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 3pt9_1_A DATA FIRST_RESID 730 DATA SEQUENCE SKDRISWLGQ PMKIEENRTY YQKVSIDEEM LEVGDCVSVI PDDSSKPLYL DATA SEQUENCE ARVTALWEDK NGQMMFHAHW FCAGTDTVLG ATSDPLELFL VGECENMQLS DATA SEQUENCE YIHSKVKVIY KAPSENWAME GXXXXXXXXX XXXXXKTYFF QLWYNQEYAR DATA SEQUENCE FESPPKTQPT EDNKHKFCLS CIRLAELRQK EMPKVLEQIE EVDGRVYCSS DATA SEQUENCE ITKNGVVYRL GDSVYLPPEA FTFNIKVASP VKRPKKDPVN ETLYPEHYRK DATA SEQUENCE YSXXXXXXXL DAPEPYRIGR IKEIHCGKKK GKVNEADIKL RLYKFYRPEN DATA SEQUENCE THRSYNGSYH TDINMLYWSD EEAVVNFSDV QGRCTVEYGE DLLESIQDYS DATA SEQUENCE QGGPDRFYFL EAYNSKTKNF EDPPNHARSP GXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXIKL PKLRTLDVFS GCGGLSEGFH QAGISETLWA IEMWDPAAQA DATA SEQUENCE FRLNNPGTTV FTEDCNVLLK LVMAGEVTNS LGQRLPQKGD VEMLCGGPPC DATA SEQUENCE QGFSGMNRFN SRTYSKFKNS LVVSFLSYCD YYRPRFFLLE NVRNFVSYRR DATA SEQUENCE SMVLKLTLRC LVRMGYQCTF GVLQAGQYGV AQTRRRAIIL AAAPGEKLPL DATA SEQUENCE FPEPLHVFAP RACQLSVVVD DKKFVSNITR LSSGPFRTIT VRDTMSDLPE DATA SEQUENCE IQNGASNSEI PYNGEPLSWF QRQLRGSHYQ PILRDHICKD MSPLVAARMR DATA SEQUENCE HIPLFPGSDW RDLPNIQVRL GDGVIAHKLQ YTFHDVKNGY SSTGALRGVC DATA SEQUENCE SCAEGKACDP ESRQFSTLIP WCLPHTGNRH NHWAGLYGRL EWDGFFSTTV DATA SEQUENCE TNPEPMGKQG RVLHPEQHRV VSVRECARSQ GFPDSYRFFG NILDRHRQVG DATA SEQUENCE NAVPPPLAKA IGLEIKLCLL S 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 730 S HA 0.000 nan 4.470 nan 0.000 0.327 730 S C 0.000 174.595 174.600 -0.009 0.000 1.055 730 S CA 0.000 58.232 58.200 0.053 0.000 1.107 730 S CB 0.000 63.220 63.200 0.034 0.000 0.593 731 K N 1.590 121.962 120.400 -0.048 0.000 2.426 731 K HA 0.632 4.763 4.320 -0.316 0.000 0.254 731 K C -0.506 176.035 176.600 -0.098 0.000 0.936 731 K CA -0.541 55.699 56.287 -0.078 0.000 0.801 731 K CB 1.583 34.026 32.500 -0.096 0.000 1.139 731 K HN 0.639 nan 8.250 nan 0.000 0.424 732 D N 1.689 122.034 120.400 -0.092 0.000 2.463 732 D HA 0.059 4.510 4.640 -0.316 0.000 0.237 732 D C -0.215 176.020 176.300 -0.108 0.000 1.013 732 D CA 0.428 54.372 54.000 -0.094 0.000 0.910 732 D CB 0.650 41.408 40.800 -0.071 0.000 1.080 732 D HN 0.258 nan 8.370 nan 0.000 0.498 733 R N 1.308 121.743 120.500 -0.108 0.000 2.755 733 R HA 0.420 4.571 4.340 -0.316 0.000 0.268 733 R C -0.366 175.839 176.300 -0.158 0.000 1.295 733 R CA -0.047 55.982 56.100 -0.117 0.000 1.379 733 R CB 0.625 30.870 30.300 -0.091 0.000 1.170 733 R HN 0.002 nan 8.270 nan 0.000 0.584 734 I N 1.676 122.121 120.570 -0.209 0.000 2.359 734 I HA 0.333 4.313 4.170 -0.316 0.000 0.284 734 I C 0.177 176.046 176.117 -0.413 0.000 1.018 734 I CA -0.014 61.100 61.300 -0.310 0.000 1.173 734 I CB 1.671 39.466 38.000 -0.342 0.000 1.326 734 I HN 0.514 nan 8.210 nan 0.000 0.462 735 S N 5.500 120.952 115.700 -0.413 0.000 2.547 735 S HA 0.618 4.898 4.470 -0.316 0.000 0.281 735 S C -0.889 173.456 174.600 -0.425 0.000 1.118 735 S CA -0.685 57.260 58.200 -0.424 0.000 0.947 735 S CB 0.731 63.807 63.200 -0.207 0.000 1.053 735 S HN 0.468 nan 8.310 nan 0.000 0.482 736 W N 1.378 122.519 121.300 -0.265 0.000 2.079 736 W HA 0.576 5.047 4.660 -0.316 0.000 0.354 736 W C -0.050 176.359 176.519 -0.185 0.000 1.302 736 W CA -0.424 56.688 57.345 -0.388 0.000 1.281 736 W CB 0.405 29.290 29.460 -0.959 0.000 1.165 736 W HN 0.462 nan 8.180 nan 0.000 0.603 737 L N 2.076 123.423 121.223 0.208 0.000 2.408 737 L HA 0.757 4.907 4.340 -0.316 0.000 0.268 737 L C 0.583 177.585 176.870 0.222 0.000 0.986 737 L CA -0.832 54.108 54.840 0.165 0.000 0.820 737 L CB 1.398 43.531 42.059 0.123 0.000 1.303 737 L HN 0.800 nan 8.230 nan 0.000 0.411 738 G N 1.834 110.740 108.800 0.176 0.000 2.855 738 G HA2 -0.157 3.613 3.960 -0.316 0.000 0.352 738 G HA3 -0.157 3.613 3.960 -0.316 0.000 0.352 738 G C -0.747 174.278 174.900 0.208 0.000 1.415 738 G CA -0.815 44.385 45.100 0.166 0.000 0.871 738 G HN 0.485 nan 8.290 nan 0.000 0.543 739 Q N 0.277 120.156 119.800 0.132 0.000 2.352 739 Q HA 0.349 4.499 4.340 -0.316 0.000 0.260 739 Q C -1.860 174.152 176.000 0.020 0.000 0.976 739 Q CA -1.101 54.752 55.803 0.084 0.000 0.881 739 Q CB 0.171 28.928 28.738 0.033 0.000 1.235 739 Q HN 0.415 nan 8.270 nan 0.000 0.419 740 P HA -0.002 nan 4.420 nan 0.000 0.265 740 P C 0.590 177.739 177.300 -0.252 0.000 1.187 740 P CA 0.362 63.160 63.100 -0.502 0.000 0.766 740 P CB 0.537 31.878 31.700 -0.599 0.000 0.820 741 M N 1.092 120.561 119.600 -0.217 0.000 2.156 741 M HA -0.067 4.224 4.480 -0.316 0.000 0.264 741 M C 0.697 176.876 176.300 -0.202 0.000 1.067 741 M CA 1.844 57.069 55.300 -0.124 0.000 1.131 741 M CB 0.037 32.616 32.600 -0.034 0.000 1.368 741 M HN 0.303 nan 8.290 nan 0.000 0.416 742 K N 0.122 120.373 120.400 -0.248 0.000 2.562 742 K HA 0.457 4.587 4.320 -0.316 0.000 0.267 742 K C -1.621 174.891 176.600 -0.146 0.000 0.938 742 K CA -0.381 55.747 56.287 -0.266 0.000 0.840 742 K CB 2.523 34.682 32.500 -0.570 0.000 1.390 742 K HN 0.010 nan 8.250 nan 0.000 0.428 743 I N 2.709 123.203 120.570 -0.127 0.000 2.428 743 I HA 0.209 4.189 4.170 -0.316 0.000 0.279 743 I C 0.157 176.243 176.117 -0.052 0.000 1.040 743 I CA -0.652 60.591 61.300 -0.095 0.000 1.171 743 I CB 1.383 39.319 38.000 -0.107 0.000 1.312 743 I HN 0.504 nan 8.210 nan 0.000 0.470 744 E N 3.055 123.251 120.200 -0.006 0.000 2.585 744 E HA 0.018 4.178 4.350 -0.316 0.000 0.256 744 E C 0.877 177.462 176.600 -0.026 0.000 1.383 744 E CA 0.266 56.666 56.400 -0.001 0.000 1.029 744 E CB 0.741 30.467 29.700 0.042 0.000 1.044 744 E HN 0.430 nan 8.360 nan 0.000 0.595 745 E N -0.290 119.897 120.200 -0.021 0.000 2.107 745 E HA -0.090 4.071 4.350 -0.316 0.000 0.191 745 E C 0.852 177.442 176.600 -0.017 0.000 0.982 745 E CA 1.368 57.757 56.400 -0.018 0.000 0.809 745 E CB 0.007 29.699 29.700 -0.013 0.000 0.756 745 E HN 0.377 nan 8.360 nan 0.000 0.459 746 N N -0.873 117.812 118.700 -0.026 0.000 2.250 746 N HA 0.178 4.728 4.740 -0.316 0.000 0.190 746 N C -0.331 175.163 175.510 -0.025 0.000 1.116 746 N CA -0.041 53.000 53.050 -0.016 0.000 0.881 746 N CB 0.733 39.212 38.487 -0.013 0.000 1.006 746 N HN -0.160 nan 8.380 nan 0.000 0.491 747 R N 0.182 120.625 120.500 -0.095 0.000 2.686 747 R HA 0.393 4.544 4.340 -0.316 0.000 0.283 747 R C -1.027 175.141 176.300 -0.220 0.000 0.978 747 R CA -0.683 55.303 56.100 -0.190 0.000 0.897 747 R CB 1.917 31.843 30.300 -0.624 0.000 1.192 747 R HN -0.006 nan 8.270 nan 0.000 0.457 748 T N -0.544 113.890 114.554 -0.199 0.000 2.791 748 T HA 0.433 4.593 4.350 -0.316 0.000 0.288 748 T C -0.659 173.783 174.700 -0.431 0.000 0.999 748 T CA -0.627 61.301 62.100 -0.286 0.000 0.952 748 T CB 0.349 69.065 68.868 -0.253 0.000 0.938 748 T HN 0.330 nan 8.240 nan 0.000 0.444 749 Y N 2.521 122.620 120.300 -0.335 0.000 2.299 749 Y HA 0.555 4.915 4.550 -0.316 0.000 0.326 749 Y C -0.114 175.458 175.900 -0.546 0.000 1.164 749 Y CA -0.595 57.366 58.100 -0.232 0.000 1.234 749 Y CB 0.964 39.362 38.460 -0.103 0.000 1.219 749 Y HN 0.636 nan 8.280 nan 0.000 0.497 750 Y N 0.045 120.311 120.300 -0.056 0.000 2.536 750 Y HA 0.218 4.578 4.550 -0.316 0.000 0.347 750 Y C 0.947 176.920 175.900 0.123 0.000 1.000 750 Y CA -0.994 57.059 58.100 -0.078 0.000 1.051 750 Y CB 1.895 40.169 38.460 -0.311 0.000 1.259 750 Y HN 0.541 nan 8.280 nan 0.000 0.468 751 Q N 0.956 120.929 119.800 0.289 0.000 2.297 751 Q HA 0.152 4.303 4.340 -0.316 0.000 0.203 751 Q C -0.641 175.512 176.000 0.255 0.000 0.931 751 Q CA 1.000 56.947 55.803 0.240 0.000 0.885 751 Q CB 0.530 29.369 28.738 0.167 0.000 0.991 751 Q HN 0.657 nan 8.270 nan 0.000 0.498 752 K N -0.074 120.499 120.400 0.289 0.000 2.426 752 K HA 0.526 4.656 4.320 -0.316 0.000 0.251 752 K C -1.580 175.204 176.600 0.307 0.000 0.941 752 K CA -0.513 55.920 56.287 0.243 0.000 0.808 752 K CB 3.035 35.636 32.500 0.168 0.000 1.265 752 K HN -0.128 nan 8.250 nan 0.000 0.432 753 V N 0.567 120.600 119.914 0.199 0.000 2.962 753 V HA 0.479 4.410 4.120 -0.316 0.000 0.313 753 V C -1.310 174.763 176.094 -0.035 0.000 1.099 753 V CA -0.488 61.857 62.300 0.075 0.000 0.971 753 V CB 2.241 34.035 31.823 -0.049 0.000 1.028 753 V HN 0.817 nan 8.190 nan 0.000 0.430 754 S N 6.283 121.917 115.700 -0.111 0.000 2.422 754 S HA 0.603 4.883 4.470 -0.316 0.000 0.308 754 S C -0.545 173.963 174.600 -0.153 0.000 1.097 754 S CA -0.704 57.435 58.200 -0.102 0.000 1.099 754 S CB 0.204 63.355 63.200 -0.081 0.000 0.976 754 S HN 0.769 nan 8.310 nan 0.000 0.471 755 I N 1.393 121.886 120.570 -0.127 0.000 2.355 755 I HA 0.540 4.520 4.170 -0.316 0.000 0.288 755 I C -0.710 175.344 176.117 -0.104 0.000 0.999 755 I CA -0.693 60.524 61.300 -0.138 0.000 1.163 755 I CB 1.085 38.999 38.000 -0.144 0.000 1.316 755 I HN 0.408 nan 8.210 nan 0.000 0.454 756 D N 4.333 124.672 120.400 -0.102 0.000 2.692 756 D HA -0.215 4.235 4.640 -0.316 0.000 0.233 756 D C 0.421 176.682 176.300 -0.065 0.000 1.172 756 D CA 1.533 55.485 54.000 -0.079 0.000 0.636 756 D CB -0.615 40.141 40.800 -0.073 0.000 1.028 756 D HN 0.943 nan 8.370 nan 0.000 0.419 757 E N -1.974 118.188 120.200 -0.065 0.000 3.413 757 E HA -0.260 3.900 4.350 -0.316 0.000 0.300 757 E C 0.120 176.695 176.600 -0.042 0.000 0.891 757 E CA 1.421 57.792 56.400 -0.048 0.000 1.050 757 E CB -1.077 28.599 29.700 -0.039 0.000 1.534 757 E HN 0.739 nan 8.360 nan 0.000 0.436 758 E N 0.202 120.372 120.200 -0.050 0.000 2.176 758 E HA 0.281 4.442 4.350 -0.316 0.000 0.267 758 E C -0.297 176.282 176.600 -0.036 0.000 0.893 758 E CA -0.827 55.549 56.400 -0.040 0.000 0.761 758 E CB 0.704 30.377 29.700 -0.045 0.000 1.133 758 E HN -0.009 nan 8.360 nan 0.000 0.409 759 M N 4.890 124.481 119.600 -0.015 0.000 2.252 759 M HA 0.136 4.426 4.480 -0.316 0.000 0.348 759 M C -1.359 174.942 176.300 0.003 0.000 1.334 759 M CA 0.111 55.412 55.300 0.001 0.000 1.071 759 M CB 0.195 32.806 32.600 0.017 0.000 1.763 759 M HN 0.547 nan 8.290 nan 0.000 0.452 760 L N 4.983 126.214 121.223 0.014 0.000 2.422 760 L HA 0.560 4.711 4.340 -0.316 0.000 0.264 760 L C -1.143 175.770 176.870 0.071 0.000 0.984 760 L CA -0.162 54.689 54.840 0.018 0.000 0.819 760 L CB 2.137 44.178 42.059 -0.030 0.000 1.330 760 L HN 0.823 nan 8.230 nan 0.000 0.410 761 E N 2.035 122.284 120.200 0.082 0.000 2.340 761 E HA 0.531 4.691 4.350 -0.316 0.000 0.273 761 E C -1.335 175.347 176.600 0.137 0.000 0.891 761 E CA -1.014 55.457 56.400 0.118 0.000 0.757 761 E CB 2.347 32.108 29.700 0.101 0.000 1.231 761 E HN 0.618 nan 8.360 nan 0.000 0.439 762 V N 2.564 122.582 119.914 0.172 0.000 2.599 762 V HA 0.502 4.432 4.120 -0.316 0.000 0.300 762 V C 0.748 176.935 176.094 0.155 0.000 1.034 762 V CA 1.517 63.930 62.300 0.187 0.000 1.115 762 V CB 0.140 32.091 31.823 0.214 0.000 0.934 762 V HN 0.992 nan 8.190 nan 0.000 0.485 763 G N 3.803 112.696 108.800 0.156 0.000 2.278 763 G HA2 -0.186 3.584 3.960 -0.316 0.000 0.210 763 G HA3 -0.186 3.584 3.960 -0.316 0.000 0.210 763 G C -0.061 174.921 174.900 0.137 0.000 1.000 763 G CA 0.102 45.289 45.100 0.146 0.000 0.635 763 G HN 0.869 nan 8.290 nan 0.000 0.495 764 D N 0.482 120.952 120.400 0.117 0.000 2.357 764 D HA 0.558 5.008 4.640 -0.316 0.000 0.242 764 D C 0.559 176.921 176.300 0.104 0.000 1.153 764 D CA 0.241 54.301 54.000 0.100 0.000 0.918 764 D CB 1.031 41.870 40.800 0.065 0.000 1.181 764 D HN 0.343 nan 8.370 nan 0.000 0.435 765 C N 0.747 120.114 119.300 0.112 0.000 2.454 765 C HA 0.777 5.047 4.460 -0.316 0.000 0.336 765 C C -0.036 175.008 174.990 0.089 0.000 1.189 765 C CA -0.567 58.532 59.018 0.135 0.000 1.877 765 C CB 1.501 29.353 27.740 0.187 0.000 2.348 765 C HN 0.269 nan 8.230 nan 0.000 0.508 766 V N 1.803 121.776 119.914 0.099 0.000 3.049 766 V HA 0.711 4.641 4.120 -0.316 0.000 0.309 766 V C -0.321 175.871 176.094 0.164 0.000 1.148 766 V CA -0.329 62.016 62.300 0.074 0.000 0.990 766 V CB 2.637 34.431 31.823 -0.049 0.000 1.039 766 V HN 1.017 nan 8.190 nan 0.000 0.430 767 S N 2.310 118.122 115.700 0.186 0.000 2.537 767 S HA 0.901 5.181 4.470 -0.316 0.000 0.301 767 S C -1.113 173.677 174.600 0.317 0.000 1.092 767 S CA -0.632 57.723 58.200 0.258 0.000 1.048 767 S CB 1.904 65.253 63.200 0.249 0.000 1.053 767 S HN 0.563 nan 8.310 nan 0.000 0.501 768 V N 3.102 123.233 119.914 0.362 0.000 2.638 768 V HA 0.416 4.346 4.120 -0.316 0.000 0.306 768 V C -0.402 175.764 176.094 0.120 0.000 1.052 768 V CA -0.806 61.703 62.300 0.347 0.000 0.885 768 V CB 1.770 33.919 31.823 0.544 0.000 0.999 768 V HN 0.955 nan 8.190 nan 0.000 0.424 769 I N 6.513 127.079 120.570 -0.006 0.000 2.452 769 I HA 0.233 4.213 4.170 -0.316 0.000 0.287 769 I C -2.021 173.915 176.117 -0.302 0.000 1.079 769 I CA -1.388 59.786 61.300 -0.211 0.000 1.387 769 I CB 1.150 38.998 38.000 -0.253 0.000 1.404 769 I HN 0.419 nan 8.210 nan 0.000 0.522 770 P HA 0.004 nan 4.420 nan 0.000 0.268 770 P C 0.214 177.337 177.300 -0.295 0.000 1.205 770 P CA -0.082 62.583 63.100 -0.725 0.000 0.771 770 P CB 0.756 31.940 31.700 -0.861 0.000 0.858 771 D N 0.756 121.056 120.400 -0.166 0.000 2.144 771 D HA -0.151 4.300 4.640 -0.316 0.000 0.200 771 D C 0.190 176.437 176.300 -0.088 0.000 0.978 771 D CA 1.088 55.037 54.000 -0.085 0.000 0.833 771 D CB -0.258 40.520 40.800 -0.037 0.000 0.961 771 D HN 0.263 nan 8.370 nan 0.000 0.470 772 D N -0.626 119.713 120.400 -0.101 0.000 2.374 772 D HA 0.196 4.647 4.640 -0.316 0.000 0.240 772 D C 1.130 177.366 176.300 -0.107 0.000 1.229 772 D CA 0.364 54.315 54.000 -0.082 0.000 0.895 772 D CB 0.651 41.416 40.800 -0.057 0.000 1.046 772 D HN 0.183 nan 8.370 nan 0.000 0.498 773 S N 2.284 117.933 115.700 -0.086 0.000 2.462 773 S HA -0.194 4.086 4.470 -0.316 0.000 0.243 773 S C 1.764 176.318 174.600 -0.076 0.000 1.003 773 S CA 1.733 59.881 58.200 -0.087 0.000 0.970 773 S CB -0.268 62.895 63.200 -0.061 0.000 0.762 773 S HN 0.492 nan 8.310 nan 0.000 0.510 774 S N -0.227 115.434 115.700 -0.064 0.000 2.501 774 S HA 0.187 4.468 4.470 -0.316 0.000 0.220 774 S C 0.660 175.230 174.600 -0.051 0.000 0.997 774 S CA -0.161 58.011 58.200 -0.047 0.000 0.919 774 S CB 0.038 63.218 63.200 -0.032 0.000 0.778 774 S HN 0.524 nan 8.310 nan 0.000 0.523 775 K N 2.447 122.802 120.400 -0.076 0.000 2.185 775 K HA 0.396 4.526 4.320 -0.316 0.000 0.271 775 K C -2.735 173.806 176.600 -0.098 0.000 1.013 775 K CA -2.035 54.208 56.287 -0.073 0.000 0.943 775 K CB 0.174 32.626 32.500 -0.080 0.000 0.998 775 K HN 0.133 nan 8.250 nan 0.000 0.468 776 P HA -0.027 nan 4.420 nan 0.000 0.269 776 P C -0.668 176.581 177.300 -0.085 0.000 1.209 776 P CA -0.554 62.526 63.100 -0.034 0.000 0.776 776 P CB 0.379 32.090 31.700 0.019 0.000 0.876 777 L N 3.536 124.718 121.223 -0.068 0.000 2.615 777 L HA -0.046 4.105 4.340 -0.316 0.000 0.284 777 L C -0.346 176.547 176.870 0.037 0.000 1.237 777 L CA 0.589 55.380 54.840 -0.082 0.000 0.905 777 L CB -0.700 41.364 42.059 0.010 0.000 1.149 777 L HN 0.211 nan 8.230 nan 0.000 0.499 778 Y N 5.860 126.158 120.300 -0.002 0.000 2.359 778 Y HA 0.438 4.798 4.550 -0.316 0.000 0.330 778 Y C 0.147 176.187 175.900 0.234 0.000 1.143 778 Y CA -0.634 57.485 58.100 0.031 0.000 1.318 778 Y CB 0.389 38.803 38.460 -0.076 0.000 1.234 778 Y HN 0.405 nan 8.280 nan 0.000 0.522 779 L N 2.729 124.258 121.223 0.509 0.000 2.431 779 L HA 0.880 5.030 4.340 -0.316 0.000 0.266 779 L C -0.557 176.656 176.870 0.572 0.000 0.978 779 L CA -0.930 54.157 54.840 0.411 0.000 0.822 779 L CB 2.099 44.208 42.059 0.085 0.000 1.310 779 L HN 0.690 nan 8.230 nan 0.000 0.409 780 A N 2.476 125.516 122.820 0.366 0.000 2.539 780 A HA 0.774 4.905 4.320 -0.316 0.000 0.296 780 A C -1.278 176.352 177.584 0.077 0.000 1.073 780 A CA -0.700 51.365 52.037 0.047 0.000 0.700 780 A CB 2.062 20.814 19.000 -0.413 0.000 1.296 780 A HN 0.752 nan 8.150 nan 0.000 0.405 781 R N 1.258 121.666 120.500 -0.154 0.000 2.297 781 R HA 0.551 4.701 4.340 -0.316 0.000 0.308 781 R C -1.225 175.092 176.300 0.028 0.000 1.029 781 R CA -0.340 55.742 56.100 -0.030 0.000 0.929 781 R CB 0.935 31.147 30.300 -0.147 0.000 1.046 781 R HN 0.458 nan 8.270 nan 0.000 0.461 782 V N 5.193 125.175 119.914 0.114 0.000 2.415 782 V HA 0.037 3.967 4.120 -0.316 0.000 0.267 782 V C 1.296 177.528 176.094 0.231 0.000 1.042 782 V CA 0.310 62.740 62.300 0.217 0.000 1.000 782 V CB 0.745 32.653 31.823 0.143 0.000 1.015 782 V HN 1.074 nan 8.190 nan 0.000 0.478 783 T N 1.186 115.909 114.554 0.281 0.000 3.044 783 T HA 0.583 4.743 4.350 -0.316 0.000 0.250 783 T C 0.440 175.324 174.700 0.308 0.000 1.081 783 T CA 0.489 62.750 62.100 0.268 0.000 1.040 783 T CB 0.446 69.465 68.868 0.251 0.000 0.962 783 T HN 0.992 nan 8.240 nan 0.000 0.506 784 A N 0.491 123.575 122.820 0.440 0.000 2.599 784 A HA 0.700 4.830 4.320 -0.316 0.000 0.294 784 A C -2.019 175.994 177.584 0.715 0.000 1.055 784 A CA -0.966 51.407 52.037 0.559 0.000 0.683 784 A CB 0.896 20.241 19.000 0.574 0.000 1.278 784 A HN 0.327 nan 8.150 nan 0.000 0.412 785 L N 0.997 122.661 121.223 0.735 0.000 2.409 785 L HA 0.832 4.983 4.340 -0.316 0.000 0.272 785 L C -0.854 176.376 176.870 0.601 0.000 0.980 785 L CA -0.260 54.967 54.840 0.646 0.000 0.826 785 L CB 1.836 44.249 42.059 0.591 0.000 1.268 785 L HN 1.024 nan 8.230 nan 0.000 0.407 786 W N 2.127 123.552 121.300 0.208 0.000 3.066 786 W HA 0.638 5.108 4.660 -0.316 0.000 0.330 786 W C -1.643 174.965 176.519 0.149 0.000 1.253 786 W CA -0.803 56.467 57.345 -0.126 0.000 1.187 786 W CB 1.039 30.177 29.460 -0.536 0.000 1.434 786 W HN 0.409 nan 8.180 nan 0.000 0.572 787 E N 1.776 122.092 120.200 0.193 0.000 2.166 787 E HA 0.233 4.394 4.350 -0.316 0.000 0.275 787 E C -0.800 175.960 176.600 0.267 0.000 0.941 787 E CA -0.625 55.936 56.400 0.268 0.000 0.784 787 E CB 1.159 31.095 29.700 0.393 0.000 1.115 787 E HN 0.343 nan 8.360 nan 0.000 0.399 788 D N 2.791 123.317 120.400 0.209 0.000 2.354 788 D HA 0.084 4.534 4.640 -0.316 0.000 0.247 788 D C 0.841 177.225 176.300 0.140 0.000 1.138 788 D CA -0.140 53.989 54.000 0.215 0.000 0.958 788 D CB 1.172 42.087 40.800 0.191 0.000 1.144 788 D HN 0.417 nan 8.370 nan 0.000 0.458 789 K N 0.328 120.794 120.400 0.110 0.000 2.211 789 K HA -0.151 3.979 4.320 -0.316 0.000 0.204 789 K C 1.156 177.799 176.600 0.072 0.000 1.047 789 K CA 0.893 57.227 56.287 0.079 0.000 0.935 789 K CB -0.242 32.294 32.500 0.059 0.000 0.728 789 K HN 0.501 nan 8.250 nan 0.000 0.452 790 N N -0.369 118.376 118.700 0.075 0.000 2.434 790 N HA -0.021 4.529 4.740 -0.316 0.000 0.196 790 N C 0.800 176.342 175.510 0.054 0.000 1.183 790 N CA 0.348 53.433 53.050 0.059 0.000 0.849 790 N CB 0.343 38.864 38.487 0.057 0.000 0.992 790 N HN 0.122 nan 8.380 nan 0.000 0.460 791 G N 0.094 108.935 108.800 0.069 0.000 2.162 791 G HA2 -0.318 3.452 3.960 -0.316 0.000 0.260 791 G HA3 -0.318 3.452 3.960 -0.316 0.000 0.260 791 G C -0.289 174.641 174.900 0.050 0.000 0.976 791 G CA -0.096 45.042 45.100 0.064 0.000 0.655 791 G HN 0.527 nan 8.290 nan 0.000 0.533 792 Q N -0.222 119.608 119.800 0.049 0.000 2.267 792 Q HA 0.593 4.743 4.340 -0.316 0.000 0.255 792 Q C 0.502 176.509 176.000 0.012 0.000 0.923 792 Q CA -0.053 55.758 55.803 0.013 0.000 0.925 792 Q CB 0.822 29.567 28.738 0.011 0.000 1.195 792 Q HN 0.460 nan 8.270 nan 0.000 0.417 793 M N 3.562 123.143 119.600 -0.032 0.000 2.084 793 M HA 0.342 4.633 4.480 -0.316 0.000 0.351 793 M C -0.719 175.517 176.300 -0.107 0.000 1.240 793 M CA -0.023 55.267 55.300 -0.016 0.000 1.083 793 M CB 0.644 33.082 32.600 -0.270 0.000 1.593 793 M HN 0.376 nan 8.290 nan 0.000 0.463 794 M N 3.856 123.295 119.600 -0.268 0.000 2.664 794 M HA 0.657 4.947 4.480 -0.316 0.000 0.314 794 M C -0.631 175.378 176.300 -0.484 0.000 1.200 794 M CA -0.584 54.363 55.300 -0.588 0.000 0.916 794 M CB 1.819 33.608 32.600 -1.352 0.000 1.717 794 M HN 0.648 nan 8.290 nan 0.000 0.470 795 F N -1.009 118.646 119.950 -0.493 0.000 2.603 795 F HA 0.676 5.013 4.527 -0.316 0.000 0.317 795 F C -0.824 175.042 175.800 0.109 0.000 1.066 795 F CA -1.117 56.790 58.000 -0.156 0.000 0.941 795 F CB 1.206 40.217 39.000 0.018 0.000 1.291 795 F HN 0.616 nan 8.300 nan 0.000 0.472 796 H N 1.611 120.882 119.070 0.335 0.000 2.517 796 H HA 0.698 5.065 4.556 -0.316 0.000 0.317 796 H C -1.016 174.259 175.328 -0.089 0.000 1.080 796 H CA -0.418 55.720 56.048 0.149 0.000 1.301 796 H CB 1.407 31.348 29.762 0.298 0.000 1.425 796 H HN 0.967 nan 8.280 nan 0.000 0.471 797 A N 5.284 127.602 122.820 -0.837 0.000 2.273 797 A HA 0.158 4.289 4.320 -0.316 0.000 0.320 797 A C -0.763 176.210 177.584 -1.017 0.000 1.358 797 A CA -0.572 50.920 52.037 -0.908 0.000 0.910 797 A CB -0.481 17.652 19.000 -1.446 0.000 1.159 797 A HN 0.988 nan 8.150 nan 0.000 0.526 798 H N 3.064 121.710 119.070 -0.706 0.000 2.969 798 H HA 0.237 4.603 4.556 -0.316 0.000 0.269 798 H C -0.744 174.212 175.328 -0.620 0.000 1.223 798 H CA -0.658 55.045 56.048 -0.574 0.000 1.400 798 H CB 0.164 29.705 29.762 -0.369 0.000 1.500 798 H HN 0.740 nan 8.280 nan 0.000 0.486 799 W N 4.580 125.805 121.300 -0.126 0.000 2.158 799 W HA 0.108 4.578 4.660 -0.316 0.000 0.339 799 W C -0.273 175.999 176.519 -0.411 0.000 1.294 799 W CA -0.575 56.641 57.345 -0.216 0.000 1.231 799 W CB 0.340 29.707 29.460 -0.156 0.000 1.143 799 W HN 0.426 nan 8.180 nan 0.000 0.571 800 F N 1.395 121.379 119.950 0.057 0.000 2.378 800 F HA 0.371 4.708 4.527 -0.317 0.000 0.325 800 F C 0.443 176.241 175.800 -0.003 0.000 1.097 800 F CA -0.960 56.982 58.000 -0.095 0.000 1.079 800 F CB 0.650 39.552 39.000 -0.164 0.000 1.240 800 F HN 0.154 nan 8.300 nan 0.000 0.519 801 C N 2.833 122.263 119.300 0.217 0.000 2.303 801 C HA 0.834 5.105 4.460 -0.316 0.000 0.326 801 C C 0.257 175.369 174.990 0.203 0.000 1.285 801 C CA -0.721 58.404 59.018 0.178 0.000 1.675 801 C CB -1.072 26.774 27.740 0.178 0.000 2.289 801 C HN 0.891 nan 8.230 nan 0.000 0.512 802 A N 4.681 127.580 122.820 0.132 0.000 2.386 802 A HA 0.489 4.620 4.320 -0.316 0.000 0.248 802 A C 1.410 179.098 177.584 0.174 0.000 1.082 802 A CA 0.510 52.613 52.037 0.110 0.000 0.789 802 A CB 0.148 19.189 19.000 0.067 0.000 1.025 802 A HN 1.531 nan 8.150 nan 0.000 0.490 803 G N 0.475 109.403 108.800 0.214 0.000 2.513 803 G HA2 -0.303 3.467 3.960 -0.316 0.000 0.219 803 G HA3 -0.303 3.467 3.960 -0.316 0.000 0.219 803 G C 1.423 176.385 174.900 0.104 0.000 1.160 803 G CA 1.875 47.139 45.100 0.273 0.000 0.767 803 G HN 1.274 nan 8.290 nan 0.000 0.571 804 T N -1.957 112.643 114.554 0.078 0.000 3.098 804 T HA 0.005 4.165 4.350 -0.316 0.000 0.266 804 T C 1.212 175.937 174.700 0.041 0.000 1.145 804 T CA 1.439 63.568 62.100 0.049 0.000 1.092 804 T CB -0.012 68.882 68.868 0.043 0.000 0.908 804 T HN 0.146 nan 8.240 nan 0.000 0.526 805 D N 1.883 122.304 120.400 0.036 0.000 2.368 805 D HA 0.164 4.614 4.640 -0.316 0.000 0.218 805 D C 1.053 177.357 176.300 0.007 0.000 1.112 805 D CA 0.220 54.245 54.000 0.041 0.000 0.834 805 D CB 0.473 41.305 40.800 0.053 0.000 0.953 805 D HN 0.696 nan 8.370 nan 0.000 0.505 806 T N -3.529 110.953 114.554 -0.121 0.000 2.896 806 T HA 0.310 4.470 4.350 -0.316 0.000 0.280 806 T C 1.785 176.491 174.700 0.010 0.000 1.010 806 T CA -0.570 61.318 62.100 -0.354 0.000 0.985 806 T CB 1.211 69.498 68.868 -0.968 0.000 1.208 806 T HN -0.201 nan 8.240 nan 0.000 0.579 807 V N 0.467 120.438 119.914 0.093 0.000 2.380 807 V HA -0.140 3.790 4.120 -0.316 0.000 0.251 807 V C 2.621 178.750 176.094 0.058 0.000 1.063 807 V CA 1.270 63.638 62.300 0.114 0.000 1.055 807 V CB -1.603 30.231 31.823 0.017 0.000 0.657 807 V HN 0.652 nan 8.190 nan 0.000 0.455 808 L N 1.009 122.252 121.223 0.034 0.000 2.051 808 L HA 0.003 4.153 4.340 -0.316 0.000 0.214 808 L C 2.097 178.965 176.870 -0.003 0.000 1.076 808 L CA 1.966 56.803 54.840 -0.005 0.000 0.758 808 L CB -2.152 39.902 42.059 -0.009 0.000 0.890 808 L HN 0.659 nan 8.230 nan 0.000 0.433 809 G N -0.772 108.039 108.800 0.018 0.000 2.622 809 G HA2 -0.386 3.384 3.960 -0.316 0.000 0.307 809 G HA3 -0.386 3.384 3.960 -0.316 0.000 0.307 809 G C 0.992 175.902 174.900 0.016 0.000 1.226 809 G CA 1.211 46.325 45.100 0.022 0.000 0.997 809 G HN 0.730 nan 8.290 nan 0.000 0.551 810 A N -0.215 122.605 122.820 -0.000 0.000 2.235 810 A HA 0.387 4.517 4.320 -0.316 0.000 0.208 810 A C 2.389 179.966 177.584 -0.011 0.000 1.172 810 A CA 2.609 54.645 52.037 -0.002 0.000 0.786 810 A CB -0.719 18.274 19.000 -0.011 0.000 0.804 810 A HN 2.009 nan 8.150 nan 0.000 0.479 811 T N -1.770 112.772 114.554 -0.020 0.000 3.067 811 T HA 0.061 4.221 4.350 -0.316 0.000 0.261 811 T C 1.147 175.860 174.700 0.022 0.000 1.110 811 T CA 0.655 62.743 62.100 -0.020 0.000 1.113 811 T CB -0.697 68.141 68.868 -0.050 0.000 0.917 811 T HN 0.537 nan 8.240 nan 0.000 0.499 812 S N 1.447 117.173 115.700 0.044 0.000 2.585 812 S HA 0.208 4.488 4.470 -0.316 0.000 0.273 812 S C -0.104 174.549 174.600 0.088 0.000 1.339 812 S CA -0.818 57.436 58.200 0.090 0.000 1.028 812 S CB 0.585 63.870 63.200 0.142 0.000 0.906 812 S HN 0.343 nan 8.310 nan 0.000 0.528 813 D N 1.915 122.379 120.400 0.107 0.000 2.434 813 D HA 0.162 4.612 4.640 -0.316 0.000 0.252 813 D C -1.386 174.958 176.300 0.074 0.000 1.185 813 D CA -1.736 52.327 54.000 0.105 0.000 0.886 813 D CB 1.042 41.947 40.800 0.176 0.000 1.148 813 D HN 0.243 nan 8.370 nan 0.000 0.483 814 P HA -0.121 nan 4.420 nan 0.000 0.217 814 P C 1.173 178.529 177.300 0.094 0.000 1.148 814 P CA 1.062 64.205 63.100 0.071 0.000 0.828 814 P CB 0.181 31.912 31.700 0.052 0.000 0.783 815 L N -1.574 119.700 121.223 0.086 0.000 2.592 815 L HA 0.137 4.287 4.340 -0.316 0.000 0.227 815 L C 1.171 178.006 176.870 -0.059 0.000 1.127 815 L CA -0.054 54.849 54.840 0.105 0.000 0.884 815 L CB -0.513 41.623 42.059 0.129 0.000 1.065 815 L HN -0.015 nan 8.230 nan 0.000 0.457 816 E N 1.460 121.471 120.200 -0.315 0.000 2.227 816 E HA 0.429 4.589 4.350 -0.316 0.000 0.282 816 E C -0.781 175.452 176.600 -0.612 0.000 1.015 816 E CA -0.351 55.505 56.400 -0.907 0.000 0.823 816 E CB 0.839 30.008 29.700 -0.885 0.000 1.081 816 E HN 0.145 nan 8.360 nan 0.000 0.396 817 L N 4.093 124.904 121.223 -0.686 0.000 2.334 817 L HA 0.567 4.718 4.340 -0.316 0.000 0.270 817 L C -0.683 175.861 176.870 -0.543 0.000 1.018 817 L CA -1.031 53.532 54.840 -0.461 0.000 0.811 817 L CB 1.007 42.754 42.059 -0.521 0.000 1.271 817 L HN 0.590 nan 8.230 nan 0.000 0.443 818 F N 0.414 120.430 119.950 0.109 0.000 2.563 818 F HA 0.491 4.829 4.527 -0.316 0.000 0.316 818 F C 0.012 175.853 175.800 0.070 0.000 1.076 818 F CA -0.705 57.403 58.000 0.179 0.000 0.921 818 F CB 1.615 40.728 39.000 0.189 0.000 1.209 818 F HN 0.136 nan 8.300 nan 0.000 0.462 819 L N 3.142 124.421 121.223 0.093 0.000 2.439 819 L HA 0.586 4.737 4.340 -0.316 0.000 0.269 819 L C -0.444 175.918 176.870 -0.846 0.000 1.179 819 L CA -0.421 54.119 54.840 -0.500 0.000 0.828 819 L CB 0.526 42.266 42.059 -0.531 0.000 1.106 819 L HN 0.381 nan 8.230 nan 0.000 0.467 820 V N -0.495 118.839 119.914 -0.967 0.000 3.147 820 V HA 0.415 4.346 4.120 -0.316 0.000 0.306 820 V C 0.322 176.160 176.094 -0.426 0.000 1.209 820 V CA -0.836 61.035 62.300 -0.714 0.000 1.023 820 V CB 1.604 33.317 31.823 -0.183 0.000 1.059 820 V HN 0.784 nan 8.190 nan 0.000 0.435 821 G N 0.842 109.663 108.800 0.036 0.000 3.401 821 G HA2 0.482 4.253 3.960 -0.316 0.000 0.251 821 G HA3 0.482 4.253 3.960 -0.316 0.000 0.251 821 G C -0.088 174.841 174.900 0.048 0.000 0.960 821 G CA -0.052 45.163 45.100 0.191 0.000 1.900 821 G HN 0.727 nan 8.290 nan 0.000 0.645 822 E N 0.031 120.245 120.200 0.023 0.000 2.241 822 E HA 0.495 4.655 4.350 -0.316 0.000 0.263 822 E C -0.541 176.141 176.600 0.137 0.000 0.882 822 E CA -0.838 55.612 56.400 0.083 0.000 0.769 822 E CB 1.847 31.605 29.700 0.096 0.000 1.185 822 E HN 0.442 nan 8.360 nan 0.000 0.415 823 C N 1.174 120.509 119.300 0.058 0.000 3.288 823 C HA 0.876 5.147 4.460 -0.316 0.000 0.318 823 C C -1.134 173.772 174.990 -0.140 0.000 1.356 823 C CA -0.741 58.166 59.018 -0.184 0.000 1.359 823 C CB 1.430 29.003 27.740 -0.280 0.000 1.688 823 C HN 1.038 nan 8.230 nan 0.000 0.467 824 E N 0.566 120.512 120.200 -0.423 0.000 2.417 824 E HA 0.366 4.526 4.350 -0.316 0.000 0.280 824 E C -1.904 174.569 176.600 -0.212 0.000 1.112 824 E CA -0.720 55.599 56.400 -0.134 0.000 0.863 824 E CB 0.701 30.444 29.700 0.071 0.000 1.346 824 E HN 0.626 nan 8.360 nan 0.000 0.443 825 N N 1.063 119.803 118.700 0.067 0.000 2.472 825 N HA 0.386 4.937 4.740 -0.316 0.000 0.277 825 N C -0.726 174.730 175.510 -0.090 0.000 1.081 825 N CA -0.022 53.105 53.050 0.128 0.000 0.973 825 N CB 1.155 39.883 38.487 0.401 0.000 1.105 825 N HN 0.490 nan 8.380 nan 0.000 0.470 826 M N 0.628 120.006 119.600 -0.371 0.000 2.619 826 M HA 0.234 4.524 4.480 -0.316 0.000 0.297 826 M C -0.924 175.308 176.300 -0.114 0.000 1.229 826 M CA -0.709 54.431 55.300 -0.267 0.000 0.860 826 M CB 2.244 34.609 32.600 -0.391 0.000 1.741 826 M HN 0.282 nan 8.290 nan 0.000 0.462 827 Q N 2.602 122.521 119.800 0.199 0.000 2.297 827 Q HA 0.180 4.330 4.340 -0.316 0.000 0.267 827 Q C 0.785 176.986 176.000 0.336 0.000 1.006 827 Q CA -0.099 55.813 55.803 0.183 0.000 0.896 827 Q CB 1.099 29.891 28.738 0.090 0.000 1.186 827 Q HN 0.738 nan 8.270 nan 0.000 0.392 828 L N 1.716 123.090 121.223 0.252 0.000 2.089 828 L HA -0.305 3.846 4.340 -0.316 0.000 0.213 828 L C 2.296 179.189 176.870 0.037 0.000 1.079 828 L CA 1.713 56.637 54.840 0.139 0.000 0.758 828 L CB -0.543 41.473 42.059 -0.072 0.000 0.891 828 L HN 0.707 nan 8.230 