700 -0.176 0.000 0.783 1154 R N -1.037 119.477 120.500 0.022 0.000 2.423 1154 R HA 0.195 4.535 4.340 -0.000 0.000 0.248 1154 R C 0.215 176.555 176.300 0.067 0.000 1.019 1154 R CA 0.143 56.263 56.100 0.034 0.000 1.119 1154 R CB -0.375 29.935 30.300 0.017 0.000 1.176 1154 R HN 0.269 nan 8.270 nan 0.000 0.526 1155 Q N 0.498 120.360 119.800 0.102 0.000 2.379 1155 Q HA 0.165 4.505 4.340 -0.000 0.000 0.278 1155 Q C -1.564 174.522 176.000 0.144 0.000 1.068 1155 Q CA -1.194 54.684 55.803 0.124 0.000 0.816 1155 Q CB 2.125 30.935 28.738 0.120 0.000 1.387 1155 Q HN 0.125 nan 8.270 nan 0.000 0.413 1156 Y N 1.242 121.559 120.300 0.028 0.000 2.861 1156 Y HA 0.143 4.693 4.550 0.000 0.000 0.344 1156 Y C -0.660 175.230 175.900 -0.016 0.000 1.272 1156 Y CA 0.854 58.955 58.100 0.001 0.000 1.502 1156 Y CB 0.490 38.947 38.460 -0.005 0.000 1.333 1156 Y HN 0.627 nan 8.280 nan 0.000 0.634 1157 A N 5.546 127.886 122.820 -0.801 0.000 2.500 1157 A HA 0.337 4.657 4.320 -0.000 0.000 0.291 1157 A C -1.516 175.623 177.584 -0.741 0.000 1.048 1157 A CA -0.696 50.973 52.037 -0.613 0.000 0.791 1157 A CB 0.627 19.274 19.000 -0.588 0.000 1.309 1157 A HN 0.857 nan 8.150 nan 0.000 0.397 1158 N N 2.111 120.537 118.700 -0.455 0.000 2.524 1158 N HA 0.493 5.233 4.740 -0.000 0.000 0.261 1158 N C 0.627 176.108 175.510 -0.049 0.000 0.998 1158 N CA 0.113 53.033 53.050 -0.215 0.000 0.915 1158 N CB 1.427 39.904 38.487 -0.017 0.000 1.187 1158 N HN 0.737 nan 8.380 nan 0.000 0.507 1159 A N 4.317 127.127 122.820 -0.018 0.000 2.252 1159 A HA -0.076 4.244 4.320 -0.000 0.000 0.207 1159 A C 1.555 179.171 177.584 0.053 0.000 1.194 1159 A CA -0.291 51.740 52.037 -0.010 0.000 0.809 1159 A CB -0.749 18.230 19.000 -0.034 0.000 0.814 1159 A HN 0.961 nan 8.150 nan 0.000 0.482 1160 W N 1.191 122.455 121.300 -0.060 0.000 2.338 1160 W HA -0.233 4.427 4.660 0.000 0.000 0.304 1160 W C 1.444 177.843 176.519 -0.200 0.000 1.212 1160 W CA 1.821 58.988 57.345 -0.298 0.000 1.264 1160 W CB -0.275 29.008 29.460 -0.295 0.000 1.142 1160 W HN 0.471 nan 8.180 nan 0.000 0.512 1161 N N 0.947 119.559 118.700 -0.146 0.000 2.036 1161 N HA -0.229 4.511 4.740 -0.000 0.000 0.195 1161 N C 1.599 176.926 175.510 -0.305 0.000 1.037 1161 N CA 2.397 55.315 53.050 -0.220 0.000 0.855 1161 N CB -0.878 37.563 38.487 -0.077 0.000 1.033 1161 N HN 0.180 nan 8.380 nan 0.000 0.423 1162 L N 0.754 121.817 121.223 -0.267 0.000 2.027 1162 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 1162 L C 2.660 179.370 176.870 -0.266 0.000 1.074 1162 L CA 1.668 56.358 54.840 -0.250 0.000 0.745 1162 L CB -1.583 40.299 42.059 -0.295 0.000 0.898 1162 L HN 0.313 nan 8.230 nan 0.000 0.433 1163 T N -4.353 109.979 114.554 -0.369 0.000 3.007 1163 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 1163 T C 2.063 176.449 174.700 -0.524 0.000 1.107 1163 T CA 1.232 63.097 62.100 -0.391 0.000 1.118 1163 T CB -0.397 68.240 68.868 -0.385 0.000 0.889 1163 T HN 0.259 nan 8.240 nan 0.000 0.506 1164 S N 1.619 116.831 115.700 -0.814 0.000 2.329 1164 S HA 0.136 4.606 4.470 -0.000 0.000 0.215 1164 S C 2.577 176.987 174.600 -0.317 0.000 1.031 1164 S CA 1.072 58.789 58.200 -0.805 0.000 0.985 1164 S CB -1.079 61.555 63.200 -0.944 0.000 0.917 1164 S HN 0.712 nan 8.310 nan 0.000 0.441 1165 A N 0.198 122.879 122.820 -0.231 0.000 1.997 1165 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 1165 A C 1.868 179.437 177.584 -0.026 0.000 1.172 1165 A CA 1.865 53.848 52.037 -0.090 0.000 0.645 1165 A CB -1.285 17.677 19.000 -0.063 0.000 0.813 1165 A HN 0.865 nan 8.150 nan 0.000 0.454 1166 W N 0.407 121.579 121.300 -0.213 0.000 2.380 1166 W HA -0.119 4.541 4.660 -0.000 0.000 0.317 1166 W C 1.917 178.328 176.519 -0.180 0.000 1.196 1166 W CA 1.892 59.128 57.345 -0.182 0.000 1.307 1166 W CB -0.549 28.769 29.460 -0.236 0.000 1.157 1166 W HN 0.248 nan 8.180 nan 0.000 0.483 1167 L N 0.512 121.685 121.223 -0.083 0.000 2.013 1167 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 1167 L C 2.632 179.450 176.870 -0.087 0.000 1.073 1167 L CA 1.743 56.443 54.840 -0.234 0.000 0.753 1167 L CB -1.086 40.917 42.059 -0.094 0.000 0.890 1167 L HN 0.027 nan 8.230 nan 0.000 0.432 1168 E N 0.434 120.618 120.200 -0.027 0.000 2.097 1168 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 1168 E C 