nan 0.000 0.433 829 S N -1.880 113.796 115.700 -0.040 0.000 2.537 829 S HA -0.175 4.105 4.470 -0.316 0.000 0.240 829 S C 1.602 176.151 174.600 -0.085 0.000 0.981 829 S CA 0.641 58.769 58.200 -0.120 0.000 0.948 829 S CB -0.582 62.490 63.200 -0.213 0.000 0.759 829 S HN 0.489 nan 8.310 nan 0.000 0.531 830 Y N 1.154 121.527 120.300 0.123 0.000 2.517 830 Y HA 0.383 4.743 4.550 -0.316 0.000 0.281 830 Y C 1.031 177.039 175.900 0.180 0.000 1.125 830 Y CA -0.643 57.557 58.100 0.166 0.000 1.283 830 Y CB 0.035 38.633 38.460 0.230 0.000 1.042 830 Y HN 0.237 nan 8.280 nan 0.000 0.547 831 I N 0.718 121.443 120.570 0.259 0.000 2.775 831 I HA -0.223 3.757 4.170 -0.316 0.000 0.290 831 I C 1.409 177.629 176.117 0.171 0.000 1.203 831 I CA 0.693 62.086 61.300 0.154 0.000 1.433 831 I CB 0.663 38.627 38.000 -0.060 0.000 1.354 831 I HN 0.265 nan 8.210 nan 0.000 0.579 832 H N 3.883 123.011 119.070 0.097 0.000 2.553 832 H HA 0.208 4.574 4.556 -0.316 0.000 0.276 832 H C 0.272 175.626 175.328 0.043 0.000 0.979 832 H CA 0.694 56.786 56.048 0.073 0.000 1.268 832 H CB 0.650 30.463 29.762 0.086 0.000 1.450 832 H HN 0.602 nan 8.280 nan 0.000 0.527 833 S N -0.532 115.146 115.700 -0.038 0.000 2.680 833 S HA 0.227 4.507 4.470 -0.316 0.000 0.284 833 S C -1.819 172.781 174.600 -0.001 0.000 1.055 833 S CA -1.029 57.117 58.200 -0.090 0.000 0.849 833 S CB 0.670 63.790 63.200 -0.132 0.000 1.068 833 S HN 0.287 nan 8.310 nan 0.000 0.453 834 K N 1.948 122.340 120.400 -0.015 0.000 2.270 834 K HA 0.526 4.656 4.320 -0.316 0.000 0.276 834 K C -0.009 176.625 176.600 0.056 0.000 1.023 834 K CA -0.309 55.986 56.287 0.015 0.000 0.955 834 K CB 1.040 33.542 32.500 0.003 0.000 0.975 834 K HN 0.602 nan 8.250 nan 0.000 0.471 835 V N -0.751 119.217 119.914 0.091 0.000 2.960 835 V HA 0.483 4.413 4.120 -0.316 0.000 0.315 835 V C -0.738 175.436 176.094 0.132 0.000 1.087 835 V CA -1.112 61.270 62.300 0.137 0.000 0.982 835 V CB 1.760 33.706 31.823 0.204 0.000 1.039 835 V HN 0.668 nan 8.190 nan 0.000 0.437 836 K N 1.966 122.453 120.400 0.146 0.000 2.234 836 K HA 0.705 4.835 4.320 -0.316 0.000 0.277 836 K C -1.481 175.223 176.600 0.174 0.000 1.038 836 K CA -0.480 55.886 56.287 0.132 0.000 0.888 836 K CB 1.529 34.085 32.500 0.093 0.000 1.091 836 K HN 0.720 nan 8.250 nan 0.000 0.467 837 V N 6.714 126.725 119.914 0.162 0.000 2.407 837 V HA 0.380 4.310 4.120 -0.316 0.000 0.291 837 V C -0.219 176.023 176.094 0.247 0.000 1.018 837 V CA -0.799 61.602 62.300 0.168 0.000 0.842 837 V CB 1.428 33.265 31.823 0.024 0.000 0.996 837 V HN 0.724 nan 8.190 nan 0.000 0.426 838 I N 4.476 125.192 120.570 0.244 0.000 2.359 838 I HA 0.343 4.323 4.170 -0.316 0.000 0.294 838 I C -0.549 175.654 176.117 0.144 0.000 0.987 838 I CA -0.685 60.731 61.300 0.194 0.000 1.225 838 I CB 1.411 39.481 38.000 0.118 0.000 1.366 838 I HN 0.678 nan 8.210 nan 0.000 0.466 839 Y N 7.166 127.401 120.300 -0.108 0.000 2.556 839 Y HA 0.163 4.523 4.550 -0.316 0.000 0.352 839 Y C 0.589 176.307 175.900 -0.303 0.000 1.006 839 Y CA -0.606 57.158 58.100 -0.559 0.000 1.277 839 Y CB 0.360 38.572 38.460 -0.413 0.000 1.136 839 Y HN 0.462 nan 8.280 nan 0.000 0.523 840 K N 6.235 126.302 120.400 -0.555 0.000 2.110 840 K HA 0.376 4.506 4.320 -0.316 0.000 0.260 840 K C -0.354 175.774 176.600 -0.786 0.000 1.126 840 K CA -0.169 55.819 56.287 -0.498 0.000 1.005 840 K CB -0.255 32.102 32.500 -0.238 0.000 1.336 840 K HN 0.752 nan 8.250 nan 0.000 0.369 841 A N 4.949 127.202 122.820 -0.945 0.000 2.351 841 A HA 0.345 4.476 4.320 -0.316 0.000 0.257 841 A C -2.177 175.213 177.584 -0.323 0.000 1.087 841 A CA -1.315 50.259 52.037 -0.772 0.000 0.798 841 A CB -0.133 18.564 19.000 -0.505 0.000 1.033 841 A HN 0.618 nan 8.150 nan 0.000 0.488 842 P HA 0.162 nan 4.420 nan 0.000 0.271 842 P C 0.113 177.380 177.300 -0.055 0.000 1.220 842 P CA -0.001 63.020 63.100 -0.132 0.000 0.768 842 P CB 0.728 32.247 31.700 -0.302 0.000 0.848 843 S N 2.268 117.992 115.700 0.039 0.000 2.566 843 S HA 0.153 4.433 4.470 -0.316 0.000 0.280 843 S C 1.803 176.435 174.600 0.054 0.000 1.343 843 S CA 0.443 58.662 58.200 0.031 0.000 1.036 843 S CB 0.205 63.428 63.200 0.037 0.000 0.866 843 S HN 0.514 nan 8.310 nan 0.000 0.526 844 E N 2.028 122.241 120.200 0.023 0.000 2.338 844 E HA -0.067 4.093 4.350 -0.316 0.000 0.197 844 E C 1.369 177.997 176.600 0.047 0.000 1.007 844 E CA 1.497 57.913 56.400 0.027 0.000 0.849 844 E CB -1.660 28.046 29.700 0.010 0.000 0.774 844 E HN 1.004 nan 8.360 nan 0.000 0.506 845 N N -0.904 117.824 118.700 0.046 0.000 2.546 845 N HA 0.329 4.879 4.740 -0.316 0.000 0.286 845 N C 0.885 176.426 175.510 0.052 0.000 1.259 845 N CA 0.108 53.177 53.050 0.032 0.000 0.939 845 N CB -0.915 37.566 38.487 -0.011 0.000 1.243 845 N HN 0.572 nan 8.380 nan 0.000 0.511 846 W N 0.660 121.906 121.300 -0.090 0.000 2.335 846 W HA -0.111 4.358 4.660 -0.317 0.000 0.311 846 W C 2.216 178.667 176.519 -0.113 0.000 1.213 846 W CA 2.277 59.557 57.345 -0.109 0.000 1.274 846 W CB -0.078 29.307 29.460 -0.126 0.000 1.148 846 W HN 0.462 nan 8.180 nan 0.000 0.498 847 A N -0.454 122.388 122.820 0.038 0.000 2.084 847 A HA -0.222 3.908 4.320 -0.316 0.000 0.221 847 A C 1.922 179.339 177.584 -0.278 0.000 1.161 847 A CA 1.829 53.782 52.037 -0.141 0.000 0.653 847 A CB -0.616 18.389 19.000 0.010 0.000 0.802 847 A HN 0.336 nan 8.150 nan 0.000 0.457 848 M N -0.117 119.350 119.600 -0.222 0.000 2.428 848 M HA 0.113 4.403 4.480 -0.316 0.000 0.239 848 M C -0.283 175.857 176.300 -0.266 0.000 1.121 848 M CA 0.368 55.527 55.300 -0.234 0.000 1.019 848 M CB -0.346 32.169 32.600 -0.142 0.000 1.485 848 M HN 0.382 nan 8.290 nan 0.000 0.484 849 E N 0.894 120.902 120.200 -0.319 0.000 2.003 849 E HA 0.388 4.549 4.350 -0.316 0.000 0.279 849 E C 0.368 176.772 176.600 -0.326 0.000 1.132 849 E CA -0.334 55.891 56.400 -0.292 0.000 0.888 849 E CB 0.586 30.109 29.700 -0.295 0.000 1.056 849 E HN 0.276 nan 8.360 nan 0.000 0.399 866 T N 1.504 115.996 114.554 -0.104 0.000 2.829 866 T HA 0.645 4.805 4.350 -0.316 0.000 0.282 866 T C -0.406 174.280 174.700 -0.024 0.000 0.990 866 T CA -0.396 61.654 62.100 -0.085 0.000 1.028 866 T CB 0.504 69.373 68.868 0.001 0.000 0.951 866 T HN 0.234 nan 8.240 nan 0.000 0.460 867 Y N 2.939 123.272 120.300 0.055 0.000 2.480 867 Y HA 0.408 4.769 4.550 -0.316 0.000 0.338 867 Y C 0.242 176.209 175.900 0.112 0.000 1.220 867 Y CA -0.565 57.547 58.100 0.019 0.000 1.430 867 Y CB 0.160 38.559 38.460 -0.100 0.000 1.311 867 Y HN 0.626 nan 8.280 nan 0.000 0.575 868 F N 1.939 121.954 119.950 0.107 0.000 2.643 868 F HA 0.831 5.168 4.527 -0.317 0.000 0.314 868 F C -1.695 174.143 175.800 0.063 0.000 1.096 868 F CA -2.243 55.782 58.000 0.042 0.000 0.953 868 F CB 1.482 40.456 39.000 -0.044 0.000 1.345 868 F HN 0.264 nan 8.300 nan 0.000 0.468 869 F N 0.575 120.528 119.950 0.006 0.000 2.626 869 F HA 0.629 4.966 4.527 -0.317 0.000 0.311 869 F C -0.254 175.701 175.800 0.258 0.000 1.088 869 F CA -0.720 57.222 58.000 -0.096 0.000 0.949 869 F CB 2.153 41.137 39.000 -0.026 0.000 1.322 869 F HN 0.750 nan 8.300 nan 0.000 0.461 870 Q N 1.308 121.267 119.800 0.265 0.000 2.167 870 Q HA 0.474 4.624 4.340 -0.316 0.000 0.251 870 Q C -1.005 175.313 176.000 0.530 0.000 0.768 870 Q CA -0.148 55.849 55.803 0.323 0.000 0.944 870 Q CB 1.363 30.228 28.738 0.211 0.000 1.179 870 Q HN 0.671 nan 8.270 nan 0.000 0.478 871 L N 0.407 122.007 121.223 0.629 0.000 2.333 871 L HA 0.563 4.714 4.340 -0.316 0.000 0.263 871 L C -1.295 176.040 176.870 0.775 0.000 1.014 871 L CA -0.998 54.270 54.840 0.713 0.000 0.820 871 L CB 2.331 44.869 42.059 0.797 0.000 1.352 871 L HN 0.146 nan 8.230 nan 0.000 0.421 872 W N 1.900 123.482 121.300 0.470 0.000 2.361 872 W HA 0.274 4.744 4.660 -0.317 0.000 0.309 872 W C -1.350 175.358 176.519 0.316 0.000 1.122 872 W CA -0.626 56.934 57.345 0.358 0.000 1.208 872 W CB 1.119 30.715 29.460 0.226 0.000 1.246 872 W HN 0.393 nan 8.180 nan 0.000 0.490 873 Y N 7.349 127.730 120.300 0.134 0.000 2.341 873 Y HA 0.212 4.572 4.550 -0.317 0.000 0.340 873 Y C -0.144 175.777 175.900 0.034 0.000 0.997 873 Y CA -0.406 57.636 58.100 -0.098 0.000 1.149 873 Y CB 0.530 38.807 38.460 -0.306 0.000 1.171 873 Y HN 0.410 nan 8.280 nan 0.000 0.494 874 N N 5.977 124.395 118.700 -0.469 0.000 2.462 874 N HA 0.050 4.600 4.740 -0.316 0.000 0.242 874 N C 0.428 175.392 175.510 -0.909 0.000 1.010 874 N CA -0.251 52.544 53.050 -0.425 0.000 0.939 874 N CB 1.075 39.471 38.487 -0.152 0.000 1.127 874 N HN 0.912 nan 8.380 nan 0.000 0.509 875 Q N 1.874 121.237 119.800 -0.728 0.000 2.378 875 Q HA -0.079 4.071 4.340 -0.316 0.000 0.205 875 Q C 0.880 176.820 176.000 -0.101 0.000 0.954 875 Q CA 0.893 56.403 55.803 -0.488 0.000 0.901 875 Q CB 0.138 28.848 28.738 -0.047 0.000 0.981 875 Q HN 0.707 nan 8.270 nan 0.000 0.483 876 E N 0.513 120.570 120.200 -0.239 0.000 2.112 876 E HA -0.090 4.070 4.350 -0.316 0.000 0.190 876 E C 0.711 177.294 176.600 -0.028 0.000 0.979 876 E CA 0.595 56.863 56.400 -0.219 0.000 0.814 876 E CB 0.171 29.570 29.700 -0.502 0.000 0.762 876 E HN 0.573 nan 8.360 nan 0.000 0.460 877 Y N -0.952 119.326 120.300 -0.036 0.000 2.467 877 Y HA 0.407 4.768 4.550 -0.316 0.000 0.250 877 Y C 0.603 176.399 175.900 -0.173 0.000 1.155 877 Y CA -0.283 57.777 58.100 -0.065 0.000 1.249 877 Y CB 1.032 39.466 38.460 -0.043 0.000 1.146 877 Y HN 0.056 nan 8.280 nan 0.000 0.524 878 A N 1.649 124.395 122.820 -0.124 0.000 2.610 878 A HA -0.262 3.868 4.320 -0.316 0.000 0.299 878 A C -0.104 177.412 177.584 -0.114 0.000 1.487 878 A CA 0.648 52.529 52.037 -0.259 0.000 0.743 878 A CB -1.930 16.861 19.000 -0.347 0.000 1.070 878 A HN 0.567 nan 8.150 nan 0.000 0.439 879 R N -0.988 119.398 120.500 -0.189 0.000 2.338 879 R HA 0.641 4.792 4.340 -0.316 0.000 0.317 879 R C -0.836 175.421 176.300 -0.070 0.000 0.968 879 R CA -0.452 55.660 56.100 0.020 0.000 0.849 879 R CB 0.868 31.238 30.300 0.116 0.000 1.128 879 R HN 0.355 nan 8.270 nan 0.000 0.448 880 F N 1.697 121.817 119.950 0.283 0.000 2.415 880 F HA 0.374 4.710 4.527 -0.317 0.000 0.348 880 F C 0.543 176.527 175.800 0.307 0.000 1.119 880 F CA -0.418 57.784 58.000 0.337 0.000 1.069 880 F CB 1.375 40.562 39.000 0.312 0.000 1.124 880 F HN 0.327 nan 8.300 nan 0.000 0.472 881 E N 0.498 120.986 120.200 0.481 0.000 2.429 881 E HA 0.399 4.559 4.350 -0.316 0.000 0.276 881 E C -1.090 175.721 176.600 0.352 0.000 0.953 881 E CA -1.144 55.461 56.400 0.342 0.000 0.787 881 E CB 2.059 31.895 29.700 0.227 0.000 1.307 881 E HN 0.391 nan 8.360 nan 0.000 0.458 882 S N 2.224 118.068 115.700 0.239 0.000 2.568 882 S HA 0.126 4.406 4.470 -0.316 0.000 0.282 882 S C -2.186 172.566 174.600 0.253 0.000 1.338 882 S CA -0.846 57.490 58.200 0.226 0.000 1.045 882 S CB -0.100 63.172 63.200 0.120 0.000 0.873 882 S HN 0.258 nan 8.310 nan 0.000 0.516 883 P HA 0.249 nan 4.420 nan 0.000 0.269 883 P C -2.412 174.979 177.300 0.153 0.000 1.215 883 P CA -1.111 62.179 63.100 0.316 0.000 0.780 883 P CB -0.540 31.341 31.700 0.301 0.000 0.898 884 P HA 0.110 nan 4.420 nan 0.000 0.268 884 P C 0.678 178.019 177.300 0.068 0.000 1.208 884 P CA 0.182 63.290 63.100 0.013 0.000 0.777 884 P CB 0.227 31.900 31.700 -0.045 0.000 0.875 885 K N 0.508 120.937 120.400 0.049 0.000 2.393 885 K HA 0.099 4.229 4.320 -0.316 0.000 0.193 885 K C 0.804 177.445 176.600 0.070 0.000 1.026 885 K CA 0.617 56.937 56.287 0.056 0.000 1.064 885 K CB -1.151 31.370 32.500 0.036 0.000 0.833 885 K HN 0.609 nan 8.250 nan 0.000 0.521 886 T N 2.461 117.072 114.554 0.097 0.000 2.905 886 T HA 0.084 4.245 4.350 -0.316 0.000 0.299 886 T C -0.007 174.797 174.700 0.174 0.000 1.024 886 T CA 0.038 62.225 62.100 0.144 0.000 1.151 886 T CB 0.503 69.488 68.868 0.194 0.000 0.987 886 T HN 0.417 nan 8.240 nan 0.000 0.535 887 Q N 2.104 121.908 119.800 0.005 0.000 2.297 887 Q HA 0.409 4.559 4.340 -0.316 0.000 0.268 887 Q C -2.468 173.159 176.000 -0.623 0.000 1.045 887 Q CA -2.455 53.191 55.803 -0.261 0.000 0.861 887 Q CB 1.164 29.805 28.738 -0.163 0.000 1.344 887 Q HN 0.372 nan 8.270 nan 0.000 0.452 888 P HA 0.060 nan 4.420 nan 0.000 0.271 888 P C -0.314 176.773 177.300 -0.356 0.000 1.216 888 P CA 0.047 62.577 63.100 -0.949 0.000 0.776 888 P CB 0.506 31.735 31.700 -0.785 0.000 0.881 889 T N -2.003 112.435 114.554 -0.193 0.000 2.912 889 T HA 0.479 4.639 4.350 -0.316 0.000 0.280 889 T C 1.504 176.157 174.700 -0.079 0.000 0.989 889 T CA -0.002 62.037 62.100 -0.101 0.000 0.995 889 T CB 0.610 69.448 68.868 -0.050 0.000 1.077 889 T HN 0.292 nan 8.240 nan 0.000 0.531 890 E N 0.594 120.765 120.200 -0.047 0.000 2.118 890 E HA -0.190 3.970 4.350 -0.316 0.000 0.195 890 E C 1.670 178.273 176.600 0.005 0.000 0.992 890 E CA 2.018 58.405 56.400 -0.022 0.000 0.804 890 E CB -1.226 28.465 29.700 -0.016 0.000 0.741 890 E HN 0.869 nan 8.360 nan 0.000 0.458 891 D N 0.614 121.013 120.400 -0.001 0.000 2.144 891 D HA -0.131 4.320 4.640 -0.316 0.000 0.200 891 D C 1.403 177.722 176.300 0.032 0.000 0.978 891 D CA 1.696 55.712 54.000 0.027 0.000 0.833 891 D CB -0.073 40.730 40.800 0.005 0.000 0.961 891 D HN 0.631 nan 8.370 nan 0.000 0.470 892 N N -0.481 118.168 118.700 -0.085 0.000 2.184 892 N HA 0.006 4.557 4.740 -0.316 0.000 0.206 892 N C 1.315 176.627 175.510 -0.330 0.000 1.151 892 N CA 0.321 53.190 53.050 -0.302 0.000 0.878 892 N CB -0.461 37.951 38.487 -0.125 0.000 1.014 892 N HN -0.034 nan 8.380 nan 0.000 0.512 893 K N 1.117 121.429 120.400 -0.148 0.000 2.362 893 K HA -0.172 3.958 4.320 -0.316 0.000 0.202 893 K C 1.578 178.146 176.600 -0.052 0.000 1.045 893 K CA 1.742 57.978 56.287 -0.085 0.000 0.936 893 K CB -1.599 30.879 32.500 -0.038 0.000 0.747 893 K HN 0.849 nan 8.250 nan 0.000 0.467 894 H N -0.353 118.672 119.070 -0.075 0.000 2.544 894 H HA 0.114 4.480 4.556 -0.316 0.000 0.269 894 H C 1.284 176.551 175.328 -0.101 0.000 0.970 894 H CA 1.220 57.209 56.048 -0.099 0.000 1.219 894 H CB 0.312 29.933 29.762 -0.235 0.000 1.421 894 H HN 0.666 nan 8.280 nan 0.000 0.555 895 K N -0.534 119.555 120.400 -0.518 0.000 2.517 895 K HA 0.102 4.232 4.320 -0.316 0.000 0.210 895 K C -0.207 176.304 176.600 -0.148 0.000 1.166 895 K CA -0.677 55.426 56.287 -0.306 0.000 1.030 895 K CB -0.246 31.936 32.500 -0.530 0.000 0.974 895 K HN -0.032 nan 8.250 nan 0.000 0.585 896 F N 3.175 122.991 119.950 -0.224 0.000 2.514 896 F HA -0.091 4.246 4.527 -0.316 0.000 0.399 896 F C -0.296 175.479 175.800 -0.041 0.000 1.011 896 F CA -0.013 57.907 58.000 -0.132 0.000 1.109 896 F CB 0.282 39.230 39.000 -0.086 0.000 0.980 896 F HN 0.304 nan 8.300 nan 0.000 0.538 897 C N 9.131 128.091 119.300 -0.566 0.000 2.407 897 C HA 0.298 4.569 4.460 -0.316 0.000 0.328 897 C C 1.097 175.762 174.990 -0.541 0.000 1.137 897 C CA -1.030 57.748 59.018 -0.401 0.000 1.390 897 C CB -0.519 27.119 27.740 -0.171 0.000 1.989 897 C HN 0.926 nan 8.230 nan 0.000 0.432 898 L N 3.943 124.895 121.223 -0.453 0.000 2.051 898 L HA -0.086 4.064 4.340 -0.316 0.000 0.214 898 L C 2.713 179.504 176.870 -0.132 0.000 1.076 898 L CA 2.420 57.126 54.840 -0.224 0.000 0.758 898 L CB -1.483 40.711 42.059 0.224 0.000 0.890 898 L HN 0.897 nan 8.230 nan 0.000 0.433 899 S N -1.225 114.265 115.700 -0.350 0.000 2.353 899 S HA -0.231 4.049 4.470 -0.316 0.000 0.222 899 S C 2.301 176.815 174.600 -0.143 0.000 1.035 899 S CA 1.789 59.847 58.200 -0.237 0.000 1.025 899 S CB -0.359 62.476 63.200 -0.608 0.000 0.902 899 S HN 0.552 nan 8.310 nan 0.000 0.440 900 C N 1.078 120.264 119.300 -0.190 0.000 2.413 900 C HA -0.023 4.248 4.460 -0.316 0.000 0.276 900 C C 2.490 177.389 174.990 -0.152 0.000 1.236 900 C CA 0.818 59.747 59.018 -0.148 0.000 1.735 900 C CB -1.528 26.096 27.740 -0.194 0.000 2.031 900 C HN 0.644 nan 8.230 nan 0.000 0.474 901 I N 0.407 120.855 120.570 -0.203 0.000 2.264 901 I HA -0.239 3.742 4.170 -0.316 0.000 0.248 901 I C 2.845 178.883 176.117 -0.131 0.000 1.111 901 I CA 1.575 62.770 61.300 -0.175 0.000 1.382 901 I CB -0.525 37.342 38.000 -0.223 0.000 1.060 901 I HN 0.369 nan 8.210 nan 0.000 0.418 902 R N 1.073 121.494 120.500 -0.133 0.000 2.075 902 R HA -0.190 3.960 4.340 -0.316 0.000 0.232 902 R C 2.486 178.738 176.300 -0.079 0.000 1.126 902 R CA 1.806 57.831 56.100 -0.124 0.000 0.963 902 R CB -0.465 29.753 30.300 -0.136 0.000 0.858 902 R HN 0.340 nan 8.270 nan 0.000 0.435 903 L N 0.188 121.375 121.223 -0.059 0.000 2.083 903 L HA 0.064 4.215 4.340 -0.316 0.000 0.209 903 L C 2.706 179.546 176.870 -0.050 0.000 1.083 903 L CA 2.333 57.147 54.840 -0.044 0.000 0.752 903 L CB -1.971 40.067 42.059 -0.036 0.000 0.899 903 L HN 0.542 nan 8.230 nan 0.000 0.433 904 A N -0.673 122.110 122.820 -0.062 0.000 1.858 904 A HA -0.257 3.873 4.320 -0.316 0.000 0.216 904 A C 2.190 179.745 177.584 -0.048 0.000 1.190 904 A CA 1.542 53.545 52.037 -0.056 0.000 0.617 904 A CB -0.754 18.206 19.000 -0.067 0.000 0.827 904 A HN 0.730 nan 8.150 nan 0.000 0.443 905 E N -0.501 119.666 120.200 -0.055 0.000 2.085 905 E HA -0.192 3.969 4.350 -0.316 0.000 0.194 905 E C 1.944 178.522 176.600 -0.037 0.000 0.994 905 E CA 1.029 57.401 56.400 -0.047 0.000 0.801 905 E CB -0.242 29.422 29.700 -0.059 0.000 0.743 905 E HN 0.385 nan 8.360 nan 0.000 0.453 906 L N 1.124 122.323 121.223 -0.040 0.000 1.989 906 L HA -0.189 3.961 4.340 -0.316 0.000 0.211 906 L C 2.344 179.201 176.870 -0.022 0.000 1.071 906 L CA 1.724 56.547 54.840 -0.029 0.000 0.749 906 L CB -0.914 41.127 42.059 -0.030 0.000 0.890 906 L HN 0.120 nan 8.230 nan 0.000 0.431 907 R N -0.988 119.496 120.500 -0.026 0.000 2.096 907 R HA -0.210 3.940 4.340 -0.316 0.000 0.240 907 R C 2.118 178.407 176.300 -0.017 0.000 1.139 907 R CA 1.224 57.310 56.100 -0.023 0.000 0.952 907 R CB -0.253 30.032 30.300 -0.026 0.000 0.854 907 R HN 0.462 nan 8.270 nan 0.000 0.436 908 Q N 0.691 120.481 119.800 -0.017 0.000 2.084 908 Q HA -0.166 3.984 4.340 -0.316 0.000 0.202 908 Q C 1.949 177.949 176.000 0.001 0.000 0.978 908 Q CA 1.439 57.237 55.803 -0.009 0.000 0.844 908 Q CB -0.236 28.495 28.738 -0.012 0.000 0.898 908 Q HN 0.306 nan 8.270 nan 0.000 0.426 909 K N 0.573 120.971 120.400 -0.002 0.000 2.057 909 K HA -0.177 3.953 4.320 -0.316 0.000 0.206 909 K C 1.887 178.492 176.600 0.009 0.000 1.050 909 K CA 1.225 57.516 56.287 0.008 0.000 0.935 909 K CB 0.094 32.596 32.500 0.004 0.000 0.715 909 K HN -0.012 nan 8.250 nan 0.000 0.439 910 E N 0.741 120.939 120.200 -0.003 0.000 2.153 910 E HA -0.119 4.041 4.350 -0.316 0.000 0.194 910 E C 0.657 177.241 176.600 -0.026 0.000 0.988 910 E CA 1.147 57.538 56.400 -0.015 0.000 0.811 910 E CB -0.044 29.644 29.700 -0.020 0.000 0.746 910 E HN 0.392 nan 8.360 nan 0.000 0.466 911 M N -0.231 119.361 119.600 -0.012 0.000 2.277 911 M HA 0.480 4.770 4.480 -0.316 0.000 0.350 911 M C -2.332 173.978 176.300 0.016 0.000 1.180 911 M CA -2.212 53.080 55.300 -0.014 0.000 1.103 911 M CB 1.138 33.734 32.600 -0.006 0.000 1.577 911 M HN -0.345 nan 8.290 nan 0.000 0.459 912 P HA 0.328 nan 4.420 nan 0.000 0.267 912 P C -1.099 176.279 177.300 0.129 0.000 1.205 912 P CA 0.254 63.431 63.100 0.129 0.000 0.765 912 P CB 0.497 32.272 31.700 0.124 0.000 0.828 913 K N 1.421 121.919 120.400 0.164 0.000 2.523 913 K HA 0.571 4.701 4.320 -0.316 0.000 0.257 913 K C -1.056 175.591 176.600 0.079 0.000 0.932 913 K CA -0.831 55.513 56.287 0.094 0.000 0.812 913 K CB 1.622 34.164 32.500 0.070 0.000 1.326 913 K HN 0.431 nan 8.250 nan 0.000 0.433 914 V N 3.256 123.191 119.914 0.036 0.000 2.364 914 V HA 0.426 4.357 4.120 -0.316 0.000 0.272 914 V C 0.470 176.572 176.094 0.013 0.000 1.036 914 V CA -0.600 61.704 62.300 0.006 0.000 0.880 914 V CB 0.653 32.467 31.823 -0.016 0.000 0.991 914 V HN 0.771 nan 8.190 nan 0.000 0.460 915 L N 4.516 125.748 121.223 0.015 0.000 2.179 915 L HA 0.389 4.539 4.340 -0.316 0.000 0.208 915 L C 1.205 178.083 176.870 0.013 0.000 1.096 915 L CA 1.155 56.006 54.840 0.019 0.000 0.779 915 L CB -1.106 40.968 42.059 0.024 0.000 0.922 915 L HN 0.806 nan 8.230 nan 0.000 0.443 916 E N -0.448 119.758 120.200 0.009 0.000 2.287 916 E HA 0.297 4.457 4.350 -0.316 0.000 0.274 916 E C -0.874 175.735 176.600 0.014 0.000 0.896 916 E CA -0.268 56.139 56.400 0.013 0.000 0.788 916 E CB 1.671 31.381 29.700 0.016 0.000 1.244 916 E HN 0.187 nan 8.360 nan 0.000 0.408 917 Q N 2.399 122.209 119.800 0.017 0.000 2.230 917 Q HA 0.451 4.601 4.340 -0.316 0.000 0.248 917 Q C 0.662 176.685 176.000 0.037 0.000 0.915 917 Q CA -0.242 55.577 55.803 0.026 0.000 0.900 917 Q CB 2.031 30.782 28.738 0.022 0.000 1.229 917 Q HN 0.552 nan 8.270 nan 0.000 0.439 918 I N -0.141 120.465 120.570 0.059 0.000 3.578 918 I HA 0.073 4.054 4.170 -0.316 0.000 0.238 918 I C 0.275 176.425 176.117 0.055 0.000 1.080 918 I CA 0.248 61.582 61.300 0.057 0.000 1.538 918 I CB 0.415 38.458 38.000 0.072 0.000 1.477 918 I HN 0.705 nan 8.210 nan 0.000 0.464 919 E N 0.822 121.075 120.200 0.089 0.000 2.407 919 E HA 0.358 4.518 4.350 -0.316 0.000 0.279 919 E C -1.181 175.499 176.600 0.134 0.000 1.012 919 E CA -0.797 55.648 56.400 0.076 0.000 0.800 919 E CB 1.831 31.552 29.700 0.035 0.000 1.276 919 E HN 0.117 nan 8.360 nan 0.000 0.452 920 E N 1.212 121.468 120.200 0.094 0.000 2.249 920 E HA 0.427 4.587 4.350 -0.316 0.000 0.280 920 E C -1.262 175.406 176.600 0.113 0.000 1.016 920 E CA -0.866 55.598 56.400 0.107 0.000 0.830 920 E CB 1.522 31.253 29.700 0.052 0.000 1.081 920 E HN 0.360 nan 8.360 nan 0.000 0.395 921 V N 4.802 124.817 119.914 0.169 0.000 2.509 921 V HA 0.144 4.075 4.120 -0.316 0.000 0.289 921 V C -1.023 175.130 176.094 0.098 0.000 1.026 921 V CA -0.860 61.515 62.300 0.125 0.000 0.872 921 V CB 1.518 33.411 31.823 0.116 0.000 1.017 921 V HN 0.923 nan 8.190 nan 0.000 0.436 922 D N 3.843 124.267 120.400 0.040 0.000 2.848 922 D HA -0.155 4.295 4.640 -0.316 0.000 0.245 922 D C 1.163 177.467 176.300 0.007 0.000 1.122 922 D CA 1.477 55.487 54.000 0.017 0.000 0.769 922 D CB -0.784 40.021 40.800 0.010 0.000 1.025 922 D HN 1.547 nan 8.370 nan 0.000 0.423 923 G N 0.604 109.407 108.800 0.006 0.000 2.273 923 G HA2 -0.329 3.441 3.960 -0.316 0.000 0.280 923 G HA3 -0.329 3.441 3.960 -0.316 0.000 0.280 923 G C 0.040 174.927 174.900 -0.022 0.000 1.047 923 G CA 0.495 45.592 45.100 -0.006 0.000 0.869 923 G HN 0.458 nan 8.290 nan 0.000 0.502 924 R N -1.113 119.371 120.500 -0.027 0.000 2.515 924 R HA 0.405 4.555 4.340 -0.316 0.000 0.278 924 R C -0.502 175.743 176.300 -0.091 0.000 1.107 924 R CA -0.651 55.389 56.100 -0.101 0.000 0.945 924 R CB 1.911 32.068 30.300 -0.238 0.000 1.219 924 R HN 0.236 nan 8.270 nan 0.000 0.434 925 V N 4.410 124.266 119.914 -0.098 0.000 2.406 925 V HA 0.356 4.287 4.120 -0.316 0.000 0.272 925 V C -0.298 175.733 176.094 -0.106 0.000 1.043 925 V CA -0.638 61.642 62.300 -0.033 0.000 0.915 925 V CB 0.541 32.357 31.823 -0.012 0.000 0.988 925 V HN 0.492 nan 8.190 nan 0.000 0.466 926 Y N 2.789 123.106 120.300 0.029 0.000 2.308 926 Y HA 0.506 4.866 4.550 -0.316 0.000 0.329 926 Y C 0.634 176.539 175.900 0.010 0.000 1.111 926 Y CA -0.180 57.942 58.100 0.037 0.000 1.179 926 Y CB 1.254 39.723 38.460 0.015 0.000 1.201 926 Y HN 0.640 nan 8.280 nan 0.000 0.483 927 C N 0.627 119.994 119.300 0.111 0.000 2.667 927 C HA 0.395 4.666 4.460 -0.316 0.000 0.323 927 C C 1.043 176.059 174.990 0.043 0.000 1.214 927 C CA -0.624 58.421 59.018 0.045 0.000 1.721 927 C CB 1.614 29.342 27.740 -0.021 0.000 2.275 927 C HN 0.937 nan 8.230 nan 0.000 0.491 928 S N -0.457 115.259 115.700 0.028 0.000 2.539 928 S HA 0.295 4.575 4.470 -0.316 0.000 0.221 928 S C 0.174 174.783 174.600 0.015 0.000 0.987 928 S CA 0.125 58.342 58.200 0.028 0.000 0.929 928 S CB 0.097 63.316 63.200 0.031 0.000 0.832 928 S HN 0.971 nan 8.310 nan 0.000 0.492 929 S N 0.445 116.142 115.700 -0.004 0.000 2.560 929 S HA 0.634 4.914 4.470 -0.316 0.000 0.283 929 S C -1.023 173.562 174.600 -0.025 0.000 1.141 929 S CA -0.842 57.357 58.200 -0.001 0.000 0.902 929 S CB 0.686 63.896 63.200 0.016 0.000 1.104 929 S HN 0.716 nan 8.310 nan 0.000 0.454 930 I N 0.213 120.766 120.570 -0.027 0.000 3.467 930 I HA 0.921 4.901 4.170 -0.316 0.000 0.314 930 I C -0.765 175.425 176.117 0.122 0.000 1.177 930 I CA -0.874 60.402 61.300 -0.039 0.000 0.943 930 I CB 1.791 39.608 38.000 -0.304 0.000 1.338 930 I HN 0.587 nan 8.210 nan 0.000 0.482 931 T N 0.787 115.485 114.554 0.240 0.000 2.886 931 T HA 0.487 4.648 4.350 -0.316 0.000 0.330 931 T C -1.934 173.038 174.700 0.453 0.000 1.488 931 T CA -0.681 61.644 62.100 0.375 0.000 1.054 931 T CB 1.754 70.737 68.868 0.190 0.000 1.348 931 T HN 0.953 nan 8.240 nan 0.000 0.489 932 K N 2.595 123.246 120.400 0.418 0.000 2.557 932 K HA 0.468 4.599 4.320 -0.316 0.000 0.257 932 K C -0.392 176.296 176.600 0.146 0.000 0.933 932 K CA -0.443 55.960 56.287 0.192 0.000 0.820 932 K CB 1.002 33.452 32.500 -0.084 0.000 1.330 932 K HN 0.640 nan 8.250 nan 0.000 0.432 933 N N 2.492 121.229 118.700 0.062 0.000 2.721 933 N HA -0.221 4.329 4.740 -0.316 0.000 0.249 933 N C 0.483 176.027 175.510 0.057 0.000 1.072 933 N CA 2.313 55.391 53.050 0.047 0.000 0.710 933 N CB -1.125 37.383 38.487 0.035 0.000 0.993 933 N HN 1.105 nan 8.380 nan 0.000 0.547 934 G N -3.246 105.589 108.800 0.059 0.000 2.176 934 G HA2 -0.266 3.504 3.960 -0.316 0.000 0.253 934 G HA3 -0.266 3.504 3.960 -0.316 0.000 0.253 934 G C -0.015 174.897 174.900 0.020 0.000 0.979 934 G CA 0.282 45.404 45.100 0.037 0.000 0.641 934 G HN 0.773 nan 8.290 nan 0.000 0.530 935 V N 1.205 121.141 119.914 0.036 0.000 2.435 935 V HA 0.623 4.553 4.120 -0.316 0.000 0.290 935 V C 0.589 176.609 176.094 -0.123 0.000 1.030 935 V CA -0.856 61.382 62.300 -0.104 0.000 0.881 935 V CB 1.901 33.596 31.823 -0.214 0.000 0.983 935 V HN 0.238 nan 8.190 nan 0.000 0.445 936 V N 5.626 125.421 119.914 -0.200 0.000 2.383 936 V HA 0.389 4.320 4.120 -0.316 0.000 0.275 936 V C -0.825 175.128 176.094 -0.235 0.000 1.036 936 V CA -0.485 61.756 62.300 -0.098 0.000 0.889 936 V CB 0.711 32.511 31.823 -0.039 0.000 0.985 936 V HN 0.748 nan 8.190 nan 0.000 0.459 937 Y N 4.628 124.940 120.300 0.019 0.000 2.328 937 Y HA 0.665 5.025 4.550 -0.317 0.000 0.337 937 Y C 0.565 176.440 175.900 -0.042 0.000 0.966 937 Y CA -0.701 57.393 58.100 -0.011 0.000 1.136 937 Y CB 1.354 39.791 38.460 -0.038 0.000 1.170 937 Y HN 0.520 nan 8.280 nan 0.000 0.470 938 R N 1.980 122.544 120.500 0.107 0.000 2.856 938 R HA 0.591 4.741 4.340 -0.316 0.000 0.258 938 R C -0.904 175.441 176.300 0.075 0.000 1.066 938 R CA -1.239 54.901 56.100 0.068 0.000 1.045 938 R CB 1.310 31.642 30.300 0.053 0.000 1.178 938 R HN 0.582 nan 8.270 nan 0.000 0.499 939 L N 1.301 122.560 121.223 0.060 0.000 2.540 939 L HA 0.025 4.176 4.340 -0.316 0.000 0.276 939 L C 1.310 178.243 176.870 0.105 0.000 1.212 939 L CA 1.171 56.055 54.840 0.073 0.000 0.893 939 L CB 0.336 42.434 42.059 0.065 0.000 1.138 939 L HN 1.088 nan 8.230 nan 0.000 0.491 940 G N 1.510 110.393 108.800 0.140 0.000 2.217 940 G HA2 -0.225 3.545 3.960 -0.316 0.000 0.246 940 G HA3 -0.225 3.545 3.960 -0.316 0.000 0.246 940 G C 0.134 175.152 174.900 0.196 0.000 0.990 940 G CA -0.195 45.016 45.100 0.186 0.000 0.627 940 G HN 0.602 nan 8.290 nan 0.000 0.522 941 D N 0.877 121.374 120.400 0.161 0.000 2.344 941 D HA 0.600 5.050 4.640 -0.316 0.000 0.244 941 D C 0.499 176.908 176.300 0.182 0.000 1.134 941 D CA 0.418 54.512 54.000 0.157 0.000 0.930 941 D CB 1.283 42.161 40.800 0.130 0.000 1.175 941 D HN 0.155 nan 8.370 nan 0.000 0.437 942 S N -0.242 115.553 115.700 0.157 0.000 2.651 942 S HA 0.632 4.912 4.470 -0.316 0.000 0.291 942 S C -0.433 174.197 174.600 0.051 0.000 1.141 942 S CA -0.715 57.567 58.200 0.137 0.000 1.027 942 S CB 1.766 65.040 63.200 0.123 0.000 1.043 942 S HN 0.155 nan 8.310 nan 0.000 0.530 943 V N 2.245 122.174 119.914 0.026 0.000 2.876 943 V HA 0.449 4.379 4.120 -0.316 0.000 0.312 943 V C -1.604 174.446 176.094 -0.073 0.000 1.085 943 V CA -0.717 61.584 62.300 0.001 0.000 0.945 943 V CB 1.825 33.680 31.823 0.053 0.000 1.017 943 V HN 0.805 nan 8.190 nan 0.000 0.428 944 Y N 4.390 124.627 120.300 -0.105 0.000 2.299 944 Y HA 0.725 5.086 4.550 -0.316 0.000 0.326 944 Y C 0.102 175.765 175.900 -0.394 0.000 1.164 944 Y CA -0.826 57.073 58.100 -0.334 0.000 1.234 944 Y CB 1.183 39.244 38.460 -0.664 0.000 1.219 944 Y HN 0.389 nan 8.280 nan 0.000 0.497 945 L N 4.615 125.726 121.223 -0.187 0.000 2.424 945 L HA 0.537 4.687 4.340 -0.316 0.000 0.258 945 L C -2.537 174.253 176.870 -0.133 0.000 0.995 945 L CA -2.288 52.437 54.840 -0.191 0.000 0.821 945 L CB 2.872 44.849 42.059 -0.136 0.000 1.383 945 L HN 0.392 nan 8.230 nan 0.000 0.410 946 P HA 0.083 nan 4.420 nan 0.000 0.268 946 P C -2.215 175.027 177.300 -0.096 0.000 1.208 946 P CA -0.961 62.133 63.100 -0.010 0.000 0.777 946 P CB 0.089 31.766 31.700 -0.038 0.000 0.875 947 P HA -0.194 nan 4.420 nan 0.000 0.218 947 P C 0.904 178.103 177.300 -0.168 0.000 1.146 947 P CA 1.592 64.629 63.100 -0.105 0.000 0.813 947 P CB -0.195 31.482 31.700 -0.038 0.000 0.778 948 E N -1.095 119.028 120.200 -0.129 0.000 2.444 948 E HA 0.208 4.368 4.350 -0.316 0.000 0.191 948 E C 1.451 177.969 176.600 -0.137 0.000 1.041 948 E CA 0.172 56.504 56.400 -0.113 0.000 0.883 948 E CB -0.609 29.056 29.700 -0.058 0.000 1.024 948 E HN 0.085 nan 8.360 nan 0.000 0.470 949 A N 1.431 124.119 122.820 -0.221 0.000 1.877 949 A HA 0.117 4.247 4.320 -0.316 0.000 0.216 949 A C 1.039 178.569 177.584 -0.091 0.000 1.186 949 A CA 1.436 53.367 52.037 -0.176 0.000 0.620 949 A CB -0.430 18.433 19.000 -0.228 0.000 0.822 949 A HN 0.436 nan 8.150 nan 0.000 0.443 950 F N -4.852 115.009 119.950 -0.148 0.000 2.804 950 F HA 0.722 5.060 4.527 -0.316 0.000 0.323 950 F C -0.561 175.086 175.800 -0.255 0.000 1.171 950 F CA -0.907 56.975 58.000 -0.197 0.000 0.950 950 F CB 1.008 39.864 39.000 -0.241 0.000 1.404 950 F HN -0.234 nan 8.300 nan 0.000 0.493 951 T N 0.780 115.432 114.554 0.163 0.000 2.908 951 T HA 0.595 4.755 4.350 -0.316 0.000 0.290 951 T C -1.378 173.276 174.700 -0.078 0.000 1.034 951 T CA -0.406 61.708 62.100 0.023 0.000 1.010 951 T CB 1.087 69.984 68.868 0.049 0.000 1.068 951 T HN 0.410 nan 8.240 nan 0.000 0.481 952 F N 2.123 122.136 119.950 0.106 0.000 2.379 952 F HA 0.376 4.714 4.527 -0.316 0.000 0.332 952 F C 1.751 177.616 175.800 0.108 0.000 1.096 952 F CA -0.679 57.356 58.000 0.059 0.000 1.105 952 F CB 0.811 39.809 39.000 -0.005 0.000 1.189 952 F HN 0.456 nan 8.300 nan 0.000 0.515 953 N N 1.353 120.247 118.700 0.324 0.000 2.463 953 N HA 0.009 4.560 4.740 -0.316 0.000 0.181 953 N C 0.487 176.120 175.510 0.205 0.000 1.078 953 N CA 0.270 53.440 53.050 0.200 0.000 0.902 953 N CB 0.056 38.621 38.487 0.130 0.000 0.970 953 N HN 0.509 nan 8.380 nan 0.000 0.451 954 I N 1.408 122.165 120.570 0.313 0.000 2.752 954 I HA -0.095 3.885 4.170 -0.316 0.000 0.287 954 I C 0.005 176.224 176.117 0.170 0.000 1.188 954 I CA 0.007 61.449 61.300 0.237 0.000 1.427 954 I CB 0.559 38.756 38.000 0.329 0.000 1.365 954 I HN -0.120 nan 8.210 nan 0.000 0.585 955 K N 6.009 126.477 120.400 0.112 0.000 2.234 955 K HA 0.443 4.574 4.320 -0.316 0.000 0.282 955 K C -1.223 175.431 176.600 0.090 0.000 1.039 955 K CA -0.522 55.817 56.287 0.087 0.000 0.928 955 K CB 1.637 34.170 32.500 0.054 0.000 1.039 955 K HN 0.362 nan 8.250 nan 0.000 0.470 956 V N 2.815 122.781 119.914 0.087 0.000 2.409 956 V HA 0.270 4.200 4.120 -0.316 0.000 0.290 956 V C -0.278 175.855 176.094 0.065 0.000 1.017 956 V CA -1.083 61.265 62.300 0.080 0.000 0.841 956 V CB 1.406 33.282 31.823 0.090 0.000 1.003 956 V HN 0.905 nan 8.190 nan 0.000 0.426 957 A N 3.784 126.638 122.820 0.056 0.000 2.492 957 A HA 0.457 4.587 4.320 -0.316 0.000 0.254 957 A C 0.873 178.487 177.584 0.050 0.000 1.091 957 A CA 0.368 52.433 52.037 0.047 0.000 0.768 957 A CB 0.278 19.301 19.000 0.040 0.000 1.028 957 A HN 1.227 nan 8.150 nan 0.000 0.498 958 S N 4.081 119.808 115.700 0.046 0.000 2.673 958 S HA 0.162 4.442 4.470 -0.316 0.000 0.308 958 S C -1.991 172.635 174.600 0.043 0.000 1.246 958 S CA -0.841 57.386 58.200 0.045 0.000 1.077 958 S CB -0.528 62.694 63.200 0.037 0.000 0.814 958 S HN 0.539 nan 8.310 nan 0.000 0.503 959 P HA 0.055 nan 4.420 nan 0.000 0.257 959 P C 0.943 178.266 177.300 0.038 0.000 1.162 959 P CA 0.479 63.608 63.100 0.048 0.000 0.762 959 P CB 0.035 31.767 31.700 0.052 0.000 0.753 960 V N 1.639 121.575 119.914 0.037 0.000 2.982 960 V HA -0.194 3.736 4.120 -0.316 0.000 0.265 960 V C 1.566 177.676 176.094 0.027 0.000 1.122 960 V CA 2.524 64.842 62.300 0.030 0.000 1.143 960 V CB -2.095 29.746 31.823 0.030 0.000 0.726 960 V HN 0.866 nan 8.190 nan 0.000 0.507 961 K N -1.138 119.280 120.400 0.030 0.000 2.179 961 K HA 0.235 4.365 4.320 -0.316 0.000 0.144 961 K C 0.624 177.237 176.600 0.021 0.000 1.469 961 K CA 3.597 59.899 56.287 0.025 0.000 0.623 961 K CB -1.654 30.857 32.500 0.019 0.000 0.552 961 K HN 2.558 nan 8.250 nan 0.000 0.958 962 R N 0.020 120.527 120.500 0.012 0.000 2.594 962 R HA 0.678 4.829 4.340 -0.316 0.000 0.265 962 R C -2.308 173.990 176.300 -0.003 0.000 1.070 962 R CA -0.291 55.813 56.100 0.006 0.000 0.909 962 R CB -0.168 30.134 30.300 0.004 0.000 1.243 962 R HN 1.137 nan 8.270 nan 0.000 0.455 963 P HA 0.417 nan 4.420 nan 0.000 0.274 963 P C 0.020 177.308 177.300 -0.020 0.000 1.264 963 P CA -0.124 62.970 63.100 -0.009 0.000 0.795 963 P CB 0.250 31.945 31.700 -0.007 0.000 1.064 964 K N -0.129 120.259 120.400 -0.019 0.000 2.550 964 K HA 0.388 4.519 4.320 -0.316 0.000 0.280 964 K C 0.690 177.263 176.600 -0.045 0.000 0.987 964 K CA 0.619 56.890 56.287 -0.027 0.000 1.048 964 K CB -1.452 31.038 32.500 -0.016 0.000 0.879 964 K HN 0.753 nan 8.250 nan 0.000 0.491 965 K N 1.189 121.548 120.400 -0.069 0.000 2.229 965 K HA 0.434 4.564 4.320 -0.316 0.000 0.250 965 K C 0.771 177.306 176.600 -0.107 0.000 1.016 965 K CA 0.554 56.770 56.287 -0.118 0.000 0.866 965 K CB -0.857 31.533 32.500 -0.183 0.000 1.028 965 K HN 1.494 nan 8.250 nan 0.000 0.514 966 D N 2.488 122.802 120.400 -0.144 0.000 2.488 966 D HA 0.350 4.800 4.640 -0.316 0.000 0.238 966 D C -1.051 175.167 176.300 -0.136 0.000 1.138 966 D CA -0.435 53.493 54.000 -0.119 0.000 0.873 966 D CB -0.528 40.200 40.800 -0.120 0.000 1.183 966 D HN 0.636 nan 8.370 nan 0.000 0.458 967 P HA 0.593 nan 4.420 nan 0.000 0.274 967 P C -0.504 176.708 177.300 -0.147 0.000 1.237 967 P CA -0.241 62.797 63.100 -0.105 0.000 0.793 967 P CB 1.018 32.685 31.700 -0.054 0.000 0.977 968 V N 0.790 120.595 119.914 -0.181 0.000 3.130 968 V HA 0.417 4.347 4.120 -0.316 0.000 0.310 968 V C -0.043 176.029 176.094 -0.036 0.000 1.158 968 V CA -1.351 60.857 62.300 -0.153 0.000 1.029 968 V CB 1.864 33.459 31.823 -0.380 0.000 1.057 968 V HN 0.630 nan 8.190 nan 0.000 0.436 969 N N 1.664 120.400 118.700 0.060 0.000 2.442 969 N HA 0.125 4.675 4.740 -0.316 0.000 0.265 969 N C 0.503 176.058 175.510 0.075 0.000 1.138 969 N CA 0.321 53.403 53.050 0.054 0.000 0.956 969 N CB 1.487 40.002 38.487 0.046 0.000 1.067 969 N HN 0.821 nan 8.380 nan 0.000 0.474 970 E N 1.799 122.018 120.200 0.031 0.000 2.481 970 E HA -0.024 4.136 4.350 -0.316 0.000 0.195 970 E C 0.643 177.236 176.600 -0.012 0.000 1.047 970 E CA 0.534 56.954 56.400 0.033 0.000 0.867 970 E CB 0.386 30.092 29.700 0.009 0.000 0.858 970 E HN 0.625 nan 8.360 nan 0.000 0.513 971 T N 1.258 115.795 114.554 -0.028 0.000 2.937 971 T HA -0.061 4.099 4.350 -0.316 0.000 0.260 971 T C 1.720 176.376 174.700 -0.074 0.000 1.051 971 T CA 0.280 62.349 62.100 -0.051 0.000 1.141 971 T CB 0.008 68.854 68.868 -0.038 0.000 0.879 971 T HN 0.061 nan 8.240 nan 0.000 0.459 972 L N 0.320 121.474 121.223 -0.113 0.000 2.093 972 L HA 0.087 4.238 4.340 -0.316 0.000 0.208 972 L C -0.123 176.441 176.870 -0.510 0.000 1.085 972 L CA 1.573 56.224 54.840 -0.314 0.000 0.755 972 L CB -0.389 41.459 42.059 -0.351 0.000 0.904 972 L HN 0.275 nan 8.230 nan 0.000 0.435 973 Y N 0.210 120.500 120.300 -0.016 0.000 2.747 973 Y HA 0.382 4.742 4.550 -0.318 0.000 0.362 973 Y C -1.677 174.235 175.900 0.020 0.000 1.026 973 Y CA -2.220 55.878 58.100 -0.003 0.000 1.135 973 Y CB 0.151 38.584 38.460 -0.044 0.000 1.175 973 Y HN 0.112 nan 8.280 nan 0.000 0.643 974 P HA -0.096 nan 4.420 nan 0.000 0.230 974 P C 0.522 177.920 177.300 0.163 0.000 1.158 974 P CA 1.308 64.430 63.100 0.038 0.000 0.769 974 P CB 0.678 32.322 31.700 -0.093 0.000 0.807 975 E N -2.054 118.216 120.200 0.116 0.000 2.526 975 E HA -0.014 4.146 4.350 -0.316 0.000 0.208 975 E C 1.665 178.058 176.600 -0.345 0.000 0.997 975 E CA -0.093 56.235 56.400 -0.121 0.000 0.961 975 E CB -0.821 28.730 29.700 -0.248 0.000 1.030 975 E HN 0.443 nan 8.360 nan 0.000 0.483 976 H N 0.591 119.554 119.070 -0.179 0.000 2.460 976 H HA -0.198 4.168 4.556 -0.316 0.000 0.297 976 H C 1.687 176.837 175.328 -0.297 0.000 1.103 976 H CA 1.737 57.651 56.048 -0.223 0.000 1.292 976 H CB 0.200 29.903 29.762 -0.099 0.000 1.376 976 H HN 0.322 nan 8.280 nan 0.000 0.531 977 Y N 0.415 120.545 120.300 -0.284 0.000 2.421 977 Y HA 0.011 4.373 4.550 -0.314 0.000 0.292 977 Y C 2.043 177.416 175.900 -0.879 0.000 1.136 977 Y CA 0.460 58.298 58.100 -0.437 0.000 1.255 977 Y CB -0.461 37.798 38.460 -0.335 0.000 0.991 977 Y HN -0.059 nan 8.280 nan 0.000 0.552 978 R N 1.146 120.701 120.500 -1.576 0.000 2.323 978 R HA 0.044 4.194 4.340 -0.316 0.000 0.198 978 R C 1.147 176.862 176.300 -0.975 0.000 0.988 978 R CA 0.529 55.644 56.100 -1.643 0.000 1.041 978 R CB -0.150 29.289 30.300 -1.435 0.000 0.926 978 R HN 0.432 nan 8.270 nan 0.000 0.476 979 K N -0.105 119.856 120.400 -0.731 0.000 2.487 979 K HA -0.032 4.099 4.320 -0.316 0.000 0.192 979 K C 0.308 176.768 176.600 -0.233 0.000 1.027 979 K CA 0.070 56.088 56.287 -0.448 0.000 1.054 979 K CB -0.032 32.163 32.500 -0.507 0.000 0.824 979 K HN 0.020 nan 8.250 nan 0.000 0.510 980 Y N 1.596 121.730 120.300 -0.276 0.000 1.657 980 Y HA -0.440 3.920 4.550 -0.316 0.000 0.129 980 Y C 1.684 177.527 175.900 -0.094 0.000 0.911 980 Y CA 1.310 59.322 58.100 -0.148 0.000 0.638 980 Y CB -1.385 37.000 38.460 -0.125 0.000 0.592 980 Y HN 0.311 nan 8.280 nan 0.000 0.685 990 D N 0.075 120.453 120.400 -0.037 0.000 2.441 990 D HA 0.559 5.009 4.640 -0.316 0.000 0.210 990 D C 1.104 177.379 176.300 -0.040 0.000 1.102 990 D CA 1.141 55.124 54.000 -0.028 0.000 0.840 990 D CB 1.541 42.332 40.800 -0.015 0.000 0.990 990 D HN 0.887 nan 8.370 nan 0.000 0.505 991 A N 1.894 124.678 122.820 -0.060 0.000 2.440 991 A HA 0.464 4.594 4.320 -0.316 0.000 0.251 991 A C -1.981 175.584 177.584 -0.031 0.000 1.089 991 A CA -0.774 51.221 52.037 -0.070 0.000 0.779 991 A CB 0.143 19.085 19.000 -0.095 0.000 1.022 991 A HN -0.042 nan 8.150 nan 0.000 0.492 992 P HA 0.192 nan 4.420 nan 0.000 0.280 992 P C -0.193 177.105 177.300 -0.003 0.000 1.278 992 P CA -0.316 62.774 63.100 -0.017 0.000 0.787 992 P CB 0.381 32.061 31.700 -0.032 0.000 1.163 993 E N 0.701 120.903 120.200 0.003 0.000 2.319 993 E HA 0.234 4.394 4.350 -0.316 0.000 0.268 993 E C -1.952 174.622 176.600 -0.044 0.000 1.050 993 E CA -1.825 54.586 56.400 0.019 0.000 0.878 993 E CB 0.143 29.869 29.700 0.042 0.000 1.066 993 E HN 0.390 nan 8.360 nan 0.000 0.406 994 P HA -0.051 nan 4.420 nan 0.000 0.274 994 P C -0.689 176.542 177.300 -0.115 0.000 1.260 994 P CA -0.143 62.854 63.100 -0.171 0.000 0.793 994 P CB 0.361 31.999 31.700 -0.103 0.000 1.048 995 Y N -0.297 119.896 120.300 -0.177 0.000 2.757 995 Y HA -0.015 4.346 4.550 -0.315 0.000 0.344 995 Y C 1.810 177.643 175.900 -0.111 0.000 1.263 995 Y CA 0.602 58.598 58.100 -0.174 0.000 1.493 995 Y CB -0.225 38.075 38.460 -0.267 0.000 1.342 995 Y HN 0.139 nan 8.280 nan 0.000 0.627 996 R N 2.946 123.462 120.500 0.027 0.000 2.539 996 R HA 0.425 4.575 4.340 -0.316 0.000 0.275 996 R C -0.566 175.769 176.300 0.058 0.000 1.077 996 R CA -0.294 55.744 56.100 -0.104 0.000 1.097 996 R CB 0.397 30.309 30.300 -0.646 0.000 1.018 996 R HN 0.645 nan 8.270 nan 0.000 0.483 997 I N -0.002 120.663 120.570 0.158 0.000 2.608 997 I HA 0.524 4.505 4.170 -0.316 0.000 0.295 997 I C 0.308 176.636 176.117 0.350 0.000 1.049 997 I CA -0.828 60.573 61.300 0.168 0.000 1.063 997 I CB 2.548 40.519 38.000 -0.049 0.000 1.248 997 I HN 0.579 nan 8.210 nan 0.000 0.424 998 G N 3.474 112.453 108.800 0.299 0.000 2.719 998 G HA2 0.592 4.362 3.960 -0.316 0.000 0.298 998 G HA3 0.592 4.362 3.960 -0.316 0.000 0.298 998 G C -1.638 173.412 174.900 0.250 0.000 1.411 998 G CA -0.772 44.479 45.100 0.252 0.000 0.991 998 G HN 0.556 nan 8.290 nan 0.000 0.509 999 R N 1.433 122.067 120.500 0.222 0.000 2.357 999 R HA 0.480 4.630 4.340 -0.316 0.000 0.296 999 R C 0.284 176.665 176.300 0.135 0.000 1.052 999 R CA -0.544 55.726 56.100 0.283 0.000 0.988 999 R CB 0.477 31.039 30.300 0.437 0.000 1.025 999 R HN 0.420 nan 8.270 nan 0.000 0.469 1000 I N 5.202 125.848 120.570 0.127 0.000 2.517 1000 I HA -0.014 3.966 4.170 -0.316 0.000 0.285 1000 I C 1.251 177.391 176.117 0.037 0.000 1.106 1000 I CA 0.350 61.675 61.300 0.042 0.000 1.402 1000 I CB 1.173 39.199 38.000 0.043 0.000 1.399 1000 I HN 0.776 nan 8.210 nan 0.000 0.535 1001 K N 5.073 125.427 120.400 -0.076 0.000 2.240 1001 K HA 0.214 4.344 4.320 -0.316 0.000 0.202 1001 K C 0.234 176.816 176.600 -0.029 0.000 1.053 1001 K CA 0.561 56.786 56.287 -0.103 0.000 0.973 1001 K CB 0.583 32.843 32.500 -0.400 0.000 0.924 1001 K HN 0.617 nan 8.250 nan 0.000 0.477 1002 E N -0.051 120.141 120.200 -0.014 0.000 2.393 1002 E HA 0.446 4.606 4.350 -0.316 0.000 0.273 1002 E C -1.338 175.303 176.600 0.067 0.000 0.918 1002 E CA -0.692 55.767 56.400 0.098 0.000 0.773 1002 E CB 2.799 32.633 29.700 0.224 0.000 1.275 1002 E HN 0.069 nan 8.360 nan 0.000 0.451 1003 I N 2.732 123.363 120.570 0.100 0.000 2.500 1003 I HA 0.308 4.288 4.170 -0.316 0.000 0.286 1003 I C -0.986 175.085 176.117 -0.077 0.000 1.063 1003 I CA -0.712 60.544 61.300 -0.074 0.000 1.062 1003 I CB 1.253 39.179 38.000 -0.123 0.000 1.223 1003 I HN 0.477 nan 8.210 nan 0.000 0.435 1004 H N 4.677 123.587 119.070 -0.266 0.000 2.894 1004 H HA 0.721 5.087 4.556 -0.316 0.000 0.367 1004 H C -1.339 173.811 175.328 -0.296 0.000 1.144 1004 H CA -0.864 54.913 56.048 -0.452 0.000 1.180 1004 H CB 1.787 30.939 29.762 -1.016 0.000 1.758 1004 H HN 0.722 nan 8.280 nan 0.000 0.541 1005 C N 0.694 119.899 119.300 -0.158 0.000 3.044 1005 C HA 0.904 5.174 4.460 -0.316 0.000 0.315 1005 C C 1.126 176.080 174.990 -0.061 0.000 1.320 1005 C CA -0.260 58.691 59.018 -0.112 0.000 1.582 1005 C CB 1.208 28.892 27.740 -0.094 0.000 2.039 1005 C HN 1.092 nan 8.230 nan 0.000 0.466 1006 G N 0.473 109.248 108.800 -0.041 0.000 2.489 1006 G HA2 0.611 4.382 3.960 -0.316 0.000 0.271 1006 G HA3 0.611 4.382 3.960 -0.316 0.000 0.271 1006 G C -0.969 173.917 174.900 -0.024 0.000 1.427 1006 G CA -0.570 44.514 45.100 -0.027 0.000 1.057 1006 G HN 0.895 nan 8.290 nan 0.000 0.532 1007 K N -1.236 119.154 120.400 -0.017 0.000 2.502 1007 K HA 0.672 4.803 4.320 -0.316 0.000 0.257 1007 K C -0.801 175.793 176.600 -0.010 0.000 0.938 1007 K CA -0.691 55.588 56.287 -0.013 0.000 0.819 1007 K CB 2.219 34.712 32.500 -0.010 0.000 1.333 1007 K HN 0.629 nan 8.250 nan 0.000 0.434 1008 K N 0.685 121.079 120.400 -0.009 0.000 2.471 1008 K HA 0.583 4.713 4.320 -0.316 0.000 0.252 1008 K C 0.010 176.606 176.600 -0.006 0.000 0.938 1008 K CA -0.193 56.089 56.287 -0.007 0.000 0.796 1008 K CB 1.048 33.544 32.500 -0.008 0.000 1.161 1008 K HN 0.880 nan 8.250 nan 0.000 0.425 1009 K N 0.256 120.653 120.400 -0.005 0.000 3.071 1009 K HA 0.034 4.165 4.320 -0.316 0.000 0.265 1009 K C 1.962 178.560 176.600 -0.004 0.000 1.060 1009 K CA 2.023 58.308 56.287 -0.004 0.000 0.767 1009 K CB -2.722 29.775 32.500 -0.004 0.000 1.241 1009 K HN 2.846 nan 8.250 nan 0.000 0.486 1010 G N -3.805 104.993 108.800 -0.004 0.000 2.175 1010 G HA2 0.246 4.016 3.960 -0.316 0.000 0.265 1010 G HA3 0.246 4.016 3.960 -0.316 0.000 0.265 1010 G C 0.496 175.395 174.900 -0.002 0.000 0.979 1010 G CA 1.926 47.025 45.100 -0.002 0.000 0.663 1010 G HN 2.349 nan 8.290 nan 0.000 0.533 1011 K N -0.238 120.160 120.400 -0.003 0.000 2.295 1011 K HA 0.909 5.040 4.320 -0.316 0.000 0.239 1011 K C 0.486 177.083 176.600 -0.005 0.000 0.991 1011 K CA -0.099 56.187 56.287 -0.003 0.000 0.845 1011 K CB 1.251 33.749 32.500 -0.003 0.000 1.197 1011 K HN 1.377 nan 8.250 nan 0.000 0.441 1012 V N 0.957 120.867 119.914 -0.005 0.000 2.599 1012 V HA 0.054 3.984 4.120 -0.316 0.000 0.300 1012 V C 0.610 176.699 176.094 -0.009 0.000 1.034 1012 V CA -0.490 61.804 62.300 -0.009 0.000 1.115 1012 V CB 0.163 31.981 31.823 -0.008 0.000 0.934 1012 V HN 0.906 nan 8.190 nan 0.000 0.485 1013 N N 3.107 121.800 118.700 -0.013 0.000 2.521 1013 N HA 0.150 4.700 4.740 -0.316 0.000 0.236 1013 N C 0.873 176.377 175.510 -0.009 0.000 1.067 1013 N CA -0.397 52.647 53.050 -0.011 0.000 0.939 1013 N CB 0.556 39.034 38.487 -0.014 0.000 1.201 1013 N HN 0.757 nan 8.380 nan 0.000 0.511 1014 E N 2.057 122.258 120.200 0.002 0.000 2.347 1014 E HA -0.093 4.067 4.350 -0.316 0.000 0.196 1014 E C 1.393 178.010 176.600 0.029 0.000 1.008 1014 E CA 0.399 56.811 56.400 0.020 0.000 0.852 1014 E CB 0.179 29.897 29.700 0.030 0.000 0.783 1014 E HN 0.649 nan 8.360 nan 0.000 0.505 1015 A N 1.157 123.982 122.820 0.008 0.000 2.235 1015 A HA -0.075 4.055 4.320 -0.316 0.000 0.208 1015 A C 0.919 178.500 177.584 -0.005 0.000 1.172 1015 A CA 0.696 52.733 52.037 -0.001 0.000 0.786 1015 A CB 0.111 19.104 19.000 -0.012 0.000 0.804 1015 A HN 0.048 nan 8.150 nan 0.000 0.479 1016 D N -0.429 119.966 120.400 -0.007 0.000 2.895 1016 D HA 0.274 4.725 4.640 -0.316 0.000 0.350 1016 D C -0.470 175.801 176.300 -0.050 0.000 1.389 1016 D CA -0.331 53.654 54.000 -0.025 0.000 0.812 1016 D CB -0.226 40.557 40.800 -0.028 0.000 1.164 1016 D HN 0.312 nan 8.370 nan 0.000 0.455 1017 I N 1.037 121.592 120.570 -0.025 0.000 2.441 1017 I HA 0.242 4.222 4.170 -0.316 0.000 0.287 1017 I C 0.587 176.621 176.117 -0.138 0.000 1.049 1017 I CA -0.129 61.117 61.300 -0.090 0.000 1.381 1017 I CB 0.946 38.920 38.000 -0.044 0.000 1.409 1017 I HN -0.215 nan 8.210 nan 0.000 0.523 1018 K N 6.816 127.017 120.400 -0.332 0.000 2.375 1018 K HA 0.725 4.856 4.320 -0.316 0.000 0.249 1018 K C -1.280 175.043 176.600 -0.463 0.000 0.942 1018 K CA -0.812 55.247 56.287 -0.380 0.000 0.806 1018 K CB 2.693 34.920 32.500 -0.454 0.000 1.227 1018 K HN 0.445 nan 8.250 nan 0.000 0.430 1019 L N 2.148 123.201 121.223 -0.283 0.000 2.365 1019 L HA 0.552 4.702 4.340 -0.316 0.000 0.273 1019 L C -0.346 176.436 176.870 -0.146 0.000 1.000 1019 L CA -1.001 53.709 54.840 -0.217 0.000 0.819 1019 L CB 1.876 43.833 42.059 -0.170 0.000 1.284 1019 L HN 0.547 nan 8.230 nan 0.000 0.418 1020 R N 3.756 124.193 120.500 -0.105 0.000 2.338 1020 R HA 0.787 4.937 4.340 -0.316 0.000 0.317 1020 R C -1.712 174.471 176.300 -0.194 0.000 0.968 1020 R CA -0.370 55.663 56.100 -0.112 0.000 0.849 1020 R CB 0.967 31.243 30.300 -0.041 0.000 1.128 1020 R HN 0.621 nan 8.270 nan 0.000 0.448 1021 L N 3.860 124.929 121.223 -0.256 0.000 2.354 1021 L HA 0.462 4.613 4.340 -0.316 0.000 0.269 1021 L C -0.914 175.697 176.870 -0.432 0.000 1.005 1021 L CA -1.392 53.276 54.840 -0.288 0.000 0.819 1021 L CB 1.613 43.562 42.059 -0.183 0.000 1.311 1021 L HN 0.560 nan 8.230 nan 0.000 0.423 1022 Y N 1.611 121.711 120.300 -0.333 0.000 2.436 1022 Y HA 0.170 4.530 4.550 -0.316 0.000 0.343 1022 Y C 0.394 175.862 175.900 -0.719 0.000 1.008 1022 Y CA -0.521 57.227 58.100 -0.587 0.000 1.241 1022 Y CB 0.298 38.251 38.460 -0.845 0.000 1.153 1022 Y HN 0.319 nan 8.280 nan 0.000 0.521 1023 K N 3.666 123.744 120.400 -0.536 0.000 2.401 1023 K HA 0.158 4.288 4.320 -0.316 0.000 0.278 1023 K C -0.993 175.367 176.600 -0.400 0.000 1.018 1023 K CA 0.097 56.089 56.287 -0.492 0.000 0.981 1023 K CB 0.373 32.532 32.500 -0.569 0.000 0.933 1023 K HN 0.362 nan 8.250 nan 0.000 0.477 1024 F N 1.872 121.815 119.950 -0.012 0.000 2.422 1024 F HA 0.255 4.593 4.527 -0.316 0.000 0.333 1024 F C -0.016 175.947 175.800 0.272 0.000 1.095 1024 F CA -0.539 57.507 58.000 0.077 0.000 1.038 1024 F CB 0.783 39.801 39.000 0.029 0.000 1.156 1024 F HN 0.348 nan 8.300 nan 0.000 0.483 1025 Y N 2.769 123.342 120.300 0.455 0.000 2.326 1025 Y HA 0.449 4.809 4.550 -0.317 0.000 0.337 1025 Y C 0.447 176.475 175.900 0.214 0.000 1.023 1025 Y CA -0.637 57.629 58.100 0.275 0.000 1.143 1025 Y CB 0.950 39.523 38.460 0.188 0.000 1.183 1025 Y HN 0.408 nan 8.280 nan 0.000 0.485 1026 R N 4.689 125.300 120.500 0.186 0.000 2.582 1026 R HA 0.118 4.269 4.340 -0.316 0.000 0.271 1026 R C -1.738 174.630 176.300 0.113 0.000 1.078 1026 R CA -1.472 54.700 56.100 0.119 0.000 1.127 1026 R CB 0.112 30.445 30.300 0.055 0.000 1.038 1026 R HN 0.427 nan 8.270 nan 0.000 0.500 1027 P HA -0.252 nan 4.420 nan 0.000 0.216 1027 P C 0.756 177.990 177.300 -0.110 0.000 1.153 1027 P CA 1.381 64.540 63.100 0.099 0.000 0.858 1027 P CB 0.108 31.833 31.700 0.040 0.000 0.789 1028 E N -0.482 119.595 120.200 -0.204 0.000 2.478 1028 E HA -0.129 4.031 4.350 -0.316 0.000 0.198 1028 E C 0.957 177.302 176.600 -0.426 0.000 1.046 1028 E CA 0.934 57.061 56.400 -0.456 0.000 0.870 1028 E CB -1.253 27.985 29.700 -0.770 0.000 0.818 1028 E HN 0.407 nan 8.360 nan 0.000 0.527 1029 N N 1.019 119.542 118.700 -0.295 0.000 2.395 1029 N HA -0.048 4.502 4.740 -0.316 0.000 0.175 1029 N C 0.968 176.360 175.510 -0.197 0.000 1.029 1029 N CA 0.885 53.706 53.050 -0.380 0.000 0.897 1029 N CB 0.201 38.221 38.487 -0.777 0.000 0.991 1029 N HN 0.305 nan 8.380 nan 0.000 0.441 1030 T N -0.779 113.623 114.554 -0.252 0.000 2.681 1030 T HA -0.081 4.080 4.350 -0.316 0.000 0.333 1030 T C 1.471 175.974 174.700 -0.328 0.000 1.049 1030 T CA -0.153 61.598 62.100 -0.582 0.000 1.002 1030 T CB 0.227 68.390 68.868 -1.175 0.000 1.161 1030 T HN 0.274 nan 8.240 nan 0.000 0.519 1031 H N -0.058 118.896 119.070 -0.193 0.000 2.491 1031 H HA 0.051 4.417 4.556 -0.316 0.000 0.290 1031 H C 2.009 177.294 175.328 -0.071 0.000 1.050 1031 H CA 0.842 56.854 56.048 -0.060 0.000 1.309 1031 H CB -0.306 29.460 29.762 0.007 0.000 1.392 1031 H HN 0.591 nan 8.280 nan 0.000 0.554 1032 R N 0.941 121.114 120.500 -0.544 0.000 2.139 1032 R HA -0.127 4.023 4.340 -0.316 0.000 0.243 1032 R C 1.190 177.371 176.300 -0.199 0.000 1.145 1032 R CA 0.800 56.724 56.100 -0.293 0.000 0.976 1032 R CB -0.156 29.964 30.300 -0.300 0.000 0.866 1032 R HN 0.329 nan 8.270 nan 0.000 0.449 1033 S N -1.851 113.704 115.700 -0.242 0.000 3.118 1033 S HA -0.311 3.969 4.470 -0.316 0.000 0.631 1033 S C 0.888 175.266 174.600 -0.371 0.000 2.944 1033 S CA 1.062 59.090 58.200 -0.287 0.000 3.398 1033 S CB -1.102 62.042 63.200 -0.093 0.000 0.312 1033 S HN 0.363 nan 8.310 nan 0.000 1.625 1034 Y N 2.330 122.549 120.300 -0.136 0.000 2.176 1034 Y HA 0.077 4.438 4.550 -0.315 0.000 0.291 1034 Y C 2.363 177.904 175.900 -0.599 0.000 1.122 1034 Y CA 1.418 59.393 58.100 -0.207 0.000 1.128 1034 Y CB -0.611 37.817 38.460 -0.053 0.000 1.005 1034 Y HN 0.681 nan 8.280 nan 0.000 0.509 1035 N N -0.245 118.206 118.700 -0.416 0.000 2.417 1035 N HA -0.134 4.416 4.740 -0.316 0.000 0.187 1035 N C 1.716 176.853 175.510 -0.622 0.000 1.027 1035 N CA 1.179 53.766 53.050 -0.772 0.000 0.891 1035 N CB -0.504 37.864 38.487 -0.200 0.000 0.956 1035 N HN 0.422 nan 8.380 nan 0.000 0.442 1036 G N -0.273 108.298 108.800 -0.382 0.000 3.088 1036 G HA2 0.101 3.871 3.960 -0.316 0.000 0.217 1036 G HA3 0.101 3.871 3.960 -0.316 0.000 0.217 1036 G C 0.664 175.439 174.900 -0.208 0.000 1.159 1036 G CA -0.244 44.720 45.100 -0.226 0.000 0.760 1036 G HN 0.263 nan 8.290 nan 0.000 0.550 1037 S N -0.780 114.744 115.700 -0.293 0.000 2.900 1037 S HA 0.205 4.485 4.470 -0.316 0.000 0.253 1037 S C 1.073 175.647 174.600 -0.044 0.000 1.029 1037 S CA -0.648 57.475 58.200 -0.129 0.000 1.096 1037 S CB -0.228 62.913 63.200 -0.098 0.000 1.067 1037 S HN 0.456 nan 8.310 nan 0.000 0.610 1038 Y N 1.587 121.796 120.300 -0.152 0.000 2.193 1038 Y HA -0.210 4.152 4.550 -0.314 0.000 0.285 1038 Y C 2.405 178.192 175.900 -0.187 0.000 1.166 1038 Y CA 1.024 58.979 58.100 -0.242 0.000 1.181 1038 Y CB -0.129 38.027 38.460 -0.506 0.000 0.976 1038 Y HN 0.449 nan 8.280 nan 0.000 0.520 1039 H N -1.011 118.210 119.070 0.251 0.000 2.575 1039 H HA 0.095 4.461 4.556 -0.317 0.000 0.267 1039 H C 0.990 176.427 175.328 0.182 0.000 0.966 1039 H CA 0.770 56.936 56.048 0.197 0.000 1.165 1039 H CB -0.291 29.557 29.762 0.143 0.000 1.433 1039 H HN 0.176 nan 8.280 nan 0.000 0.544 1040 T N 0.081 114.769 114.554 0.223 0.000 2.899 1040 T HA 0.078 4.238 4.350 -0.316 0.000 0.295 1040 T C 0.224 175.036 174.700 0.187 0.000 1.033 1040 T CA -0.884 61.315 62.100 0.165 0.000 1.084 1040 T CB 1.375 70.282 68.868 0.065 0.000 0.979 1040 T HN -0.074 nan 8.240 nan 0.000 0.532 1041 D N 1.212 121.721 120.400 0.182 0.000 2.455 1041 D HA 0.066 4.516 4.640 -0.316 0.000 0.241 1041 D C 1.653 177.869 176.300 -0.140 0.000 1.138 1041 D CA -0.379 53.711 54.000 0.151 0.000 0.877 1041 D CB 0.593 41.572 40.800 0.297 0.000 1.187 1041 D HN 0.721 nan 8.370 nan 0.000 0.451 1042 I N -0.257 119.959 120.570 -0.590 0.000 2.850 1042 I HA -0.182 3.798 4.170 -0.316 0.000 0.266 1042 I C 1.095 177.053 176.117 -0.264 0.000 1.257 1042 I CA 0.886 61.866 61.300 -0.533 0.000 1.465 1042 I CB -0.315 37.047 38.000 -1.063 0.000 1.091 1042 I HN 0.157 nan 8.210 nan 0.000 0.467 1043 N N 1.108 119.646 118.700 -0.270 0.000 2.204 1043 N HA 0.141 4.691 4.740 -0.316 0.000 0.219 1043 N C 0.201 175.684 175.510 -0.045 0.000 1.151 1043 N CA -0.306 52.662 53.050 -0.137 0.000 0.867 1043 N CB 0.151 38.464 38.487 -0.289 0.000 1.043 1043 N HN 0.433 nan 8.380 nan 0.000 0.516 1044 M N 1.385 120.844 119.600 -0.235 0.000 2.216 1044 M HA 0.361 4.651 4.480 -0.316 0.000 0.356 1044 M C -1.208 174.904 176.300 -0.313 0.000 1.205 1044 M CA -0.283 54.617 55.300 -0.668 0.000 1.122 1044 M CB 0.926 33.127 32.600 -0.666 0.000 1.571 1044 M HN -0.004 nan 8.290 nan 0.000 0.464 1045 L N 3.233 124.268 121.223 -0.312 0.000 2.230 1045 L HA 0.593 4.744 4.340 -0.316 0.000 0.255 1045 L C -1.669 175.119 176.870 -0.137 0.000 1.039 1045 L CA -1.055 53.723 54.840 -0.103 0.000 0.846 1045 L CB 2.154 44.202 42.059 -0.018 0.000 1.419 1045 L HN 0.581 nan 8.230 nan 0.000 0.435 1046 Y N -0.466 120.051 120.300 0.361 0.000 2.391 1046 Y HA 0.247 4.607 4.550 -0.316 0.000 0.341 1046 Y C -0.383 175.806 175.900 0.482 0.000 0.965 1046 Y CA -0.658 57.705 58.100 0.438 0.000 1.067 1046 Y CB 1.715 40.405 38.460 0.384 0.000 1.199 1046 Y HN 0.420 nan 8.280 nan 0.000 0.450 1047 W N 3.207 124.681 121.300 0.290 0.000 2.112 1047 W HA 0.400 4.870 4.660 -0.316 0.000 0.349 1047 W C -0.472 176.072 176.519 0.042 0.000 1.289 1047 W CA 0.583 57.860 57.345 -0.114 0.000 1.256 1047 W CB 1.457 30.688 29.460 -0.382 0.000 1.148 1047 W HN 0.516 nan 8.180 nan 0.000 0.590 1048 S N 2.457 117.498 115.700 -1.098 0.000 2.537 1048 S HA 0.160 4.440 4.470 -0.316 0.000 0.271 1048 S C -0.405 173.682 174.600 -0.856 0.000 1.148 1048 S CA -0.657 57.226 58.200 -0.528 0.000 0.868 1048 S CB 1.472 64.655 63.200 -0.029 0.000 1.115 1048 S HN 0.475 nan 8.310 nan 0.000 0.461 1049 D N 1.926 122.185 120.400 -0.234 0.000 2.349 1049 D HA 0.152 4.602 4.640 -0.316 0.000 0.214 1049 D C -0.097 176.230 176.300 0.046 0.000 1.063 1049 D CA 0.168 54.160 54.000 -0.014 0.000 0.847 1049 D CB 0.353 41.252 40.800 0.164 0.000 0.933 1049 D HN 0.641 nan 8.370 nan 0.000 0.513 1050 E N 1.336 121.501 120.200 -0.058 0.000 2.414 1050 E HA 0.103 4.264 4.350 -0.316 0.000 0.263 1050 E C 0.011 176.504 176.600 -0.177 0.000 1.000 1050 E CA 0.539 56.888 56.400 -0.086 0.000 0.914 1050 E CB 0.956 30.612 29.700 -0.074 0.000 0.948 1050 E HN 0.134 nan 8.360 nan 0.000 0.444 1051 E N 0.643 120.726 120.200 -0.195 0.000 2.212 1051 E HA 0.604 4.764 4.350 -0.316 0.000 0.268 1051 E C -1.218 175.182 176.600 -0.333 0.000 0.902 1051 E CA -0.833 55.398 56.400 -0.282 0.000 0.779 1051 E CB 1.940 31.504 29.700 -0.227 0.000 1.172 1051 E HN 0.493 nan 8.360 nan 0.000 0.409 1052 A N 1.990 124.572 122.820 -0.398 0.000 2.449 1052 A HA 0.564 4.695 4.320 -0.316 0.000 0.302 1052 A C -1.017 176.446 177.584 -0.202 0.000 1.048 1052 A CA -0.632 51.192 52.037 -0.354 0.000 0.708 1052 A CB 1.343 19.950 19.000 -0.654 0.000 1.274 1052 A HN 0.358 nan 8.150 nan 0.000 0.410 1053 V N 1.999 121.846 119.914 -0.112 0.000 2.439 1053 V HA 0.619 4.549 4.120 -0.316 0.000 0.282 1053 V C -0.199 175.873 176.094 -0.037 0.000 1.039 1053 V CA -0.289 61.974 62.300 -0.063 0.000 0.913 1053 V CB 1.237 33.047 31.823 -0.021 0.000 0.983 1053 V HN 0.712 nan 8.190 nan 0.000 0.460 1054 V N 3.841 123.728 119.914 -0.046 0.000 3.049 1054 V HA 0.385 4.315 4.120 -0.316 0.000 0.309 1054 V C -0.430 175.636 176.094 -0.047 0.000 1.148 1054 V CA -1.134 61.154 62.300 -0.019 0.000 0.990 1054 V CB 2.707 34.547 31.823 0.028 0.000 1.039 1054 V HN 0.963 nan 8.190 nan 0.000 0.430 1055 N N 2.452 121.132 118.700 -0.033 0.000 2.497 1055 N HA 0.251 4.801 4.740 -0.316 0.000 0.271 1055 N C 0.749 176.271 175.510 0.021 0.000 1.142 1055 N CA -0.300 52.734 53.050 -0.026 0.000 0.965 1055 N CB 0.882 39.349 38.487 -0.034 0.000 1.077 1055 N HN 0.767 nan 8.380 nan 0.000 0.462 1056 F N 2.295 122.147 119.950 -0.163 0.000 2.154 1056 F HA -0.324 4.013 4.527 -0.316 0.000 0.301 1056 F C 2.492 178.192 175.800 -0.167 0.000 1.087 1056 F CA 1.210 59.094 58.000 -0.194 0.000 1.274 1056 F CB 0.069 38.954 39.000 -0.192 0.000 1.009 1056 F HN 0.598 nan 8.300 nan 0.000 0.485 1057 S N -0.365 115.239 115.700 -0.160 0.000 2.423 1057 S HA -0.277 4.003 4.470 -0.316 0.000 0.238 1057 S C 1.422 175.893 174.600 -0.214 0.000 1.028 1057 S CA 1.905 59.956 58.200 -0.248 0.000 1.000 1057 S CB -0.628 62.490 63.200 -0.137 0.000 0.797 1057 S HN 0.459 nan 8.310 nan 0.000 0.487 1058 D N 0.834 121.149 120.400 -0.142 0.000 2.323 1058 D HA 0.186 4.636 4.640 -0.316 0.000 0.209 1058 D C 0.092 176.309 176.300 -0.138 0.000 0.973 1058 D CA 0.064 53.994 54.000 -0.118 0.000 0.874 1058 D CB -0.134 40.618 40.800 -0.080 0.000 0.930 1058 D HN 0.281 nan 8.370 nan 0.000 0.521 1059 V N 2.406 122.225 119.914 -0.158 0.000 2.458 1059 V HA -0.073 3.857 4.120 -0.316 0.000 0.287 1059 V C 1.315 177.311 176.094 -0.163 0.000 1.009 1059 V CA 0.453 62.661 62.300 -0.153 0.000 1.091 1059 V CB 1.037 32.768 31.823 -0.153 0.000 0.960 1059 V HN 0.086 nan 8.190 nan 0.000 0.476 1060 Q N 3.367 123.064 119.800 -0.172 0.000 2.408 1060 Q HA 0.290 4.440 4.340 -0.316 0.000 0.205 1060 Q C 0.856 176.838 176.000 -0.030 0.000 0.919 1060 Q CA 0.794 56.490 55.803 -0.178 0.000 0.932 1060 Q CB 1.222 29.692 28.738 -0.446 0.000 1.058 1060 Q HN 0.998 nan 8.270 nan 0.000 0.517 1061 G N -0.167 108.685 108.800 0.087 0.000 2.313 1061 G HA2 0.222 3.992 3.960 -0.316 