1.610 178.205 176.600 -0.008 0.000 1.000 1168 E CA 1.416 57.839 56.400 0.038 0.000 0.804 1168 E CB -0.180 29.550 29.700 0.051 0.000 0.740 1168 E HN 0.606 nan 8.360 nan 0.000 0.454 1169 E N 0.288 120.431 120.200 -0.094 0.000 2.403 1169 E HA 0.134 4.484 4.350 -0.000 0.000 0.188 1169 E C 0.304 176.790 176.600 -0.191 0.000 1.056 1169 E CA -0.284 56.051 56.400 -0.108 0.000 0.892 1169 E CB 0.228 29.878 29.700 -0.083 0.000 1.049 1169 E HN 0.193 nan 8.360 nan 0.000 0.465 1170 I N 0.763 121.184 120.570 -0.247 0.000 2.638 1170 I HA 0.076 4.246 4.170 -0.000 0.000 0.286 1170 I C 0.519 176.580 176.117 -0.094 0.000 1.088 1170 I CA 0.432 61.573 61.300 -0.265 0.000 1.397 1170 I CB 1.336 39.154 38.000 -0.303 0.000 1.414 1170 I HN -0.088 nan 8.210 nan 0.000 0.566 1171 T N 5.183 119.687 114.554 -0.084 0.000 2.843 1171 T HA 0.272 4.622 4.350 -0.000 0.000 0.302 1171 T C -2.232 172.438 174.700 -0.049 0.000 1.232 1171 T CA -0.799 61.270 62.100 -0.052 0.000 1.009 1171 T CB 2.101 70.938 68.868 -0.051 0.000 1.254 1171 T HN 0.249 nan 8.240 nan 0.000 0.504 1172 P HA 0.081 nan 4.420 nan 0.000 0.231 1172 P C 0.767 178.033 177.300 -0.057 0.000 1.158 1172 P CA 0.907 63.975 63.100 -0.052 0.000 0.763 1172 P CB 0.256 31.922 31.700 -0.056 0.000 0.805 1173 T N -3.078 111.442 114.554 -0.056 0.000 3.125 1173 T HA 0.086 4.436 4.350 -0.000 0.000 0.252 1173 T C 0.941 175.600 174.700 -0.068 0.000 0.981 1173 T CA 0.253 62.317 62.100 -0.059 0.000 1.069 1173 T CB -0.100 68.744 68.868 -0.040 0.000 1.091 1173 T HN 0.119 nan 8.240 nan 0.000 0.460 1174 S N 1.150 116.816 115.700 -0.057 0.000 2.719 1174 S HA 0.770 5.240 4.470 -0.000 0.000 0.285 1174 S C -0.477 174.075 174.600 -0.079 0.000 1.137 1174 S CA -0.750 57.420 58.200 -0.049 0.000 1.012 1174 S CB 1.419 64.602 63.200 -0.028 0.000 1.134 1174 S HN 0.445 nan 8.310 nan 0.000 0.544 1175 I N 0.676 121.214 120.570 -0.052 0.000 2.673 1175 I HA 0.213 4.383 4.170 -0.000 0.000 0.258 1175 I C -2.990 173.164 176.117 0.063 0.000 1.484 1175 I CA -1.282 59.963 61.300 -0.092 0.000 1.304 1175 I CB 1.715 39.697 38.000 -0.031 0.000 1.676 1175 I HN 0.608 nan 8.210 nan 0.000 0.403 1176 P HA 0.092 nan 4.420 nan 0.000 0.270 1176 P C -0.083 177.468 177.300 0.417 0.000 1.227 1176 P CA 0.162 63.375 63.100 0.189 0.000 0.788 1176 P CB 0.573 32.351 31.700 0.130 0.000 0.926 1177 S N -0.183 115.732 115.700 0.359 0.000 2.558 1177 S HA 0.074 4.544 4.470 -0.000 0.000 0.288 1177 S C 0.436 175.249 174.600 0.356 0.000 1.318 1177 S CA -0.563 57.849 58.200 0.354 0.000 1.056 1177 S CB -0.126 63.225 63.200 0.251 0.000 0.853 1177 S HN 0.227 nan 8.310 nan 0.000 0.505 1178 V N 6.344 126.390 119.914 0.220 0.000 2.572 1178 V HA 0.228 4.348 4.120 -0.000 0.000 0.291 1178 V C -1.712 174.274 176.094 -0.179 0.000 1.039 1178 V CA -1.255 60.835 62.300 -0.349 0.000 1.055 1178 V CB 0.433 31.966 31.823 -0.484 0.000 0.969 1178 V HN 0.697 nan 8.190 nan 0.000 0.482 1179 P HA 0.455 nan 4.420 nan 0.000 0.301 1179 P C -1.305 175.820 177.300 -0.293 0.000 1.338 1179 P CA -0.398 62.650 63.100 -0.087 0.000 0.834 1179 P CB 0.946 32.631 31.700 -0.025 0.000 0.967 1180 F N 2.207 122.219 119.950 0.103 0.000 2.508 1180 F HA 0.531 5.058 4.527 0.000 0.000 0.325 1180 F C 0.882 176.730 175.800 0.080 0.000 1.090 1180 F CA -0.988 57.037 58.000 0.042 0.000 0.945 1180 F CB 2.328 41.338 39.000 0.017 0.000 1.156 1180 F HN 0.142 nan 8.300 nan 0.000 0.463 1181 M N 5.566 125.281 119.600 0.193 0.000 2.036 1181 M HA 0.571 5.051 4.480 -0.000 0.000 0.337 1181 M C -1.502 174.909 176.300 0.184 0.000 1.012 1181 M CA -0.729 54.653 55.300 0.136 0.000 0.962 1181 M CB 0.523 33.091 32.600 -0.052 0.000 1.423 1181 M HN 0.470 nan 8.290 nan 0.000 0.405 1182 V N 3.729 123.677 119.914 0.056 0.000 2.630 1182 V HA 0.846 4.966 4.120 -0.000 0.000 0.305 1182 V C -2.742 173.160 176.094 -0.320 0.000 1.046 1182 V CA -1.941 60.273 62.300 -0.144 0.000 0.934 1182 V CB 1.262 32.770 31.823 -0.524 0.000 1.003 1182 V HN 0.686 nan 8.190 nan 0.000 0.451 1183 P HA 0.424 nan 4.420 nan 0.000 0.282 1183 P C -0.421 176.711 177.300 -0.281 0.000 1.249 1183 P CA -0.370 62.271 63.100 -0.766 0.000 0.806 1183 P CB 1.280 32.643 31.700 -0.562 0.000 0.984 1184 I N 1.966 122.409 120.570 -0.212 0.000 2.379 1184 I HA 0.036 4.206 4.170 -0.000 0.000 0.290 1184 I C 0.992 