0.000 0.296 1061 G HA3 0.222 3.992 3.960 -0.316 0.000 0.296 1061 G C -1.654 173.385 174.900 0.231 0.000 1.356 1061 G CA -0.942 44.305 45.100 0.245 0.000 0.833 1061 G HN -0.060 nan 8.290 nan 0.000 0.552 1062 R N -0.697 119.873 120.500 0.116 0.000 2.474 1062 R HA 0.714 4.865 4.340 -0.316 0.000 0.295 1062 R C -0.308 175.835 176.300 -0.261 0.000 0.980 1062 R CA -0.076 56.003 56.100 -0.034 0.000 0.934 1062 R CB 0.926 31.097 30.300 -0.215 0.000 1.101 1062 R HN 1.224 nan 8.270 nan 0.000 0.469 1063 C N 0.224 119.323 119.300 -0.335 0.000 2.898 1063 C HA 0.672 4.943 4.460 -0.316 0.000 0.304 1063 C C -0.278 174.681 174.990 -0.052 0.000 1.237 1063 C CA -0.810 58.018 59.018 -0.316 0.000 1.529 1063 C CB 1.546 28.815 27.740 -0.785 0.000 2.021 1063 C HN 0.723 nan 8.230 nan 0.000 0.474 1064 T N 2.314 116.930 114.554 0.103 0.000 2.767 1064 T HA 0.595 4.755 4.350 -0.316 0.000 0.288 1064 T C -0.301 174.581 174.700 0.303 0.000 0.963 1064 T CA -0.245 61.972 62.100 0.196 0.000 1.019 1064 T CB 1.046 70.048 68.868 0.223 0.000 0.923 1064 T HN 0.770 nan 8.240 nan 0.000 0.468 1065 V N 4.130 124.201 119.914 0.261 0.000 2.443 1065 V HA 0.434 4.364 4.120 -0.316 0.000 0.293 1065 V C -0.292 176.023 176.094 0.369 0.000 1.021 1065 V CA -0.833 61.629 62.300 0.271 0.000 0.848 1065 V CB 1.700 33.490 31.823 -0.055 0.000 0.998 1065 V HN 0.794 nan 8.190 nan 0.000 0.424 1066 E N 2.541 122.944 120.200 0.339 0.000 2.238 1066 E HA 0.321 4.482 4.350 -0.316 0.000 0.267 1066 E C -1.312 175.286 176.600 -0.003 0.000 0.887 1066 E CA -0.784 55.716 56.400 0.166 0.000 0.769 1066 E CB 3.144 32.768 29.700 -0.126 0.000 1.187 1066 E HN 0.704 nan 8.360 nan 0.000 0.416 1067 Y N 1.131 121.240 120.300 -0.319 0.000 2.465 1067 Y HA 0.123 4.483 4.550 -0.316 0.000 0.331 1067 Y C 1.481 177.092 175.900 -0.482 0.000 1.102 1067 Y CA 0.351 57.925 58.100 -0.877 0.000 1.358 1067 Y CB 0.864 38.929 38.460 -0.658 0.000 1.213 1067 Y HN 0.772 nan 8.280 nan 0.000 0.525 1068 G N 4.677 112.902 108.800 -0.957 0.000 2.505 1068 G HA2 -0.292 3.478 3.960 -0.316 0.000 0.220 1068 G HA3 -0.292 3.478 3.960 -0.316 0.000 0.220 1068 G C 1.241 175.732 174.900 -0.682 0.000 1.145 1068 G CA 1.111 45.794 45.100 -0.695 0.000 0.761 1068 G HN 0.718 nan 8.290 nan 0.000 0.571 1069 E N 1.033 120.637 120.200 -0.994 0.000 2.208 1069 E HA -0.061 4.100 4.350 -0.316 0.000 0.193 1069 E C 1.840 178.302 176.600 -0.230 0.000 0.988 1069 E CA 0.799 56.903 56.400 -0.493 0.000 0.828 1069 E CB -0.256 29.244 29.700 -0.333 0.000 0.763 1069 E HN 0.382 nan 8.360 nan 0.000 0.478 1070 D N 0.463 120.764 120.400 -0.165 0.000 2.371 1070 D HA -0.007 4.443 4.640 -0.316 0.000 0.221 1070 D C 0.676 176.914 176.300 -0.104 0.000 0.986 1070 D CA 0.198 54.168 54.000 -0.051 0.000 0.899 1070 D CB 0.106 40.928 40.800 0.036 0.000 0.902 1070 D HN 0.140 nan 8.370 nan 0.000 0.530 1071 L N 1.031 122.138 121.223 -0.194 0.000 2.455 1071 L HA 0.061 4.211 4.340 -0.316 0.000 0.272 1071 L C 1.957 178.761 176.870 -0.110 0.000 1.174 1071 L CA -0.369 54.357 54.840 -0.190 0.000 0.869 1071 L CB 0.987 42.864 42.059 -0.304 0.000 1.130 1071 L HN 0.006 nan 8.230 nan 0.000 0.474 1072 L N 3.245 124.432 121.223 -0.060 0.000 2.478 1072 L HA 0.043 4.193 4.340 -0.316 0.000 0.223 1072 L C 1.110 177.962 176.870 -0.030 0.000 1.140 1072 L CA 1.207 56.028 54.840 -0.032 0.000 0.842 1072 L CB -1.183 40.873 42.059 -0.006 0.000 0.953 1072 L HN 0.873 nan 8.230 nan 0.000 0.452 1073 E N -0.915 119.265 120.200 -0.034 0.000 2.476 1073 E HA 0.590 4.750 4.350 -0.316 0.000 0.246 1073 E C -0.302 176.267 176.600 -0.052 0.000 0.872 1073 E CA -0.040 56.347 56.400 -0.021 0.000 0.867 1073 E CB 0.752 30.467 29.700 0.024 0.000 1.533 1073 E HN 0.277 nan 8.360 nan 0.000 0.399 1074 S N -0.087 115.590 115.700 -0.038 0.000 2.601 1074 S HA 0.176 4.456 4.470 -0.316 0.000 0.271 1074 S C 1.454 176.012 174.600 -0.069 0.000 1.305 1074 S CA -0.828 57.333 58.200 -0.066 0.000 1.022 1074 S CB 0.483 63.653 63.200 -0.050 0.000 0.940 1074 S HN 0.528 nan 8.310 nan 0.000 0.525 1075 I N 1.859 122.336 120.570 -0.156 0.000 2.151 1075 I HA -0.256 3.725 4.170 -0.316 0.000 0.243 1075 I C 3.245 179.322 176.117 -0.066 0.000 1.080 1075 I CA 2.391 63.550 61.300 -0.235 0.000 1.339 1075 I CB -2.355 35.370 38.000 -0.457 0.000 1.039 1075 I HN 0.948 nan 8.210 nan 0.000 0.409 1076 Q N 0.705 120.475 119.800 -0.050 0.000 2.061 1076 Q HA -0.253 3.897 4.340 -0.316 0.000 0.204 1076 Q C 1.946 177.952 176.000 0.010 0.000 0.984 1076 Q CA 2.118 57.917 55.803 -0.006 0.000 0.846 1076 Q CB -1.007 27.718 28.738 -0.021 0.000 0.902 1076 Q HN 0.516 nan 8.270 nan 0.000 0.421 1077 D N -1.197 119.209 120.400 0.010 0.000 2.097 1077 D HA -0.111 4.340 4.640 -0.316 0.000 0.195 1077 D C 1.743 178.067 176.300 0.040 0.000 0.989 1077 D CA 1.563 55.573 54.000 0.016 0.000 0.827 1077 D CB -0.532 40.276 40.800 0.013 0.000 0.966 1077 D HN 0.721 nan 8.370 nan 0.000 0.456 1078 Y N 1.726 121.997 120.300 -0.050 0.000 2.128 1078 Y HA -0.255 4.105 4.550 -0.316 0.000 0.284 1078 Y C 2.403 178.299 175.900 -0.007 0.000 1.154 1078 Y CA 1.990 60.070 58.100 -0.033 0.000 1.149 1078 Y CB -0.243 38.181 38.460 -0.061 0.000 0.976 1078 Y HN -0.157 nan 8.280 nan 0.000 0.505 1079 S N -0.038 115.616 115.700 -0.076 0.000 2.348 1079 S HA -0.292 3.988 4.470 -0.316 0.000 0.221 1079 S C 2.203 176.726 174.600 -0.128 0.000 1.033 1079 S CA 1.819 59.940 58.200 -0.132 0.000 1.010 1079 S CB -0.950 62.292 63.200 0.070 0.000 0.891 1079 S HN 0.741 nan 8.310 nan 0.000 0.442 1080 Q N 0.863 120.633 119.800 -0.050 0.000 2.488 1080 Q HA 0.233 4.384 4.340 -0.316 0.000 0.211 1080 Q C 2.046 178.015 176.000 -0.052 0.000 0.967 1080 Q CA 1.189 56.975 55.803 -0.028 0.000 0.926 1080 Q CB -1.307 27.425 28.738 -0.010 0.000 0.992 1080 Q HN 0.665 nan 8.270 nan 0.000 0.506 1081 G N -0.103 108.638 108.800 -0.099 0.000 2.408 1081 G HA2 0.336 4.106 3.960 -0.316 0.000 0.217 1081 G HA3 0.336 4.106 3.960 -0.316 0.000 0.217 1081 G C 0.889 175.741 174.900 -0.079 0.000 1.150 1081 G CA 0.949 45.997 45.100 -0.086 0.000 0.776 1081 G HN 1.073 nan 8.290 nan 0.000 0.542 1082 G N -1.010 107.720 108.800 -0.116 0.000 2.684 1082 G HA2 0.597 4.367 3.960 -0.316 0.000 0.290 1082 G HA3 0.597 4.367 3.960 -0.316 0.000 0.290 1082 G C -3.212 171.672 174.900 -0.026 0.000 1.425 1082 G CA -0.872 44.193 45.100 -0.058 0.000 0.822 1082 G HN 0.026 nan 8.290 nan 0.000 0.482 1083 P HA 0.281 nan 4.420 nan 0.000 0.277 1083 P C -0.826 176.548 177.300 0.123 0.000 1.240 1083 P CA 0.077 63.237 63.100 0.100 0.000 0.798 1083 P CB 0.885 32.651 31.700 0.111 0.000 0.979 1084 D N -0.679 119.845 120.400 0.206 0.000 2.800 1084 D HA -0.159 4.291 4.640 -0.316 0.000 0.232 1084 D C -0.302 176.157 176.300 0.265 0.000 1.137 1084 D CA 0.922 55.100 54.000 0.298 0.000 0.718 1084 D CB -1.204 39.744 40.800 0.246 0.000 1.084 1084 D HN 0.538 nan 8.370 nan 0.000 0.432 1085 R N -0.037 120.519 120.500 0.094 0.000 2.265 1085 R HA 0.606 4.757 4.340 -0.316 0.000 0.328 1085 R C 0.121 176.462 176.300 0.068 0.000 0.969 1085 R CA -0.259 55.880 56.100 0.065 0.000 0.832 1085 R CB 0.834 30.943 30.300 -0.318 0.000 1.139 1085 R HN -0.076 nan 8.270 nan 0.000 0.457 1086 F N 1.959 122.101 119.950 0.320 0.000 2.613 1086 F HA 0.551 4.888 4.527 -0.316 0.000 0.342 1086 F C -0.115 175.955 175.800 0.450 0.000 1.066 1086 F CA -0.917 57.271 58.000 0.313 0.000 1.002 1086 F CB 1.339 40.396 39.000 0.095 0.000 1.319 1086 F HN 0.415 nan 8.300 nan 0.000 0.495 1087 Y N 0.011 120.534 120.300 0.373 0.000 2.656 1087 Y HA 0.708 5.068 4.550 -0.317 0.000 0.334 1087 Y C -1.862 174.206 175.900 0.281 0.000 1.179 1087 Y CA -2.331 55.900 58.100 0.220 0.000 1.050 1087 Y CB 1.378 39.857 38.460 0.032 0.000 1.308 1087 Y HN 0.555 nan 8.280 nan 0.000 0.456 1088 F N -0.175 119.870 119.950 0.159 0.000 2.643 1088 F HA 0.803 5.140 4.527 -0.317 0.000 0.314 1088 F C -1.383 174.570 175.800 0.255 0.000 1.096 1088 F CA -1.246 56.818 58.000 0.107 0.000 0.953 1088 F CB 1.888 41.061 39.000 0.288 0.000 1.345 1088 F HN 0.527 nan 8.300 nan 0.000 0.468 1089 L N -0.149 121.258 121.223 0.306 0.000 3.327 1089 L HA 0.423 4.573 4.340 -0.316 0.000 0.299 1089 L C -0.635 176.525 176.870 0.483 0.000 1.201 1089 L CA 0.156 55.133 54.840 0.228 0.000 1.059 1089 L CB 0.873 42.999 42.059 0.111 0.000 1.488 1089 L HN 0.701 nan 8.230 nan 0.000 0.609 1090 E N -0.199 120.395 120.200 0.657 0.000 2.429 1090 E HA 0.715 4.875 4.350 -0.316 0.000 0.276 1090 E C -1.039 176.037 176.600 0.793 0.000 0.953 1090 E CA -0.711 56.086 56.400 0.662 0.000 0.787 1090 E CB 2.482 32.557 29.700 0.625 0.000 1.307 1090 E HN 0.034 nan 8.360 nan 0.000 0.458 1091 A N 0.892 124.068 122.820 0.594 0.000 2.269 1091 A HA 0.631 4.761 4.320 -0.316 0.000 0.327 1091 A C -1.686 176.171 177.584 0.455 0.000 1.112 1091 A CA -0.328 52.037 52.037 0.547 0.000 0.865 1091 A CB 0.726 19.984 19.000 0.431 0.000 1.227 1091 A HN 0.584 nan 8.150 nan 0.000 0.498 1092 Y N 1.417 121.778 120.300 0.102 0.000 2.346 1092 Y HA 0.409 4.770 4.550 -0.315 0.000 0.332 1092 Y C -0.479 175.250 175.900 -0.285 0.000 0.985 1092 Y CA -1.242 56.703 58.100 -0.258 0.000 1.112 1092 Y CB 1.398 39.545 38.460 -0.522 0.000 1.170 1092 Y HN 0.664 nan 8.280 nan 0.000 0.447 1093 N N 3.714 121.932 118.700 -0.804 0.000 2.415 1093 N HA 0.008 4.558 4.740 -0.316 0.000 0.246 1093 N C 0.841 175.797 175.510 -0.924 0.000 1.078 1093 N CA 0.601 53.269 53.050 -0.636 0.000 0.942 1093 N CB 1.490 39.745 38.487 -0.387 0.000 1.140 1093 N HN 0.804 nan 8.380 nan 0.000 0.501 1094 S N 3.396 118.721 115.700 -0.626 0.000 2.462 1094 S HA -0.079 4.201 4.470 -0.316 0.000 0.243 1094 S C 1.336 175.772 174.600 -0.275 0.000 1.003 1094 S CA 1.357 59.316 58.200 -0.401 0.000 0.970 1094 S CB 0.159 63.344 63.200 -0.025 0.000 0.762 1094 S HN 0.629 nan 8.310 nan 0.000 0.510 1095 K N -0.307 119.934 120.400 -0.265 0.000 2.214 1095 K HA 0.066 4.196 4.320 -0.316 0.000 0.201 1095 K C 2.007 178.495 176.600 -0.186 0.000 1.049 1095 K CA 1.289 57.475 56.287 -0.169 0.000 0.978 1095 K CB -0.085 32.344 32.500 -0.118 0.000 0.842 1095 K HN 0.506 nan 8.250 nan 0.000 0.474 1096 T N -0.994 113.415 114.554 -0.241 0.000 3.122 1096 T HA 0.140 4.300 4.350 -0.316 0.000 0.250 1096 T C 0.259 174.792 174.700 -0.279 0.000 1.067 1096 T CA -0.314 61.658 62.100 -0.212 0.000 0.966 1096 T CB 0.032 68.798 68.868 -0.170 0.000 1.002 1096 T HN 0.004 nan 8.240 nan 0.000 0.542 1097 K N 1.057 121.215 120.400 -0.403 0.000 2.914 1097 K HA -0.155 3.975 4.320 -0.316 0.000 0.253 1097 K C -0.646 175.730 176.600 -0.372 0.000 0.986 1097 K CA 0.611 56.651 56.287 -0.410 0.000 0.730 1097 K CB -1.893 30.432 32.500 -0.291 0.000 1.228 1097 K HN 0.533 nan 8.250 nan 0.000 0.483 1098 N N 0.043 118.464 118.700 -0.465 0.000 2.430 1098 N HA 0.393 4.944 4.740 -0.316 0.000 0.298 1098 N C -0.343 174.938 175.510 -0.381 0.000 1.130 1098 N CA -0.479 52.389 53.050 -0.303 0.000 0.894 1098 N CB 0.499 38.900 38.487 -0.142 0.000 1.209 1098 N HN -0.093 nan 8.380 nan 0.000 0.503 1099 F N 0.974 120.966 119.950 0.070 0.000 2.303 1099 F HA 0.290 4.627 4.527 -0.316 0.000 0.368 1099 F C 0.948 176.801 175.800 0.089 0.000 1.105 1099 F CA -0.597 57.453 58.000 0.083 0.000 1.153 1099 F CB 0.427 39.464 39.000 0.061 0.000 1.362 1099 F HN 0.244 nan 8.300 nan 0.000 0.511 1100 E N 1.033 121.355 120.200 0.203 0.000 2.351 1100 E HA 0.210 4.370 4.350 -0.316 0.000 0.255 1100 E C -0.604 176.121 176.600 0.209 0.000 1.188 1100 E CA -0.572 55.924 56.400 0.159 0.000 0.940 1100 E CB 0.608 30.360 29.700 0.085 0.000 1.094 1100 E HN 0.421 nan 8.360 nan 0.000 0.474 1101 D N 1.316 121.806 120.400 0.149 0.000 2.382 1101 D HA 0.113 4.563 4.640 -0.316 0.000 0.240 1101 D C -2.313 174.041 176.300 0.090 0.000 1.146 1101 D CA -0.715 53.370 54.000 0.141 0.000 0.897 1101 D CB 0.176 41.025 40.800 0.082 0.000 1.197 1101 D HN 0.112 nan 8.370 nan 0.000 0.432 1102 P HA 0.158 nan 4.420 nan 0.000 0.271 1102 P C -2.414 174.681 177.300 -0.341 0.000 1.216 1102 P CA -0.932 62.091 63.100 -0.129 0.000 0.776 1102 P CB 0.040 31.648 31.700 -0.153 0.000 0.881 1103 P HA -0.039 nan 4.420 nan 0.000 0.270 1103 P C 0.885 177.846 177.300 -0.564 0.000 1.221 1103 P CA 0.109 62.906 63.100 -0.505 0.000 0.788 1103 P CB 0.443 31.638 31.700 -0.843 0.000 0.904 1104 N N 0.644 119.154 118.700 -0.316 0.000 2.188 1104 N HA -0.186 4.364 4.740 -0.316 0.000 0.184 1104 N C 1.452 176.800 175.510 -0.269 0.000 1.018 1104 N CA 1.537 54.446 53.050 -0.235 0.000 0.858 1104 N CB -0.756 37.683 38.487 -0.080 0.000 0.989 1104 N HN 0.583 nan 8.380 nan 0.000 0.426 1105 H N -2.187 116.742 119.070 -0.235 0.000 2.561 1105 H HA 0.331 4.697 4.556 -0.316 0.000 0.278 1105 H C 1.474 176.576 175.328 -0.378 0.000 1.014 1105 H CA 0.916 56.840 56.048 -0.207 0.000 1.211 1105 H CB -0.143 29.555 29.762 -0.106 0.000 1.365 1105 H HN 0.218 nan 8.280 nan 0.000 0.594 1106 A N 0.495 122.718 122.820 -0.995 0.000 2.132 1106 A HA 0.099 4.229 4.320 -0.316 0.000 0.213 1106 A C 1.652 178.943 177.584 -0.487 0.000 1.154 1106 A CA -0.149 51.130 52.037 -1.263 0.000 0.753 1106 A CB -0.206 17.561 19.000 -2.056 0.000 0.826 1106 A HN 0.372 nan 8.150 nan 0.000 0.469 1107 R N -0.212 120.051 120.500 -0.395 0.000 2.668 1107 R HA 0.388 4.538 4.340 -0.316 0.000 0.268 1107 R C 0.418 176.690 176.300 -0.045 0.000 1.232 1107 R CA 0.057 56.023 56.100 -0.224 0.000 1.166 1107 R CB 0.294 30.449 30.300 -0.240 0.000 1.179 1107 R HN 0.322 nan 8.270 nan 0.000 0.606 1108 S N 0.565 116.276 115.700 0.017 0.000 2.596 1108 S HA 0.214 4.495 4.470 -0.316 0.000 0.262 1108 S C -2.231 172.386 174.600 0.029 0.000 1.218 1108 S CA -0.859 57.370 58.200 0.050 0.000 0.998 1108 S CB 0.246 63.481 63.200 0.059 0.000 1.060 1108 S HN 0.589 nan 8.310 nan 0.000 0.552 1109 P HA 0.214 nan 4.420 nan 0.000 0.259 1109 P C 0.444 177.755 177.300 0.019 0.000 1.635 1109 P CA 0.473 63.590 63.100 0.028 0.000 1.199 1109 P CB -0.925 30.795 31.700 0.034 0.000 1.850 1138 K N 4.604 125.009 120.400 0.009 0.000 2.412 1138 K HA 0.812 4.942 4.320 -0.316 0.000 0.281 1138 K C -0.454 176.154 176.600 0.013 0.000 1.027 1138 K CA 0.124 56.416 56.287 0.009 0.000 0.989 1138 K CB 0.434 32.939 32.500 0.009 0.000 0.935 1138 K HN 1.269 nan 8.250 nan 0.000 0.475 1139 L N 3.988 125.218 121.223 0.012 0.000 2.309 1139 L HA 0.451 4.601 4.340 -0.316 0.000 0.282 1139 L C -1.541 175.342 176.870 0.022 0.000 1.036 1139 L CA -2.105 52.745 54.840 0.016 0.000 0.806 1139 L CB 1.684 43.748 42.059 0.008 0.000 1.220 1139 L HN 0.693 nan 8.230 nan 0.000 0.429 1140 P HA 0.077 nan 4.420 nan 0.000 0.266 1140 P C -1.100 176.226 177.300 0.043 0.000 1.195 1140 P CA -0.215 62.911 63.100 0.042 0.000 0.768 1140 P CB 0.639 32.374 31.700 0.057 0.000 0.838 1141 K N 2.001 122.428 120.400 0.045 0.000 2.234 1141 K HA 0.334 4.464 4.320 -0.316 0.000 0.282 1141 K C 0.132 176.779 176.600 0.079 0.000 1.039 1141 K CA -0.670 55.648 56.287 0.051 0.000 0.928 1141 K CB 0.590 33.118 32.500 0.048 0.000 1.039 1141 K HN 0.411 nan 8.250 nan 0.000 0.470 1142 L N 4.107 125.383 121.223 0.087 0.000 2.462 1142 L HA 0.136 4.286 4.340 -0.316 0.000 0.272 1142 L C 0.604 177.569 176.870 0.158 0.000 1.166 1142 L CA -0.076 54.846 54.840 0.137 0.000 0.880 1142 L CB 0.092 42.237 42.059 0.143 0.000 1.142 1142 L HN 0.394 nan 8.230 nan 0.000 0.473 1143 R N 2.348 122.964 120.500 0.194 0.000 2.370 1143 R HA 0.243 4.393 4.340 -0.316 0.000 0.309 1143 R C -0.516 175.984 176.300 0.333 0.000 1.059 1143 R CA -0.015 56.222 56.100 0.228 0.000 0.981 1143 R CB 0.423 30.915 30.300 0.319 0.000 0.972 1143 R HN 0.543 nan 8.270 nan 0.000 0.437 1144 T N 3.908 118.640 114.554 0.298 0.000 2.824 1144 T HA 0.280 4.440 4.350 -0.316 0.000 0.282 1144 T C -0.945 174.009 174.700 0.424 0.000 0.993 1144 T CA -0.696 61.603 62.100 0.332 0.000 0.967 1144 T CB 1.427 70.457 68.868 0.271 0.000 0.960 1144 T HN 0.223 nan 8.240 nan 0.000 0.441 1145 L N 3.208 124.657 121.223 0.377 0.000 2.272 1145 L HA 0.605 4.756 4.340 -0.316 0.000 0.289 1145 L C -0.747 176.224 176.870 0.167 0.000 1.032 1145 L CA -0.384 54.635 54.840 0.298 0.000 0.810 1145 L CB 1.022 43.127 42.059 0.077 0.000 1.205 1145 L HN 0.472 nan 8.230 nan 0.000 0.422 1146 D N 4.531 124.997 120.400 0.111 0.000 2.454 1146 D HA 0.296 4.746 4.640 -0.316 0.000 0.225 1146 D C -0.796 175.458 176.300 -0.076 0.000 1.081 1146 D CA -0.158 53.870 54.000 0.047 0.000 0.864 1146 D CB 1.123 41.963 40.800 0.067 0.000 1.040 1146 D HN 0.332 nan 8.370 nan 0.000 0.517 1147 V N 4.310 124.156 119.914 -0.113 0.000 2.686 1147 V HA 0.269 4.199 4.120 -0.316 0.000 0.295 1147 V C 0.497 176.361 176.094 -0.383 0.000 1.057 1147 V CA -0.592 61.451 62.300 -0.427 0.000 1.012 1147 V CB 0.275 31.741 31.823 -0.594 0.000 1.006 1147 V HN 0.604 nan 8.190 nan 0.000 0.477 1148 F N 2.057 121.935 119.950 -0.120 0.000 3.027 1148 F HA -0.249 4.088 4.527 -0.317 0.000 0.276 1148 F C 1.901 177.683 175.800 -0.030 0.000 0.967 1148 F CA 0.750 58.704 58.000 -0.076 0.000 0.929 1148 F CB -2.332 36.587 39.000 -0.136 0.000 0.873 1148 F HN 0.699 nan 8.300 nan 0.000 0.787 1149 S N -0.132 115.603 115.700 0.059 0.000 2.419 1149 S HA 0.162 4.442 4.470 -0.316 0.000 0.235 1149 S C 1.944 176.719 174.600 0.292 0.000 1.019 1149 S CA 1.219 59.485 58.200 0.110 0.000 0.982 1149 S CB -0.544 62.544 63.200 -0.186 0.000 0.789 1149 S HN 2.101 nan 8.310 nan 0.000 0.490 1150 G N 0.703 109.671 108.800 0.281 0.000 2.574 1150 G HA2 -0.414 3.356 3.960 -0.316 0.000 0.282 1150 G HA3 -0.414 3.356 3.960 -0.316 0.000 0.282 1150 G C 0.956 176.105 174.900 0.415 0.000 1.257 1150 G CA 0.943 46.244 45.100 0.335 0.000 0.956 1150 G HN 1.588 nan 8.290 nan 0.000 0.560 1151 C N -0.476 119.056 119.300 0.386 0.000 2.522 1151 C HA 0.580 4.850 4.460 -0.316 0.000 0.271 1151 C C 2.130 177.309 174.990 0.315 0.000 1.425 1151 C CA 0.771 60.008 59.018 0.364 0.000 1.751 1151 C CB -0.892 27.088 27.740 0.401 0.000 1.775 1151 C HN 2.822 nan 8.230 nan 0.000 0.557 1152 G N -0.276 108.727 108.800 0.338 0.000 2.143 1152 G HA2 0.001 3.772 3.960 -0.316 0.000 0.175 1152 G HA3 0.001 3.772 3.960 -0.316 0.000 0.175 1152 G C 0.952 175.901 174.900 0.082 0.000 1.004 1152 G CA 0.156 45.324 45.100 0.114 0.000 0.671 1152 G HN 0.935 nan 8.290 nan 0.000 0.512 1153 G N 0.400 109.292 108.800 0.154 0.000 2.469 1153 G HA2 -0.026 3.744 3.960 -0.316 0.000 0.219 1153 G HA3 -0.026 3.744 3.960 -0.316 0.000 0.219 1153 G C 1.726 176.487 174.900 -0.231 0.000 1.150 1153 G CA 1.749 46.815 45.100 -0.056 0.000 0.763 1153 G HN 0.954 nan 8.290 nan 0.000 0.561 1154 L N 0.872 121.975 121.223 -0.200 0.000 2.056 1154 L HA 0.126 4.276 4.340 -0.316 0.000 0.207 1154 L C 2.845 179.390 176.870 -0.541 0.000 1.078 1154 L CA 2.181 56.771 54.840 -0.417 0.000 0.749 1154 L CB -0.739 41.096 42.059 -0.373 0.000 0.901 1154 L HN 0.159 nan 8.230 nan 0.000 0.433 1155 S N -0.700 114.827 115.700 -0.288 0.000 2.402 1155 S HA -0.172 4.108 4.470 -0.316 0.000 0.229 1155 S C 1.784 176.097 174.600 -0.478 0.000 1.021 1155 S CA 1.169 59.171 58.200 -0.330 0.000 0.974 1155 S CB -0.134 63.055 63.200 -0.019 0.000 0.800 1155 S HN 0.571 nan 8.310 nan 0.000 0.484 1156 E N 1.528 121.586 120.200 -0.237 0.000 2.047 1156 E HA -0.028 4.133 4.350 -0.316 0.000 0.191 1156 E C 2.095 178.640 176.600 -0.091 0.000 0.987 1156 E CA 1.495 57.846 56.400 -0.083 0.000 0.799 1156 E CB -0.959 28.681 29.700 -0.100 0.000 0.752 1156 E HN 0.354 nan 8.360 nan 0.000 0.449 1157 G N -0.128 108.565 108.800 -0.178 0.000 2.446 1157 G HA2 -0.246 3.525 3.960 -0.316 0.000 0.217 1157 G HA3 -0.246 3.525 3.960 -0.316 0.000 0.217 1157 G C 1.320 176.289 174.900 0.116 0.000 1.168 1157 G CA 0.933 45.982 45.100 -0.085 0.000 0.771 1157 G HN 0.250 nan 8.290 nan 0.000 0.551 1158 F N 1.214 121.073 119.950 -0.153 0.000 2.102 1158 F HA -0.013 4.327 4.527 -0.312 0.000 0.298 1158 F C 2.709 178.475 175.800 -0.057 0.000 1.105 1158 F CA 0.749 58.671 58.000 -0.130 0.000 1.239 1158 F CB -1.226 37.675 39.000 -0.165 0.000 0.991 1158 F HN 0.198 nan 8.300 nan 0.000 0.474 1159 H N 0.272 119.447 119.070 0.176 0.000 2.319 1159 H HA -0.174 4.193 4.556 -0.316 0.000 0.297 1159 H C 2.193 177.547 175.328 0.044 0.000 1.097 1159 H CA 1.665 57.762 56.048 0.082 0.000 1.285 1159 H CB -0.825 28.967 29.762 0.049 0.000 1.368 1159 H HN 0.384 nan 8.280 nan 0.000 0.495 1160 Q N -0.118 119.779 119.800 0.161 0.000 2.135 1160 Q HA -0.091 4.059 4.340 -0.316 0.000 0.204 1160 Q C 2.384 178.417 176.000 0.055 0.000 0.981 1160 Q CA 1.266 57.114 55.803 0.076 0.000 0.856 1160 Q CB -0.115 28.642 28.738 0.032 0.000 0.902 1160 Q HN 0.443 nan 8.270 nan 0.000 0.425 1161 A N 0.018 122.874 122.820 0.061 0.000 2.172 1161 A HA 0.117 4.248 4.320 -0.316 0.000 0.216 1161 A C 1.648 179.234 177.584 0.002 0.000 1.154 1161 A CA 1.027 53.075 52.037 0.018 0.000 0.701 1161 A CB -0.543 18.448 19.000 -0.014 0.000 0.789 1161 A HN 0.523 nan 8.150 nan 0.000 0.465 1162 G N -0.484 108.337 108.800 0.034 0.000 2.148 1162 G HA2 -0.332 3.438 3.960 -0.316 0.000 0.254 1162 G HA3 -0.332 3.438 3.960 -0.316 0.000 0.254 1162 G C 0.767 175.670 174.900 0.005 0.000 0.981 1162 G CA 0.736 45.851 45.100 0.026 0.000 0.670 1162 G HN 1.306 nan 8.290 nan 0.000 0.528 1163 I N -1.602 118.952 120.570 -0.026 0.000 3.645 1163 I HA 0.486 4.466 4.170 -0.316 0.000 0.300 1163 I C 0.902 176.999 176.117 -0.033 0.000 1.260 1163 I CA 0.594 61.845 61.300 -0.080 0.000 1.365 1163 I CB 0.381 38.247 38.000 -0.223 0.000 1.077 1163 I HN 0.406 nan 8.210 nan 0.000 0.439 1164 S N 0.155 115.885 115.700 0.049 0.000 2.618 1164 S HA 0.578 4.858 4.470 -0.316 0.000 0.277 1164 S C -0.810 173.930 174.600 0.233 0.000 1.138 1164 S CA -0.687 57.585 58.200 0.120 0.000 0.844 1164 S CB 2.381 65.655 63.200 0.124 0.000 1.127 1164 S HN 0.311 nan 8.310 nan 0.000 0.474 1165 E N 0.648 120.973 120.200 0.208 0.000 2.373 1165 E HA 0.336 4.496 4.350 -0.316 0.000 0.251 1165 E C -1.287 175.433 176.600 0.199 0.000 0.923 1165 E CA -0.418 56.107 56.400 0.210 0.000 0.798 1165 E CB 1.325 31.055 29.700 0.050 0.000 1.303 1165 E HN 0.671 nan 8.360 nan 0.000 0.412 1166 T N 5.404 120.187 114.554 0.381 0.000 2.751 1166 T HA 0.123 4.283 4.350 -0.316 0.000 0.290 1166 T C 1.190 175.903 174.700 0.021 0.000 0.919 1166 T CA 0.203 62.443 62.100 0.234 0.000 1.136 1166 T CB 0.281 69.359 68.868 0.350 0.000 0.875 1166 T HN 0.523 nan 8.240 nan 0.000 0.532 1167 L N 2.269 123.317 121.223 -0.292 0.000 2.463 1167 L HA 0.291 4.441 4.340 -0.316 0.000 0.219 1167 L C 0.295 176.639 176.870 -0.877 0.000 1.088 1167 L CA 0.276 54.609 54.840 -0.845 0.000 0.849 1167 L CB 0.307 41.327 42.059 -1.731 0.000 1.012 1167 L HN 0.548 nan 8.230 nan 0.000 0.468 1168 W N 0.296 121.651 121.300 0.091 0.000 2.998 1168 W HA 0.676 5.146 4.660 -0.318 0.000 0.335 1168 W C -0.615 175.897 176.519 -0.012 0.000 1.110 1168 W CA -0.948 56.463 57.345 0.110 0.000 1.230 1168 W CB 1.558 31.138 29.460 0.201 0.000 1.405 1168 W HN -0.290 nan 8.180 nan 0.000 0.493 1169 A N 3.597 126.480 122.820 0.105 0.000 2.475 1169 A HA 0.924 5.054 4.320 -0.316 0.000 0.301 1169 A C -1.413 176.160 177.584 -0.020 0.000 1.059 1169 A CA -0.750 51.163 52.037 -0.206 0.000 0.710 1169 A CB 1.638 20.054 19.000 -0.973 0.000 1.288 1169 A HN 0.546 nan 8.150 nan 0.000 0.408 1170 I N 1.258 121.764 120.570 -0.107 0.000 2.447 1170 I HA 0.551 4.531 4.170 -0.316 0.000 0.287 1170 I C -0.784 175.278 176.117 -0.091 0.000 1.023 1170 I CA -0.417 60.846 61.300 -0.060 0.000 1.083 1170 I CB 2.124 40.021 38.000 -0.172 0.000 1.245 1170 I HN 0.706 nan 8.210 nan 0.000 0.434 1171 E N 5.927 126.127 120.200 -0.000 0.000 2.317 1171 E HA 0.266 4.426 4.350 -0.316 0.000 0.270 1171 E C -0.179 176.496 176.600 0.126 0.000 0.899 1171 E CA -0.479 55.968 56.400 0.079 0.000 0.814 1171 E CB 1.785 31.535 29.700 0.083 0.000 1.296 1171 E HN 0.678 nan 8.360 nan 0.000 0.404 1172 M N 3.251 122.958 119.600 0.178 0.000 2.296 1172 M HA 0.126 4.416 4.480 -0.316 0.000 0.265 1172 M C -0.117 176.336 176.300 0.255 0.000 1.064 1172 M CA 0.884 56.296 55.300 0.187 0.000 1.109 1172 M CB 0.206 32.918 32.600 0.187 0.000 1.396 1172 M HN 0.529 nan 8.290 nan 0.000 0.430 1173 W N 1.567 122.912 121.300 0.075 0.000 2.332 1173 W HA 0.209 4.674 4.660 -0.325 0.000 0.306 1173 W C 0.695 177.257 176.519 0.073 0.000 1.149 1173 W CA -0.789 56.602 57.345 0.077 0.000 1.271 1173 W CB 0.554 30.066 29.460 0.087 0.000 1.243 1173 W HN 0.209 nan 8.180 nan 0.000 0.459 1174 D N 5.781 126.092 120.400 -0.149 0.000 2.106 1174 D HA -0.219 4.231 4.640 -0.316 0.000 0.191 1174 D C -0.575 175.472 176.300 -0.423 0.000 0.997 1174 D CA 2.406 56.269 54.000 -0.227 0.000 0.834 1174 D CB -0.246 40.481 40.800 -0.122 0.000 0.956 1174 D HN 0.233 nan 8.370 nan 0.000 0.448 1175 P HA -0.145 nan 4.420 nan 0.000 0.215 1175 P C 1.150 178.164 177.300 -0.477 0.000 1.157 1175 P CA 2.200 64.980 63.100 -0.533 0.000 0.874 1175 P CB -0.220 30.937 31.700 -0.905 0.000 0.790 1176 A N -0.076 122.353 122.820 -0.651 0.000 1.877 1176 A HA -0.147 3.984 4.320 -0.316 0.000 0.216 1176 A C 2.357 179.941 177.584 0.000 0.000 1.186 1176 A CA 2.323 54.299 52.037 -0.102 0.000 0.620 1176 A CB -1.675 17.483 19.000 0.264 0.000 0.822 1176 A HN 0.192 nan 8.150 nan 0.000 0.443 1177 A N -0.794 121.990 122.820 -0.061 0.000 1.883 1177 A HA -0.247 3.883 4.320 -0.316 0.000 0.217 1177 A C 2.145 179.664 177.584 -0.109 0.000 1.186 1177 A CA 1.772 53.783 52.037 -0.044 0.000 0.624 1177 A CB -0.627 18.328 19.000 -0.076 0.000 0.822 1177 A HN 0.589 nan 8.150 nan 0.000 0.444 1178 Q N -0.663 118.950 119.800 -0.311 0.000 2.061 1178 Q HA -0.212 3.938 4.340 -0.316 0.000 0.204 1178 Q C 2.492 178.268 176.000 -0.373 0.000 0.984 1178 Q CA 1.664 57.143 55.803 -0.540 0.000 0.846 1178 Q CB -0.681 27.271 28.738 -1.310 0.000 0.902 1178 Q HN 0.680 nan 8.270 nan 0.000 0.421 1179 A N 0.600 123.291 122.820 -0.215 0.000 1.917 1179 A HA -0.216 3.915 4.320 -0.316 0.000 0.219 1179 A C 1.946 179.478 177.584 -0.088 0.000 1.182 1179 A CA 1.442 53.437 52.037 -0.071 0.000 0.633 1179 A CB -0.944 18.102 19.000 0.076 0.000 0.819 1179 A HN 0.380 nan 8.150 nan 0.000 0.448 1180 F N 0.214 120.100 119.950 -0.108 0.000 2.113 1180 F HA -0.158 4.177 4.527 -0.319 0.000 0.297 1180 F C 2.573 178.303 175.800 -0.117 0.000 1.103 1180 F CA 1.781 59.743 58.000 -0.062 0.000 1.248 1180 F CB -0.099 38.894 39.000 -0.011 0.000 0.999 1180 F HN 0.113 nan 8.300 nan 0.000 0.475 1181 R N 0.238 120.808 120.500 0.117 0.000 2.091 1181 R HA -0.196 3.954 4.340 -0.316 0.000 0.238 1181 R C 2.212 178.448 176.300 -0.107 0.000 1.136 1181 R CA 1.785 57.882 56.100 -0.004 0.000 0.959 1181 R CB -0.836 29.407 30.300 -0.094 0.000 0.856 1181 R HN 0.378 nan 8.270 nan 0.000 0.437 1182 L N 0.856 121.976 121.223 -0.173 0.000 2.079 1182 L HA -0.215 3.935 4.340 -0.316 0.000 0.210 1182 L C 1.792 178.497 176.870 -0.275 0.000 1.081 1182 L CA 1.228 55.943 54.840 -0.209 0.000 0.752 1182 L CB -0.400 41.528 42.059 -0.218 0.000 0.896 1182 L HN 0.300 nan 8.230 nan 0.000 0.433 1183 N N -0.160 118.317 118.700 -0.371 0.000 2.392 1183 N HA -0.013 4.537 4.740 -0.316 0.000 0.177 1183 N C -0.060 175.283 175.510 -0.277 0.000 1.066 1183 N CA 0.408 53.184 53.050 -0.457 0.000 0.895 1183 N CB 0.202 38.208 38.487 -0.801 0.000 0.988 1183 N HN 0.375 nan 8.380 nan 0.000 0.457 1184 N N 0.974 119.561 118.700 -0.189 0.000 2.790 1184 N HA 0.176 4.727 4.740 -0.316 0.000 0.256 1184 N C -2.060 173.430 175.510 -0.035 0.000 1.409 1184 N CA -1.085 51.923 53.050 -0.070 0.000 0.799 1184 N CB 1.875 40.411 38.487 0.082 0.000 1.170 1184 N HN 0.007 nan 8.380 nan 0.000 0.507 1185 P HA -0.124 nan 4.420 nan 0.000 0.219 1185 P C 1.235 178.493 177.300 -0.069 0.000 1.146 1185 P CA 1.097 64.151 63.100 -0.075 0.000 0.808 1185 P CB 0.309 31.958 31.700 -0.084 0.000 0.779 1186 G N -0.844 107.913 108.800 -0.072 0.000 2.777 1186 G HA2 -0.031 3.740 3.960 -0.316 0.000 0.211 1186 G HA3 -0.031 3.740 3.960 -0.316 0.000 0.211 1186 G C 0.605 175.443 174.900 -0.103 0.000 1.149 1186 G CA 0.481 45.529 45.100 -0.088 0.000 0.785 1186 G HN 0.440 nan 8.290 nan 0.000 0.536 1187 T N -0.340 114.181 114.554 -0.055 0.000 2.875 1187 T HA 0.465 4.625 4.350 -0.316 0.000 0.284 1187 T C -0.120 174.499 174.700 -0.135 0.000 0.995 1187 T CA -0.401 61.643 62.100 -0.095 0.000 1.060 1187 T CB 1.429 70.323 68.868 0.043 0.000 0.967 1187 T HN -0.124 nan 8.240 nan 0.000 0.476 1188 T N 4.496 118.921 114.554 -0.215 0.000 2.738 1188 T HA 0.365 4.526 4.350 -0.316 0.000 0.293 1188 T C -0.040 174.416 174.700 -0.407 0.000 0.913 1188 T CA -0.415 61.508 62.100 -0.296 0.000 1.103 1188 T CB 0.116 68.832 68.868 -0.253 0.000 0.880 1188 T HN 0.574 nan 8.240 nan 0.000 0.526 1189 V N 5.546 125.224 119.914 -0.394 0.000 2.350 1189 V HA 0.371 4.302 4.120 -0.316 0.000 0.276 1189 V C -0.334 175.551 176.094 -0.349 0.000 1.028 1189 V CA -0.820 61.291 62.300 -0.316 0.000 0.860 1189 V CB 0.208 31.909 31.823 -0.203 0.000 0.990 1189 V HN 0.763 nan 8.190 nan 0.000 0.453 1190 F N 2.689 122.609 119.950 -0.050 0.000 2.350 1190 F HA 0.320 4.656 4.527 -0.318 0.000 0.365 1190 F C 1.066 176.843 175.800 -0.038 0.000 1.122 1190 F CA -0.476 57.510 58.000 -0.023 0.000 1.139 1190 F CB 1.250 40.252 39.000 0.003 0.000 1.220 1190 F HN 0.448 nan 8.300 nan 0.000 0.499 1191 T N 2.215 116.825 114.554 0.094 0.000 2.855 1191 T HA 0.438 4.598 4.350 -0.316 0.000 0.290 1191 T C -0.544 174.214 174.700 0.096 0.000 0.941 1191 T CA 0.006 62.145 62.100 0.065 0.000 1.030 1191 T CB -0.168 68.704 68.868 0.007 0.000 0.935 1191 T HN 0.700 nan 8.240 nan 0.000 0.564 1192 E N 3.197 123.460 120.200 0.106 0.000 2.396 1192 E HA 0.293 4.454 4.350 -0.316 0.000 0.280 1192 E C -1.864 174.785 176.600 0.081 0.000 1.065 1192 E CA -0.718 55.740 56.400 0.096 0.000 0.831 1192 E CB 1.337 31.101 29.700 0.107 0.000 1.272 1192 E HN 0.502 nan 8.360 nan 0.000 0.443 1193 D N 1.650 122.098 120.400 0.080 0.000 2.383 1193 D HA 0.015 4.465 4.640 -0.316 0.000 0.252 1193 D C 1.381 177.720 176.300 0.065 0.000 1.166 1193 D CA 0.156 54.207 54.000 0.084 0.000 0.879 1193 D CB 0.637 41.489 40.800 0.086 0.000 1.164 1193 D HN 0.639 nan 8.370 nan 0.000 0.462 1194 C N 3.571 122.899 119.300 0.047 0.000 2.411 1194 C HA -0.102 4.169 4.460 -0.316 0.000 0.279 1194 C C 1.991 177.088 174.990 0.178 0.000 1.288 1194 C CA 0.109 59.158 59.018 0.052 0.000 1.764 1194 C CB -0.891 26.761 27.740 -0.146 0.000 1.974 1194 C HN 0.627 nan 8.230 nan 0.000 0.498 1195 N N 1.678 120.462 118.700 0.139 0.000 2.120 1195 N HA -0.124 4.426 4.740 -0.316 0.000 0.188 1195 N C 2.054 177.586 175.510 0.035 0.000 1.024 1195 N CA 1.933 55.041 53.050 0.098 0.000 0.852 1195 N CB -0.438 38.099 38.487 0.083 0.000 1.003 1195 N HN 0.694 nan 8.380 nan 0.000 0.424 1196 V N 0.436 120.370 119.914 0.033 0.000 2.591 1196 V HA -0.043 3.887 4.120 -0.316 0.000 0.249 1196 V C 2.190 178.271 176.094 -0.022 0.000 1.053 1196 V CA 0.854 63.156 62.300 0.003 0.000 1.068 1196 V CB -0.429 31.404 31.823 0.016 0.000 0.689 1196 V HN 0.036 nan 8.190 nan 0.000 0.462 1197 L N -0.351 120.866 121.223 -0.010 0.000 2.017 1197 L HA -0.072 4.079 4.340 -0.316 0.000 0.208 1197 L C 2.346 179.149 176.870 -0.111 0.000 1.073 1197 L CA 2.428 57.229 54.840 -0.064 0.000 0.745 1197 L CB -0.673 41.338 42.059 -0.081 0.000 0.894 1197 L HN 0.440 nan 8.230 nan 0.000 0.432 1198 L N -0.589 120.570 121.223 -0.107 0.000 2.046 1198 L HA -0.231 3.920 4.340 -0.316 0.000 0.208 1198 L C 2.454 179.159 176.870 -0.274 0.000 1.077 1198 L CA 1.779 56.437 54.840 -0.303 0.000 0.747 1198 L CB -0.593 41.212 42.059 -0.425 0.000 0.896 1198 L HN 0.208 nan 8.230 nan 0.000 0.432 1199 K N -0.876 119.421 120.400 -0.173 0.000 2.103 1199 K HA -0.170 3.960 4.320 -0.316 0.000 0.207 1199 K C 2.079 178.591 176.600 -0.146 0.000 1.048 1199 K CA 1.512 57.708 56.287 -0.150 0.000 0.930 1199 K CB -0.326 32.120 32.500 -0.091 0.000 0.716 1199 K HN 0.331 nan 8.250 nan 0.000 0.444 1200 L N 0.681 121.830 121.223 -0.123 0.000 2.042 1200 L HA -0.198 3.953 4.340 -0.316 0.000 0.210 1200 L C 2.559 179.348 176.870 -0.135 0.000 1.076 1200 L CA 1.123 55.901 54.840 -0.103 0.000 0.749 1200 L CB -0.684 41.330 42.059 -0.074 0.000 0.893 1200 L HN 0.147 nan 8.230 nan 0.000 0.432 1201 V N -1.602 118.195 119.914 -0.194 0.000 2.358 1201 V HA -0.268 3.663 4.120 -0.316 0.000 0.246 1201 V C 2.478 178.401 176.094 -0.285 0.000 1.047 1201 V CA 1.383 63.545 62.300 -0.231 0.000 1.035 1201 V CB -0.293 31.361 31.823 -0.282 0.000 0.658 1201 V HN 0.301 nan 8.190 nan 0.000 0.452 1202 M N 1.324 120.713 119.600 -0.351 0.000 2.260 1202 M HA 0.031 4.322 4.480 -0.316 0.000 0.261 1202 M C 2.120 178.310 176.300 -0.183 0.000 1.066 1202 M CA 1.674 56.788 55.300 -0.310 0.000 1.082 1202 M CB -1.726 30.698 32.600 -0.294 0.000 1.388 1202 M HN 0.593 nan 8.290 nan 0.000 0.419 1203 A N -1.489 121.244 122.820 -0.145 0.000 2.238 1203 A HA 0.460 4.591 4.320 -0.316 0.000 0.208 1203 A C 1.771 179.309 177.584 -0.075 0.000 1.177 1203 A CA 0.833 52.813 52.037 -0.095 0.000 0.804 1203 A CB -0.895 18.060 19.000 -0.075 0.000 0.823 1203 A HN 0.651 nan 8.150 nan 0.000 0.482 1204 G N -0.750 107.999 108.800 -0.086 0.000 2.179 1204 G HA2 -0.229 3.541 3.960 -0.316 0.000 0.260 1204 G HA3 -0.229 3.541 3.960 -0.316 0.000 0.260 1204 G C -0.055 174.822 174.900 -0.039 0.000 0.977 1204 G CA 0.251 45.316 45.100 -0.058 0.000 0.641 1204 G HN 0.497 nan 8.290 nan 0.000 0.533 1205 E N 0.263 120.438 120.200 -0.043 0.000 2.415 1205 E HA 0.277 4.437 4.350 -0.316 0.000 0.263 1205 E C 1.577 178.173 176.600 -0.005 0.000 0.995 1205 E CA 0.264 56.653 56.400 -0.019 0.000 0.915 1205 E CB 1.446 31.135 29.700 -0.019 0.000 0.951 1205 E HN 0.178 nan 8.360 nan 0.000 0.449 1206 V N 2.620 122.543 119.914 0.016 0.000 2.951 1206 V HA -0.037 3.893 4.120 -0.316 0.000 0.255 1206 V C 0.884 177.017 176.094 0.064 0.000 1.088 1206 V CA 1.180 63.502 62.300 0.037 0.000 1.109 1206 V CB 0.068 31.916 31.823 0.041 0.000 0.724 1206 V HN 0.506 nan 8.190 nan 0.000 0.471 1207 T N 0.534 115.125 114.554 0.061 0.000 2.916 1207 T HA 0.386 4.546 4.350 -0.316 0.000 0.305 1207 T C -0.460 174.291 174.700 0.085 0.000 1.119 1207 T CA -0.705 61.450 62.100 0.092 0.000 1.008 1207 T CB 2.102 71.015 68.868 0.075 0.000 1.129 1207 T HN 0.423 nan 8.240 nan 0.000 0.480 1208 N N 0.305 119.084 118.700 0.131 0.000 2.366 1208 N HA 0.127 4.677 4.740 -0.316 0.000 0.277 1208 N C 1.467 177.024 175.510 0.079 0.000 1.275 1208 N CA -0.055 53.061 53.050 0.110 0.000 0.964 1208 N CB -0.067 38.528 38.487 0.179 0.000 1.167 1208 N HN 0.528 nan 8.380 nan 0.000 0.568 1209 S N -1.526 114.212 115.700 0.063 0.000 2.500 1209 S HA -0.074 4.206 4.470 -0.316 0.000 0.239 1209 S C 1.149 175.774 174.600 0.041 0.000 0.989 1209 S CA 0.382 58.609 58.200 0.044 0.000 0.951 1209 S CB -0.312 62.910 63.200 0.036 0.000 0.759 1209 S HN 0.427 nan 8.310 nan 0.000 0.523 1210 L N 1.167 122.421 121.223 0.052 0.000 2.700 1210 L HA 0.466 4.617 4.340 -0.316 0.000 0.234 1210 L C 1.787 178.675 176.870 0.030 0.000 1.156 1210 L CA 0.458 55.318 54.840 0.033 0.000 0.946 1210 L CB -0.633 41.441 42.059 0.025 0.000 1.216 1210 L HN 0.522 nan 8.230 nan 0.000 0.493 1211 G N -0.827 108.000 108.800 0.045 0.000 2.179 1211 G HA2 -0.324 3.446 3.960 -0.316 0.000 0.260 1211 G HA3 -0.324 3.446 3.960 -0.316 0.000 0.260 1211 G C 0.585 175.520 174.900 0.059 0.000 0.977 1211 G CA -0.028 45.098 45.100 0.044 0.000 0.641 1211 G HN 0.424 nan 8.290 nan 0.000 0.533 1212 Q N 0.346 120.191 119.800 0.074 0.000 2.286 1212 Q HA 0.293 4.443 4.340 -0.316 0.000 0.267 1212 Q C 0.742 176.882 176.000 0.234 0.000 1.028 1212 Q CA -0.323 55.532 55.803 0.086 0.000 0.901 1212 Q CB 0.667 29.398 28.738 -0.013 0.000 1.183 1212 Q HN 0.361 nan 8.270 nan 0.000 0.392 1213 R N 3.435 124.069 120.500 0.224 0.000 2.343 1213 R HA 0.046 4.196 4.340 -0.316 0.000 0.326 1213 R C -0.733 175.812 176.300 0.409 0.000 1.055 1213 R CA -0.563 55.697 56.100 0.266 0.000 0.961 1213 R CB 0.208 30.640 30.300 0.221 0.000 0.978 1213 R HN 0.405 nan 8.270 nan 0.000 0.443 1214 L N 7.521 128.905 121.223 0.268 0.000 2.525 1214 L HA 0.114 4.264 4.340 -0.316 0.000 0.278 1214 L C -1.704 175.162 176.870 -0.006 0.000 1.218 1214 L CA -1.646 53.241 54.840 0.079 0.000 0.878 1214 L CB -0.013 42.022 42.059 -0.039 0.000 1.127 1214 L HN 0.557 nan 8.230 nan 0.000 0.492 1215 P HA 0.124 nan 4.420 nan 0.000 0.275 1215 P C -0.884 176.391 177.300 -0.042 0.000 1.227 1215 P CA -0.415 62.361 63.100 -0.539 0.000 0.781 1215 P CB 1.097 32.050 31.700 -1.244 0.000 0.906 1216 Q N 1.038 120.857 119.800 0.031 0.000 2.495 1216 Q HA 0.338 4.489 4.340 -0.316 0.000 0.283 1216 Q C -0.029 176.083 176.000 0.186 0.000 1.097 1216 Q CA -1.207 54.701 55.803 0.175 0.000 0.836 1216 Q CB 1.444 30.223 28.738 0.068 0.000 1.426 1216 Q HN 0.376 nan 8.270 nan 0.000 0.459 1217 K N 0.237 120.632 120.400 -0.008 0.000 2.543 1217 K HA -0.012 4.119 4.320 -0.316 0.000 0.279 1217 K C 0.878 177.476 176.600 -0.003 0.000 1.001 1217 K CA 1.558 57.769 56.287 -0.127 0.000 1.088 1217 K CB -0.139 32.174 32.500 -0.312 0.000 0.863 1217 K HN 0.924 nan 8.250 nan 0.000 0.488 1218 G N 3.164 111.985 108.800 0.034 0.000 2.383 1218 G HA2 -0.304 3.466 3.960 -0.316 0.000 0.229 1218 G HA3 -0.304 3.466 3.960 -0.316 0.000 0.229 1218 G C 0.786 175.752 174.900 0.110 0.000 1.089 1218 G CA 0.343 45.481 45.100 0.065 0.000 0.640 1218 G HN 0.709 nan 8.290 nan 0.000 0.510 1219 D N 0.652 121.108 120.400 0.092 0.000 2.104 1219 D HA 0.007 4.458 4.640 -0.316 0.000 0.194 1219 D C 1.577 177.979 176.300 0.170 0.000 0.994 1219 D CA 1.509 55.580 54.000 0.119 0.000 0.830 1219 D CB -0.277 40.426 40.800 -0.162 0.000 0.959 1219 D HN 0.431 nan 8.370 nan 0.000 0.452 1220 V N 1.836 121.770 119.914 0.033 0.000 2.408 1220 V HA 0.069 4.000 4.120 -0.316 0.000 0.267 1220 V C 1.092 177.305 176.094 0.198 0.000 1.047 1220 V CA 0.101 62.458 62.300 0.094 0.000 0.937 1220 V CB 1.297 33.030 31.823 -0.149 0.000 0.999 1220 V HN 0.028 nan 8.190 nan 0.000 0.472 1221 E N 3.608 123.964 120.200 0.260 0.000 2.340 1221 E HA 0.222 4.382 4.350 -0.316 0.000 0.198 1221 E C 0.432 177.210 176.600 0.296 0.000 0.961 1221 E CA 0.176 56.729 56.400 0.255 0.000 0.905 1221 E CB 0.814 30.662 29.700 0.245 0.000 0.884 1221 E HN 0.672 nan 8.360 nan 0.000 0.491 1222 M N 1.556 121.333 119.600 0.296 0.000 2.263 1222 M HA 0.363 4.653 4.480 -0.316 0.000 0.295 1222 M C -2.086 174.377 176.300 0.271 0.000 1.028 1222 M CA -0.954 54.533 55.300 0.311 0.000 0.921 1222 M CB 2.006 34.772 32.600 0.276 0.000 1.601 1222 M HN -0.035 nan 8.290 nan 0.000 0.440 1223 L N 7.305 128.684 121.223 0.259 0.000 2.325 1223 L HA 0.859 5.009 4.340 -0.316 0.000 0.281 1223 L C -1.179 175.807 176.870 0.193 0.000 1.004 1223 L CA -0.107 54.853 54.840 0.200 0.000 0.823 1223 L CB 1.170 43.327 42.059 0.163 0.000 1.236 1223 L HN 1.026 nan 8.230 nan 0.000 0.415 1224 C N 1.875 121.334 119.300 0.264 0.000 3.080 1224 C HA 1.091 5.361 4.460 -0.316 0.000 0.307 1224 C C 0.035 175.149 174.990 0.207 0.000 1.311 1224 C CA -0.055 59.105 59.018 0.236 0.000 1.533 1224 C CB 1.131 28.977 27.740 0.178 0.000 1.970 1224 C HN 1.304 nan 8.230 nan 0.000 0.467 1225 G N -0.722 108.013 108.800 -0.107 0.000 2.340 1225 G HA2 0.588 4.358 3.960 -0.316 0.000 0.298 1225 G HA3 0.588 4.358 3.960 -0.316 0.000 0.298 1225 G C -0.782 173.869 174.900 -0.415 0.000 1.498 1225 G CA 0.071 44.966 45.100 -0.342 0.000 0.847 1225 G HN 1.846 nan 8.290 nan 0.000 0.594 1226 G N 1.401 110.063 108.800 -0.229 0.000 4.106 1226 G HA2 0.657 4.428 3.960 -0.316 0.000 0.344 1226 G HA3 0.657 4.428 3.960 -0.316 0.000 0.344 1226 G C -2.298 172.340 174.900 -0.436 0.000 1.477 1226 G CA -1.273 43.661 45.100 -0.277 0.000 1.068 1226 G HN 0.477 nan 8.290 nan 0.000 0.488 1227 P HA 0.167 nan 4.420 nan 0.000 0.265 1227 P C -2.709 174.225 177.300 -0.610 0.000 1.222 1227 P CA -1.257 61.068 63.100 -1.292 0.000 0.767 1227 P CB 0.970 32.208 31.700 -0.769 0.000 0.801 1228 P HA -0.036 nan 4.420 nan 0.000 0.262 1228 P C 0.065 177.316 177.300 -0.081 0.000 1.199 1228 P CA 0.218 63.191 63.100 -0.211 0.000 0.763 1228 P CB 0.047 31.644 31.700 -0.172 0.000 0.790 1229 C N 5.619 124.960 119.300 0.068 0.000 2.250 1229 C HA 0.162 4.433 4.460 -0.316 0.000 0.380 1229 C C 1.598 176.678 174.990 0.149 0.000 1.075 1229 C CA -0.164 58.982 59.018 0.213 0.000 1.577 1229 C CB -1.510 26.465 27.740 0.392 0.000 1.608 1229 C HN 0.584 nan 8.230 nan 0.000 0.477 1230 Q N 2.660 122.503 119.800 0.072 0.000 1.994 1230 Q HA 0.081 4.231 4.340 -0.316 0.000 0.198 1230 Q C 1.653 177.563 176.000 -0.150 0.000 0.976 1230 Q CA 1.308 57.086 55.803 -0.042 0.000 0.828 1230 Q CB -0.387 28.314 28.738 -0.061 0.000 0.894 1230 Q HN 0.816 nan 8.270 nan 0.000 0.432 1231 G N 0.064 108.685 108.800 -0.297 0.000 2.467 1231 G HA2 0.039 3.809 3.960 -0.316 0.000 0.243 1231 G HA3 0.039 3.809 3.960 -0.316 0.000 0.243 1231 G C -0.162 174.469 174.900 -0.448 0.000 1.521 1231 G CA 0.223 45.000 45.100 -0.537 0.000 1.055 1231 G HN 0.407 nan 8.290 nan 0.000 0.553 1232 F N -1.474 118.374 119.950 -0.169 0.000 2.890 1232 F HA -0.252 4.085 4.527 -0.318 0.000 0.346 1232 F C 2.229 177.870 175.800 -0.265 0.000 0.660 1232 F CA 0.828 58.723 58.000 -0.175 0.000 1.091 1232 F CB -1.946 36.967 39.000 -0.147 0.000 1.535 1232 F HN 0.186 nan 8.300 nan 0.000 0.314 1233 S N -0.415 115.172 115.700 -0.189 0.000 2.402 1233 S HA 0.057 4.338 4.470 -0.316 0.000 0.229 1233 S C 1.808 176.467 174.600 0.099 0.000 1.021 1233 S CA 0.780 58.934 58.200 -0.077 0.000 0.974 1233 S CB -0.386 62.779 63.200 -0.058 0.000 0.800 1233 S HN 0.649 nan 8.310 nan 0.000 0.484 1234 G N 2.604 111.433 108.800 0.049 0.000 2.690 1234 G HA2 0.247 4.018 3.960 -0.316 0.000 0.294 1234 G HA3 0.247 4.018 3.960 -0.316 0.000 0.294 1234 G C 0.348 175.311 174.900 0.105 0.000 0.793 1234 G CA -0.430 44.709 45.100 0.064 0.000 1.818 1234 G HN 0.381 nan 8.290 nan 0.000 0.515 1235 M N 1.627 121.307 119.600 0.134 0.000 3.543 1235 M HA 0.070 4.360 4.480 -0.316 0.000 0.181 1235 M C 1.099 177.464 176.300 0.109 0.000 1.448 1235 M CA 0.126 55.513 55.300 0.146 0.000 1.587 1235 M CB -1.701 30.982 32.600 0.139 0.000 1.380 1235 M HN 0.529 nan 8.290 nan 0.000 0.447 1236 N N 0.972 119.731 118.700 0.099 0.000 2.476 1236 N HA 0.668 5.219 4.740 -0.316 0.000 0.275 1236 N C 0.467 176.046 175.510 0.115 0.000 1.190 1236 N CA -0.142 52.958 53.050 0.083 0.000 0.977 1236 N CB 0.411 38.931 38.487 0.055 0.000 1.200 1236 N HN 0.610 nan 8.380 nan 0.000 0.515 1237 R N -0.157 120.405 120.500 0.103 0.000 2.756 1237 R HA 0.389 4.540 4.340 -0.316 0.000 0.264 1237 R C -0.094 176.322 176.300 0.194 0.000 1.026 1237 R CA -0.311 55.874 56.100 0.141 0.000 1.121 1237 R CB -0.916 29.443 30.300 0.099 0.000 0.999 1237 R HN 0.665 nan 8.270 nan 0.000 0.449 1238 F N 2.306 122.274 119.950 0.030 0.000 2.533 1238 F HA 0.091 4.428 4.527 -0.317 0.000 0.378 1238 F C 1.071 176.901 175.800 0.049 0.000 1.070 1238 F CA 0.670 58.699 58.000 0.048 0.000 1.172 1238 F CB 0.576 39.592 39.000 0.027 0.000 1.085 1238 F HN 0.943 nan 8.300 nan 0.000 0.552 1239 N N 0.590 119.290 118.700 0.001 0.000 2.643 1239 N HA 0.293 4.843 4.740 -0.316 0.000 0.305 1239 N C 0.555 176.086 175.510 0.034 0.000 1.283 1239 N CA -0.232 52.832 53.050 0.024 0.000 0.946 1239 N CB 0.369 38.854 38.487 -0.004 0.000 1.149 1239 N HN 0.319 nan 8.380 nan 0.000 0.600 1240 S N -0.757 114.970 115.700 0.045 0.000 2.356 1240 S HA -0.238 4.042 4.470 -0.316 0.000 0.223 1240 S C 1.754 176.412 174.600 0.096 0.000 1.032 1240 S CA 1.156 59.403 58.200 0.078 0.000 1.005 1240 S CB -0.692 62.539 63.200 0.052 0.000 0.867 1240 S HN 0.712 nan 8.310 nan 0.000 0.449 1241 R N 1.661 122.182 120.500 0.035 0.000 2.096 1241 R HA -0.092 4.058 4.340 -0.316 0.000 0.235 1241 R C 1.888 178.181 176.300 -0.011 0.000 1.127 1241 R CA 1.840 57.952 56.100 0.019 0.000 0.968 1241 R CB -1.292 29.001 30.300 -0.011 0.000 0.861 1241 R HN 0.329 nan 8.270 nan 0.000 0.440 1242 T N 0.610 115.098 114.554 -0.110 0.000 2.720 1242 T HA -0.231 3.929 4.350 -0.316 0.000 0.268 1242 T C 1.423 175.997 174.700 -0.210 0.000 1.037 1242 T CA 1.774 63.692 62.100 -0.303 0.000 1.144 1242 T CB -0.524 67.908 68.868 -0.727 0.000 0.864 1242 T HN 0.448 nan 8.240 nan 0.000 0.444 1243 Y N 1.713 121.927 120.300 -0.143 0.000 2.256 1243 Y HA -0.192 4.168 4.550 -0.316 0.000 0.288 1243 Y C 2.628 178.679 175.900 0.251 0.000 1.155 1243 Y CA 1.359 59.596 58.100 0.229 0.000 1.203 1243 Y CB -0.197 38.419 38.460 0.261 0.000 0.980 1243 Y HN 0.130 nan 8.280 nan 0.000 0.530 1244 S N 0.043 115.841 115.700 0.163 0.000 2.355 1244 S HA -0.178 4.102 4.470 -0.316 0.000 0.222 1244 S C 1.916 176.555 174.600 0.066 0.000 1.031 1244 S CA 1.282 59.530 58.200 0.081 0.000 0.993 1244 S CB -0.288 62.965 63.200 0.087 0.000 0.859 1244 S HN 0.378 nan 8.310 nan 0.000 0.453 1245 K N 0.146 120.598 120.400 0.088 0.000 2.044 1245 K HA -0.159 3.971 4.320 -0.316 0.000 0.210 1245 K C 1.908 178.684 176.600 0.294 0.000 1.049 1245 K CA 1.557 57.912 56.287 0.113 0.000 0.927 1245 K CB -0.280 32.236 32.500 0.026 0.000 0.713 1245 K HN 0.345 nan 8.250 nan 0.000 0.443 1246 F N 1.802 121.900 119.950 0.246 0.000 2.146 1246 F HA -0.187 4.150 4.527 -0.317 0.000 0.298 1246 F C 2.359 178.188 175.800 0.047 0.000 1.096 1246 F CA 2.337 60.470 58.000 0.222 0.000 1.275 1246 F CB -0.449 38.652 39.000 0.168 0.000 1.008 1246 F HN -0.057 nan 8.300 nan 0.000 0.480 1247 K N 0.146 120.515 120.400 -0.052 0.000 2.360 1247 K HA -0.151 3.979 4.320 -0.316 0.000 0.201 1247 K C 1.600 178.131 176.600 -0.114 0.000 1.046 1247 K CA 1.677 57.861 56.287 -0.172 0.000 0.945 1247 K CB -1.299 31.098 32.500 -0.173 0.000 0.750 1247 K HN 0.630 nan 8.250 nan 0.000 0.464 1248 N N 0.485 119.156 118.700 -0.048 0.000 2.204 1248 N HA -0.005 4.545 4.740 -0.316 0.000 0.219 1248 N C -0.103 175.414 175.510 0.012 0.000 1.151 1248 N CA 0.451 53.494 53.050 -0.012 0.000 0.867 1248 N CB 0.339 38.832 38.487 0.010 0.000 1.043 1248 N HN 0.515 nan 8.380 nan 0.000 0.516 1249 S N -0.498 115.192 115.700 -0.016 0.000 2.669 1249 S HA 0.292 4.572 4.470 -0.316 0.000 0.270 1249 S C 1.464 176.089 174.600 0.041 0.000 1.225 1249 S CA -0.712 57.521 58.200 0.055 0.000 0.991 1249 S CB 1.108 64.386 63.200 0.131 0.000 0.987 1249 S HN 0.135 nan 8.310 nan 0.000 0.552 1250 L N 1.177 122.456 121.223 0.094 0.000 2.240 1250 L HA -0.001 4.149 4.340 -0.316 0.000 0.211 1250 L C 2.669 179.653 176.870 0.189 0.000 1.106 1250 L CA 0.854 55.788 54.840 0.157 0.000 0.793 1250 L CB -0.626 41.462 42.059 0.048 0.000 0.927 1250 L HN 0.810 nan 8.230 nan 0.000 0.446 1251 V N -2.514 117.461 119.914 0.103 0.000 2.427 1251 V HA -0.159 3.772 4.120 -0.316 0.000 0.248 1251 V C 2.200 178.395 176.094 0.170 0.000 1.051 1251 V CA 1.520 63.939 62.300 0.198 0.000 1.048 1251 V CB -0.268 31.718 31.823 0.272 0.000 0.666 1251 V HN 0.158 nan 8.190 nan 0.000 0.456 1252 V N 1.024 120.880 119.914 -0.096 0.000 2.358 1252 V HA -0.189 3.741 4.120 -0.316 0.000 0.246 1252 V C 2.899 179.045 176.094 0.087 0.000 1.047 1252 V CA 2.385 64.610 62.300 -0.125 0.000 1.035 1252 V CB -0.817 30.797 31.823 -0.348 0.000 0.658 1252 V HN 0.656 nan 8.190 nan 0.000 0.452 1253 S N -0.164 115.639 115.700 0.172 0.000 2.359 1253 S HA -0.222 4.058 4.470 -0.316 0.000 0.224 1253 S C 1.817 176.705 174.600 0.480 0.000 1.035 1253 S CA 1.913 60.288 58.200 0.292 0.000 1.018 1253 S CB -0.495 62.908 63.200 0.338 0.000 0.876 1253 S HN 0.566 nan 8.310 nan 0.000 0.448 1254 F N 2.245 122.408 119.950 0.355 0.000 2.126 1254 F HA -0.063 4.277 4.527 -0.311 0.000 0.299 1254 F C 1.839 177.873 175.800 0.391 0.000 1.096 1254 F CA 1.053 59.286 58.000 0.390 0.000 1.255 1254 F CB -0.571 38.692 39.000 0.438 0.000 0.997 1254 F HN 0.108 nan 8.300 nan 0.000 0.479 1255 L N -1.000 120.385 121.223 0.271 0.000 2.131 1255 L HA -0.241 3.910 4.340 -0.316 0.000 0.210 1255 L C 2.505 179.391 176.870 0.027 0.000 1.092 1255 L CA 1.340 56.207 54.840 0.044 0.000 0.759 1255 L CB -0.876 41.214 42.059 0.052 0.000 0.903 1255 L HN 0.051 nan 8.230 nan 0.000 0.435 1256 S N -1.206 114.556 115.700 0.103 0.000 2.368 1256 S HA -0.193 4.088 4.470 -0.316 0.000 0.225 1256 S C 1.859 176.491 174.600 0.053 0.000 1.030 1256 S CA 1.195 59.422 58.200 0.046 0.000 0.999 1256 S CB -0.342 62.870 63.200 0.020 0.000 0.844 1256 S HN 0.331 nan 8.310 nan 0.000 0.459 1257 Y N 0.533 120.865 120.300 0.054 0.000 2.128 1257 Y HA -0.261 4.101 4.550 -0.314 0.000 0.284 1257 Y C 3.014 178.997 175.900 0.140 0.000 1.154 1257 Y CA 1.260 59.451 58.100 0.152 0.000 1.149 1257 Y CB -0.797 37.712 38.460 0.081 0.000 0.976 1257 Y HN 0.349 nan 8.280 nan 0.000 0.505 1258 C N 0.200 119.559 119.300 0.099 0.000 2.413 1258 C HA -0.241 4.029 4.460 -0.316 0.000 0.276 1258 C C 2.638 177.622 174.990 -0.009 0.000 1.236 1258 C CA 2.080 61.078 59.018 -0.032 0.000 1.735 1258 C CB -1.114 26.371 27.740 -0.426 0.000 2.031 1258 C HN 0.665 nan 8.230 nan 0.000 0.474 1259 D N -1.854 118.525 120.400 -0.036 0.000 2.117 1259 D HA -0.178 4.272 4.640 -0.316 0.000 0.197 1259 D C 1.922 178.155 176.300 -0.112 0.000 0.987 1259 D CA 1.561 55.523 54.000 -0.064 0.000 0.829 1259 D CB -0.456 40.314 40.800 -0.049 0.000 0.961 1259 D HN 0.717 nan 8.370 nan 0.000 0.460 1260 Y N -0.745 119.433 120.300 -0.202 0.000 2.133 1260 Y HA -0.205 4.155 4.550 -0.317 0.000 0.287 1260 Y C 1.751 177.431 175.900 -0.366 0.000 1.134 1260 Y CA 1.630 59.522 58.100 -0.347 0.000 1.133 1260 Y CB -0.297 37.854 38.460 -0.515 0.000 0.987 1260 Y HN 0.025 nan 8.280 nan 0.000 0.502 1261 Y N -0.003 120.205 120.300 -0.154 0.000 2.457 1261 Y HA 0.038 4.399 4.550 -0.316 0.000 0.292 1261 Y C 0.513 176.317 175.900 -0.160 0.000 1.125 1261 Y CA 0.560 58.553 58.100 -0.179 0.000 1.254 1261 Y CB 0.086 38.548 38.460 0.005 0.000 1.012 1261 Y HN -0.110 nan 8.280 nan 0.000 0.555 1262 R N 0.068 120.554 120.500 -0.024 0.000 3.092 1262 R HA -0.160 3.990 4.340 -0.316 0.000 0.245 1262 R C -2.926 173.515 176.300 0.235 0.000 0.881 1262 R CA 0.217 56.281 56.100 -0.061 0.000 0.614 1262 R CB -2.254 27.707 30.300 -0.566 0.000 1.128 1262 R HN 0.298 nan 8.270 nan 0.000 0.483 1263 P HA 0.121 nan 4.420 nan 0.000 0.274 1263 P C 0.736 178.269 177.300 0.388 0.000 1.246 1263 P CA -0.391 62.915 63.100 0.343 0.000 0.795 1263 P CB 0.597 32.489 31.700 0.320 0.000 1.006 1264 R N -0.013 120.625 120.500 0.230 0.000 2.092 1264 R HA 0.045 4.195 4.340 -0.316 0.000 0.231 1264 R C 0.268 176.377 176.300 -0.318 0.000 1.119 1264 R CA 1.370 57.442 56.100 -0.047 0.000 0.970 1264 R CB -0.301 29.965 30.300 -0.057 0.000 0.864 1264 R HN 0.468 nan 8.270 nan 0.000 0.440 1265 F N -1.110 119.012 119.950 0.288 0.000 2.588 1265 F HA 0.375 4.712 4.527 -0.316 0.000 0.310 1265 F C -0.719 175.259 175.800 0.297 0.000 1.082 1265 F CA -1.309 56.846 58.000 0.259 0.000 0.929 1265 F CB 1.802 40.883 39.000 0.135 0.000 1.254 1265 F HN -0.241 nan 8.300 nan 0.000 0.455 1266 F N 4.894 125.020 119.950 0.293 0.000 2.557 1266 F HA 0.690 5.029 4.527 -0.315 0.000 0.316 1266 F C -2.214 173.715 175.800 0.214 0.000 1.141 1266 F CA -0.839 57.255 58.000 0.157 0.000 0.922 1266 F CB 1.279 40.234 39.000 -0.076 0.000 1.194 1266 F HN 0.330 nan 8.300 nan 0.000 0.443 1267 L N 8.682 129.676 121.223 -0.381 0.000 2.372 1267 L HA 0.557 4.707 4.340 -0.316 0.000 0.274 1267 L C -2.020 174.639 176.870 -0.351 0.000 0.988 1267 L CA -0.671 54.055 54.840 -0.190 0.000 0.833 1267 L CB 1.526 43.645 42.059 0.099 0.000 1.236 1267 L HN 0.853 nan 8.230 nan 0.000 0.410 1268 L N 5.205 126.288 121.223 -0.235 0.000 2.294 1268 L HA 0.463 4.613 4.340 -0.316 0.000 0.283 1268 L C -0.356 176.416 176.870 -0.163 0.000 1.015 1268 L CA -0.398 54.351 54.840 -0.151 0.000 0.831 1268 L CB 1.615 43.721 42.059 0.079 0.000 1.217 1268 L HN 0.780 nan 8.230 nan 0.000 0.420 1269 E N 5.480 125.555 120.200 -0.208 0.000 2.227 1269 E HA 0.578 4.738 4.350 -0.316 0.000 0.268 1269 E C -1.309 175.152 176.600 -0.232 0.000 0.990 1269 E CA -0.559 55.737 56.400 -0.174 0.000 0.856 1269 E CB 1.723 31.344 29.700 -0.131 0.000 1.159 1269 E HN 0.604 nan 8.360 nan 0.000 0.401 1270 N N 0.447 119.042 118.700 -0.174 0.000 3.261 1270 N HA 0.176 4.726 4.740 -0.316 0.000 0.248 1270 N C -1.301 174.205 175.510 -0.006 0.000 1.498 1270 N CA -0.166 52.808 53.050 -0.127 0.000 0.884 1270 N CB 1.612 39.929 38.487 -0.283 0.000 1.428 1270 N HN 0.524 nan 8.380 nan 0.000 0.517 1271 V N 1.042 121.005 119.914 0.083 0.000 2.843 1271 V HA 0.212 4.143 4.120 -0.316 0.000 0.305 1271 V C 2.023 178.169 176.094 0.087 0.000 1.065 1271 V CA -0.115 62.244 62.300 0.098 0.000 1.116 1271 V CB 0.993 32.909 31.823 0.155 0.000 0.968 1271 V HN 0.792 nan 8.190 nan 0.000 0.487 1272 R N 2.947 123.478 120.500 0.051 0.000 2.159 1272 R HA -0.217 3.933 4.340 -0.316 0.000 0.252 1272 R C 1.510 177.803 176.300 -0.012 0.000 1.144 1272 R CA 2.663 58.784 56.100 0.036 0.000 0.961 1272 R CB -0.697 29.619 30.300 0.026 0.000 0.877 1272 R HN 0.930 nan 8.270 nan 0.000 0.444 1273 N N 0.472 119.092 118.700 -0.133 0.000 2.571 1273 N HA -0.113 4.437 4.740 -0.316 0.000 0.189 1273 N C 1.175 176.198 175.510 -0.812 0.000 1.154 1273 N CA 0.233 53.020 53.050 -0.437 0.000 0.907 1273 N CB -0.493 37.678 38.487 -0.526 0.000 0.977 1273 N HN 0.238 nan 8.380 nan 0.000 0.449 1274 F N 1.657 121.342 119.950 -0.442 0.000 2.154 1274 F HA -0.233 4.103 4.527 -0.318 0.000 0.301 1274 F C 2.049 177.757 175.800 -0.153 0.000 1.087 1274 F CA 1.040 58.942 58.000 -0.163 0.000 1.274 1274 F CB -0.028 38.992 39.000 0.032 0.000 1.009 1274 F HN -0.019 nan 8.300 nan 0.000 0.485 1275 V N -1.657 118.248 119.914 -0.015 0.000 2.970 1275 V HA -0.066 3.864 4.120 -0.316 0.000 0.260 1275 V C 1.667 177.666 176.094 -0.157 0.000 1.100 1275 V CA 1.747 64.002 62.300 -0.074 0.000 1.122 1275 V CB -0.930 30.927 31.823 0.057 0.000 0.721 1275 V HN 0.478 nan 8.190 nan 0.000 0.483 1276 S N -2.763 112.810 115.700 -0.211 0.000 2.604 1276 S HA 0.310 4.590 4.470 -0.316 0.000 0.235 1276 S C 0.483 175.046 174.600 -0.061 0.000 1.043 1276 S CA -0.531 57.592 58.200 -0.129 0.000 0.997 1276 S CB -0.668 62.480 63.200 -0.086 0.000 0.956 1276 S HN 0.572 nan 8.310 nan 0.000 0.535 1277 Y N 3.430 123.700 120.300 -0.050 0.000 2.895 1277 Y HA 0.108 4.466 4.550 -0.320 0.000 0.334 1277 Y C 0.706 176.609 175.900 0.006 0.000 1.261 1277 Y CA -0.217 57.881 58.100 -0.002 0.000 1.560 1277 Y CB 0.276 38.731 38.460 -0.009 0.000 1.253 1277 Y HN 0.111 nan 8.280 nan 0.000 0.582 1278 R N 3.153 123.824 120.500 0.286 0.000 3.251 1278 R HA -0.261 3.889 4.340 -0.316 0.000 0.249 1278 R C -0.141 176.242 176.300 0.139 0.000 0.949 1278 R CA 0.617 56.873 56.100 0.259 0.000 0.645 1278 R CB -1.496 29.090 30.300 0.476 0.000 1.065 1278 R HN 0.818 nan 8.270 nan 0.000 0.452 1279 R N -2.013 118.539 120.500 0.087 0.000 3.651 1279 R HA -0.230 3.920 4.340 -0.316 0.000 0.292 1279 R C 0.246 176.523 176.300 -0.038 0.000 1.161 1279 R CA 1.084 57.201 56.100 0.030 0.000 0.787 1279 R CB -2.505 27.819 30.300 0.039 0.000 1.249 1279 R HN 0.660 nan 8.270 nan 0.000 0.476 1280 S N -2.347 113.311 115.700 -0.071 0.000 3.127 1280 S HA -0.225 4.056 4.470 -0.316 0.000 0.281 1280 S C 1.351 175.793 174.600 -0.262 0.000 1.293 1280 S CA 1.446 59.552 58.200 -0.156 0.000 1.156 1280 S CB -0.605 62.531 63.200 -0.106 0.000 1.389 1280 S HN 0.331 nan 8.310 nan 0.000 0.672 1281 M N 0.151 119.561 119.600 -0.316 0.000 2.296 1281 M HA 0.019 4.309 4.480 -0.316 0.000 0.265 1281 M C 2.103 177.937 176.300 -0.777 0.000 1.064 1281 M CA 1.204 56.146 55.300 -0.597 0.000 1.109 1281 M CB -1.052 30.992 32.600 -0.927 0.000 1.396 1281 M HN 0.411 nan 8.290 nan 0.000 0.430 1282 V N 0.492 120.028 119.914 -0.629 0.000 2.270 1282 V HA -0.258 3.672 4.120 -0.316 0.000 0.245 1282 V C 2.425 178.178 176.094 -0.568 0.000 1.043 1282 V CA 1.452 63.332 62.300 -0.700 0.000 1.014 1282 V CB -0.789 30.674 31.823 -0.601 0.000 0.645 1282 V HN 0.366 nan 8.190 nan 0.000 0.447 1283 L N 0.225 121.123 121.223 -0.540 0.000 2.042 1283 L HA -0.205 3.945 4.340 -0.316 0.000 0.210 1283 L C 2.371 179.104 176.870 -0.229 0.000 1.076 1283 L CA 2.046 56.685 54.840 -0.335 0.000 0.749 1283 L CB -0.694 41.139 42.059 -0.376 0.000 0.893 1283 L HN 0.225 nan 8.230 nan 0.000 0.432 1284 K N -0.797 119.430 120.400 -0.289 0.000 2.103 1284 K HA -0.078 4.052 4.320 -0.316 0.000 0.204 1284 K C 2.091 178.589 176.600 -0.170 0.000 1.052 1284 K CA 1.453 57.613 56.287 -0.211 0.000 0.945 1284 K CB -0.249 32.123 32.500 -0.213 0.000 0.722 1284 K HN 0.363 nan 8.250 nan 0.000 0.443 1285 L N 0.740 121.801 121.223 -0.271 0.000 2.141 1285 L HA -0.151 4.000 4.340 -0.316 0.000 0.209 1285 L C 2.816 179.726 176.870 0.067 0.000 1.094 1285 L CA 1.435 56.174 54.840 -0.168 0.000 0.763 1285 L CB -0.694 41.075 42.059 -0.484 0.000 0.908 1285 L HN 0.346 nan 8.230 nan 0.000 0.437 1286 T N -1.385 113.245 114.554 0.128 0.000 2.942 1286 T HA -0.068 4.093 4.350 -0.316 0.000 0.265 1286 T C 1.860 176.648 174.700 0.145 0.000 1.062 1286 T CA 0.681 62.929 62.100 0.247 0.000 1.139 1286 T CB -0.094 69.022 68.868 0.415 0.000 0.883 1286 T HN 0.205 nan 8.240 nan 0.000 0.468 1287 L N 0.317 121.595 121.223 0.092 0.000 2.056 1287 L HA 0.094 4.244 4.340 -0.316 0.000 0.207 1287 L C 3.090 179.940 176.870 -0.032 0.000 1.078 1287 L CA 1.306 56.177 54.840 0.050 0.000 0.749 1287 L CB -0.520 41.572 42.059 0.056 0.000 0.901 1287 L HN 0.240 nan 8.230 nan 0.000 0.433 1288 R N 0.037 120.523 120.500 -0.023 0.000 2.091 1288 R HA -0.218 3.932 4.340 -0.316 0.000 0.238 1288 R C 2.392 178.717 176.300 0.040 0.000 1.136 1288 R CA 2.177 58.272 56.100 -0.008 0.000 0.959 1288 R CB -1.355 28.954 30.300 0.015 0.000 0.856 1288 R HN 0.420 nan 8.270 nan 0.000 0.437 1289 C N -0.362 118.979 119.300 0.069 0.000 2.453 1289 C HA 0.056 4.326 4.460 -0.316 0.000 0.277 1289 C C 2.538 177.559 174.990 0.052 0.000 1.262 1289 C CA 0.712 59.777 59.018 0.078 0.000 1.718 1289 C CB -1.167 26.632 27.740 0.099 0.000 2.031 1289 C HN 0.640 nan 8.230 nan 0.000 0.480 1290 L N 0.267 121.502 121.223 0.020 0.000 2.083 1290 L HA -0.121 4.029 4.340 -0.316 0.000 0.209 1290 L C 2.590 179.547 176.870 0.145 0.000 1.083 1290 L CA 1.320 56.175 54.840 0.025 0.000 0.752 1290 L CB -0.569 41.475 42.059 -0.026 0.000 0.899 1290 L HN 0.247 nan 8.230 nan 0.000 0.433 1291 V N -0.322 119.629 119.914 0.061 0.000 2.358 1291 V HA -0.280 3.651 4.120 -0.316 0.000 0.246 1291 V C 2.618 178.805 176.094 0.156 0.000 1.047 1291 V CA 1.785 64.131 62.300 0.076 0.000 1.035 1291 V CB -0.632 31.145 31.823 -0.077 0.000 0.658 1291 V HN 0.445 nan 8.190 nan 0.000 0.452 1292 R N -0.323 120.257 120.500 0.132 0.000 2.139 1292 R HA -0.172 3.978 4.340 -0.316 0.000 0.243 1292 R C 2.170 178.556 176.300 0.144 0.000 1.145 1292 R CA 1.814 57.997 56.100 0.137 0.000 0.976 1292 R CB -0.226 30.139 30.300 0.108 0.000 0.866 1292 