177.079 176.117 -0.050 0.000 1.063 1184 I CA 0.015 61.325 61.300 0.016 0.000 1.351 1184 I CB 0.194 38.195 38.000 0.002 0.000 1.410 1184 I HN 0.275 nan 8.210 nan 0.000 0.505 1185 S N 4.438 120.134 115.700 -0.007 0.000 2.573 1185 S HA 0.143 4.613 4.470 -0.000 0.000 0.277 1185 S C 0.145 174.712 174.600 -0.055 0.000 1.346 1185 S CA -0.386 57.791 58.200 -0.039 0.000 1.034 1185 S CB 0.986 64.174 63.200 -0.020 0.000 0.879 1185 S HN 0.733 nan 8.310 nan 0.000 0.528 1186 S N 0.406 116.057 115.700 -0.082 0.000 2.541 1186 S HA 0.322 4.792 4.470 -0.000 0.000 0.280 1186 S C -0.418 174.143 174.600 -0.064 0.000 1.112 1186 S CA -0.884 57.253 58.200 -0.104 0.000 0.925 1186 S CB 1.193 64.219 63.200 -0.291 0.000 1.067 1186 S HN 0.746 nan 8.310 nan 0.000 0.479 1187 D N 2.803 123.249 120.400 0.077 0.000 2.352 1187 D HA 0.103 4.743 4.640 -0.000 0.000 0.236 1187 D C 0.202 176.626 176.300 0.206 0.000 1.148 1187 D CA 0.024 54.095 54.000 0.117 0.000 0.844 1187 D CB -0.469 40.401 40.800 0.116 0.000 0.933 1187 D HN 0.736 nan 8.370 nan 0.000 0.507 1188 H N -2.246 116.817 119.070 -0.012 0.000 3.060 1188 H HA 0.189 4.745 4.556 -0.000 0.000 0.330 1188 H C -1.222 174.102 175.328 -0.006 0.000 1.305 1188 H CA -0.784 55.259 56.048 -0.008 0.000 1.209 1188 H CB -0.011 29.747 29.762 -0.007 0.000 1.913 1188 H HN -0.245 nan 8.280 nan 0.000 0.534 1189 D N 2.621 123.028 120.400 0.011 0.000 2.583 1189 D HA 0.179 4.819 4.640 -0.000 0.000 0.232 1189 D C 0.953 177.209 176.300 -0.074 0.000 1.128 1189 D CA 1.006 54.986 54.000 -0.033 0.000 0.859 1189 D CB 0.992 41.805 40.800 0.021 0.000 1.169 1189 D HN 0.516 nan 8.370 nan 0.000 0.481 1190 I N -2.290 118.220 120.570 -0.100 0.000 2.994 1190 I HA 0.395 4.565 4.170 -0.000 0.000 0.306 1190 I C -0.009 176.084 176.117 -0.039 0.000 1.195 1190 I CA -1.062 60.188 61.300 -0.084 0.000 1.001 1190 I CB 2.146 40.051 38.000 -0.158 0.000 1.244 1190 I HN 0.203 nan 8.210 nan 0.000 0.437 1191 S N 2.502 118.193 115.700 -0.015 0.000 2.614 1191 S HA 0.605 5.075 4.470 -0.000 0.000 0.265 1191 S C 0.127 174.721 174.600 -0.010 0.000 1.303 1191 S CA -0.401 57.796 58.200 -0.004 0.000 1.000 1191 S CB 1.037 64.242 63.200 0.009 0.000 0.935 1191 S HN 0.847 nan 8.310 nan 0.000 0.551 1192 S N -0.048 115.649 115.700 -0.005 0.000 2.621 1192 S HA 0.914 5.384 4.470 -0.000 0.000 0.302 1192 S C -0.526 174.077 174.600 0.006 0.000 1.093 1192 S CA -0.730 57.466 58.200 -0.007 0.000 1.017 1192 S CB 1.387 64.578 63.200 -0.014 0.000 1.077 1192 S HN 1.585 nan 8.310 nan 0.000 0.517 1193 A N 1.432 124.259 122.820 0.010 0.000 2.566 1193 A HA 0.779 5.099 4.320 -0.000 0.000 0.297 1193 A C -3.109 174.488 177.584 0.021 0.000 1.059 1193 A CA -1.610 50.448 52.037 0.034 0.000 0.691 1193 A CB 0.635 19.675 19.000 0.066 0.000 1.282 1193 A HN 0.663 nan 8.150 nan 0.000 0.401 1194 P HA 0.320 nan 4.420 nan 0.000 0.266 1194 P C -0.285 176.950 177.300 -0.108 0.000 1.186 1194 P CA 0.502 63.597 63.100 -0.008 0.000 0.767 1194 P CB 0.707 32.461 31.700 0.089 0.000 0.820 1195 A N 2.400 125.108 122.820 -0.187 0.000 2.456 1195 A HA 0.481 4.801 4.320 -0.000 0.000 0.288 1195 A C -0.906 176.500 177.584 -0.296 0.000 1.042 1195 A CA -0.612 51.236 52.037 -0.314 0.000 0.738 1195 A CB 1.212 20.070 19.000 -0.236 0.000 1.266 1195 A HN 0.240 nan 8.150 nan 0.000 0.407 1196 V N 3.381 123.092 119.914 -0.338 0.000 2.350 1196 V HA 0.407 4.527 4.120 -0.000 0.000 0.276 1196 V C 0.071 176.034 176.094 -0.219 0.000 1.028 1196 V CA -0.270 61.884 62.300 -0.243 0.000 0.860 1196 V CB 0.806 32.548 31.823 -0.135 0.000 0.990 1196 V HN 0.923 nan 8.190 nan 0.000 0.453 1197 Q N 2.752 122.393 119.800 -0.265 0.000 2.297 1197 Q HA 0.549 4.889 4.340 -0.000 0.000 0.268 1197 Q C -0.933 174.889 176.000 -0.298 0.000 1.045 1197 Q CA -0.638 55.066 55.803 -0.166 0.000 0.861 1197 Q CB 2.470 31.149 28.738 -0.099 0.000 1.344 1197 Q HN 0.764 nan 8.270 nan 0.000 0.452 1198 Y N -0.709 119.580 120.300 -0.018 0.000 2.476 1198 Y HA 0.388 4.938 4.550 -0.000 0.000 0.261 1198 Y C 0.025 175.873 175.900 -0.087 0.000 1.077 1198 Y CA 0.026 58.127 58.100 0.002 0.000 1.240 1198 Y CB 1.431 39.937 38.460 0.077 0.000 1.317 1198 Y HN 0.365 nan 8.280 nan 0.000 0.540 1199 I N 2.560 123.113 120.570 -0.028 0.000 2.478 1199 I HA 0.420 4.590 4.170 -0.000 0.000 0.287 1199 I C -0.876 175.193 176.117 -0.079 0.000 1.042 1199 I CA -0.953 60.227 61.300 -0.200 0.000 1.067 1199 I CB 1.947 39.624 38.000 -0.537 0.000 1.233 1199 I HN -0.040 nan 8.210 nan 0.000 0.431 1200 I N 1.742 122.319 120.570 0.012 0.000 2.934 1200 I HA 0.632 4.802 4.170 -0.000 0.000 0.306 1200 I C -0.237 176.008 176.117 0.213 0.000 1.110 1200 I CA -0.570 60.855 61.300 0.209 0.000 1.019 1200 I CB 2.188 40.276 38.000 0.146 0.000 1.227 1200 I HN 0.436 nan 8.210 nan 0.000 0.434 1201 S N 0.784 116.645 115.700 0.267 0.000 2.655 1201 S HA 0.406 4.876 4.470 -0.000 0.000 0.265 1201 S C 0.876 175.490 174.600 0.024 0.000 1.240 1201 S CA 0.280 58.575 58.200 0.159 0.000 0.986 1201 S CB 0.884 64.097 63.200 0.020 0.000 0.985 1201 S HN 0.894 nan 8.310 nan 0.000 0.562 1202 T N -1.075 113.482 114.554 0.006 0.000 3.085 1202 T HA 0.382 4.732 4.350 -0.000 0.000 0.264 1202 T C -0.155 174.518 174.700 -0.044 0.000 1.019 1202 T CA -0.239 61.832 62.100 -0.049 0.000 0.910 1202 T CB -0.564 68.267 68.868 -0.061 0.000 1.059 1202 T HN 0.794 nan 8.240 nan 0.000 0.542 1203 E N -0.352 119.829 120.200 -0.032 0.000 2.392 1203 E HA 0.278 4.628 4.350 -0.000 0.000 0.281 1203 E C -1.542 175.061 176.600 0.004 0.000 1.088 1203 E CA -1.289 55.102 56.400 -0.015 0.000 0.850 1203 E CB 0.125 29.809 29.700 -0.026 0.000 1.267 1203 E HN 0.018 nan 8.360 nan 0.000 0.438 1204 Y N 1.842 122.090 120.300 -0.088 0.000 2.904 1204 Y HA -0.004 4.546 4.550 -0.000 0.000 0.336 1204 Y C 0.298 176.140 175.900 -0.096 0.000 1.263 1204 Y CA 1.086 59.130 58.100 -0.092 0.000 1.547 1204 Y CB 0.307 38.721 38.460 -0.077 0.000 1.272 1204 Y HN 0.655 nan 8.280 nan 0.000 0.596 1205 N N 3.038 121.296 118.700 -0.736 0.000 1.938 1205 N HA -0.059 4.681 4.740 -0.000 0.000 0.225 1205 N C -0.482 174.552 175.510 -0.793 0.000 1.400 1205 N CA 0.095 52.761 53.050 -0.640 0.000 0.772 1205 N CB 0.311 38.467 38.487 -0.551 0.000 1.124 1205 N HN 0.655 nan 8.380 nan 0.000 0.513 1206 D N 1.124 120.853 120.400 -1.118 0.000 2.413 1206 D HA 0.098 4.738 4.640 -0.000 0.000 0.237 1206 D C 1.602 177.607 176.300 -0.492 0.000 1.171 1206 D CA 0.005 53.605 54.000 -0.666 0.000 0.839 1206 D CB 0.209 40.769 40.800 -0.401 0.000 0.950 1206 D HN 0.189 nan 8.370 nan 0.000 0.499 1207 R N -0.138 120.057 120.500 -0.508 0.000 2.189 1207 R HA -0.098 4.242 4.340 -0.000 0.000 0.223 1207 R C 1.781 178.065 176.300 -0.026 0.000 1.092 1207 R CA 1.328 57.366 56.100 -0.103 0.000 0.989 1207 R CB 0.135 30.396 30.300 -0.065 0.000 0.876 1207 R HN 0.082 nan 8.270 nan 0.000 0.457 1208 S N 0.127 115.808 115.700 -0.032 0.000 2.555 1208 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 1208 S C 0.696 175.339 174.600 0.072 0.000 0.978 1208 S CA -0.127 58.098 58.200 0.042 0.000 0.934 1208 S CB -0.163 63.092 63.200 0.092 0.000 0.766 1208 S HN 0.216 nan 8.310 nan 0.000 0.533 1209 L N 2.085 123.339 121.223 0.051 0.000 2.456 1209 L HA 0.365 4.705 4.340 -0.000 0.000 0.277 1209 L C 0.564 177.491 176.870 0.095 0.000 1.124 1209 L CA -0.429 54.456 54.840 0.075 0.000 0.880 1209 L CB -0.262 41.828 42.059 0.051 0.000 1.192 1209 L HN 0.201 nan 8.230 nan 0.000 0.463 1210 F N 4.963 124.877 119.950 -0.061 0.000 2.220 1210 F HA 0.202 4.729 4.527 -0.000 0.000 0.290 1210 F C 0.794 176.504 175.800 -0.150 0.000 1.080 1210 F CA 0.358 58.292 58.000 -0.110 0.000 1.318 1210 F CB 0.364 39.287 39.000 -0.127 0.000 1.063 1210 F HN 0.564 nan 8.300 nan 0.000 0.498 1211 C N 0.763 120.009 119.300 -0.089 0.000 3.254 1211 C HA 0.461 4.921 4.460 -0.000 0.000 0.405 1211 C C -0.759 174.161 174.990 -0.117 0.000 1.027 1211 C CA -0.254 58.629 59.018 -0.224 0.000 1.192 1211 C CB 0.214 27.741 27.740 -0.355 0.000 1.567 1211 C HN 0.527 nan 8.230 nan 0.000 0.582 1212 T N 2.460 116.916 114.554 -0.163 0.000 2.794 1212 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 1212 T C 0.336 174.959 174.700 -0.128 0.000 0.987 1212 T CA -0.230 61.800 62.100 -0.116 0.000 0.993 1212 T CB 0.972 69.780 68.868 -0.100 0.000 0.939 1212 T HN 1.011 nan 8.240 nan 0.000 0.449 1213 N N 1.338 119.992 118.700 -0.077 0.000 2.708 1213 N HA -0.263 4.477 4.740 -0.000 0.000 0.249 1213 N C 1.459 176.932 175.510 -0.061 0.000 1.097 1213 N CA 1.035 54.052 53.050 -0.055 0.000 0.710 1213 N CB -1.790 36.669 38.487 -0.046 0.000 1.032 1213 N HN 1.015 nan 8.380 nan 