R HN 0.429 nan 8.270 nan 0.000 0.449 1293 M N -1.198 118.511 119.600 0.181 0.000 2.562 1293 M HA 0.077 4.368 4.480 -0.316 0.000 0.257 1293 M C 0.990 177.494 176.300 0.341 0.000 1.099 1293 M CA 1.153 56.590 55.300 0.228 0.000 1.099 1293 M CB 0.722 33.514 32.600 0.320 0.000 1.427 1293 M HN 0.548 nan 8.290 nan 0.000 0.489 1294 G N -0.309 108.668 108.800 0.296 0.000 2.144 1294 G HA2 -0.257 3.513 3.960 -0.316 0.000 0.218 1294 G HA3 -0.257 3.513 3.960 -0.316 0.000 0.218 1294 G C -0.311 174.668 174.900 0.131 0.000 0.988 1294 G CA -0.607 44.633 45.100 0.233 0.000 0.659 1294 G HN 0.411 nan 8.290 nan 0.000 0.522 1295 Y N 1.447 121.872 120.300 0.208 0.000 2.309 1295 Y HA 0.442 4.803 4.550 -0.315 0.000 0.327 1295 Y C 1.407 177.396 175.900 0.148 0.000 1.172 1295 Y CA -0.019 58.175 58.100 0.156 0.000 1.280 1295 Y CB 0.662 39.208 38.460 0.143 0.000 1.234 1295 Y HN 0.315 nan 8.280 nan 0.000 0.512 1296 Q N 3.031 123.005 119.800 0.290 0.000 2.373 1296 Q HA 0.441 4.591 4.340 -0.316 0.000 0.255 1296 Q C -0.704 175.521 176.000 0.375 0.000 0.980 1296 Q CA -0.341 55.657 55.803 0.324 0.000 0.882 1296 Q CB 0.701 29.585 28.738 0.243 0.000 1.249 1296 Q HN 0.765 nan 8.270 nan 0.000 0.438 1297 C N -1.176 118.369 119.300 0.408 0.000 3.307 1297 C HA 0.910 5.180 4.460 -0.316 0.000 0.333 1297 C C -0.450 174.821 174.990 0.469 0.000 1.291 1297 C CA -0.724 58.532 59.018 0.397 0.000 1.273 1297 C CB 1.595 29.534 27.740 0.331 0.000 1.580 1297 C HN 0.918 nan 8.230 nan 0.000 0.481 1298 T N -0.051 114.761 114.554 0.430 0.000 2.739 1298 T HA 0.848 5.008 4.350 -0.316 0.000 0.303 1298 T C -1.664 173.374 174.700 0.564 0.000 1.389 1298 T CA -0.258 62.116 62.100 0.455 0.000 1.001 1298 T CB 1.517 70.585 68.868 0.334 0.000 1.436 1298 T HN 1.889 nan 8.240 nan 0.000 0.500 1299 F N -0.703 119.481 119.950 0.389 0.000 2.629 1299 F HA 0.957 5.294 4.527 -0.317 0.000 0.316 1299 F C -0.278 175.623 175.800 0.168 0.000 1.081 1299 F CA -0.474 57.745 58.000 0.365 0.000 0.954 1299 F CB 1.456 40.600 39.000 0.239 0.000 1.337 1299 F HN 0.908 nan 8.300 nan 0.000 0.474 1300 G N 0.301 109.070 108.800 -0.052 0.000 2.523 1300 G HA2 0.527 4.298 3.960 -0.316 0.000 0.291 1300 G HA3 0.527 4.298 3.960 -0.316 0.000 0.291 1300 G C -2.607 172.144 174.900 -0.250 0.000 1.450 1300 G CA -0.809 43.910 45.100 -0.635 0.000 0.790 1300 G HN 0.762 nan 8.290 nan 0.000 0.496 1301 V N 0.725 120.499 119.914 -0.233 0.000 2.513 1301 V HA 0.696 4.626 4.120 -0.316 0.000 0.299 1301 V C -0.056 175.974 176.094 -0.106 0.000 1.035 1301 V CA -0.538 61.714 62.300 -0.081 0.000 0.889 1301 V CB 1.317 33.141 31.823 0.002 0.000 0.988 1301 V HN 0.624 nan 8.190 nan 0.000 0.440 1302 L N 3.367 124.570 121.223 -0.033 0.000 2.323 1302 L HA 0.672 4.822 4.340 -0.316 0.000 0.265 1302 L C -0.771 176.129 176.870 0.050 0.000 1.012 1302 L CA -0.877 53.981 54.840 0.031 0.000 0.820 1302 L CB 2.239 44.316 42.059 0.030 0.000 1.334 1302 L HN 0.600 nan 8.230 nan 0.000 0.427 1303 Q N 0.876 120.740 119.800 0.106 0.000 2.357 1303 Q HA 0.475 4.625 4.340 -0.316 0.000 0.266 1303 Q C 0.171 176.174 176.000 0.006 0.000 1.021 1303 Q CA -0.106 55.694 55.803 -0.005 0.000 0.784 1303 Q CB 1.941 30.636 28.738 -0.072 0.000 1.243 1303 Q HN 0.693 nan 8.270 nan 0.000 0.465 1304 A N 3.682 126.468 122.820 -0.056 0.000 1.948 1304 A HA -0.131 3.999 4.320 -0.316 0.000 0.220 1304 A C 1.746 179.211 177.584 -0.199 0.000 1.177 1304 A CA 1.898 53.915 52.037 -0.033 0.000 0.636 1304 A CB -1.219 17.725 19.000 -0.093 0.000 0.815 1304 A HN 0.962 nan 8.150 nan 0.000 0.449 1305 G N -0.959 107.458 108.800 -0.638 0.000 2.507 1305 G HA2 -0.279 3.491 3.960 -0.316 0.000 0.221 1305 G HA3 -0.279 3.491 3.960 -0.316 0.000 0.221 1305 G C 1.446 175.898 174.900 -0.746 0.000 1.119 1305 G CA 1.027 45.375 45.100 -1.255 0.000 0.751 1305 G HN 0.684 nan 8.290 nan 0.000 0.574 1306 Q N -0.909 118.572 119.800 -0.532 0.000 2.444 1306 Q HA 0.095 4.245 4.340 -0.316 0.000 0.206 1306 Q C 0.326 175.902 176.000 -0.706 0.000 0.948 1306 Q CA 0.238 55.743 55.803 -0.497 0.000 0.946 1306 Q CB 0.146 28.539 28.738 -0.575 0.000 1.027 1306 Q HN 0.759 nan 8.270 nan 0.000 0.513 1307 Y N -1.501 118.781 120.300 -0.031 0.000 2.682 1307 Y HA 0.348 4.707 4.550 -0.318 0.000 0.251 1307 Y C 0.990 176.906 175.900 0.028 0.000 1.172 1307 Y CA -0.126 58.021 58.100 0.077 0.000 1.186 1307 Y CB 1.392 39.868 38.460 0.026 0.000 1.216 1307 Y HN 0.060 nan 8.280 nan 0.000 0.540 1308 G N 0.267 108.942 108.800 -0.208 0.000 2.145 1308 G HA2 -0.160 3.610 3.960 -0.316 0.000 0.176 1308 G HA3 -0.160 3.610 3.960 -0.316 0.000 0.176 1308 G C -0.859 173.957 174.900 -0.139 0.000 1.013 1308 G CA -0.101 44.645 45.100 -0.591 0.000 0.689 1308 G HN 0.160 nan 8.290 nan 0.000 0.506 1309 V N 0.163 119.981 119.914 -0.159 0.000 2.823 1309 V HA 0.816 4.746 4.120 -0.316 0.000 0.312 1309 V C 0.599 176.614 176.094 -0.132 0.000 1.072 1309 V CA -0.035 62.202 62.300 -0.105 0.000 0.937 1309 V CB 2.016 33.810 31.823 -0.048 0.000 1.013 1309 V HN 1.262 nan 8.190 nan 0.000 0.430 1310 A N 5.452 128.216 122.820 -0.094 0.000 3.168 1310 A HA 0.588 4.718 4.320 -0.316 0.000 0.260 1310 A C -0.019 177.773 177.584 0.347 0.000 1.598 1310 A CA 0.025 52.158 52.037 0.159 0.000 1.285 1310 A CB -0.400 18.686 19.000 0.144 0.000 1.149 1310 A HN 0.767 nan 8.150 nan 0.000 0.630 1311 Q N 0.229 120.168 119.800 0.230 0.000 2.386 1311 Q HA 0.311 4.461 4.340 -0.316 0.000 0.274 1311 Q C -1.493 174.549 176.000 0.070 0.000 1.011 1311 Q CA -0.489 55.471 55.803 0.263 0.000 0.867 1311 Q CB 1.574 30.373 28.738 0.102 0.000 1.409 1311 Q HN 0.279 nan 8.270 nan 0.000 0.395 1312 T N 3.672 118.345 114.554 0.200 0.000 2.729 1312 T HA 0.436 4.597 4.350 -0.316 0.000 0.296 1312 T C -0.352 174.379 174.700 0.050 0.000 0.928 1312 T CA -0.243 61.911 62.100 0.090 0.000 1.045 1312 T CB 0.240 69.239 68.868 0.219 0.000 0.902 1312 T HN 0.419 nan 8.240 nan 0.000 0.500 1313 R N 2.877 123.351 120.500 -0.043 0.000 2.810 1313 R HA 0.212 4.362 4.340 -0.316 0.000 0.280 1313 R C -0.863 175.422 176.300 -0.024 0.000 1.517 1313 R CA -0.573 55.519 56.100 -0.013 0.000 1.063 1313 R CB 0.740 31.025 30.300 -0.025 0.000 1.275 1313 R HN 0.555 nan 8.270 nan 0.000 0.464 1314 R N 3.176 123.680 120.500 0.007 0.000 2.265 1314 R HA 0.397 4.547 4.340 -0.316 0.000 0.314 1314 R C -0.222 176.088 176.300 0.016 0.000 1.053 1314 R CA -0.292 55.814 56.100 0.011 0.000 0.931 1314 R CB 1.292 31.608 30.300 0.026 0.000 1.024 1314 R HN 0.341 nan 8.270 nan 0.000 0.457 1315 R N 1.172 121.678 120.500 0.010 0.000 2.750 1315 R HA 0.482 4.632 4.340 -0.316 0.000 0.281 1315 R C -0.911 175.403 176.300 0.025 0.000 0.972 1315 R CA -0.921 55.185 56.100 0.011 0.000 0.912 1315 R CB 2.294 32.587 30.300 -0.012 0.000 1.187 1315 R HN 0.584 nan 8.270 nan 0.000 0.464 1316 A N 3.076 125.918 122.820 0.037 0.000 2.316 1316 A HA 0.612 4.742 4.320 -0.316 0.000 0.284 1316 A C -0.374 177.238 177.584 0.046 0.000 1.115 1316 A CA -0.344 51.737 52.037 0.073 0.000 0.812 1316 A CB 0.568 19.649 19.000 0.134 0.000 1.064 1316 A HN 0.464 nan 8.150 nan 0.000 0.489 1317 I N 2.645 123.303 120.570 0.146 0.000 2.548 1317 I HA 0.274 4.255 4.170 -0.316 0.000 0.287 1317 I C -1.316 175.018 176.117 0.361 0.000 1.103 1317 I CA -0.365 61.065 61.300 0.218 0.000 1.049 1317 I CB 1.464 39.682 38.000 0.363 0.000 1.232 1317 I HN 0.387 nan 8.210 nan 0.000 0.429 1318 I N 6.921 127.651 120.570 0.265 0.000 2.339 1318 I HA 0.398 4.379 4.170 -0.316 0.000 0.290 1318 I C -0.010 176.316 176.117 0.349 0.000 0.994 1318 I CA -0.180 61.348 61.300 0.381 0.000 1.191 1318 I CB 1.244 39.471 38.000 0.378 0.000 1.343 1318 I HN 0.255 nan 8.210 nan 0.000 0.458 1319 L N 5.812 127.241 121.223 0.343 0.000 2.322 1319 L HA 0.912 5.062 4.340 -0.316 0.000 0.279 1319 L C -0.035 177.053 176.870 0.364 0.000 1.036 1319 L CA -0.641 54.356 54.840 0.262 0.000 0.807 1319 L CB 1.638 43.718 42.059 0.035 0.000 1.226 1319 L HN 0.696 nan 8.230 nan 0.000 0.433 1320 A N 2.233 125.307 122.820 0.423 0.000 2.515 1320 A HA 0.926 5.057 4.320 -0.316 0.000 0.298 1320 A C -1.308 176.533 177.584 0.428 0.000 1.059 1320 A CA -0.440 51.830 52.037 0.387 0.000 0.698 1320 A CB 1.948 21.067 19.000 0.197 0.000 1.289 1320 A HN 0.748 nan 8.150 nan 0.000 0.404 1321 A N 0.685 123.754 122.820 0.416 0.000 2.422 1321 A HA 0.858 4.989 4.320 -0.316 0.000 0.302 1321 A C 0.175 177.843 177.584 0.140 0.000 1.041 1321 A CA 0.014 52.169 52.037 0.198 0.000 0.708 1321 A CB 1.097 20.168 19.000 0.119 0.000 1.257 1321 A HN 2.472 nan 8.150 nan 0.000 0.414 1322 A N 3.041 125.788 122.820 -0.122 0.000 2.425 1322 A HA 0.561 4.691 4.320 -0.316 0.000 0.242 1322 A C -1.304 175.929 177.584 -0.585 0.000 1.077 1322 A CA -0.881 50.819 52.037 -0.560 0.000 0.781 1322 A CB -0.444 18.283 19.000 -0.455 0.000 1.020 1322 A HN 0.569 nan 8.150 nan 0.000 0.494 1323 P HA -0.227 nan 4.420 nan 0.000 0.219 1323 P C 1.452 178.555 177.300 -0.329 0.000 1.158 1323 P CA 2.406 65.161 63.100 -0.575 0.000 0.895 1323 P CB 0.021 31.228 31.700 -0.822 0.000 0.792 1324 G N -1.606 106.992 108.800 -0.336 0.000 2.848 1324 G HA2 -0.071 3.699 3.960 -0.316 0.000 0.208 1324 G HA3 -0.071 3.699 3.960 -0.316 0.000 0.208 1324 G C 0.561 175.387 174.900 -0.123 0.000 1.152 1324 G CA 0.172 45.163 45.100 -0.182 0.000 0.789 1324 G HN 0.241 nan 8.290 nan 0.000 0.531 1325 E N 0.138 120.244 120.200 -0.157 0.000 2.284 1325 E HA 0.398 4.558 4.350 -0.316 0.000 0.255 1325 E C -0.499 176.103 176.600 0.004 0.000 1.052 1325 E CA -0.587 55.757 56.400 -0.093 0.000 0.904 1325 E CB 1.072 30.603 29.700 -0.280 0.000 1.217 1325 E HN 0.021 nan 8.360 nan 0.000 0.438 1326 K N 0.665 121.122 120.400 0.095 0.000 2.172 1326 K HA 0.268 4.398 4.320 -0.316 0.000 0.276 1326 K C -0.291 176.425 176.600 0.192 0.000 1.013 1326 K CA -0.739 55.620 56.287 0.120 0.000 0.913 1326 K CB 0.773 33.340 32.500 0.112 0.000 1.055 1326 K HN 0.130 nan 8.250 nan 0.000 0.461 1327 L N 5.667 126.982 121.223 0.153 0.000 2.361 1327 L HA 0.232 4.383 4.340 -0.316 0.000 0.278 1327 L C -2.359 174.577 176.870 0.110 0.000 1.113 1327 L CA -1.565 53.380 54.840 0.174 0.000 0.849 1327 L CB 0.095 42.253 42.059 0.164 0.000 1.155 1327 L HN 0.464 nan 8.230 nan 0.000 0.452 1328 P HA 0.147 nan 4.420 nan 0.000 0.270 1328 P C -0.806 176.415 177.300 -0.133 0.000 1.223 1328 P CA -0.121 62.950 63.100 -0.048 0.000 0.785 1328 P CB 0.485 32.109 31.700 -0.128 0.000 0.923 1329 L N 0.676 121.817 121.223 -0.137 0.000 2.387 1329 L HA 0.430 4.580 4.340 -0.316 0.000 0.266 1329 L C 0.318 177.048 176.870 -0.234 0.000 1.059 1329 L CA -0.787 53.969 54.840 -0.140 0.000 0.801 1329 L CB 0.266 42.301 42.059 -0.041 0.000 1.223 1329 L HN 0.224 nan 8.230 nan 0.000 0.456 1330 F N 1.570 121.490 119.950 -0.049 0.000 2.429 1330 F HA 0.260 4.597 4.527 -0.317 0.000 0.348 1330 F C -1.694 174.101 175.800 -0.008 0.000 1.109 1330 F CA -1.725 56.253 58.000 -0.038 0.000 1.232 1330 F CB 0.143 39.113 39.000 -0.050 0.000 1.157 1330 F HN 0.199 nan 8.300 nan 0.000 0.564 1331 P HA 0.031 nan 4.420 nan 0.000 0.275 1331 P C -0.724 176.749 177.300 0.290 0.000 1.227 1331 P CA -0.293 62.913 63.100 0.176 0.000 0.781 1331 P CB 0.862 32.632 31.700 0.117 0.000 0.906 1332 E N 4.105 124.438 120.200 0.221 0.000 2.344 1332 E HA 0.187 4.347 4.350 -0.316 0.000 0.270 1332 E C -2.049 174.648 176.600 0.162 0.000 1.021 1332 E CA -1.859 54.643 56.400 0.169 0.000 0.887 1332 E CB -0.691 29.079 29.700 0.117 0.000 0.997 1332 E HN 0.313 nan 8.360 nan 0.000 0.429 1333 P HA -0.100 nan 4.420 nan 0.000 0.263 1333 P C -0.018 177.148 177.300 -0.224 0.000 1.175 1333 P CA 0.632 63.525 63.100 -0.344 0.000 0.761 1333 P CB 0.464 32.006 31.700 -0.263 0.000 0.794 1334 L N 1.698 122.780 121.223 -0.236 0.000 2.425 1334 L HA 0.127 4.277 4.340 -0.316 0.000 0.215 1334 L C 1.000 177.788 176.870 -0.137 0.000 1.065 1334 L CA 0.496 55.312 54.840 -0.039 0.000 0.842 1334 L CB -0.172 42.018 42.059 0.218 0.000 1.033 1334 L HN 0.472 nan 8.230 nan 0.000 0.474 1335 H N 0.113 119.128 119.070 -0.093 0.000 2.524 1335 H HA 0.358 4.726 4.556 -0.313 0.000 0.353 1335 H C -0.627 174.658 175.328 -0.071 0.000 1.136 1335 H CA -0.858 55.181 56.048 -0.015 0.000 1.193 1335 H CB 2.568 32.358 29.762 0.046 0.000 1.558 1335 H HN -0.190 nan 8.280 nan 0.000 0.515 1336 V N 0.978 120.925 119.914 0.055 0.000 2.740 1336 V HA 0.315 4.245 4.120 -0.316 0.000 0.303 1336 V C -0.256 175.943 176.094 0.174 0.000 1.054 1336 V CA -0.057 62.259 62.300 0.027 0.000 1.106 1336 V CB 0.107 31.912 31.823 -0.030 0.000 0.957 1336 V HN 0.550 nan 8.190 nan 0.000 0.486 1337 F N 1.869 121.769 119.950 -0.084 0.000 2.626 1337 F HA 0.735 5.070 4.527 -0.319 0.000 0.311 1337 F C 0.545 176.291 175.800 -0.090 0.000 1.088 1337 F CA -0.672 57.264 58.000 -0.107 0.000 0.949 1337 F CB 1.699 40.602 39.000 -0.162 0.000 1.322 1337 F HN 0.938 nan 8.300 nan 0.000 0.461 1338 A N 5.043 127.520 122.820 -0.572 0.000 2.550 1338 A HA 0.152 4.282 4.320 -0.316 0.000 0.263 1338 A C -2.044 175.499 177.584 -0.069 0.000 1.065 1338 A CA -0.601 51.267 52.037 -0.282 0.000 0.786 1338 A CB -0.636 18.175 19.000 -0.314 0.000 0.985 1338 A HN 0.589 nan 8.150 nan 0.000 0.518 1339 P HA -0.246 nan 4.420 nan 0.000 0.217 1339 P C 2.090 179.405 177.300 0.025 0.000 1.151 1339 P CA 2.497 65.602 63.100 0.008 0.000 0.849 1339 P CB 0.066 31.765 31.700 -0.001 0.000 0.787 1340 R N -0.123 120.392 120.500 0.024 0.000 2.193 1340 R HA 0.096 4.246 4.340 -0.316 0.000 0.229 1340 R C 2.064 178.400 176.300 0.060 0.000 1.110 1340 R CA 1.835 57.959 56.100 0.040 0.000 0.988 1340 R CB -1.975 28.353 30.300 0.046 0.000 0.871 1340 R HN 0.343 nan 8.270 nan 0.000 0.458 1341 A N -1.409 121.456 122.820 0.074 0.000 2.308 1341 A HA 0.291 4.422 4.320 -0.316 0.000 0.217 1341 A C 1.030 178.677 177.584 0.106 0.000 1.216 1341 A CA 0.558 52.661 52.037 0.111 0.000 0.864 1341 A CB -0.272 18.824 19.000 0.159 0.000 0.902 1341 A HN 0.524 nan 8.150 nan 0.000 0.499 1342 C N 1.484 120.832 119.300 0.081 0.000 2.513 1342 C HA 0.283 4.553 4.460 -0.316 0.000 0.281 1342 C C 0.103 175.114 174.990 0.034 0.000 1.501 1342 C CA -0.814 58.238 59.018 0.057 0.000 1.749 1342 C CB -1.115 26.659 27.740 0.057 0.000 2.955 1342 C HN 0.450 nan 8.230 nan 0.000 0.532 1343 Q N 1.257 121.078 119.800 0.036 0.000 2.452 1343 Q HA 0.245 4.395 4.340 -0.316 0.000 0.230 1343 Q C 0.719 176.734 176.000 0.026 0.000 1.180 1343 Q CA 0.394 56.214 55.803 0.029 0.000 0.914 1343 Q CB 0.517 29.274 28.738 0.032 0.000 1.408 1343 Q HN 0.723 nan 8.270 nan 0.000 0.520 1344 L N 0.199 121.431 121.223 0.015 0.000 2.607 1344 L HA 0.064 4.215 4.340 -0.316 0.000 0.228 1344 L C 0.986 177.860 176.870 0.006 0.000 1.123 1344 L CA 0.003 54.843 54.840 0.001 0.000 0.890 1344 L CB 0.120 42.166 42.059 -0.021 0.000 1.103 1344 L HN 0.289 nan 8.230 nan 0.000 0.468 1345 S N 0.294 116.011 115.700 0.028 0.000 2.610 1345 S HA 0.520 4.801 4.470 -0.316 0.000 0.273 1345 S C -0.377 174.282 174.600 0.098 0.000 1.274 1345 S CA -0.624 57.608 58.200 0.054 0.000 1.023 1345 S CB 2.349 65.576 63.200 0.044 0.000 0.962 1345 S HN 0.002 nan 8.310 nan 0.000 0.523 1346 V N 1.785 121.805 119.914 0.177 0.000 2.656 1346 V HA 0.746 4.676 4.120 -0.316 0.000 0.307 1346 V C -1.058 175.193 176.094 0.261 0.000 1.051 1346 V CA -0.737 61.701 62.300 0.229 0.000 0.893 1346 V CB 1.747 33.771 31.823 0.335 0.000 0.999 1346 V HN 0.867 nan 8.190 nan 0.000 0.426 1347 V N 6.480 126.495 119.914 0.168 0.000 2.370 1347 V HA 0.521 4.451 4.120 -0.316 0.000 0.279 1347 V C -0.166 176.025 176.094 0.162 0.000 1.029 1347 V CA -0.372 62.002 62.300 0.125 0.000 0.870 1347 V CB 1.569 33.422 31.823 0.049 0.000 0.984 1347 V HN 0.768 nan 8.190 nan 0.000 0.451 1348 V N 4.393 124.445 119.914 0.230 0.000 2.376 1348 V HA 0.414 4.345 4.120 -0.316 0.000 0.287 1348 V C -0.109 176.075 176.094 0.151 0.000 1.015 1348 V CA -0.639 61.793 62.300 0.220 0.000 0.834 1348 V CB 1.133 33.176 31.823 0.368 0.000 1.001 1348 V HN 0.996 nan 8.190 nan 0.000 0.428 1349 D N 4.006 124.453 120.400 0.079 0.000 2.697 1349 D HA -0.192 4.258 4.640 -0.316 0.000 0.238 1349 D C 0.661 176.978 176.300 0.029 0.000 1.152 1349 D CA 1.208 55.238 54.000 0.050 0.000 0.666 1349 D CB -0.613 40.222 40.800 0.058 0.000 1.037 1349 D HN 0.936 nan 8.370 nan 0.000 0.423 1350 D N -3.785 116.624 120.400 0.016 0.000 2.705 1350 D HA -0.211 4.239 4.640 -0.316 0.000 0.187 1350 D C 0.738 177.002 176.300 -0.059 0.000 1.015 1350 D CA 2.092 56.084 54.000 -0.014 0.000 1.030 1350 D CB -1.188 39.603 40.800 -0.014 0.000 1.100 1350 D HN 0.757 nan 8.370 nan 0.000 0.439 1351 K N 1.570 121.918 120.400 -0.087 0.000 2.297 1351 K HA 0.338 4.468 4.320 -0.316 0.000 0.286 1351 K C 0.204 176.568 176.600 -0.393 0.000 1.053 1351 K CA -0.219 55.903 56.287 -0.275 0.000 0.940 1351 K CB 0.708 32.990 32.500 -0.362 0.000 1.019 1351 K HN 0.191 nan 8.250 nan 0.000 0.475 1352 K N 2.667 122.844 120.400 -0.371 0.000 2.276 1352 K HA 0.436 4.566 4.320 -0.316 0.000 0.285 1352 K C -1.401 174.973 176.600 -0.377 0.000 1.062 1352 K CA -0.337 55.802 56.287 -0.246 0.000 0.918 1352 K CB 0.157 32.584 32.500 -0.121 0.000 1.055 1352 K HN 0.468 nan 8.250 nan 0.000 0.477 1353 F N 3.835 123.842 119.950 0.094 0.000 2.443 1353 F HA 0.346 4.683 4.527 -0.317 0.000 0.335 1353 F C 0.205 176.010 175.800 0.007 0.000 1.104 1353 F CA -0.753 57.288 58.000 0.068 0.000 1.013 1353 F CB 1.695 40.782 39.000 0.145 0.000 1.136 1353 F HN 0.235 nan 8.300 nan 0.000 0.470 1354 V N -0.550 119.482 119.914 0.195 0.000 3.074 1354 V HA 0.863 4.793 4.120 -0.316 0.000 0.314 1354 V C -0.190 175.920 176.094 0.025 0.000 1.117 1354 V CA -0.868 61.481 62.300 0.082 0.000 1.014 1354 V CB 1.374 33.260 31.823 0.106 0.000 1.057 1354 V HN 0.812 nan 8.190 nan 0.000 0.438 1355 S N 1.231 116.833 115.700 -0.163 0.000 2.686 1355 S HA 0.261 4.541 4.470 -0.316 0.000 0.270 1355 S C 1.000 175.292 174.600 -0.514 0.000 1.194 1355 S CA -0.061 57.946 58.200 -0.322 0.000 0.990 1355 S CB 0.677 63.579 63.200 -0.496 0.000 1.029 1355 S HN 1.119 nan 8.310 nan 0.000 0.560 1356 N N 0.020 118.297 118.700 -0.704 0.000 2.573 1356 N HA -0.066 4.484 4.740 -0.316 0.000 0.187 1356 N C 0.412 175.732 175.510 -0.317 0.000 1.107 1356 N CA 0.212 52.709 53.050 -0.921 0.000 0.918 1356 N CB -0.615 37.530 38.487 -0.569 0.000 0.966 1356 N HN 0.644 nan 8.380 nan 0.000 0.448 1357 I N 1.452 121.926 120.570 -0.160 0.000 2.826 1357 I HA -0.137 3.844 4.170 -0.316 0.000 0.295 1357 I C 1.192 177.297 176.117 -0.020 0.000 1.213 1357 I CA 0.491 61.768 61.300 -0.039 0.000 1.436 1357 I CB 0.716 38.714 38.000 -0.004 0.000 1.348 1357 I HN 0.079 nan 8.210 nan 0.000 0.570 1358 T N 5.467 120.029 114.554 0.014 0.000 3.034 1358 T HA 0.111 4.272 4.350 -0.316 0.000 0.248 1358 T C 0.907 175.631 174.700 0.040 0.000 1.040 1358 T CA 0.185 62.304 62.100 0.033 0.000 1.107 1358 T CB 0.119 69.015 68.868 0.047 0.000 0.932 1358 T HN 0.432 nan 8.240 nan 0.000 0.474 1359 R N 2.105 122.627 120.500 0.037 0.000 2.878 1359 R HA 0.270 4.420 4.340 -0.316 0.000 0.239 1359 R C 0.442 176.738 176.300 -0.006 0.000 1.515 1359 R CA -0.099 56.017 56.100 0.027 0.000 1.210 1359 R CB -0.152 30.145 30.300 -0.004 0.000 1.209 1359 R HN 0.331 nan 8.270 nan 0.000 0.610 1360 L N 0.313 121.540 121.223 0.006 0.000 2.592 1360 L HA 0.010 4.160 4.340 -0.316 0.000 0.227 1360 L C 1.105 177.969 176.870 -0.010 0.000 1.127 1360 L CA 0.430 55.269 54.840 -0.001 0.000 0.884 1360 L CB 0.061 42.125 42.059 0.008 0.000 1.065 1360 L HN 0.549 nan 8.230 nan 0.000 0.457 1361 S N -3.241 112.447 115.700 -0.019 0.000 3.884 1361 S HA 0.150 4.430 4.470 -0.316 0.000 0.174 1361 S C 0.775 175.324 174.600 -0.085 0.000 0.872 1361 S CA -0.104 58.076 58.200 -0.033 0.000 1.015 1361 S CB 0.289 63.480 63.200 -0.015 0.000 1.395 1361 S HN 0.071 nan 8.310 nan 0.000 0.737 1362 S N 0.396 116.028 115.700 -0.112 0.000 2.596 1362 S HA 0.706 4.986 4.470 -0.316 0.000 0.262 1362 S C 0.218 174.470 174.600 -0.580 0.000 1.218 1362 S CA 0.310 58.334 58.200 -0.292 0.000 0.998 1362 S CB 0.480 63.531 63.200 -0.248 0.000 1.060 1362 S HN 1.199 nan 8.310 nan 0.000 0.552 1363 G N -0.420 107.727 108.800 -1.089 0.000 2.451 1363 G HA2 0.423 4.194 3.960 -0.316 0.000 0.292 1363 G HA3 0.423 4.194 3.960 -0.316 0.000 0.292 1363 G C -2.913 171.225 174.900 -1.270 0.000 1.427 1363 G CA -0.696 43.693 45.100 -1.186 0.000 0.792 1363 G HN 0.368 nan 8.290 nan 0.000 0.498 1364 P HA 0.094 nan 4.420 nan 0.000 0.217 1364 P C 0.044 176.888 177.300 -0.760 0.000 1.150 1364 P CA 1.070 63.633 63.100 -0.894 0.000 0.832 1364 P CB 0.084 31.193 31.700 -0.985 0.000 0.787 1365 F N -1.189 118.578 119.950 -0.305 0.000 2.546 1365 F HA 0.381 4.719 4.527 -0.316 0.000 0.320 1365 F C 1.104 176.799 175.800 -0.174 0.000 1.076 1365 F CA -1.594 56.218 58.000 -0.313 0.000 0.928 1365 F CB 1.270 39.819 39.000 -0.753 0.000 1.189 1365 F HN -0.369 nan 8.300 nan 0.000 0.465 1366 R N 0.061 120.674 120.500 0.188 0.000 2.734 1366 R HA 0.223 4.374 4.340 -0.316 0.000 0.266 1366 R C -0.033 176.453 176.300 0.310 0.000 1.044 1366 R CA -0.519 55.703 56.100 0.202 0.000 1.128 1366 R CB 0.392 30.821 30.300 0.214 0.000 1.010 1366 R HN 0.611 nan 8.270 nan 0.000 0.461 1367 T N 1.715 116.415 114.554 0.244 0.000 2.926 1367 T HA 0.161 4.321 4.350 -0.316 0.000 0.307 1367 T C 0.393 175.224 174.700 0.217 0.000 1.059 1367 T CA -0.479 61.776 62.100 0.258 0.000 1.122 1367 T CB 0.230 69.200 68.868 0.170 0.000 0.972 1367 T HN 0.354 nan 8.240 nan 0.000 0.545 1368 I N 5.445 126.104 120.570 0.149 0.000 2.312 1368 I HA 0.218 4.198 4.170 -0.316 0.000 0.291 1368 I C 1.360 177.519 176.117 0.070 0.000 1.031 1368 I CA -0.299 61.024 61.300 0.038 0.000 1.293 1368 I CB 0.461 38.347 38.000 -0.189 0.000 1.403 1368 I HN 0.791 nan 8.210 nan 0.000 0.484 1369 T N 2.671 117.272 114.554 0.078 0.000 2.881 1369 T HA 0.386 4.547 4.350 -0.316 0.000 0.278 1369 T C 1.400 176.170 174.700 0.117 0.000 0.982 1369 T CA -0.710 61.461 62.100 0.119 0.000 0.989 1369 T CB 1.761 70.693 68.868 0.107 0.000 1.058 1369 T HN 0.225 nan 8.240 nan 0.000 0.529 1370 V N 0.918 120.925 119.914 0.155 0.000 2.392 1370 V HA -0.144 3.786 4.120 -0.316 0.000 0.249 1370 V C 2.993 179.267 176.094 0.301 0.000 1.059 1370 V CA 2.161 64.575 62.300 0.190 0.000 1.051 1370 V CB -1.038 30.757 31.823 -0.047 0.000 0.658 1370 V HN 0.901 nan 8.190 nan 0.000 0.455 1371 R N 0.199 120.891 120.500 0.320 0.000 2.070 1371 R HA -0.187 3.963 4.340 -0.316 0.000 0.232 1371 R C 2.113 178.492 176.300 0.133 0.000 1.138 1371 R CA 2.126 58.381 56.100 0.258 0.000 0.936 1371 R CB -0.492 29.768 30.300 -0.067 0.000 0.839 1371 R HN 0.510 nan 8.270 nan 0.000 0.429 1372 D N -0.359 120.097 120.400 0.095 0.000 2.203 1372 D HA -0.159 4.292 4.640 -0.316 0.000 0.199 1372 D C 1.645 178.060 176.300 0.192 0.000 0.997 1372 D CA 1.774 55.858 54.000 0.139 0.000 0.863 1372 D CB -0.227 40.634 40.800 0.102 0.000 0.928 1372 D HN 0.355 nan 8.370 nan 0.000 0.458 1373 T N 0.314 114.941 114.554 0.123 0.000 2.896 1373 T HA -0.003 4.157 4.350 -0.316 0.000 0.263 1373 T C 1.609 176.510 174.700 0.336 0.000 1.050 1373 T CA 1.011 63.225 62.100 0.190 0.000 1.140 1373 T CB 0.109 69.051 68.868 0.124 0.000 0.877 1373 T HN 0.347 nan 8.240 nan 0.000 0.457 1374 M N -0.400 119.403 119.600 0.339 0.000 4.050 1374 M HA 0.390 4.680 4.480 -0.316 0.000 0.524 1374 M C 1.098 177.621 176.300 0.371 0.000 1.863 1374 M CA -0.270 55.238 55.300 0.348 0.000 0.644 1374 M CB 0.204 33.037 32.600 0.389 0.000 1.477 1374 M HN 0.053 nan 8.290 nan 0.000 0.570 1375 S N -0.247 115.602 115.700 0.248 0.000 2.489 1375 S HA -0.086 4.194 4.470 -0.316 0.000 0.228 1375 S C 1.132 175.779 174.600 0.078 0.000 0.995 1375 S CA 1.238 59.473 58.200 0.059 0.000 0.934 1375 S CB -0.418 62.688 63.200 -0.157 0.000 0.771 1375 S HN 0.703 nan 8.310 nan 0.000 0.522 1376 D N 1.130 121.605 120.400 0.125 0.000 2.350 1376 D HA 0.078 4.528 4.640 -0.316 0.000 0.213 1376 D C 0.528 176.902 176.300 0.124 0.000 1.031 1376 D CA -0.174 53.891 54.000 0.107 0.000 0.861 1376 D CB -0.423 40.436 40.800 0.098 0.000 0.926 1376 D HN 0.400 nan 8.370 nan 0.000 0.520 1377 L N 1.665 122.965 121.223 0.127 0.000 2.360 1377 L HA 0.274 4.424 4.340 -0.316 0.000 0.276 1377 L C -1.933 174.991 176.870 0.090 0.000 1.121 1377 L CA -1.667 53.183 54.840 0.017 0.000 0.845 1377 L CB 0.256 42.230 42.059 -0.142 0.000 1.143 1377 L HN -0.254 nan 8.230 nan 0.000 0.452 1378 P HA -0.040 nan 4.420 nan 0.000 0.269 1378 P C -0.422 176.990 177.300 0.186 0.000 1.217 1378 P CA -0.245 62.927 63.100 0.119 0.000 0.783 1378 P CB 0.468 32.225 31.700 0.095 0.000 0.898 1379 E N 2.123 122.381 120.200 0.096 0.000 2.344 1379 E HA 0.261 4.422 4.350 -0.316 0.000 0.270 1379 E C -0.322 176.275 176.600 -0.006 0.000 1.021 1379 E CA -0.386 56.032 56.400 0.030 0.000 0.887 1379 E CB 0.046 29.742 29.700 -0.007 0.000 0.997 1379 E HN 0.355 nan 8.360 nan 0.000 0.429 1380 I N -0.008 120.508 120.570 -0.089 0.000 3.108 1380 I HA 0.452 4.432 4.170 -0.316 0.000 0.312 1380 I C -0.700 175.338 176.117 -0.131 0.000 1.095 1380 I CA -1.253 59.964 61.300 -0.137 0.000 1.000 1380 I CB 2.018 39.846 38.000 -0.287 0.000 1.229 1380 I HN 0.376 nan 8.210 nan 0.000 0.454 1381 Q N 1.940 121.681 119.800 -0.098 0.000 2.297 1381 Q HA 0.297 4.447 4.340 -0.316 0.000 0.269 1381 Q C -0.639 175.330 176.000 -0.051 0.000 1.051 1381 Q CA -0.868 54.897 55.803 -0.063 0.000 0.869 1381 Q CB 1.471 30.188 28.738 -0.035 0.000 1.346 1381 Q HN 0.721 nan 8.270 nan 0.000 0.457 1382 N N 0.098 118.788 118.700 -0.016 0.000 2.359 1382 N HA -0.107 4.444 4.740 -0.316 0.000 0.261 1382 N C 0.616 176.122 175.510 -0.007 0.000 1.267 1382 N CA 1.630 54.680 53.050 0.001 0.000 0.864 1382 N CB 0.173 38.678 38.487 0.031 0.000 1.063 1382 N HN 0.835 nan 8.380 nan 0.000 0.474 1383 G N 1.855 110.649 108.800 -0.009 0.000 2.176 1383 G HA2 -0.260 3.511 3.960 -0.316 0.000 0.253 1383 G HA3 -0.260 3.511 3.960 -0.316 0.000 0.253 1383 G C 0.263 175.149 174.900 -0.024 0.000 0.979 1383 G CA 0.304 45.398 45.100 -0.009 0.000 0.641 1383 G HN 1.042 nan 8.290 nan 0.000 0.530 1384 A N 0.456 123.249 122.820 -0.045 0.000 2.584 1384 A HA 0.539 4.669 4.320 -0.316 0.000 0.239 1384 A C 1.439 178.991 177.584 -0.054 0.000 1.043 1384 A CA 1.765 53.765 52.037 -0.061 0.000 0.756 1384 A CB 0.176 19.113 19.000 -0.104 0.000 0.963 1384 A HN 1.872 nan 8.150 nan 0.000 0.511 1385 S N 1.042 116.716 115.700 -0.044 0.000 2.787 1385 S HA 0.096 4.376 4.470 -0.316 0.000 0.255 1385 S C 0.203 174.780 174.600 -0.038 0.000 1.051 1385 S CA -0.121 58.056 58.200 -0.037 0.000 1.124 1385 S CB -0.247 62.936 63.200 -0.028 0.000 1.104 1385 S HN 0.711 nan 8.310 nan 0.000 0.623 1386 N N 2.460 121.137 118.700 -0.038 0.000 2.402 1386 N HA 0.303 4.854 4.740 -0.316 0.000 0.259 1386 N C 0.482 175.973 175.510 -0.032 0.000 1.167 1386 N CA 0.093 53.123 53.050 -0.033 0.000 0.949 1386 N CB 0.568 39.038 38.487 -0.029 0.000 1.212 1386 N HN 0.210 nan 8.380 nan 0.000 0.493 1387 S N 2.223 117.902 115.700 -0.035 0.000 2.555 1387 S HA 0.013 4.294 4.470 -0.316 0.000 0.230 1387 S C -0.137 174.442 174.600 -0.034 0.000 0.978 1387 S CA 0.622 58.803 58.200 -0.032 0.000 0.934 1387 S CB -0.013 63.162 63.200 -0.041 0.000 0.766 1387 S HN 0.627 nan 8.310 nan 0.000 0.533 1388 E N 1.326 121.503 120.200 -0.038 0.000 2.279 1388 E HA 0.460 4.620 4.350 -0.316 0.000 0.252 1388 E C -0.698 175.873 176.600 -0.048 0.000 0.894 1388 E CA -0.269 56.102 56.400 -0.048 0.000 0.785 1388 E CB 1.544 31.219 29.700 -0.042 0.000 1.237 1388 E HN 0.363 nan 8.360 nan 0.000 0.418 1389 I N -0.633 119.895 120.570 -0.071 0.000 2.969 1389 I HA 0.698 4.678 4.170 -0.316 0.000 0.307 1389 I C -2.903 173.146 176.117 -0.114 0.000 1.149 1389 I CA -2.994 58.268 61.300 -0.064 0.000 1.008 1389 I CB 2.691 40.669 38.000 -0.036 0.000 1.232 1389 I HN 0.127 nan 8.210 nan 0.000 0.435 1390 P HA 0.252 nan 4.420 nan 0.000 0.284 1390 P C -1.364 175.896 177.300 -0.067 0.000 1.253 1390 P CA -0.021 63.048 63.100 -0.053 0.000 0.800 1390 P CB 0.468 32.178 31.700 0.016 0.000 0.961 1391 Y N 1.173 121.462 120.300 -0.019 0.000 2.620 1391 Y HA 0.014 4.374 4.550 -0.316 0.000 0.330 1391 Y C 1.647 177.542 175.900 -0.007 0.000 1.186 1391 Y CA 0.656 58.743 58.100 -0.020 0.000 1.467 1391 Y CB -0.318 38.120 38.460 -0.037 0.000 1.262 1391 Y HN 0.271 nan 8.280 nan 0.000 0.550 1392 N N 2.900 121.684 118.700 0.139 0.000 2.920 1392 N HA 0.355 4.906 4.740 -0.316 0.000 0.310 1392 N C -0.056 175.503 175.510 0.081 0.000 1.384 1392 N CA -0.057 53.048 53.050 0.091 0.000 1.083 1392 N CB 0.733 39.255 38.487 0.060 0.000 1.389 1392 N HN 0.915 nan 8.380 nan 0.000 0.521 1393 G N -0.525 108.329 108.800 0.089 0.000 2.322 1393 G HA2 0.164 3.934 3.960 -0.316 0.000 0.295 1393 G HA3 0.164 3.934 3.960 -0.316 0.000 0.295 1393 G C -1.527 173.372 174.900 -0.003 0.000 1.369 1393 G CA -0.602 44.523 45.100 0.042 0.000 0.821 1393 G HN -0.040 nan 8.290 nan 0.000 0.536 1394 E N -0.112 120.068 120.200 -0.033 0.000 2.232 1394 E HA 0.542 4.703 4.350 -0.316 0.000 0.265 1394 E C -2.394 174.158 176.600 -0.079 0.000 1.001 1394 E CA -1.835 54.519 56.400 -0.078 0.000 0.870 1394 E CB 0.793 30.453 29.700 -0.067 0.000 1.175 1394 E HN 0.169 nan 8.360 nan 0.000 0.407 1395 P HA 0.043 nan 4.420 nan 0.000 0.264 1395 P C 0.307 177.601 177.300 -0.010 0.000 1.183 1395 P CA 0.407 63.468 63.100 -0.065 0.000 0.763 1395 P CB 0.473 32.117 31.700 -0.093 0.000 0.807 1396 L N 0.520 121.780 121.223 0.062 0.000 2.425 1396 L HA 0.191 4.341 4.340 -0.316 0.000 0.215 1396 L C 1.562 178.649 176.870 0.362 0.000 1.065 1396 L CA 0.493 55.425 54.840 0.153 0.000 0.842 1396 L CB -0.559 41.612 42.059 0.186 0.000 1.033 1396 L HN 0.362 nan 8.230 nan 0.000 0.474 1397 S N -1.147 114.711 115.700 0.262 0.000 2.651 1397 S HA 0.136 4.416 4.470 -0.316 0.000 0.291 1397 S C 0.169 174.946 174.600 0.295 0.000 1.141 1397 S CA -0.662 57.725 58.200 0.312 0.000 1.027 1397 S CB 0.319 63.705 63.200 0.310 0.000 1.043 1397 S HN 0.296 nan 8.310 nan 0.000 0.530 1398 W N 2.108 123.518 121.300 0.184 0.000 2.338 1398 W HA -0.188 4.282 4.660 -0.317 0.000 0.304 1398 W C 1.452 178.055 176.519 0.140 0.000 1.212 1398 W CA 1.940 59.368 57.345 0.139 0.000 1.264 1398 W CB -0.366 29.173 29.460 0.130 0.000 1.142 1398 W HN 0.736 nan 8.180 nan 0.000 0.512 1399 F N 1.569 121.574 119.950 0.092 0.000 2.161 1399 F HA -0.244 4.091 4.527 -0.320 0.000 0.300 1399 F C 2.373 178.034 175.800 -0.232 0.000 1.089 1399 F CA 2.582 60.474 58.000 -0.180 0.000 1.282 1399 F CB -0.629 38.457 39.000 0.143 0.000 1.010 1399 F HN -0.014 nan 8.300 nan 0.000 0.485 1400 Q N -0.562 119.259 119.800 0.035 0.000 2.230 1400 Q HA -0.096 4.054 4.340 -0.316 0.000 0.202 1400 Q C 2.243 178.122 176.000 -0.202 0.000 0.963 1400 Q CA 0.979 56.748 55.803 -0.056 0.000 0.866 1400 Q CB -0.113 28.661 28.738 0.061 0.000 0.931 1400 Q HN 0.393 nan 8.270 nan 0.000 0.452 1401 R N -0.034 120.322 120.500 -0.240 0.000 2.090 1401 R HA -0.085 4.066 4.340 -0.316 0.000 0.228 1401 R C 2.171 178.243 176.300 -0.380 0.000 1.110 1401 R CA 0.881 56.821 56.100 -0.267 0.000 0.973 1401 R CB 0.098 30.279 30.300 -0.198 0.000 0.869 1401 R HN 0.242 nan 8.270 nan 0.000 0.440 1402 Q N 0.424 119.857 119.800 -0.611 0.000 2.050 1402 Q HA -0.133 4.018 4.340 -0.316 0.000 0.202 1402 Q C 2.065 177.788 176.000 -0.462 0.000 0.980 1402 Q CA 1.307 56.736 55.803 -0.625 0.000 0.840 1402 Q CB -0.240 27.917 28.738 -0.967 0.000 0.898 1402 Q HN 0.198 nan 8.270 nan 0.000 0.424 1403 L N 0.127 121.049 121.223 -0.502 0.000 2.240 1403 L HA -0.030 4.121 4.340 -0.316 0.000 0.211 1403 L C 2.196 178.939 176.870 -0.211 0.000 1.106 1403 L CA 1.395 56.019 54.840 -0.361 0.000 0.793 1403 L CB -0.267 41.544 42.059 -0.413 0.000 0.927 1403 L HN 0.093 nan 8.230 nan 0.000 0.446 1404 R N -0.966 119.399 120.500 -0.224 0.000 2.210 1404 R HA 0.340 4.490 4.340 -0.316 0.000 0.203 1404 R C 0.752 176.932 176.300 -0.201 0.000 1.010 1404 R CA 0.551 56.525 56.100 -0.209 0.000 1.008 1404 R CB 0.068 30.182 30.300 -0.310 0.000 0.923 1404 R HN 0.363 nan 8.270 nan 0.000 0.469 1405 G N -0.838 107.840 108.800 -0.202 0.000 2.756 1405 G HA2 -0.212 3.558 3.960 -0.316 0.000 0.678 1405 G HA3 -0.212 3.558 3.960 -0.316 0.000 0.678 1405 G C 0.388 175.199 174.900 -0.149 0.000 1.349 1405 G CA -0.258 44.743 45.100 -0.165 0.000 0.847 1405 G HN 0.276 nan 8.290 nan 0.000 0.548 1406 S N -0.836 114.797 115.700 -0.112 0.000 2.439 1406 S HA 0.534 4.814 4.470 -0.316 0.000 0.224 1406 S C 1.581 176.147 174.600 -0.057 0.000 1.029 1406 S CA 1.958 60.108 58.200 -0.083 0.000 0.946 1406 S CB -0.665 62.496 63.200 -0.064 0.000 0.797 1406 S HN 2.554 nan 8.310 nan 0.000 0.504 1407 H N -0.370 118.669 119.070 -0.051 0.000 3.058 1407 H HA 0.317 4.684 4.556 -0.316 0.000 0.347 1407 H C -0.042 175.287 175.328 0.001 0.000 1.087 1407 H CA 0.407 56.448 56.048 -0.012 0.000 1.375 1407 H CB -0.680 29.069 29.762 -0.021 0.000 1.312 1407 H HN 0.626 nan 8.280 nan 0.000 0.607 1408 Y N 2.581 122.852 120.300 -0.049 0.000 2.569 1408 Y HA 0.377 4.739 4.550 -0.314 0.000 0.332 1408 Y C 0.164 176.045 175.900 -0.031 0.000 1.120 1408 Y CA 0.038 58.113 58.100 -0.041 0.000 1.416 1408 Y CB 0.644 39.087 38.460 -0.029 0.000 1.210 1408 Y HN 0.801 nan 8.280 nan 0.000 0.528 1409 Q N 9.162 128.534 119.800 -0.714 0.000 2.567 1409 Q HA 0.215 4.365 4.340 -0.316 0.000 0.233 1409 Q C -2.493 173.272 176.000 -0.391 0.000 0.833 1409 Q CA -1.444 53.985 55.803 -0.623 0.000 0.844 1409 Q CB 2.101 30.678 28.738 -0.269 0.000 1.423 1409 Q HN 0.651 nan 8.270 nan 0.000 0.442 1410 P HA 0.237 nan 4.420 nan 0.000 0.252 1410 P C 0.384 177.751 177.300 0.112 0.000 1.218 1410 P CA 0.249 63.326 63.100 -0.040 0.000 0.807 1410 P CB 0.912 32.598 31.700 -0.023 0.000 1.072 1411 I N 1.452 122.039 120.570 0.028 0.000 2.315 1411 I HA 0.197 4.177 4.170 -0.316 0.000 0.291 1411 I C 0.012 176.017 176.117 -0.186 0.000 1.006 1411 I CA -1.187 60.077 61.300 -0.061 0.000 1.265 1411 I CB 1.502 39.467 38.000 -0.059 0.000 1.387 1411 I HN -0.182 nan 8.210 nan 0.000 0.475 1412 L N 8.311 129.225 121.223 -0.514 0.000 2.261 1412 L HA 0.392 4.542 4.340 -0.316 0.000 0.289 1412 L C -0.086 176.629 176.870 -0.257 0.000 1.059 1412 L CA 0.121 54.546 54.840 -0.691 0.000 0.816 1412 L CB 0.206 41.653 42.059 -1.019 0.000 1.191 1412 L HN 0.487 nan 8.230 nan 0.000 0.431 1413 R N 4.442 124.863 120.500 -0.131 0.000 2.428 1413 R HA 0.367 4.517 4.340 -0.316 0.000 0.294 1413 R C -0.319 175.996 176.300 0.025 0.000 1.000 1413 R CA -0.489 55.586 56.100 -0.040 0.000 0.960 1413 R CB 0.730 31.016 30.300 -0.023 0.000 1.076 1413 R HN 0.750 nan 8.270 nan 0.000 0.475 1414 D N 0.702 121.121 120.400 0.032 0.000 2.945 1414 D HA -0.185 4.266 4.640 -0.316 0.000 0.225 1414 D C -0.387 175.964 176.300 0.084 0.000 1.158 1414 D CA 0.923 54.950 54.000 0.046 0.000 0.805 1414 D CB -0.992 39.864 40.800 0.093 0.000 1.098 1414 D HN 0.604 nan 8.370 nan 0.000 0.426 1415 H N 0.775 119.821 119.070 -0.040 0.000 2.799 1415 H HA 0.429 4.794 4.556 -0.318 0.000 0.225 1415 H C 0.324 175.639 175.328 -0.022 0.000 1.904 1415 H CA -0.093 55.940 56.048 -0.026 0.000 1.344 1415 H CB -0.612 29.123 29.762 -0.044 0.000 1.744 1415 H HN 0.417 nan 8.280 nan 0.000 0.542 1416 I N -0.691 119.836 120.570 -0.072 0.000 2.828 1416 I HA 0.564 4.544 4.170 -0.316 0.000 0.302 1416 I C -0.685 175.398 176.117 -0.056 0.000 1.101 1416 I CA -1.227 60.014 61.300 -0.098 0.000 1.031 1416 I CB 2.047 40.014 38.000 -0.055 0.000 1.231 1416 I HN 0.350 nan 8.210 nan 0.000 0.427 1417 C N 1.754 121.033 119.300 -0.035 0.000 2.994 1417 C HA 0.631 4.901 4.460 -0.316 0.000 0.304 1417 C C -0.151 174.870 174.990 0.052 0.000 1.273 1417 C CA -1.041 58.004 59.018 0.044 0.000 1.537 1417 C CB 1.609 29.355 27.740 0.009 0.000 2.001 1417 C HN 0.963 nan 8.230 nan 0.000 0.471 1418 K N 0.992 121.440 120.400 0.081 0.000 2.414 1418 K HA 0.231 4.361 4.320 -0.316 0.000 0.272 1418 K C -0.344 176.267 176.600 0.018 0.000 0.993 1418 K CA 0.350 56.663 56.287 0.043 0.000 0.964 1418 K CB 0.335 32.840 32.500 0.008 0.000 0.925 1418 K HN 0.741 nan 8.250 nan 0.000 0.487 1419 D N 3.291 123.700 120.400 0.014 0.000 2.456 1419 D HA 0.072 4.522 4.640 -0.316 0.000 0.219 1419 D C -0.313 175.995 176.300 0.013 0.000 1.126 1419 D CA -0.347 53.660 54.000 0.012 0.000 0.890 1419 D CB 0.347 41.152 40.800 0.009 0.000 1.025 1419 D HN 0.240 nan 8.370 nan 0.000 0.511 1420 M N 1.407 121.018 119.600 0.018 0.000 2.240 1420 M HA 0.093 4.383 4.480 -0.316 0.000 0.333 1420 M C 1.158 177.477 176.300 0.031 0.000 1.110 1420 M CA -0.363 54.951 55.300 0.023 0.000 1.173 1420 M CB 0.605 33.226 32.600 0.036 0.000 1.458 1420 M HN 0.383 nan 8.290 nan 0.000 0.458 1421 S N 2.163 117.883 115.700 0.034 0.000 2.569 1421 S HA 0.111 4.391 4.470 -0.316 0.000 0.274 1421 S C -1.894 172.731 174.600 0.042 0.000 1.353 1421 S CA -0.832 57.388 58.200 0.034 0.000 1.023 1421 S CB -0.044 63.177 63.200 0.036 0.000 0.876 1421 S HN 0.459 nan 8.310 nan 0.000 0.540 1422 P HA -0.130 nan 4.420 nan 0.000 0.216 1422 P C 1.675 179.001 177.300 0.043 0.000 1.153 1422 P CA 0.654 63.774 63.100 0.035 0.000 0.858 1422 P CB -0.076 31.638 31.700 0.023 0.000 0.789 1423 L N -0.481 120.768 121.223 0.043 0.000 1.989 1423 L HA -0.146 4.004 4.340 -0.316 0.000 0.211 1423 L C 2.191 179.103 176.870 0.070 0.000 1.071 1423 L CA 1.986 56.854 54.840 0.046 0.000 0.749 1423 L CB -1.226 40.862 42.059 0.049 0.000 0.890 1423 L HN -0.186 nan 8.230 nan 0.000 0.431 1424 V N 0.086 120.060 119.914 0.100 0.000 2.515 1424 V HA -0.238 3.692 4.120 -0.316 0.000 0.250 1424 V C 2.785 178.972 176.094 0.155 0.000 1.058 1424 V CA 1.399 63.802 62.300 0.171 0.000 1.064 1424 V CB -1.327 30.592 31.823 0.160 0.000 0.675 1424 V HN 0.619 nan 8.190 nan 0.000 0.461 1425 A N 0.133 123.013 122.820 0.101 0.000 1.933 1425 A HA -0.129 4.001 4.320 -0.316 0.000 0.218 1425 A C 2.425 180.060 177.584 0.086 0.000 1.175 1425 A CA 2.114 54.203 52.037 0.087 0.000 0.628 1425 A CB -0.673 18.364 19.000 0.062 0.000 0.814 1425 A HN 0.559 nan 8.150 nan 0.000 0.444 1426 A N -0.242 122.631 122.820 0.089 0.000 1.873 1426 A HA -0.120 4.010 4.320 -0.316 0.000 0.215 1426 A C 2.217 179.908 177.584 0.179 0.000 1.186 1426 A CA 1.420 53.532 52.037 0.126 0.000 0.616 1426 A CB -0.469 18.586 19.000 0.091 0.000 0.823 1426 A HN 0.532 nan 8.150 nan 0.000 0.442 1427 R N -0.942 119.614 120.500 0.094 0.000 2.103 1427 R HA -0.135 4.015 4.340 -0.316 0.000 0.242 1427 R C 2.290 178.653 176.300 0.106 0.000 1.142 1427 R CA 1.911 58.028 56.100 0.028 0.000 0.960 1427 R CB -0.432 29.759 30.300 -0.181 0.000 0.858 1427 R HN 0.558 nan 8.270 nan 0.000 0.439 1428 M N -0.384 119.308 119.600 0.153 0.000 2.086 1428 M HA -0.155 4.135 4.480 -0.316 0.000 0.261 1428 M C 2.253 178.527 176.300 -0.043 0.000 1.067 1428 M CA 1.633 57.018 55.300 0.143 0.000 1.116 1428 M CB -0.272 32.429 32.600 0.167 0.000 1.348 1428 M HN 0.021 nan 8.290 nan 0.000 0.407 1429 R N -0.595 119.782 120.500 -0.206 0.000 2.170 1429 R HA -0.152 3.999 4.340 -0.316 0.000 0.242 1429 R C 1.537 177.479 176.300 -0.596 0.000 1.145 1429 R CA 1.051 56.723 56.100 -0.712 0.000 0.984 1429 R CB -0.280 29.719 30.300 -0.501 0.000 0.869 1429 R HN 0.510 nan 8.270 nan 0.000 0.455 1430 H N -1.334 117.643 119.070 -0.155 0.000 2.586 1430 H HA 0.130 4.495 4.556 -0.318 0.000 0.273 1430 H C -0.253 175.084 175.328 0.015 0.000 0.997 1430 H CA -0.138 55.879 56.048 -0.052 0.000 1.177 1430 H CB 0.461 30.214 29.762 -0.015 0.000 1.471 1430 H HN -0.002 nan 8.280 nan 0.000 0.538 1431 I N 3.536 124.160 120.570 0.091 0.000 2.337 1431 I HA 0.116 4.096 4.170 -0.316 0.000 0.291 1431 I C -1.934 174.233 176.117 0.083 0.000 1.046 1431 I CA -1.986 59.380 61.300 0.111 0.000 1.324 1431 I CB 1.044 39.124 38.000 0.134 0.000 1.409 1431 I HN -0.080 nan 8.210 nan 0.000 0.494 1432 P HA 0.102 nan 4.420 nan 0.000 0.271 1432 P C 0.603 177.892 177.300 -0.017 0.000 1.233 1432 P CA -0.184 62.950 63.100 0.058 0.000 0.789 1432 P CB 0.537 32.372 31.700 0.226 0.000 0.951 1433 L N -0.704 120.392 121.223 -0.210 0.000 2.591 1433 L HA 0.149 4.299 4.340 -0.316 0.000 0.228 1433 L C 0.414 177.166 176.870 -0.198 0.000 1.133 1433 L CA 0.020 54.750 54.840 -0.183 0.000 0.880 1433 L CB -0.620 41.338 42.059 -0.169 0.000 1.033 1433 L HN 0.272 nan 8.230 nan 0.000 0.450 1434 F N 1.539 121.499 119.950 0.016 0.000 2.572 1434 F HA 0.151 4.488 4.527 -0.317 0.000 0.370 1434 F C -1.621 174.165 175.800 -0.022 0.000 1.103 1434 F CA -2.426 55.576 58.000 0.003 0.000 1.286 1434 F CB -0.707 38.288 39.000 -0.008 0.000 1.105 1434 F HN -0.203 nan 8.300 nan 0.000 0.583 1435 P HA 0.102 nan 4.420 nan 0.000 0.262 1435 P C 0.752 178.063 177.300 0.018 0.000 1.182 1435 P CA 1.252 64.373 63.100 0.035 0.000 0.761 1435 P CB 0.430 32.151 31.700 0.035 0.000 0.795 1436 G N 1.699 110.477 108.800 -0.037 0.000 2.194 1436 G HA2 -0.233 3.538 3.960 -0.316 0.000 0.236 1436 G HA3 -0.233 3.538 3.960 -0.316 0.000 0.236 1436 G C 0.352 175.236 174.900 -0.027 0.000 0.987 1436 G CA -0.113 44.959 45.100 -0.047 0.000 0.635 1436 G HN 0.570 nan 8.290 nan 0.000 0.520 1437 S N 1.989 117.695 115.700 0.010 0.000 2.549 1437 S HA 0.481 4.761 4.470 -0.316 0.000 0.286 1437 S C 0.445 175.063 174.600 0.030 0.000 1.314 1437 S CA 0.838 59.056 58.200 0.031 0.000 1.062 1437 S CB 1.138 64.389 63.200 0.085 0.000 0.865 1437 S HN 0.852 nan 8.310 nan 0.000 0.498 1438 D N 1.094 121.508 120.400 0.024 0.000 3.344 1438 D HA 0.148 4.599 4.640 -0.316 0.000 0.308 1438 D C 1.141 177.507 176.300 0.109 0.000 1.356 1438 D CA -0.785 53.280 54.000 0.109 0.000 0.998 1438 D CB -0.578 40.310 40.800 0.147 0.000 1.370 1438 D HN 0.594 nan 8.370 nan 0.000 0.610 1439 W N 0.666 122.026 121.300 0.100 0.000 2.421 1439 W HA -0.005 4.465 4.660 -0.316 0.000 0.270 1439 W C 0.931 177.467 176.519 0.029 0.000 1.233 1439 W CA 0.484 57.857 57.345 0.047 0.000 1.226 1439 W CB -0.677 28.819 29.460 0.058 0.000 1.121 1439 W HN 0.180 nan 8.180 nan 0.000 0.579 1440 R N 0.702 120.662 120.500 -0.899 0.000 2.316 1440 R HA -0.046 4.104 4.340 -0.316 0.000 0.202 1440 R C 1.163 177.256 176.300 -0.346 0.000 1.029 1440 R CA 1.071 56.593 56.100 -0.962 0.000 1.018 1440 R CB -0.226 29.423 30.300 -1.085 0.000 0.888 1440 R HN 0.092 nan 8.270 nan 0.000 0.471 1441 D N 0.402 120.717 120.400 -0.141 0.000 2.354 1441 D HA 0.046 4.496 4.640 -0.316 0.000 0.209 1441 D C 0.390 176.808 176.300 0.196 0.000 1.015 1441 D CA 0.194 54.216 54.000 0.036 0.000 0.867 1441 D CB 0.346 41.173 40.800 0.045 0.000 0.933 1441 D HN 0.133 nan 8.370 nan 0.000 0.520 1442 L N 3.188 124.501 121.223 0.151 0.000 2.525 1442 L HA 0.063 4.213 4.340 -0.316 0.000 0.278 1442 L C -1.960 175.035 176.870 0.208 0.000 1.218 1442 L CA -0.967 53.978 54.840 0.175 0.000 0.878 1442 L CB 0.236 42.359 42.059 0.107 0.000 1.127 1442 L HN -0.166 nan 8.230 nan 0.000 0.492 1443 P HA 0.077 nan 4.420 nan 0.000 0.284 1443 P C -1.011 176.191 177.300 -0.163 0.000 1.253 1443 P CA -0.600 62.364 63.100 -0.226 0.000 0.800 1443 P CB 0.879 32.403 31.700 -0.294 0.000 0.961 1444 N N 2.924 121.528 118.700 -0.160 0.000 2.968 1444 N HA 0.200 4.750 4.740 -0.316 0.000 0.271 1444 N C -0.335 175.126 175.510 -0.082 0.000 1.174 1444 N CA -0.344 52.677 53.050 -0.048 0.000 1.096 1444 N CB -1.158 37.360 38.487 0.053 0.000 1.403 1444 N HN 0.341 nan 8.380 nan 0.000 0.522 1445 I N -2.225 118.274 120.570 -0.118 0.000 2.892 1445 I HA 0.491 4.471 4.170 -0.316 0.000 0.306 1445 I C -0.154 175.902 176.117 -0.101 0.000 1.078 1445 I CA -1.236 59.994 61.300 -0.116 0.000 1.032 1445 I CB 1.864 39.770 38.000 -0.157 0.000 1.229 1445 I HN 0.021 nan 8.210 nan 0.000 0.435 1446 Q N 2.479 122.233 119.800 -0.076 0.000 2.288 1446 Q HA 0.570 4.720 4.340 -0.316 0.000 0.254 1446 Q C -1.534 174.407 176.000 -0.098 0.000 0.932 1446 Q CA -0.529 55.222 55.803 -0.086 0.000 0.902 1446 Q CB 1.628 30.326 28.738 -0.068 0.000 1.203 1446 Q HN 0.668 nan 8.270 nan 0.000 0.415 1447 V N 2.349 122.196 119.914 -0.111 0.000 2.709 1447 V HA 0.585 4.515 4.120 -0.316 0.000 0.308 1447 V C -0.058 175.991 176.094 -0.076 0.000 1.062 1447 V CA -0.799 61.456 62.300 -0.075 0.000 0.901 1447 V CB 1.541 33.327 31.823 -0.062 0.000 1.003 1447 V HN 0.890 nan 8.190 nan 0.000 0.425 1448 R N 4.304 124.777 120.500 -0.046 0.000 2.248 1448 R HA 0.677 4.828 4.340 -0.316 0.000 0.328 1448 R C -0.481 175.807 176.300 -0.021 0.000 1.067 1448 R CA -0.121 55.954 56.100 -0.042 0.000 0.924 1448 R CB -0.209 30.075 30.300 -0.026 0.000 1.013 1448 R HN 0.727 nan 8.270 nan 0.000 0.454 1449 L N 1.299 122.507 121.223 -0.025 0.000 2.469 1449 L HA 0.482 4.632 4.340 -0.316 0.000 0.253 1449 L C 1.959 178.830 176.870 0.001 0.000 1.143 1449 L CA -0.359 54.477 54.840 -0.006 0.000 0.804 1449 L CB 1.273 43.327 42.059 -0.008 0.000 1.214 1449 L HN 0.808 nan 8.230 nan 0.000 0.476 1450 G N -1.243 107.563 108.800 0.010 0.000 3.155 1450 G HA2 0.109 3.879 3.960 -0.316 0.000 0.213 1450 G HA3 0.109 3.879 3.960 -0.316 0.000 0.213 1450 G C 0.402 175.306 174.900 0.007 0.000 1.196 1450 G CA 0.732 45.838 45.100 0.010 0.000 0.846 1450 G HN 0.890 nan 8.290 nan 0.000 0.516 1451 D N -1.768 118.634 120.400 0.003 0.000 2.480 1451 D HA 0.391 4.841 4.640 -0.316 0.000 0.243 1451 D C 1.611 177.910 176.300 -0.002 0.000 1.120 1451 D CA 0.716 54.717 54.000 0.001 0.000 0.835 1451 D CB -0.382 40.419 40.800 0.003 0.000 1.204 1451 D HN 0.930 nan 8.370 nan 0.000 0.513 1452 G N -1.560 107.236 108.800 -0.006 0.000 2.201 1452 G HA2 0.279 4.049 3.960 -0.316 0.000 0.212 1452 G HA3 0.279 4.049 3.960 -0.316 0.000 0.212 1452 G C 1.037 175.928 174.900 -0.016 0.000 0.994 1452 G CA 0.555 45.649 45.100 -0.010 0.000 0.644 1452 G HN 1.581 nan 8.290 nan 0.000 0.508 1453 V N 0.805 120.710 119.914 -0.016 0.000 3.751 1453 V HA 0.755 4.685 4.120 -0.316 0.000 0.274 1453 V C 0.714 176.771 176.094 -0.061 0.000 0.960 1453 V CA 0.014 62.300 62.300 -0.022 0.000 0.960 1453 V CB 0.361 32.181 31.823 -0.006 0.000 1.244 1453 V HN 0.340 nan 8.190 nan 0.000 0.417 1454 I N 0.513 121.022 120.570 -0.103 0.000 2.571 1454 I HA 0.526 4.506 4.170 -0.316 0.000 0.289 1454 I C 0.143 176.101 176.117 -0.264 0.000 1.115 1454 I CA -0.854 60.300 61.300 -0.243 0.000 1.045 1454 I CB 0.997 38.726 38.000 -0.452 0.000 1.238 1454 I HN 0.780 nan 8.210 nan 0.000 0.424 1455 A N 6.763 129.475 122.820 -0.181 0.000 2.395 1455 A HA 0.372 4.502 4.320 -0.316 0.000 0.286 1455 A C 0.111 177.594 177.584 -0.168 0.000 1.193 1455 A CA -0.108 51.863 52.037 -0.110 0.000 0.852 1455 A CB -0.269 18.688 19.000 -0.072 0.000 1.118 1455 A HN 0.694 nan 8.150 nan 0.000 0.524 1456 H N 1.598 120.662 119.070 -0.009 0.000 2.505 1456 H HA 0.227 4.593 4.556 -0.317 0.000 0.358 1456 H C -0.069 175.252 175.328 -0.012 0.000 1.304 1456 H CA -0.150 55.893 56.048 -0.009 0.000 1.393 1456 H CB 0.779 30.542 29.762 0.001 0.000 1.591 1456 H HN 0.577 nan 8.280 nan 0.000 0.595 1457 K N 1.283 121.766 120.400 0.140 0.000 2.249 1457 K HA 0.115 4.245 4.320 -0.316 0.000 0.280 1457 K C -0.217 176.431 176.600 0.080 0.000 1.033 1457 K CA -0.618 55.719 56.287 0.083 0.000 0.946 1457 K CB 0.951 33.493 32.500 0.070 0.000 1.005 1457 K HN 0.130 nan 8.250 nan 0.000 0.469 1458 L N 3.227 124.490 121.223 0.068 0.000 2.416 1458 L HA 0.028 4.178 4.340 -0.316 0.000 0.272 1458 L C -0.452 176.401 176.870 -0.028 0.000 1.161 1458 L CA 0.639 55.481 54.840 0.004 0.000 0.845 1458 L CB 0.645 42.695 42.059 -0.016 0.000 1.119 1458 L HN 0.517 nan 8.230 nan 0.000 0.464 1459 Q N 4.207 123.948 119.800 -0.098 0.000 2.312 1459 Q HA 0.388 4.539 4.340 -0.316 0.000 0.263 1459 Q C -1.694 174.214 176.000 -0.152 0.000 0.995 1459 Q CA -0.485 55.301 55.803 -0.029 0.000 0.853 1459 Q CB 1.791 30.534 28.738 0.008 0.000 1.300 1459 Q HN 0.493 nan 8.270 nan 0.000 0.448 1460 Y N 0.727 121.076 120.300 0.081 0.000 2.356 1460 Y HA 0.257 4.617 4.550 -0.317 0.000 0.334 1460 Y C 0.717 176.624 175.900 0.012 0.000 0.958 1460 Y CA -0.578 57.576 58.100 0.090 0.000 1.196 1460 Y CB 1.612 40.112 38.460 0.066 0.000 1.137 1460 Y HN 0.694 nan 8.280 nan 0.000 0.485 1461 T N -1.158 113.453 114.554 0.095 0.000 3.275 1461 T HA 0.435 4.595 4.350 -0.316 0.000 0.298 1461 T C -0.507 173.876 174.700 -0.529 0.000 0.988 1461 T CA -0.129 61.846 62.100 -0.210 0.000 0.936 1461 T CB -0.567 68.114 68.868 -0.313 0.000 1.159 1461 T HN 0.181 nan 8.240 nan 0.000 0.519 1462 F N 0.871 120.840 119.950 0.031 0.000 2.576 1462 F HA 0.562 4.899 4.527 -0.316 0.000 0.313 1462 F C 0.055 175.830 175.800 -0.042 0.000 1.078 1462 F CA -1.393 56.628 58.000 0.035 0.000 0.921 1462 F CB 1.349 40.406 39.000 0.094 0.000 1.232 1462 F HN 0.039 nan 8.300 nan 0.000 0.459 1463 H N 0.625 119.790 119.070 0.159 0.000 2.722 1463 H HA 0.117 4.483 4.556 -0.316 0.000 0.328 1463 H C -0.466 174.896 175.328 0.057 0.000 1.067 1463 H CA 0.025 56.072 56.048 -0.002 0.000 1.447 1463 H CB 0.598 30.317 29.762 -0.072 0.000 1.469 1463 H HN 0.351 nan 8.280 nan 0.000 0.544 1464 D N 3.836 124.303 120.400 0.112 0.000 2.393 1464 D HA 0.014 4.464 4.640 -0.316 0.000 0.232 1464 D C 0.854 177.200 176.300 0.077 0.000 1.192 1464 D CA -0.036 54.033 54.000 0.115 0.000 0.882 1464 D CB 0.918 41.795 40.800 0.129 0.000 1.038 1464 D HN 0.336 nan 8.370 nan 0.000 0.499 1465 V N 4.703 124.666 119.914 0.082 0.000 2.568 1465 V HA -0.218 3.712 4.120 -0.316 0.000 0.253 1465 V C 2.439 178.562 176.094 0.048 0.000 1.072 1465 V CA 1.607 63.935 62.300 0.047 0.000 1.084 1465 V CB -0.343 31.504 31.823 0.040 0.000 0.676 1465 V HN 0.527 nan 8.190 nan 0.000 0.469 1466 K N -0.123 120.320 120.400 0.071 0.000 2.137 1466 K HA -0.057 4.074 4.320 -0.316 0.000 0.202 1466 K C 1.671 178.340 176.600 0.115 0.000 1.052 1466 K CA 1.124 57.462 56.287 0.084 0.000 0.961 1466 K CB 0.067 32.625 32.500 0.097 0.000 0.741 1466 K HN 0.430 nan 8.250 nan 0.000 0.452 1467 N N -0.154 118.624 118.700 0.130 0.000 2.322 1467 N HA 0.104 4.654 4.740 -0.316 0.000 0.181 1467 N C 0.490 176.009 175.510 0.015 0.000 1.088 1467 N CA 0.855 53.994 53.050 0.148 0.000 0.885 1467 N CB 0.933 39.556 38.487 0.227 0.000 1.013 1467 N HN 0.353 nan 8.380 nan 0.000 0.472 1468 G N 0.303 109.091 108.800 -0.019 0.000 2.698 1468 G HA2 -0.283 3.487 3.960 -0.316 0.000 0.233 1468 G HA3 -0.283 3.487 3.960 -0.316 0.000 0.233 1468 G C -0.812 173.992 174.900 -0.159 0.000 1.352 1468 G CA -0.486 44.580 45.100 -0.057 0.000 0.879 1468 G HN 0.186 nan 8.290 nan 0.000 0.567 1469 Y N 0.969 121.258 120.300 -0.019 0.000 2.326 1469 Y HA 0.534 4.895 4.550 -0.316 0.000 0.324 1469 Y C 1.488 177.310 175.900 -0.131 0.000 1.291 1469 Y CA 0.194 58.255 58.100 -0.064 0.000 1.348 1469 Y CB 1.242 39.689 38.460 -0.021 0.000 1.294 1469 Y HN 0.937 nan 8.280 nan 0.000 0.525 1470 S N -0.703 115.004 115.700 0.012 0.000 2.713 1470 S HA 0.158 4.438 4.470 -0.316 0.000 0.277 1470 S C 1.101 175.694 174.600 -0.011 0.000 1.168 1470 S CA -0.177 57.978 58.200 -0.075 0.000 0.994 1470 S CB 0.970 64.090 63.200 -0.134 0.000 1.054 1470 S HN 0.726 nan 8.310 nan 0.000 0.555 1471 S N -0.296 115.392 115.700 -0.021 0.000 2.447 1471 S HA -0.092 4.189 4.470 -0.316 0.000 0.233 1471 S C 1.490 176.081 174.600 -0.015 0.000 1.006 1471 S CA 1.060 59.255 58.200 -0.009 0.000 0.957 1471 S CB -1.431 61.767 63.200 -0.003 0.000 0.773 1471 S HN 1.031 nan 8.310 nan 0.000 0.507 1472 T N -2.538 112.004 114.554 -0.019 0.000 3.188 1472 T HA 0.514 4.674 4.350 -0.316 0.000 0.250 1472 T C 1.419 176.108 174.700 -0.018 0.000 1.077 1472 T CA 0.308 62.395 62.100 -0.020 0.000 0.967 1472 T CB -0.328 68.526 68.868 -0.024 0.000 1.006 1472 T HN 1.059 nan 8.240 nan 0.000 0.552 1473 G N 0.972 109.766 108.800 -0.010 0.000 2.153 1473 G HA2 -0.067 3.703 3.960 -0.316 0.000 0.252 1473 G HA3 -0.067 3.703 3.960 -0.316 0.000 0.252 1473 G C 0.284 175.226 174.900 0.070 0.000 0.994 1473 G CA -0.088 45.007 45.100 -0.008 0.000 0.698 1473 G HN 1.191 nan 8.290 nan 0.000 0.521 1474 A N -0.544 122.304 122.820 0.047 0.000 2.304 1474 A HA 0.803 4.933 4.320 -0.316 0.000 0.271 1474 A C 0.472 178.072 177.584 0.026 0.000 1.091 1474 A CA -0.361 51.684 52.037 0.013 0.000 0.812 1474 A CB 0.615 19.557 19.000 -0.096 0.000 1.056 1474 A HN 0.685 nan 8.150 nan 0.000 0.489 1475 L N 0.407 121.608 121.223 -0.036 0.000 2.456 1475 L HA 0.441 4.591 4.340 -0.316 0.000 0.257 1475 L C 1.503 178.300 176.870 -0.122 0.000 1.162 1475 L CA 0.661 55.415 54.840 -0.144 0.000 0.808 1475 L CB 0.368 42.324 42.059 -0.171 0.000 1.136 1475 L HN 0.870 nan 8.230 nan 0.000 0.466 1476 R N -0.412 120.057 120.500 -0.051 0.000 2.531 1476 R HA 0.287 4.438 4.340 -0.316 0.000 0.316 1476 R C 0.214 176.729 176.300 0.359 0.000 0.955 1476 R CA -0.107 56.026 56.100 0.055 0.000 1.120 1476 R CB 0.905 31.148 30.300 -0.094 0.000 1.361 1476 R HN 0.783 nan 8.270 nan 0.000 0.534 1477 G N 0.235 109.235 108.800 0.334 0.000 2.367 1477 G HA2 0.358 4.128 3.960 -0.316 0.000 0.314 1477 G HA3 0.358 4.128 3.960 -0.316 0.000 0.314 1477 G C 0.564 175.695 174.900 0.386 0.000 1.130 1477 G CA -0.432 44.871 45.100 0.339 0.000 0.864 1477 G HN 0.053 nan 8.290 nan 0.000 0.486 1478 V N -1.589 118.464 119.914 0.232 0.000 3.427 1478 V HA 0.444 4.374 4.120 -0.316 0.000 0.305 1478 V C 0.457 176.687 176.094 0.226 0.000 1.412 1478 V CA -0.482 61.949 62.300 0.217 0.000 1.086 1478 V CB -0.810 31.012 31.823 -0.001 0.000 0.964 1478 V HN 0.766 nan 8.190 nan 0.000 0.439 1479 C N -0.061 119.170 119.300 -0.115 0.000 3.311 1479 C HA 0.596 4.866 4.460 -0.316 0.000 0.325 1479 C C 1.971 176.296 174.990 -1.108 0.000 1.352 1479 C CA 0.512 59.180 59.018 -0.582 0.000 1.308 1479 C CB 1.556 29.247 27.740 -0.082 0.000 1.619 1479 C HN 0.580 nan 8.230 nan 0.000 0.469 1480 S N 0.760 115.739 115.700 -1.202 0.000 2.442 1480 S HA -0.169 4.112 4.470 -0.316 0.000 0.236 1480 S C 1.629 176.126 174.600 -0.172 0.000 1.007 1480 S CA 1.657 59.498 58.200 -0.599 0.000 0.965 1480 S CB -1.099 61.966 63.200 -0.224 0.000 0.773 1480 S HN 1.344 nan 8.310 nan 0.000 0.504 1481 C N 1.152 120.379 119.300 -0.120 0.000 2.437 1481 C HA 0.534 4.804 4.460 -0.316 0.000 0.283 1481 C C 2.652 177.644 174.990 0.003 0.000 1.424 1481 C CA -0.283 58.724 59.018 -0.019 0.000 1.782 1481 C CB -1.849 25.901 27.740 0.017 0.000 1.833 1481 C HN 0.610 nan 8.230 nan 0.000 0.532 1482 A N 0.902 123.724 122.820 0.004 0.000 2.168 1482 A HA 0.007 4.138 4.320 -0.316 0.000 0.215 1482 A C 1.955 179.596 177.584 0.095 0.000 1.152 1482 A CA 1.101 53.178 52.037 0.067 0.000 0.716 1482 A CB -0.469 18.598 19.000 0.113 0.000 0.794 1482 A HN 0.808 nan 8.150 nan 0.000 0.465 1483 E N -1.651 118.605 120.200 0.093 0.000 2.501 1483 E HA 0.325 4.485 4.350 -0.316 0.000 0.200 1483 E C 1.055 177.695 176.600 0.066 0.000 1.016 1483 E CA 0.214 56.680 56.400 0.110 0.000 0.921 1483 E CB 0.259 30.064 29.700 0.175 0.000 1.034 1483 E HN 0.627 nan 8.360 nan 0.000 0.468 1484 G N 1.971 110.798 108.800 0.045 0.000 2.241 1484 G HA2 -0.304 3.467 3.960 -0.316 0.000 0.244 1484 G HA3 -0.304 3.467 3.960 -0.316 0.000 0.244 1484 G C 0.445 175.361 174.900 0.027 0.000 0.998 1484 G CA 0.212 45.330 45.100 0.030 0.000 0.621 1484 G HN 0.199 nan 8.290 nan 0.000 0.519 1485 K N 0.876 121.297 120.400 0.034 0.000 2.140 1485 K HA 0.688 4.819 4.320 -0.316 0.000 0.237 1485 K C 1.024 177.636 176.600 0.021 0.000 1.045 1485 K CA -0.108 56.198 56.287 0.032 0.000 0.896 1485 K CB 0.493 33.022 32.500 0.049 0.000 1.122 1485 K HN 0.574 nan 8.250 nan 0.000 0.503 1486 A N 0.360 123.195 122.820 0.024 0.000 2.346 1486 A HA 0.130 4.260 4.320 -0.316 0.000 0.252 1486 A C -0.189 177.407 177.584 0.019 0.000 1.089 1486 A CA -0.551 51.501 52.037 0.024 0.000 0.797 1486 A CB 0.177 19.194 19.000 0.027 0.000 1.047 1486 A HN 0.755 nan 8.150 nan 0.000 0.494 1487 C N 1.694 121.016 119.300 0.036 0.000 2.648 1487 C HA 0.166 4.436 4.460 -0.316 0.000 0.419 1487 C C 0.744 175.744 174.990 0.017 0.000 1.352 1487 C CA -0.231 58.813 59.018 0.042 0.000 1.816 1487 C CB -0.810 27.001 27.740 0.119 0.000 2.598 1487 C HN 0.822 nan 8.230 nan 0.000 0.598 1488 D N 4.046 124.432 120.400 -0.023 0.000 2.371 1488 D HA 0.097 4.547 4.640 -0.316 0.000 0.256 1488 D C -1.331 174.964 176.300 -0.008 0.000 1.193 1488 D CA -1.282 52.717 54.000 -0.002 0.000 0.881 1488 D CB 1.231 42.037 40.800 0.010 0.000 1.143 1488 D HN 0.291 nan 8.370 nan 0.000 0.473 1489 P HA -0.120 nan 4.420 nan 0.000 0.216 1489 P C 0.806 178.073 177.300 -0.054 0.000 1.150 1489 P CA 0.936 64.027 63.100 -0.015 0.000 0.837 1489 P CB 0.335 32.035 31.700 0.000 0.000 0.786 1490 E N -0.698 119.477 120.200 -0.040 0.000 2.418 1490 E HA -0.040 4.120 4.350 -0.316 0.000 0.197 1490 E C 1.938 178.448 176.600 -0.150 0.000 1.026 1490 E CA 0.508 56.871 56.400 -0.061 0.000 0.862 1490 E CB -0.681 29.012 29.700 -0.012 0.000 0.799 1490 E HN 0.246 nan 8.360 nan 0.000 0.518 1491 S N 1.147 116.747 115.700 -0.167 0.000 2.368 1491 S HA -0.211 4.069 4.470 -0.316 0.000 0.226 1491 S C 1.236 175.391 174.600 -0.741 0.000 1.044 1491 S CA 0.764 58.827 58.200 -0.228 0.000 1.062 1491 S CB -0.296 62.862 63.200 -0.070 0.000 0.931 1491 S HN 0.273 nan 8.310 nan 0.000 0.440 1492 R N 2.125 121.873 120.500 -1.254 0.000 2.500 1492 R HA -0.057 4.094 4.340 -0.316 0.000 0.281 1492 R C -0.376 174.964 176.300 -1.599 0.000 0.953 1492 R CA 0.807 55.577 56.100 -2.217 0.000 1.108 1492 R CB 0.124 29.523 30.300 -1.501 0.000 0.901 1492 R HN 0.400 nan 8.270 nan 0.000 0.410 1493 Q N 3.105 121.887 119.800 -1.696 0.000 2.309 1493 Q HA 0.359 4.509 4.340 -0.316 0.000 0.264 1493 Q C -1.154 174.390 176.000 -0.761 0.000 1.008 1493 Q CA -0.652 54.643 55.803 -0.847 0.000 0.853 1493 Q CB 1.738 30.220 28.738 -0.427 0.000 1.314 1493 Q HN 0.415 nan 8.270 nan 0.000 0.448 1494 F N 0.256 120.088 119.950 -0.196 0.000 2.541 1494 F HA 0.486 4.822 4.527 -0.318 0.000 0.331 1494 F C 1.078 176.865 175.800 -0.022 0.000 1.057 1494 F CA -0.426 57.512 58.000 -0.104 0.000 0.975 1494 F CB 1.170 40.104 39.000 -0.109 0.000 1.246 1494 F HN 0.776 nan 8.300 nan 0.000 0.484 1495 S N 0.792 116.621 115.700 0.216 0.000 3.447 1495 S HA -0.119 4.162 4.470 -0.316 0.000 0.371 1495 S C 0.119 174.819 174.600 0.166 0.000 0.951 1495 S CA 1.053 59.357 58.200 0.173 0.000 1.269 1495 S CB -1.916 61.406 63.200 0.204 0.000 0.919 1495 S HN 0.837 nan 8.310 nan 0.000 0.516 1496 T N 0.642 115.255 114.554 0.099 0.000 2.841 1496 T HA 0.604 4.764 4.350 -0.316 0.000 0.283 1496 T C 1.134 175.849 174.700 0.025 0.000 1.000 1496 T CA -0.115 62.032 62.100 0.078 0.000 0.977 1496 T CB 0.990 69.900 68.868 0.069 0.000 0.979 1496 T HN 0.800 nan 8.240 nan 0.000 0.446 1497 L N 5.413 126.633 121.223 -0.005 0.000 2.013 1497 L HA 0.216 4.366 4.340 -0.316 0.000 0.212 1497 L C 0.855 177.691 176.870 -0.056 0.000 1.073 1497 L CA 1.820 56.626 54.840 -0.056 0.000 0.753 1497 L CB -0.289 41.704 42.059 -0.110 0.000 0.890 1497 L HN 