0.000 0.551 1214 S N -0.450 115.212 115.700 -0.064 0.000 2.422 1214 S HA -0.303 4.167 4.470 -0.000 0.000 0.241 1214 S C 1.817 176.410 174.600 -0.012 0.000 1.076 1214 S CA 1.966 60.136 58.200 -0.049 0.000 1.066 1214 S CB -0.550 62.650 63.200 0.000 0.000 0.890 1214 S HN 0.672 nan 8.310 nan 0.000 0.465 1215 S N -0.130 115.568 115.700 -0.004 0.000 2.575 1215 S HA 0.373 4.843 4.470 -0.000 0.000 0.215 1215 S C 0.554 175.153 174.600 -0.002 0.000 0.966 1215 S CA -0.284 57.919 58.200 0.005 0.000 0.911 1215 S CB -0.110 63.092 63.200 0.003 0.000 0.780 1215 S HN 0.430 nan 8.310 nan 0.000 0.514 1216 S N 2.802 118.497 115.700 -0.007 0.000 2.718 1216 S HA 0.475 4.945 4.470 -0.000 0.000 0.300 1216 S C -1.806 172.796 174.600 0.003 0.000 1.117 1216 S CA -1.414 56.785 58.200 -0.001 0.000 1.002 1216 S CB 1.604 64.807 63.200 0.005 0.000 1.092 1216 S HN 0.159 nan 8.310 nan 0.000 0.542 1217 P HA -0.097 nan 4.420 nan 0.000 0.219 1217 P C -0.167 177.158 177.300 0.042 0.000 1.150 1217 P CA 1.174 64.290 63.100 0.025 0.000 0.814 1217 P CB 0.091 31.805 31.700 0.022 0.000 0.787 1218 Q N -3.275 116.544 119.800 0.031 0.000 2.647 1218 Q HA 0.404 4.744 4.340 -0.000 0.000 0.283 1218 Q C -1.562 174.444 176.000 0.011 0.000 0.943 1218 Q CA -0.834 54.994 55.803 0.043 0.000 0.813 1218 Q CB 0.213 28.992 28.738 0.068 0.000 1.477 1218 Q HN -0.356 nan 8.270 nan 0.000 0.393 1219 T N 2.323 116.873 114.554 -0.008 0.000 2.743 1219 T HA 0.306 4.656 4.350 -0.000 0.000 0.293 1219 T C 0.848 175.545 174.700 -0.005 0.000 0.945 1219 T CA -0.464 61.622 62.100 -0.024 0.000 1.030 1219 T CB 0.376 69.209 68.868 -0.057 0.000 0.912 1219 T HN 0.464 nan 8.240 nan 0.000 0.483 1220 I N 1.771 122.333 120.570 -0.014 0.000 2.429 1220 I HA 0.230 4.400 4.170 -0.000 0.000 0.247 1220 I C 1.352 177.451 176.117 -0.031 0.000 1.099 1220 I CA 0.611 61.901 61.300 -0.016 0.000 1.422 1220 I CB -0.841 37.146 38.000 -0.021 0.000 1.112 1220 I HN 0.552 nan 8.210 nan 0.000 0.430 1221 A N -0.296 122.489 122.820 -0.059 0.000 2.435 1221 A HA 0.695 5.015 4.320 -0.000 0.000 0.304 1221 A C 0.181 177.729 177.584 -0.060 0.000 1.064 1221 A CA 0.133 52.135 52.037 -0.058 0.000 0.727 1221 A CB 1.493 20.442 19.000 -0.084 0.000 1.284 1221 A HN 0.592 nan 8.150 nan 0.000 0.415 1222 G N 1.095 109.869 108.800 -0.043 0.000 2.710 1222 G HA2 0.039 3.999 3.960 -0.000 0.000 0.668 1222 G HA3 0.039 3.999 3.960 -0.000 0.000 0.668 1222 G C -2.923 171.970 174.900 -0.011 0.000 1.320 1222 G CA -0.417 44.657 45.100 -0.043 0.000 0.860 1222 G HN 0.976 nan 8.290 nan 0.000 0.538 1223 P HA 0.284 nan 4.420 nan 0.000 0.263 1223 P C -0.853 176.448 177.300 0.002 0.000 1.195 1223 P CA 0.598 63.713 63.100 0.025 0.000 0.762 1223 P CB 0.999 32.725 31.700 0.043 0.000 0.799 1224 D N 2.954 123.357 120.400 0.005 0.000 2.392 1224 D HA 0.361 5.001 4.640 -0.000 0.000 0.228 1224 D C -0.674 175.611 176.300 -0.025 0.000 1.074 1224 D CA -0.536 53.449 54.000 -0.026 0.000 0.838 1224 D CB 0.668 41.484 40.800 0.026 0.000 1.067 1224 D HN -0.019 nan 8.370 nan 0.000 0.511 1225 K N 2.417 122.744 120.400 -0.122 0.000 2.378 1225 K HA 0.475 4.795 4.320 -0.000 0.000 0.252 1225 K C -1.764 174.658 176.600 -0.296 0.000 0.931 1225 K CA -0.660 55.562 56.287 -0.108 0.000 0.794 1225 K CB 0.869 33.318 32.500 -0.085 0.000 1.181 1225 K HN 0.462 nan 8.250 nan 0.000 0.425 1226 H N 2.566 121.540 119.070 -0.160 0.000 2.492 1226 H HA 0.431 4.987 4.556 -0.000 0.000 0.345 1226 H C -0.138 174.986 175.328 -0.339 0.000 1.136 1226 H CA -0.682 55.242 56.048 -0.207 0.000 1.202 1226 H CB 1.058 30.737 29.762 -0.138 0.000 1.524 1226 H HN 0.508 nan 8.280 nan 0.000 0.506 1227 I N 4.843 125.166 120.570 -0.412 0.000 3.148 1227 I HA -0.103 4.067 4.170 -0.000 0.000 0.317 1227 I C -1.658 174.172 176.117 -0.478 0.000 1.237 1227 I CA -0.623 60.209 61.300 -0.781 0.000 1.423 1227 I CB 0.134 37.552 38.000 -0.970 0.000 1.352 1227 I HN 0.413 nan 8.210 nan 0.000 0.526 1228 P HA -0.024 nan 4.420 nan 0.000 0.257 1228 P C 1.030 178.333 177.300 0.006 0.000 1.269 1228 P CA 0.132 63.132 63.100 -0.167 0.000 1.122 1228 P CB 0.526 32.149 31.700 -0.128 0.000 1.285 1229 V N 3.872 123.814 119.914 0.046 0.000 2.392 1229 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 1229 V C 2.331 178.538 176.094 0.189 0.000 1.059 1229 V CA 2.205 64.612 62.300 0.178 0.000 1.051 1229 V CB -1.083 30.810 31.823 0.117 0.000 0.658 1229 V HN 0.412 nan 8.190 nan 0.000 0.455 1230 E N 0.200 120.456 120.200 0.093 0.000 2.097 1230 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1230 E C 2.310 178.953 176.600 0.072 0.000 1.000 1230 E CA 1.304 57.741 56.400 0.061 0.000 0.804 1230 E CB -0.358 29.349 29.700 0.011 0.000 0.740 1230 E HN 0.509 nan 8.360 nan 0.000 0.454 1231 R N -0.101 120.447 120.500 0.081 0.000 2.193 1231 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 1231 R C 0.330 176.535 176.300 -0.158 0.000 1.110 1231 R CA 0.867 56.943 56.100 -0.039 0.000 0.988 1231 R CB -0.069 30.203 30.300 -0.047 0.000 0.871 1231 R HN 0.310 nan 8.270 nan 0.000 0.458 1232 Y N 0.250 120.646 120.300 0.161 0.000 2.635 1232 Y HA 0.143 4.693 4.550 -0.000 0.000 0.373 1232 Y C 0.968 176.965 175.900 0.161 0.000 1.000 1232 Y CA -0.863 57.373 58.100 0.227 0.000 1.219 1232 Y CB 0.034 38.715 38.460 0.368 0.000 1.294 1232 Y HN -0.070 nan 8.280 nan 0.000 0.612 1233 N N 2.031 120.844 118.700 0.187 0.000 2.039 1233 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 1233 N C 1.756 177.335 175.510 0.116 0.000 1.044 1233 N CA 2.086 55.213 53.050 0.128 0.000 0.847 1233 N CB -0.083 38.451 38.487 0.079 0.000 1.030 1233 N HN 0.651 nan 8.380 nan 0.000 0.422 1234 I N -1.991 118.659 120.570 0.133 0.000 3.164 1234 I HA -0.057 4.113 4.170 -0.000 0.000 0.278 1234 I C 1.270 177.420 176.117 0.054 0.000 1.320 1234 I CA 0.948 62.302 61.300 0.090 0.000 1.422 1234 I CB -0.171 37.892 38.000 0.106 0.000 1.066 1234 I HN 0.129 nan 8.210 nan 0.000 0.503 1235 L N 0.615 121.896 121.223 0.096 0.000 2.467 1235 L HA 0.050 4.390 4.340 -0.000 0.000 0.213 1235 L C 2.505 179.346 176.870 -0.049 0.000 1.053 1235 L CA 1.078 55.919 54.840 0.001 0.000 0.847 1235 L CB 0.093 42.145 42.059 -0.012 0.000 1.075 1235 L HN 0.396 nan 8.230 nan 0.000 0.479 1236 T N -3.859 110.703 114.554 0.013 0.000 3.065 1236 T HA 0.034 4.384 4.350 -0.000 0.000 0.252 1236 T C 0.621 175.318 174.700 -0.005 0.000 1.099 1236 T CA -0.038 62.053 62.100 -0.016 0.000 1.063 1236 T CB -0.159 68.740 68.868 0.051 0.000 0.948 1236 T HN 0.054 nan 8.240 nan 0.000 0.506 1237 N N 2.430 121.136 118.700 0.010 0.000 2.569 1237 N HA 0.353 5.093 4.740 -0.000 0.000 0.254 1237 N C -1.615 173.895 175.510 -0.001 0.000 1.004 1237 N CA -2.530 50.524 53.050 0.006 0.000 0.904 1237 N CB 2.059 40.557 38.487 0.019 0.000 1.165 1237 N HN -0.100 nan 8.380 nan 0.000 0.513 1238 P HA -0.117 nan 4.420 nan 0.000 0.216 1238 P C -0.095 177.206 177.300 0.001 0.000 1.150 1238 P CA 1.214 64.307 63.100 -0.011 0.000 0.843 1238 P CB 0.418 32.110 31.700 -0.013 0.000 0.787 1239 D N -0.153 120.250 120.400 0.005 0.000 2.352 1239 D HA 0.182 4.822 4.640 -0.000 0.000 0.232 1239 D C 0.687 176.998 176.300 0.018 0.000 1.055 1239 D CA 0.275 54.282 54.000 0.012 0.000 0.891 1239 D CB -0.344 40.462 40.800 0.010 0.000 0.897 1239 D HN 0.210 nan 8.370 nan 0.000 0.529 1240 A N 1.765 124.596 122.820 0.019 0.000 2.290 1240 A HA 0.500 4.820 4.320 -0.000 0.000 0.310 1240 A C -2.272 175.332 177.584 0.033 0.000 1.202 1240 A CA -1.310 50.744 52.037 0.027 0.000 0.837 1240 A CB 0.752 19.770 19.000 0.031 0.000 1.139 1240 A HN -0.096 nan 8.150 nan 0.000 0.509 1241 P HA 0.186 nan 4.420 nan 0.000 0.271 1241 P C -2.242 175.092 177.300 0.057 0.000 1.216 1241 P CA -1.155 61.978 63.100 0.055 0.000 0.776 1241 P CB 0.527 32.263 31.700 0.060 0.000 0.881 1242 P HA -0.155 nan 4.420 nan 0.000 0.217 1242 P C 1.145 178.490 177.300 0.075 0.000 1.151 1242 P CA 1.959 65.099 63.100 0.066 0.000 0.849 1242 P CB -0.482 31.168 31.700 -0.082 0.000 0.787 1243 T N -4.545 110.048 114.554 0.065 0.000 3.235 1243 T HA 0.091 4.441 4.350 -0.000 0.000 0.251 1243 T C 0.534 175.270 174.700 0.059 0.000 1.060 1243 T CA -0.325 61.813 62.100 0.062 0.000 0.949 1243 T CB -0.592 68.319 68.868 0.071 0.000 1.020 1243 T HN 0.115 nan 8.240 nan 0.000 0.564 1244 Q N 1.794 121.630 119.800 0.060 0.000 2.267 1244 Q HA 0.575 4.915 4.340 -0.000 0.000 0.255 1244 Q C -0.425 175.605 176.000 0.050 0.000 0.923 1244 Q CA -0.894 54.940 55.803 0.051 0.000 0.925 1244 Q CB 0.643 29.408 28.738 0.046 0.000 1.195 1244 Q HN 0.731 nan 8.270 nan 0.000 0.417 1245 I N -0.021 120.573 120.570 0.041 0.000 2.910 1245 I HA 