0.684 nan 8.230 nan 0.000 0.432 1498 I N 1.405 121.980 120.570 0.009 0.000 2.363 1498 I HA 0.133 4.113 4.170 -0.316 0.000 0.292 1498 I C -1.982 174.154 176.117 0.031 0.000 1.075 1498 I CA -1.897 59.444 61.300 0.069 0.000 1.333 1498 I CB 0.310 38.419 38.000 0.181 0.000 1.415 1498 I HN 0.036 nan 8.210 nan 0.000 0.502 1499 P HA -0.132 nan 4.420 nan 0.000 0.260 1499 P C 0.244 177.507 177.300 -0.062 0.000 1.185 1499 P CA 0.113 63.164 63.100 -0.082 0.000 0.763 1499 P CB 0.362 31.945 31.700 -0.196 0.000 0.776 1500 W N 5.878 127.072 121.300 -0.178 0.000 2.338 1500 W HA -0.288 4.181 4.660 -0.319 0.000 0.304 1500 W C 1.844 178.272 176.519 -0.150 0.000 1.212 1500 W CA 1.918 59.153 57.345 -0.183 0.000 1.264 1500 W CB -0.794 28.508 29.460 -0.263 0.000 1.142 1500 W HN 0.471 nan 8.180 nan 0.000 0.512 1501 C N -0.230 118.944 119.300 -0.211 0.000 2.449 1501 C HA -0.019 4.252 4.460 -0.316 0.000 0.283 1501 C C 2.424 177.145 174.990 -0.447 0.000 1.453 1501 C CA 0.679 59.452 59.018 -0.408 0.000 1.779 1501 C CB -1.784 25.881 27.740 -0.125 0.000 1.779 1501 C HN 0.433 nan 8.230 nan 0.000 0.546 1502 L N 0.874 121.778 121.223 -0.532 0.000 2.068 1502 L HA 0.064 4.215 4.340 -0.316 0.000 0.204 1502 L C -0.049 176.710 176.870 -0.186 0.000 1.076 1502 L CA 1.311 55.755 54.840 -0.661 0.000 0.753 1502 L CB -1.691 39.456 42.059 -1.521 0.000 0.910 1502 L HN 0.133 nan 8.230 nan 0.000 0.439 1503 P HA -0.165 nan 4.420 nan 0.000 0.219 1503 P C 1.418 178.726 177.300 0.012 0.000 1.150 1503 P CA 1.301 64.505 63.100 0.174 0.000 0.814 1503 P CB -0.182 31.653 31.700 0.225 0.000 0.787 1504 H N 0.226 119.033 119.070 -0.439 0.000 2.289 1504 H HA -0.146 4.219 4.556 -0.317 0.000 0.294 1504 H C 0.763 175.967 175.328 -0.207 0.000 1.095 1504 H CA 2.140 57.850 56.048 -0.562 0.000 1.256 1504 H CB 0.013 29.043 29.762 -1.219 0.000 1.359 1504 H HN 0.147 nan 8.280 nan 0.000 0.487 1505 T N -2.916 111.540 114.554 -0.163 0.000 3.182 1505 T HA 0.271 4.431 4.350 -0.316 0.000 0.277 1505 T C 1.797 176.572 174.700 0.125 0.000 1.013 1505 T CA 0.241 62.314 62.100 -0.045 0.000 0.900 1505 T CB 0.501 69.377 68.868 0.013 0.000 1.098 1505 T HN 0.374 nan 8.240 nan 0.000 0.543 1506 G N 2.722 111.625 108.800 0.172 0.000 2.469 1506 G HA2 -0.268 3.502 3.960 -0.316 0.000 0.219 1506 G HA3 -0.268 3.502 3.960 -0.316 0.000 0.219 1506 G C 1.557 176.396 174.900 -0.102 0.000 1.150 1506 G CA 0.744 45.939 45.100 0.158 0.000 0.763 1506 G HN 0.485 nan 8.290 nan 0.000 0.561 1507 N N 0.716 119.387 118.700 -0.048 0.000 2.149 1507 N HA -0.069 4.481 4.740 -0.316 0.000 0.188 1507 N C 2.134 177.496 175.510 -0.247 0.000 1.019 1507 N CA 0.787 53.745 53.050 -0.155 0.000 0.857 1507 N CB -0.286 38.196 38.487 -0.009 0.000 0.997 1507 N HN 0.307 nan 8.380 nan 0.000 0.426 1508 R N -0.273 120.098 120.500 -0.215 0.000 2.313 1508 R HA 0.136 4.286 4.340 -0.316 0.000 0.199 1508 R C 0.074 175.947 176.300 -0.712 0.000 0.958 1508 R CA 0.436 56.316 56.100 -0.366 0.000 1.047 1508 R CB 0.141 30.257 30.300 -0.307 0.000 0.955 1508 R HN 0.394 nan 8.270 nan 0.000 0.481 1509 H N -0.915 117.831 119.070 -0.541 0.000 2.924 1509 H HA 0.115 4.482 4.556 -0.314 0.000 0.229 1509 H C -0.525 174.418 175.328 -0.641 0.000 1.345 1509 H CA -0.621 54.974 56.048 -0.754 0.000 1.044 1509 H CB 0.190 29.033 29.762 -1.531 0.000 2.221 1509 H HN 0.086 nan 8.280 nan 0.000 0.574 1510 N N 2.088 120.554 118.700 -0.391 0.000 2.707 1510 N HA -0.277 4.274 4.740 -0.316 0.000 0.253 1510 N C -0.144 175.285 175.510 -0.134 0.000 0.998 1510 N CA 0.921 53.802 53.050 -0.280 0.000 0.751 1510 N CB -1.203 37.212 38.487 -0.120 0.000 0.920 1510 N HN 0.610 nan 8.380 nan 0.000 0.539 1511 H N -3.403 115.649 119.070 -0.031 0.000 2.921 1511 H HA -0.244 4.121 4.556 -0.317 0.000 0.281 1511 H C 0.134 175.735 175.328 0.455 0.000 1.165 1511 H CA 1.335 57.485 56.048 0.170 0.000 1.151 1511 H CB -1.962 27.849 29.762 0.083 0.000 1.311 1511 H HN 0.728 nan 8.280 nan 0.000 0.361 1512 W N -1.484 119.999 121.300 0.303 0.000 5.770 1512 W HA -0.139 4.333 4.660 -0.314 0.000 0.389 1512 W C 0.932 177.681 176.519 0.383 0.000 1.469 1512 W CA 0.343 57.836 57.345 0.247 0.000 0.975 1512 W CB -1.568 27.910 29.460 0.030 0.000 2.622 1512 W HN 0.647 nan 8.180 nan 0.000 1.500 1513 A N 0.622 123.697 122.820 0.424 0.000 2.546 1513 A HA 0.444 4.574 4.320 -0.316 0.000 0.243 1513 A C 1.507 179.254 177.584 0.273 0.000 1.063 1513 A CA 1.539 53.755 52.037 0.299 0.000 0.757 1513 A CB -0.028 19.067 19.000 0.158 0.000 0.991 1513 A HN 1.666 nan 8.150 nan 0.000 0.503 1514 G N 1.078 110.023 108.800 0.241 0.000 2.308 1514 G HA2 -0.162 3.608 3.960 -0.316 0.000 0.221 1514 G HA3 -0.162 3.608 3.960 -0.316 0.000 0.221 1514 G C 0.079 175.104 174.900 0.209 0.000 1.032 1514 G CA 0.073 45.275 45.100 0.170 0.000 0.623 1514 G HN 0.910 nan 8.290 nan 0.000 0.506 1515 L N 0.758 122.168 121.223 0.312 0.000 2.540 1515 L HA 0.479 4.630 4.340 -0.316 0.000 0.276 1515 L C 1.231 178.329 176.870 0.381 0.000 1.212 1515 L CA 0.721 55.699 54.840 0.229 0.000 0.893 1515 L CB -0.755 41.355 42.059 0.085 0.000 1.138 1515 L HN 0.400 nan 8.230 nan 0.000 0.491 1516 Y N 0.197 120.554 120.300 0.095 0.000 3.491 1516 Y HA -0.207 4.166 4.550 -0.294 0.000 0.215 1516 Y C 1.143 177.103 175.900 0.100 0.000 1.219 1516 Y CA 0.766 58.927 58.100 0.101 0.000 1.485 1516 Y CB -1.508 37.044 38.460 0.152 0.000 1.450 1516 Y HN 0.725 nan 8.280 nan 0.000 0.603 1517 G N 0.758 109.647 108.800 0.148 0.000 2.367 1517 G HA2 0.624 4.394 3.960 -0.316 0.000 0.314 1517 G HA3 0.624 4.394 3.960 -0.316 0.000 0.314 1517 G C -0.314 174.581 174.900 -0.008 0.000 1.130 1517 G CA -1.048 44.099 45.100 0.079 0.000 0.864 1517 G HN 0.215 nan 8.290 nan 0.000 0.486 1518 R N 1.185 121.661 120.500 -0.039 0.000 2.390 1518 R HA 0.247 4.397 4.340 -0.316 0.000 0.291 1518 R C 0.177 176.337 176.300 -0.233 0.000 1.070 1518 R CA -0.521 55.502 56.100 -0.129 0.000 1.014 1518 R CB 1.273 31.503 30.300 -0.115 0.000 1.007 1518 R HN 0.381 nan 8.270 nan 0.000 0.466 1519 L N 2.532 123.539 121.223 -0.361 0.000 2.483 1519 L HA -0.002 4.148 4.340 -0.316 0.000 0.275 1519 L C 0.701 177.274 176.870 -0.495 0.000 1.220 1519 L CA 0.549 55.102 54.840 -0.478 0.000 0.833 1519 L CB 0.165 41.813 42.059 -0.685 0.000 1.102 1519 L HN 0.462 nan 8.230 nan 0.000 0.490 1520 E N 1.176 121.122 120.200 -0.424 0.000 2.204 1520 E HA 0.035 4.196 4.350 -0.316 0.000 0.276 1520 E C -0.106 176.308 176.600 -0.310 0.000 0.974 1520 E CA -0.410 55.787 56.400 -0.339 0.000 0.815 1520 E CB 0.980 30.549 29.700 -0.218 0.000 1.119 1520 E HN 0.516 nan 8.360 nan 0.000 0.393 1521 W N 1.576 122.785 121.300 -0.152 0.000 2.350 1521 W HA -0.151 4.324 4.660 -0.308 0.000 0.289 1521 W C 1.354 177.801 176.519 -0.120 0.000 1.215 1521 W CA 0.491 57.751 57.345 -0.142 0.000 1.236 1521 W CB 0.196 29.575 29.460 -0.135 0.000 1.130 1521 W HN 0.537 nan 8.180 nan 0.000 0.541 1522 D N -0.989 119.472 120.400 0.100 0.000 2.348 1522 D HA 0.060 4.511 4.640 -0.316 0.000 0.211 1522 D C 1.460 177.744 176.300 -0.027 0.000 0.998 1522 D CA 0.741 54.762 54.000 0.035 0.000 0.873 1522 D CB -0.283 40.522 40.800 0.009 0.000 0.925 1522 D HN 0.083 nan 8.370 nan 0.000 0.524 1523 G N -0.092 108.643 108.800 -0.108 0.000 2.714 1523 G HA2 0.521 4.292 3.960 -0.316 0.000 0.197 1523 G HA3 0.521 4.292 3.960 -0.316 0.000 0.197 1523 G C -0.438 174.407 174.900 -0.092 0.000 1.449 1523 G CA -0.534 44.416 45.100 -0.250 0.000 1.065 1523 G HN 0.161 nan 8.290 nan 0.000 0.575 1524 F N -3.388 116.542 119.950 -0.033 0.000 2.662 1524 F HA 0.693 5.027 4.527 -0.322 0.000 0.312 1524 F C -0.953 174.900 175.800 0.088 0.000 1.113 1524 F CA -1.958 56.101 58.000 0.098 0.000 0.951 1524 F CB 1.049 40.170 39.000 0.201 0.000 1.344 1524 F HN 0.315 nan 8.300 nan 0.000 0.462 1525 F N 1.634 121.769 119.950 0.308 0.000 2.518 1525 F HA 0.296 4.620 4.527 -0.338 0.000 0.359 1525 F C 1.134 177.127 175.800 0.322 0.000 1.118 1525 F CA 0.233 58.355 58.000 0.202 0.000 1.287 1525 F CB 0.775 39.864 39.000 0.149 0.000 1.132 1525 F HN 0.552 nan 8.300 nan 0.000 0.587 1526 S N 0.961 116.858 115.700 0.329 0.000 2.596 1526 S HA 0.034 4.314 4.470 -0.316 0.000 0.260 1526 S C 0.009 174.781 174.600 0.286 0.000 1.336 1526 S CA -0.812 57.566 58.200 0.298 0.000 0.993 1526 S CB 0.395 63.699 63.200 0.173 0.000 0.923 1526 S HN 0.602 nan 8.310 nan 0.000 0.567 1527 T N 3.202 117.884 114.554 0.213 0.000 2.819 1527 T HA -0.006 4.154 4.350 -0.316 0.000 0.282 1527 T C 0.305 175.095 174.700 0.151 0.000 1.013 1527 T CA 0.510 62.704 62.100 0.157 0.000 1.159 1527 T CB -0.270 68.669 68.868 0.118 0.000 1.007 1527 T HN 0.545 nan 8.240 nan 0.000 0.514 1528 T N 4.665 119.297 114.554 0.130 0.000 2.769 1528 T HA 0.370 4.531 4.350 -0.316 0.000 0.293 1528 T C 0.708 175.463 174.700 0.091 0.000 0.931 1528 T CA -0.696 61.475 62.100 0.118 0.000 1.139 1528 T CB -0.017 68.888 68.868 0.061 0.000 0.881 1528 T HN 0.541 nan 8.240 nan 0.000 0.532 1529 V N 1.494 121.460 119.914 0.086 0.000 2.975 1529 V HA 0.548 4.478 4.120 -0.316 0.000 0.318 1529 V C 1.508 177.632 176.094 0.050 0.000 1.077 1529 V CA -0.547 61.787 62.300 0.057 0.000 1.000 1529 V CB 0.992 32.837 31.823 0.037 0.000 1.066 1529 V HN 0.847 nan 8.190 nan 0.000 0.452 1530 T N -1.461 113.114 114.554 0.034 0.000 2.881 1530 T HA -0.058 4.102 4.350 -0.316 0.000 0.270 1530 T C 0.758 175.468 174.700 0.017 0.000 1.068 1530 T CA 1.668 63.789 62.100 0.036 0.000 1.131 1530 T CB -0.468 68.402 68.868 0.003 0.000 0.871 1530 T HN 0.778 nan 8.240 nan 0.000 0.479 1531 N N 1.881 120.559 118.700 -0.037 0.000 2.653 1531 N HA 0.327 4.877 4.740 -0.316 0.000 0.261 1531 N C -3.255 172.171 175.510 -0.141 0.000 1.216 1531 N CA -1.936 51.049 53.050 -0.109 0.000 0.784 1531 N CB 1.559 40.001 38.487 -0.075 0.000 1.327 1531 N HN 0.079 nan 8.380 nan 0.000 0.539 1532 P HA 0.165 nan 4.420 nan 0.000 0.270 1532 P C -0.879 176.325 177.300 -0.160 0.000 1.242 1532 P CA 0.306 63.315 63.100 -0.153 0.000 0.768 1532 P CB 0.720 32.324 31.700 -0.160 0.000 0.820 1533 E N 5.086 125.203 120.200 -0.138 0.000 2.224 1533 E HA 0.229 4.389 4.350 -0.316 0.000 0.265 1533 E C -1.919 174.540 176.600 -0.235 0.000 0.878 1533 E CA -2.068 54.228 56.400 -0.174 0.000 0.759 1533 E CB 1.917 31.527 29.700 -0.150 0.000 1.164 1533 E HN 0.191 nan 8.360 nan 0.000 0.414 1534 P HA -0.102 nan 4.420 nan 0.000 0.217 1534 P C 1.027 178.007 177.300 -0.533 0.000 1.148 1534 P CA 1.420 64.169 63.100 -0.585 0.000 0.834 1534 P CB 0.299 31.267 31.700 -1.221 0.000 0.783 1535 M N -1.859 117.481 119.600 -0.434 0.000 2.383 1535 M HA 0.190 4.480 4.480 -0.316 0.000 0.247 1535 M C 1.008 177.159 176.300 -0.248 0.000 1.117 1535 M CA -0.187 54.928 55.300 -0.309 0.000 0.995 1535 M CB 0.141 32.599 32.600 -0.235 0.000 1.480 1535 M HN -0.138 nan 8.290 nan 0.000 0.485 1536 G N 0.567 109.258 108.800 -0.182 0.000 2.653 1536 G HA2 0.277 4.047 3.960 -0.316 0.000 0.265 1536 G HA3 0.277 4.047 3.960 -0.316 0.000 0.265 1536 G C 0.947 175.810 174.900 -0.062 0.000 1.237 1536 G CA 0.400 45.432 45.100 -0.114 0.000 0.946 1536 G HN 0.324 nan 8.290 nan 0.000 0.522 1537 K N -0.679 119.721 120.400 0.001 0.000 2.015 1537 K HA -0.166 3.964 4.320 -0.316 0.000 0.220 1537 K C 1.559 178.225 176.600 0.110 0.000 1.055 1537 K CA 2.079 58.419 56.287 0.088 0.000 0.951 1537 K CB -1.124 31.433 32.500 0.095 0.000 0.725 1537 K HN 0.668 nan 8.250 nan 0.000 0.449 1538 Q N -0.489 119.357 119.800 0.077 0.000 2.430 1538 Q HA 0.461 4.611 4.340 -0.316 0.000 0.245 1538 Q C 0.801 176.821 176.000 0.033 0.000 1.021 1538 Q CA -0.064 55.786 55.803 0.080 0.000 0.867 1538 Q CB 1.454 30.247 28.738 0.091 0.000 1.210 1538 Q HN 0.544 nan 8.270 nan 0.000 0.487 1539 G N 2.198 111.010 108.800 0.021 0.000 3.233 1539 G HA2 -0.030 3.740 3.960 -0.316 0.000 0.234 1539 G HA3 -0.030 3.740 3.960 -0.316 0.000 0.234 1539 G C 0.578 175.453 174.900 -0.041 0.000 1.137 1539 G CA -0.330 44.741 45.100 -0.048 0.000 0.763 1539 G HN 0.410 nan 8.290 nan 0.000 0.549 1540 R N 1.323 121.818 120.500 -0.009 0.000 3.641 1540 R HA 0.202 4.352 4.340 -0.316 0.000 0.189 1540 R C 0.955 177.203 176.300 -0.087 0.000 1.706 1540 R CA -0.001 56.073 56.100 -0.044 0.000 1.311 1540 R CB -0.169 30.096 30.300 -0.058 0.000 1.330 1540 R HN 0.197 nan 8.270 nan 0.000 0.727 1541 V N 0.139 120.004 119.914 -0.082 0.000 3.380 1541 V HA 0.271 4.202 4.120 -0.316 0.000 0.307 1541 V C 0.335 176.390 176.094 -0.064 0.000 1.434 1541 V CA -0.386 61.870 62.300 -0.072 0.000 1.075 1541 V CB -0.049 31.741 31.823 -0.056 0.000 0.954 1541 V HN 0.233 nan 8.190 nan 0.000 0.444 1542 L N 1.795 122.978 121.223 -0.067 0.000 2.371 1542 L HA 0.426 4.576 4.340 -0.316 0.000 0.272 1542 L C 0.884 177.714 176.870 -0.066 0.000 1.124 1542 L CA -0.378 54.452 54.840 -0.017 0.000 0.816 1542 L CB 0.346 42.424 42.059 0.032 0.000 1.129 1542 L HN 0.335 nan 8.230 nan 0.000 0.448 1543 H N 4.472 123.484 119.070 -0.096 0.000 2.929 1543 H HA -0.011 4.352 4.556 -0.322 0.000 0.358 1543 H C -1.829 173.354 175.328 -0.243 0.000 1.111 1543 H CA -0.823 55.130 56.048 -0.159 0.000 1.409 1543 H CB 1.521 31.243 29.762 -0.067 0.000 1.373 1543 H HN 0.349 nan 8.280 nan 0.000 0.610 1544 P HA -0.053 nan 4.420 nan 0.000 0.222 1544 P C 0.358 177.514 177.300 -0.240 0.000 1.147 1544 P CA 1.475 64.140 63.100 -0.724 0.000 0.790 1544 P CB 0.391 31.107 31.700 -1.640 0.000 0.780 1545 E N -2.272 117.998 120.200 0.116 0.000 2.475 1545 E HA 0.091 4.251 4.350 -0.316 0.000 0.205 1545 E C 0.476 177.125 176.600 0.082 0.000 0.822 1545 E CA -0.041 56.477 56.400 0.196 0.000 1.240 1545 E CB 0.213 30.105 29.700 0.320 0.000 1.222 1545 E HN 0.263 nan 8.360 nan 0.000 0.581 1546 Q N 0.900 120.787 119.800 0.145 0.000 2.312 1546 Q HA 0.190 4.340 4.340 -0.316 0.000 0.236 1546 Q C -0.529 175.422 176.000 -0.082 0.000 0.965 1546 Q CA -0.201 55.476 55.803 -0.211 0.000 0.894 1546 Q CB 0.683 29.197 28.738 -0.373 0.000 1.225 1546 Q HN 0.187 nan 8.270 nan 0.000 0.478 1547 H N 2.572 121.643 119.070 0.002 0.000 2.680 1547 H HA 0.274 4.639 4.556 -0.319 0.000 0.224 1547 H C -0.459 174.881 175.328 0.020 0.000 1.866 1547 H CA -0.116 55.943 56.048 0.018 0.000 1.302 1547 H CB -0.699 29.067 29.762 0.005 0.000 1.709 1547 H HN 0.518 nan 8.280 nan 0.000 0.537 1548 R N -1.482 119.096 120.500 0.131 0.000 2.728 1548 R HA 0.437 4.588 4.340 -0.316 0.000 0.274 1548 R C -1.008 175.335 176.300 0.072 0.000 1.032 1548 R CA -0.974 55.171 56.100 0.075 0.000 0.866 1548 R CB 1.062 31.375 30.300 0.021 0.000 1.263 1548 R HN 0.035 nan 8.270 nan 0.000 0.475 1549 V N 0.475 120.415 119.914 0.043 0.000 3.133 1549 V HA 0.459 4.390 4.120 -0.316 0.000 0.305 1549 V C 0.847 176.990 176.094 0.081 0.000 1.084 1549 V CA -0.181 62.139 62.300 0.033 0.000 1.089 1549 V CB 1.268 33.079 31.823 -0.020 0.000 1.073 1549 V HN 0.704 nan 8.190 nan 0.000 0.477 1550 V N 2.827 122.810 119.914 0.115 0.000 3.139 1550 V HA 0.444 4.374 4.120 -0.316 0.000 0.307 1550 V C 0.694 176.927 176.094 0.232 0.000 1.095 1550 V CA 0.288 62.713 62.300 0.208 0.000 1.160 1550 V CB 0.248 32.240 31.823 0.282 0.000 1.003 1550 V HN 1.511 nan 8.190 nan 0.000 0.489 1551 S N 1.980 117.826 115.700 0.243 0.000 2.652 1551 S HA 0.393 4.673 4.470 -0.316 0.000 0.270 1551 S C 0.882 175.577 174.600 0.158 0.000 1.243 1551 S CA -0.131 58.178 58.200 0.182 0.000 0.999 1551 S CB 1.416 64.702 63.200 0.144 0.000 0.973 1551 S HN 0.790 nan 8.310 nan 0.000 0.544 1552 V N 1.432 121.304 119.914 -0.070 0.000 2.324 1552 V HA -0.195 3.736 4.120 -0.316 0.000 0.250 1552 V C 2.917 178.930 176.094 -0.134 0.000 1.060 1552 V CA 2.503 64.592 62.300 -0.353 0.000 1.042 1552 V CB -1.068 30.469 31.823 -0.477 0.000 0.650 1552 V HN 0.942 nan 8.190 nan 0.000 0.450 1553 R N 0.273 120.797 120.500 0.041 0.000 2.073 1553 R HA -0.154 3.996 4.340 -0.316 0.000 0.234 1553 R C 2.201 178.587 176.300 0.143 0.000 1.134 1553 R CA 1.835 58.005 56.100 0.117 0.000 0.952 1553 R CB -0.436 29.958 30.300 0.157 0.000 0.850 1553 R HN 0.632 nan 8.270 nan 0.000 0.433 1554 E N -0.750 119.578 120.200 0.213 0.000 2.058 1554 E HA -0.247 3.914 4.350 -0.316 0.000 0.194 1554 E C 2.129 178.802 176.600 0.121 0.000 0.997 1554 E CA 1.605 58.155 56.400 0.250 0.000 0.801 1554 E CB -0.237 29.694 29.700 0.385 0.000 0.746 1554 E HN 0.382 nan 8.360 nan 0.000 0.450 1555 C N 0.548 119.912 119.300 0.107 0.000 2.413 1555 C HA -0.125 4.146 4.460 -0.316 0.000 0.277 1555 C C 2.870 177.835 174.990 -0.041 0.000 1.265 1555 C CA 0.841 59.859 59.018 -0.001 0.000 1.752 1555 C CB -0.978 26.821 27.740 0.098 0.000 1.998 1555 C HN 0.521 nan 8.230 nan 0.000 0.489 1556 A N 0.116 122.945 122.820 0.015 0.000 1.969 1556 A HA -0.120 4.010 4.320 -0.316 0.000 0.218 1556 A C 2.283 180.022 177.584 0.260 0.000 1.169 1556 A CA 1.117 53.264 52.037 0.184 0.000 0.635 1556 A CB -0.400 18.707 19.000 0.177 0.000 0.810 1556 A HN 0.578 nan 8.150 nan 0.000 0.445 1557 R N 0.297 120.888 120.500 0.151 0.000 2.115 1557 R HA -0.083 4.068 4.340 -0.316 0.000 0.226 1557 R C 2.544 178.892 176.300 0.080 0.000 1.100 1557 R CA 1.508 57.723 56.100 0.192 0.000 0.980 1557 R CB -0.609 29.831 30.300 0.233 0.000 0.875 1557 R HN 0.736 nan 8.270 nan 0.000 0.445 1558 S N 0.400 115.944 115.700 -0.260 0.000 2.383 1558 S HA -0.064 4.216 4.470 -0.316 0.000 0.227 1558 S C 1.219 175.685 174.600 -0.222 0.000 1.026 1558 S CA 0.363 58.214 58.200 -0.581 0.000 0.981 1558 S CB 0.070 62.340 63.200 -1.550 0.000 0.818 1558 S HN 0.127 nan 8.310 nan 0.000 0.472 1559 Q N 0.608 120.353 119.800 -0.091 0.000 2.370 1559 Q HA 0.388 4.538 4.340 -0.316 0.000 0.186 1559 Q C 1.010 176.980 176.000 -0.049 0.000 1.093 1559 Q CA 0.511 56.277 55.803 -0.062 0.000 1.142 1559 Q CB -0.097 28.659 28.738 0.030 0.000 1.175 1559 Q HN 0.475 nan 8.270 nan 0.000 0.625 1560 G N -0.034 108.618 108.800 -0.246 0.000 3.609 1560 G HA2 0.267 4.037 3.960 -0.316 0.000 0.280 1560 G HA3 0.267 4.037 3.960 -0.316 0.000 0.280 1560 G C -0.370 174.381 174.900 -0.249 0.000 1.155 1560 G CA -0.311 44.689 45.100 -0.167 0.000 0.876 1560 G HN 0.213 nan 8.290 nan 0.000 0.535 1561 F N 1.365 121.276 119.950 -0.064 0.000 2.495 1561 F HA 0.252 4.586 4.527 -0.320 0.000 0.365 1561 F C -1.530 174.228 175.800 -0.070 0.000 1.090 1561 F CA -1.861 56.080 58.000 -0.097 0.000 1.235 1561 F CB 1.020 40.046 39.000 0.043 0.000 1.119 1561 F HN 0.009 nan 8.300 nan 0.000 0.562 1562 P HA -0.008 nan 4.420 nan 0.000 0.270 1562 P C -0.036 177.331 177.300 0.111 0.000 1.223 1562 P CA 0.005 63.126 63.100 0.034 0.000 0.785 1562 P CB 0.709 32.427 31.700 0.031 0.000 0.923 1563 D N -0.344 120.089 120.400 0.055 0.000 2.264 1563 D HA -0.114 4.336 4.640 -0.316 0.000 0.208 1563 D C 1.635 177.973 176.300 0.064 0.000 0.966 1563 D CA 1.349 55.408 54.000 0.098 0.000 0.864 1563 D CB -0.401 40.483 40.800 0.139 0.000 0.933 1563 D HN 0.348 nan 8.370 nan 0.000 0.499 1564 S N -1.102 114.613 115.700 0.026 0.000 2.561 1564 S HA -0.101 4.179 4.470 -0.316 0.000 0.225 1564 S C 0.738 175.285 174.600 -0.088 0.000 0.977 1564 S CA -0.396 57.785 58.200 -0.031 0.000 0.926 1564 S CB -0.547 62.626 63.200 -0.045 0.000 0.769 1564 S HN 0.213 nan 8.310 nan 0.000 0.533 1565 Y N 3.826 124.021 120.300 -0.174 0.000 2.465 1565 Y HA 0.323 4.681 4.550 -0.321 0.000 0.331 1565 Y C 0.575 176.061 175.900 -0.689 0.000 1.102 1565 Y CA -0.542 57.347 58.100 -0.351 0.000 1.358 1565 Y CB 0.455 38.768 38.460 -0.245 0.000 1.213 1565 Y HN 0.068 nan 8.280 nan 0.000 0.525 1566 R N 5.695 125.555 120.500 -1.066 0.000 2.486 1566 R HA 0.408 4.558 4.340 -0.316 0.000 0.286 1566 R C -1.399 174.285 176.300 -1.026 0.000 0.999 1566 R CA -0.575 55.036 56.100 -0.816 0.000 0.993 1566 R CB 0.794 30.802 30.300 -0.486 0.000 1.084 1566 R HN 0.576 nan 8.270 nan 0.000 0.487 1567 F N 0.557 120.437 119.950 -0.118 0.000 2.679 1567 F HA 0.617 4.977 4.527 -0.279 0.000 0.341 1567 F C -0.449 175.373 175.800 0.037 0.000 1.095 1567 F CA -1.095 56.873 58.000 -0.053 0.000 1.004 1567 F CB 1.184 40.135 39.000 -0.082 0.000 1.388 1567 F HN 0.337 nan 8.300 nan 0.000 0.505 1568 F N 0.019 120.013 119.950 0.074 0.000 2.615 1568 F HA 0.641 4.978 4.527 -0.318 0.000 0.312 1568 F C -0.152 175.607 175.800 -0.069 0.000 1.119 1568 F CA 0.005 57.983 58.000 -0.037 0.000 0.979 1568 F CB 1.712 40.655 39.000 -0.096 0.000 1.266 1568 F HN 0.866 nan 8.300 nan 0.000 0.444 1569 G N 3.703 112.091 108.800 -0.687 0.000 2.483 1569 G HA2 -0.010 3.761 3.960 -0.316 0.000 0.521 1569 G HA3 -0.010 3.761 3.960 -0.316 0.000 0.521 1569 G C -1.423 173.344 174.900 -0.221 0.000 1.278 1569 G CA -0.573 44.293 45.100 -0.390 0.000 0.965 1569 G HN 1.317 nan 8.290 nan 0.000 0.504 1570 N N -0.545 118.102 118.700 -0.088 0.000 2.317 1570 N HA 0.385 4.935 4.740 -0.316 0.000 0.245 1570 N C 1.780 177.291 175.510 0.002 0.000 1.294 1570 N CA 0.084 53.111 53.050 -0.039 0.000 0.924 1570 N CB 0.527 39.019 38.487 0.008 0.000 1.186 1570 N HN 1.111 nan 8.380 nan 0.000 0.495 1571 I N -0.668 119.909 120.570 0.011 0.000 2.248 1571 I HA -0.257 3.724 4.170 -0.316 0.000 0.248 1571 I C 1.583 177.769 176.117 0.116 0.000 1.107 1571 I CA 1.399 62.717 61.300 0.029 0.000 1.373 1571 I CB -0.033 38.000 38.000 0.055 0.000 1.055 1571 I HN 0.508 nan 8.210 nan 0.000 0.418 1572 L N 0.176 121.486 121.223 0.144 0.000 2.109 1572 L HA -0.188 3.962 4.340 -0.316 0.000 0.207 1572 L C 2.145 179.149 176.870 0.223 0.000 1.086 1572 L CA 1.032 55.982 54.840 0.184 0.000 0.760 1572 L CB -0.943 41.190 42.059 0.123 0.000 0.910 1572 L HN 0.264 nan 8.230 nan 0.000 0.437 1573 D N 0.289 120.840 120.400 0.252 0.000 2.123 1573 D HA -0.165 4.286 4.640 -0.316 0.000 0.196 1573 D C 2.328 178.817 176.300 0.314 0.000 0.992 1573 D CA 1.131 55.390 54.000 0.431 0.000 0.833 1573 D CB -0.100 40.866 40.800 0.277 0.000 0.954 1573 D HN 0.338 nan 8.370 nan 0.000 0.455 1574 R N -0.009 120.552 120.500 0.102 0.000 2.073 1574 R HA -0.052 4.098 4.340 -0.316 0.000 0.229 1574 R C 2.217 178.419 176.300 -0.163 0.000 1.120 1574 R CA 0.653 56.714 56.100 -0.064 0.000 0.967 1574 R CB -0.780 29.415 30.300 -0.175 0.000 0.862 1574 R HN 0.400 nan 8.270 nan 0.000 0.436 1575 H N 1.027 120.067 119.070 -0.050 0.000 2.319 1575 H HA -0.104 4.452 4.556 0.000 0.000 0.299 1575 H C 2.264 177.588 175.328 -0.006 0.000 1.092 1575 H CA 1.744 57.760 56.048 -0.052 0.000 1.302 1575 H CB -0.086 29.666 29.762 -0.016 0.000 1.373 1575 H HN 0.129 nan 8.280 nan 0.000 0.497 1576 R N 0.911 121.527 120.500 0.192 0.000 2.080 1576 R HA -0.164 3.986 4.340 -0.316 0.000 0.236 1576 R C 2.471 178.882 176.300 0.185 0.000 1.137 1576 R CA 1.783 57.972 56.100 0.149 0.000 0.943 1576 R CB -0.016 30.349 30.300 0.109 0.000 0.846 1576 R HN 0.367 nan 8.270 nan 0.000 0.431 1577 Q N -0.724 119.232 119.800 0.259 0.000 2.096 1577 Q HA -0.159 3.991 4.340 -0.316 0.000 0.204 1577 Q C 2.111 178.180 176.000 0.114 0.000 0.982 1577 Q CA 1.949 57.901 55.803 0.248 0.000 0.850 1577 Q CB 0.019 28.916 28.738 0.266 0.000 0.901 1577 Q HN 0.216 nan 8.270 nan 0.000 0.422 1578 V N -0.089 119.775 119.914 -0.084 0.000 2.323 1578 V HA -0.150 3.780 4.120 -0.316 0.000 0.244 1578 V C 2.162 178.310 176.094 0.090 0.000 1.041 1578 V CA 1.905 64.145 62.300 -0.099 0.000 1.025 1578 V CB -1.019 30.602 31.823 -0.336 0.000 0.656 1578 V HN 0.539 nan 8.190 nan 0.000 0.451 1579 G N -0.122 108.725 108.800 0.078 0.000 2.443 1579 G HA2 -0.225 3.545 3.960 -0.316 0.000 0.219 1579 G HA3 -0.225 3.545 3.960 -0.316 0.000 0.219 1579 G C 1.405 176.358 174.900 0.088 0.000 1.131 1579 G CA 0.684 45.837 45.100 0.087 0.000 0.775 1579 G HN 0.490 nan 8.290 nan 0.000 0.547 1580 N N 0.918 119.681 118.700 0.105 0.000 2.354 1580 N HA 0.117 4.667 4.740 -0.316 0.000 0.179 1580 N C 1.352 176.928 175.510 0.111 0.000 1.021 1580 N CA 0.583 53.693 53.050 0.100 0.000 0.887 1580 N CB -0.105 38.455 38.487 0.122 0.000 0.974 1580 N HN 0.334 nan 8.380 nan 0.000 0.437 1581 A N 0.495 123.416 122.820 0.168 0.000 2.406 1581 A HA 0.300 4.430 4.320 -0.316 0.000 0.243 1581 A C 0.212 177.822 177.584 0.043 0.000 1.082 1581 A CA -0.281 51.863 52.037 0.179 0.000 0.786 1581 A CB 0.461 19.721 19.000 0.434 0.000 1.029 1581 A HN -0.025 nan 8.150 nan 0.000 0.495 1582 V N 3.277 123.165 119.914 -0.042 0.000 2.461 1582 V HA 0.239 4.169 4.120 -0.316 0.000 0.275 1582 V C -2.107 173.840 176.094 -0.244 0.000 1.047 1582 V CA -1.242 60.979 62.300 -0.132 0.000 0.955 1582 V CB 0.979 32.698 31.823 -0.174 0.000 0.988 1582 V HN 0.743 nan 8.190 nan 0.000 0.471 1583 P HA 0.127 nan 4.420 nan 0.000 0.262 1583 P C -2.133 174.944 177.300 -0.371 0.000 1.199 1583 P CA -1.134 61.753 63.100 -0.356 0.000 0.763 1583 P CB 0.178 31.753 31.700 -0.207 0.000 0.790 1584 P HA -0.161 nan 4.420 nan 0.000 0.217 1584 P C -1.302 175.872 177.300 -0.210 0.000 1.151 1584 P CA 2.173 65.044 63.100 -0.382 0.000 0.849 1584 P CB -1.460 29.962 31.700 -0.463 0.000 0.787 1585 P HA -0.100 nan 4.420 nan 0.000 0.221 1585 P C 1.542 178.821 177.300 -0.034 0.000 1.150 1585 P CA 0.723 63.796 63.100 -0.045 0.000 0.800 1585 P CB -0.340 31.371 31.700 0.019 0.000 0.787 1586 L N -0.080 121.081 121.223 -0.103 0.000 2.044 1586 L HA 0.021 4.171 4.340 -0.316 0.000 0.205 1586 L C 2.254 179.019 176.870 -0.175 0.000 1.075 1586 L CA 1.901 56.627 54.840 -0.189 0.000 0.747 1586 L CB -1.596 40.354 42.059 -0.180 0.000 0.903 1586 L HN -0.127 nan 8.230 nan 0.000 0.435 1587 A N -0.372 122.361 122.820 -0.145 0.000 1.883 1587 A HA -0.298 3.833 4.320 -0.316 0.000 0.217 1587 A C 2.467 180.113 177.584 0.102 0.000 1.186 1587 A CA 2.176 54.163 52.037 -0.083 0.000 0.624 1587 A CB -0.729 18.106 19.000 -0.274 0.000 0.822 1587 A HN 0.511 nan 8.150 nan 0.000 0.444 1588 K N -0.402 120.016 120.400 0.030 0.000 2.032 1588 K HA -0.163 3.968 4.320 -0.316 0.000 0.209 1588 K C 2.214 178.835 176.600 0.035 0.000 1.048 1588 K CA 1.387 57.710 56.287 0.060 0.000 0.927 1588 K CB -0.385 32.130 32.500 0.025 0.000 0.712 1588 K HN 0.382 nan 8.250 nan 0.000 0.441 1589 A N 1.477 124.295 122.820 -0.003 0.000 1.892 1589 A HA -0.190 3.940 4.320 -0.316 0.000 0.218 1589 A C 2.119 179.672 177.584 -0.052 0.000 1.188 1589 A CA 1.823 53.848 52.037 -0.020 0.000 0.631 1589 A CB -0.678 18.249 19.000 -0.122 0.000 0.822 1589 A HN 0.382 nan 8.150 nan 0.000 0.447 1590 I N -0.369 120.164 120.570 -0.062 0.000 2.226 1590 I HA -0.217 3.763 4.170 -0.316 0.000 0.245 1590 I C 2.703 178.757 176.117 -0.105 0.000 1.100 1590 I CA 1.078 62.353 61.300 -0.042 0.000 1.374 1590 I CB -0.709 37.331 38.000 0.068 0.000 1.057 1590 I HN 0.415 nan 8.210 nan 0.000 0.413 1591 G N 1.219 109.973 108.800 -0.076 0.000 2.440 1591 G HA2 -0.218 3.552 3.960 -0.316 0.000 0.218 1591 G HA3 -0.218 3.552 3.960 -0.316 0.000 0.218 1591 G C 1.700 176.459 174.900 -0.235 0.000 1.154 1591 G CA 0.620 45.535 45.100 -0.309 0.000 0.767 1591 G HN 0.294 nan 8.290 nan 0.000 0.552 1592 L N 0.164 121.317 121.223 -0.115 0.000 2.141 1592 L HA -0.024 4.126 4.340 -0.316 0.000 0.209 1592 L C 2.904 179.712 176.870 -0.104 0.000 1.094 1592 L CA 0.811 55.600 54.840 -0.085 0.000 0.763 1592 L CB -0.274 41.772 42.059 -0.021 0.000 0.908 1592 L HN 0.125 nan 8.230 nan 0.000 0.437 1593 E N 0.463 120.594 120.200 -0.115 0.000 2.051 1593 E HA -0.176 3.984 4.350 -0.316 0.000 0.192 1593 E C 2.291 178.780 176.600 -0.185 0.000 0.991 1593 E CA 1.270 57.597 56.400 -0.121 0.000 0.799 1593 E CB -0.231 29.395 29.700 -0.123 0.000 0.748 1593 E HN 0.519 nan 8.360 nan 0.000 0.449 1594 I N 1.233 121.627 120.570 -0.293 0.000 2.286 1594 I HA -0.265 3.715 4.170 -0.316 0.000 0.248 1594 I C 2.630 178.515 176.117 -0.387 0.000 1.115 1594 I CA 1.092 62.112 61.300 -0.467 0.000 1.392 1594 I CB -0.257 37.338 38.000 -0.675 0.000 1.065 1594 I HN 0.057 nan 8.210 nan 0.000 0.418 1595 K N 1.429 121.666 120.400 -0.271 0.000 2.103 1595 K HA -0.176 3.954 4.320 -0.316 0.000 0.207 1595 K C 2.154 178.691 176.600 -0.106 0.000 1.048 1595 K CA 1.281 57.464 56.287 -0.173 0.000 0.930 1595 K CB -0.048 32.378 32.500 -0.123 0.000 0.716 1595 K HN 0.311 nan 8.250 nan 0.000 0.444 1596 L N 0.555 121.724 121.223 -0.091 0.000 2.127 1596 L HA -0.241 3.910 4.340 -0.316 0.000 0.211 1596 L C 2.292 179.148 176.870 -0.023 0.000 1.089 1596 L CA 1.048 55.861 54.840 -0.045 0.000 0.757 1596 L CB -0.515 41.524 42.059 -0.034 0.000 0.899 1596 L HN 0.379 nan 8.230 nan 0.000 0.434 1597 C N -0.260 119.016 119.300 -0.040 0.000 2.539 1597 C HA 0.049 4.319 4.460 -0.316 0.000 0.271 1597 C C 2.316 177.367 174.990 0.101 0.000 1.412 1597 C CA 0.032 59.083 59.018 0.055 0.000 1.729 1597 C CB -1.040 26.775 27.740 0.125 0.000 1.739 1597 C HN 0.438 nan 8.230 nan 0.000 0.570 1598 L N -0.285 120.955 121.223 0.028 0.000 2.616 1598 L HA 0.175 4.325 4.340 -0.316 0.000 0.229 1598 L C 0.326 177.222 176.870 0.043 0.000 1.110 1598 L CA 0.019 54.892 54.840 0.055 0.000 0.884 1598 L CB -0.226 41.840 42.059 0.011 0.000 1.115 1598 L HN 0.161 nan 8.230 nan 0.000 0.481 1599 L N 0.770 122.011 121.223 0.029 0.000 2.439 1599 L HA 0.436 4.586 4.340 -0.316 0.000 0.269 1599 L C 1.101 177.991 176.870 0.033 0.000 1.179 1599 L CA 0.975 55.830 54.840 0.025 0.000 0.828 1599 L CB -0.271 41.797 42.059 0.016 0.000 1.106 1599 L HN 0.440 nan 8.230 nan 0.000 0.467 1600 S N 0.000 115.717 115.700 0.028 0.000 2.498 1600 S HA 0.000 4.280 4.470 -0.316 0.000 0.327 1600 S CA 0.000 58.217 58.200 0.028 0.000 1.107 1600 S CB 0.000 63.215 63.200 0.025 0.000 0.593 1600 S HN 0.000 nan 8.310 nan 0.000 0.517