0.369 4.539 4.170 -0.000 0.000 0.310 1245 I C -0.345 175.783 176.117 0.018 0.000 1.043 1245 I CA -0.795 60.526 61.300 0.036 0.000 1.053 1245 I CB 2.081 40.106 38.000 0.042 0.000 1.242 1245 I HN 0.603 nan 8.210 nan 0.000 0.452 1246 Q N 3.022 122.824 119.800 0.004 0.000 2.157 1246 Q HA 0.452 4.792 4.340 -0.000 0.000 0.229 1246 Q C -0.492 175.480 176.000 -0.046 0.000 0.827 1246 Q CA -0.382 55.408 55.803 -0.021 0.000 1.055 1246 Q CB 0.826 29.548 28.738 -0.027 0.000 1.157 1246 Q HN 0.589 nan 8.270 nan 0.000 0.482 1247 L N 3.033 124.241 121.223 -0.025 0.000 2.483 1247 L HA 0.071 4.411 4.340 -0.000 0.000 0.275 1247 L C -1.231 175.594 176.870 -0.074 0.000 1.220 1247 L CA -0.722 54.094 54.840 -0.039 0.000 0.833 1247 L CB 0.238 42.305 42.059 0.013 0.000 1.102 1247 L HN 0.054 nan 8.230 nan 0.000 0.490 1248 P HA 0.149 nan 4.420 nan 0.000 0.269 1248 P C 0.175 177.271 177.300 -0.340 0.000 1.478 1248 P CA 0.049 63.054 63.100 -0.157 0.000 1.045 1248 P CB 0.536 32.155 31.700 -0.136 0.000 1.512 1249 E N -0.637 119.333 120.200 -0.385 0.000 2.276 1249 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 1249 E C 0.194 176.652 176.600 -0.238 0.000 0.983 1249 E CA 0.481 56.568 56.400 -0.521 0.000 0.861 1249 E CB 0.479 29.932 29.700 -0.412 0.000 0.817 1249 E HN 0.023 nan 8.360 nan 0.000 0.485 1250 V N 1.487 121.310 119.914 -0.151 0.000 2.668 1250 V HA 0.171 4.291 4.120 -0.000 0.000 0.304 1250 V C -0.759 175.288 176.094 -0.078 0.000 1.071 1250 V CA -0.926 61.313 62.300 -0.101 0.000 0.894 1250 V CB 2.223 34.000 31.823 -0.077 0.000 1.008 1250 V HN -0.162 nan 8.190 nan 0.000 0.425 1251 V N 3.778 123.632 119.914 -0.100 0.000 2.389 1251 V HA 0.277 4.397 4.120 -0.000 0.000 0.264 1251 V C -0.088 175.937 176.094 -0.115 0.000 1.049 1251 V CA -0.495 61.746 62.300 -0.098 0.000 0.932 1251 V CB 0.899 32.596 31.823 -0.210 0.000 1.011 1251 V HN 0.876 nan 8.190 nan 0.000 0.475 1252 D N 4.388 124.752 120.400 -0.059 0.000 2.350 1252 D HA 0.321 4.961 4.640 -0.000 0.000 0.249 1252 D C 0.452 176.698 176.300 -0.090 0.000 1.119 1252 D CA -0.095 53.856 54.000 -0.082 0.000 0.886 1252 D CB 1.271 42.065 40.800 -0.010 0.000 1.195 1252 D HN 0.412 nan 8.370 nan 0.000 0.437 1253 L N 2.537 123.618 121.223 -0.237 0.000 2.978 1253 L HA 0.309 4.649 4.340 -0.000 0.000 0.239 1253 L C -0.837 176.065 176.870 0.053 0.000 1.293 1253 L CA -0.433 54.324 54.840 -0.139 0.000 1.085 1253 L CB -0.503 41.416 42.059 -0.234 0.000 1.432 1253 L HN 0.421 nan 8.230 nan 0.000 0.512 1254 Y N 0.469 120.744 120.300 -0.042 0.000 2.168 1254 Y HA 0.237 4.787 4.550 0.000 0.000 0.313 1254 Y C -1.436 174.540 175.900 0.127 0.000 1.290 1254 Y CA -1.306 56.858 58.100 0.106 0.000 1.410 1254 Y CB 0.513 39.105 38.460 0.221 0.000 1.306 1254 Y HN 0.247 nan 8.280 nan 0.000 0.384 1255 N N 1.882 120.512 118.700 -0.117 0.000 3.316 1255 N HA 0.664 5.404 4.740 -0.000 0.000 0.300 1255 N C -1.879 173.599 175.510 -0.052 0.000 1.567 1255 N CA -0.932 52.103 53.050 -0.024 0.000 0.821 1255 N CB 1.190 39.699 38.487 0.036 0.000 1.748 1255 N HN 0.137 nan 8.380 nan 0.000 0.603 1256 V N 0.937 120.842 119.914 -0.015 0.000 2.406 1256 V HA 0.444 4.564 4.120 -0.000 0.000 0.272 1256 V C -0.424 175.624 176.094 -0.076 0.000 1.043 1256 V CA -0.556 61.660 62.300 -0.140 0.000 0.915 1256 V CB 0.750 32.452 31.823 -0.203 0.000 0.988 1256 V HN 0.378 nan 8.190 nan 0.000 0.466 1257 V N 4.062 123.929 119.914 -0.079 0.000 2.459 1257 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 1257 V C 0.351 176.414 176.094 -0.052 0.000 1.029 1257 V CA -0.390 61.886 62.300 -0.039 0.000 0.874 1257 V CB 2.161 33.968 31.823 -0.027 0.000 0.985 1257 V HN 0.913 nan 8.190 nan 0.000 0.438 1258 T N 5.966 120.480 114.554 -0.068 0.000 2.767 1258 T HA 0.496 4.846 4.350 -0.000 0.000 0.288 1258 T C -0.074 174.485 174.700 -0.235 0.000 0.963 1258 T CA -0.414 61.570 62.100 -0.193 0.000 1.019 1258 T CB 0.390 69.080 68.868 -0.297 0.000 0.923 1258 T HN 0.526 nan 8.240 nan 0.000 0.468 1259 R N 2.411 122.760 120.500 -0.251 0.000 2.494 1259 R HA 0.542 4.882 4.340 -0.000 0.000 0.305 1259 R C -0.978 175.203 176.300 -0.198 0.000 0.959 1259 R CA -0.673 55.359 56.100 -0.115 0.000 0.864 1259 R CB 1.415 31.723 30.300 0.013 0.000 1.159 1259 R HN 0.570 nan 8.270 nan 0.000 0.446 1260 Y N 0.214 120.588 120.300 0.123 0.000 2.699 1260 Y HA 0.731 5.281 4.550 -0.000 0.000 0.326 1260 Y C 0.152 176.060 175.900 0.013 0.000 1.141 1260 Y CA -1.182 56.944 58.100 0.043 0.000 1.246 1260 Y CB 1.506 39.783 38.460 -0.305 0.000 1.426 1260 Y HN 0.589 nan 8.280 nan 0.000 0.559 1261 A N 0.583 123.465 122.820 0.103 0.000 2.626 1261 A HA 0.525 4.845 4.320 -0.000 0.000 0.293 1261 A C -1.836 175.832 177.584 0.141 0.000 1.111 1261 A CA -0.523 51.473 52.037 -0.067 0.000 0.874 1261 A CB -0.535 18.483 19.000 0.030 0.000 1.451 1261 A HN 0.741 nan 8.150 nan 0.000 0.396 1262 Y N 0.553 121.001 120.300 0.247 0.000 2.545 1262 Y HA 0.601 5.151 4.550 0.000 0.000 0.324 1262 Y C 0.715 176.726 175.900 0.185 0.000 1.220 1262 Y CA -0.953 57.315 58.100 0.280 0.000 1.290 1262 Y CB 1.445 40.141 38.460 0.394 0.000 1.355 1262 Y HN 0.589 nan 8.280 nan 0.000 0.516 1263 E N 0.351 120.761 120.200 0.350 0.000 2.187 1263 E HA 0.307 4.657 4.350 -0.000 0.000 0.268 1263 E C -1.358 175.350 176.600 0.182 0.000 0.896 1263 E CA -0.663 55.868 56.400 0.218 0.000 0.766 1263 E CB 1.820 31.622 29.700 0.171 0.000 1.142 1263 E HN 0.431 nan 8.360 nan 0.000 0.408 1264 T N 4.253 118.906 114.554 0.164 0.000 3.250 1264 T HA 0.271 4.621 4.350 -0.000 0.000 0.391 1264 T C -2.164 172.586 174.700 0.083 0.000 1.502 1264 T CA -1.225 60.951 62.100 0.127 0.000 1.320 1264 T CB 0.288 69.254 68.868 0.164 0.000 1.102 1264 T HN 0.325 nan 8.240 nan 0.000 0.610 1265 P HA 0.499 nan 4.420 nan 0.000 0.276 1265 P C -2.861 174.442 177.300 0.005 0.000 1.252 1265 P CA -1.469 61.640 63.100 0.015 0.000 0.802 1265 P CB 0.340 32.037 31.700 -0.005 0.000 1.035 1266 P HA 0.361 nan 4.420 nan 0.000 0.278 1266 P C -0.226 177.027 177.300 -0.078 0.000 1.266 1266 P CA -0.489 62.603 63.100 -0.014 0.000 0.807 1266 P CB 0.499 32.221 31.700 0.038 0.000 1.094 1267 I N 0.928 121.414 120.570 -0.140 0.000 2.396 1267 I HA 0.142 4.312 4.170 -0.000 0.000 0.289 1267 I C 0.390 176.451 176.117 -0.092 0.000 1.056 1267 I CA 0.022 61.184 61.300 -0.231 0.000 1.365 1267 I CB 0.244 37.952 38.000 -0.487 0.000 1.407 1267 I HN 0.307 nan 8.210 nan 0.000 0.509 1268 T N 3.687 118.183 114.554 -0.096 0.000 2.867 1268 T HA 0.794 5.144 4.350 -0.000 0.000 0.282 1268 T C -0.278 174.327 174.700 -0.159 0.000 1.000 1268 T CA -0.852 61.219 62.100 -0.048 0.000 1.042 1268 T CB 2.090 70.991 68.868 0.056 0.000 0.973 1268 T HN 0.700 nan 8.240 nan 0.000 0.465 1269 A N 1.967 124.612 122.820 -0.291 0.000 2.437 1269 A HA 0.642 4.962 4.320 -0.000 0.000 0.293 1269 A C -0.935 176.461 177.584 -0.312 0.000 1.038 1269 A CA -0.781 50.981 52.037 -0.457 0.000 0.708 1269 A CB 1.508 19.845 19.000 -1.106 0.000 1.251 1269 A HN 0.741 nan 8.150 nan 0.000 0.409 1270 V N 3.530 123.361 119.914 -0.138 0.000 2.311 1270 V HA 0.329 4.449 4.120 -0.000 0.000 0.275 1270 V C -0.091 175.995 176.094 -0.013 0.000 1.022 1270 V CA -0.462 61.806 62.300 -0.053 0.000 0.830 1270 V CB 1.221 33.031 31.823 -0.022 0.000 1.012 1270 V HN 0.661 nan 8.190 nan 0.000 0.452 1271 V N 6.676 126.604 119.914 0.023 0.000 2.461 1271 V HA 0.437 4.557 4.120 -0.000 0.000 0.275 1271 V C 0.261 176.451 176.094 0.160 0.000 1.047 1271 V CA -0.156 62.224 62.300 0.133 0.000 0.955 1271 V CB 1.212 33.206 31.823 0.286 0.000 0.988 1271 V HN 0.763 nan 8.190 nan 0.000 0.471 1272 M N 3.008 122.742 119.600 0.223 0.000 2.644 1272 M HA 0.623 5.103 4.480 -0.000 0.000 0.316 1272 M C 0.586 177.059 176.300 0.287 0.000 1.200 1272 M CA -0.307 55.144 55.300 0.252 0.000 0.944 1272 M CB 2.168 34.850 32.600 0.137 0.000 1.691 1272 M HN 0.783 nan 8.290 nan 0.000 0.471 1273 G N 0.624 109.552 108.800 0.213 0.000 2.462 1273 G HA2 0.613 4.573 3.960 -0.000 0.000 0.319 1273 G HA3 0.613 4.573 3.960 -0.000 0.000 0.319 1273 G C -1.205 173.681 174.900 -0.024 0.000 1.171 1273 G CA -0.477 44.602 45.100 -0.036 0.000 0.920 1273 G HN 0.507 nan 8.290 nan 0.000 0.499 1274 V N 2.457 122.337 119.914 -0.057 0.000 2.495 1274 V HA 0.420 4.540 4.120 -0.000 0.000 0.298 1274 V C -1.348 174.715 176.094 -0.052 0.000 1.031 1274 V CA -1.073 61.204 62.300 -0.039 0.000 0.871 1274 V CB 1.567 33.365 31.823 -0.042 0.000 0.988 1274 V HN 0.797 nan 8.190 nan 0.000 0.432 1275 P HA 0.000 nan 4.420 nan 0.000 0.216 1275 P CA 0.000 63.078 63.100 -0.036 0.000 0.800 1275 P CB 0.000 31.685 31.700 -0.025 0.000 0.726