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 2xwj_1_H DATA FIRST_RESID 730 DATA SEQUENCE DEDIIAEENI VSRSEFPESW LWNVEDLKEP PKNGISTKLM NIFLKDSITT DATA SEQUENCE WEILAVSMSD KKGICVADPF EVTVMQDFFI DLRLPYSVVR NEQVEIRAVL DATA SEQUENCE YNYRQNQELK VRVELLHNPA FcSLATTKRR HQQTVTIPPK SSLSVPYVIV DATA SEQUENCE PLKTGLQEVE VKAAVYHHFI SDGVRKSLKV VPEGIRMNKT VAVRTLDPER DATA SEQUENCE LGREGVQKED IPPADLSDQV PDTESETRIL LQGTPVAQMT EDAVDAERLK DATA SEQUENCE HLIVTPSGCG EENMIGMTPT VIAVHYLDET EQWEKFGLEK RQGALELIKK DATA SEQUENCE GYTQQLAFRQ PSSAFAAFVK RAPSTWLTAY VVKVFSLAVN LIAIDSQVLc DATA SEQUENCE GAVKWLILEK QKPDGVFQED APVIHQEMIG GLRNNNEKDM ALTAFVLISL DATA SEQUENCE QEAKDIcEEQ VNSLPGSITK AGDFLEANYM NLQRSYTVAI AGYALAQMGR DATA SEQUENCE LKGPLLNKFL TTAKDKNRWE DPGKQLYNVE ATSYALLALL QLKDFDFVPP DATA SEQUENCE VVRWLNEQRY YGGGYGSTQA TFMVFQALAQ YQKDAPDHQE LNLDVSLQLP DATA SEQUENCE SRSSKITHRI HWESASLLRS EETKENEGFT VTAEGKGQGT LSVVTMYHAK DATA SEQUENCE AKDQLTcNKF DLKVTIKPAP XXXXXXXXXK NTMILEIcTR YRGDQDATMS DATA SEQUENCE ILDISMMTGF APDTDDLKQL ANGVDRYISK YELDKAFSDR NTLIIYLDKV DATA SEQUENCE SHSEDDcLAF KVHQYFNVEL IQPGAVKVYA YYNLEEScTR FYHPEKEDGK DATA SEQUENCE LNKLcRDELc RcAEENcFIQ KXXDKVTLEE RLDKAcEPGV DYVYKTRLVK DATA SEQUENCE VQLSNDFDEY IMAIEQTIKS GSDEVQVGQQ RTFISPIKcR EALKLEEKKH DATA SEQUENCE YLMWGLSSDF WGEKPNLSYI IGKDTWVEHW PEEDEcQDEE NQKQcQDLGA DATA SEQUENCE FTESMVVFGc PN 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 D HA 0.000 nan 4.640 nan 0.000 0.175 730 D C 0.000 176.314 176.300 0.023 0.000 2.045 730 D CA 0.000 54.039 54.000 0.065 0.000 0.868 730 D CB 0.000 40.894 40.800 0.157 0.000 0.688 731 E N 0.515 120.741 120.200 0.042 0.000 2.318 731 E HA 0.156 4.506 4.350 0.000 0.000 0.193 731 E C 0.195 176.777 176.600 -0.030 0.000 0.998 731 E CA 0.842 57.251 56.400 0.014 0.000 0.859 731 E CB 0.434 30.155 29.700 0.034 0.000 0.812 731 E HN 0.178 nan 8.360 nan 0.000 0.492 732 D N -1.287 119.065 120.400 -0.080 0.000 2.568 732 D HA 0.303 4.943 4.640 0.000 0.000 0.219 732 D C 0.550 176.696 176.300 -0.258 0.000 1.239 732 D CA -0.151 53.751 54.000 -0.164 0.000 1.096 732 D CB 0.456 41.108 40.800 -0.247 0.000 1.198 732 D HN -0.039 nan 8.370 nan 0.000 0.620 733 I N -2.157 118.211 120.570 -0.337 0.000 7.371 733 I HA -0.304 3.866 4.170 0.000 0.000 0.126 733 I C -0.979 175.014 176.117 -0.205 0.000 1.532 733 I CA 0.336 61.428 61.300 -0.348 0.000 2.388 733 I CB -0.700 36.932 38.000 -0.612 0.000 3.069 733 I HN 0.293 nan 8.210 nan 0.000 0.264 734 I N 2.179 122.630 120.570 -0.198 0.000 2.385 734 I HA 0.561 4.731 4.170 0.000 0.000 0.294 734 I C 1.084 177.133 176.117 -0.114 0.000 0.988 734 I CA -0.163 61.051 61.300 -0.144 0.000 1.265 734 I CB 1.416 39.301 38.000 -0.191 0.000 1.388 734 I HN 0.796 nan 8.210 nan 0.000 0.480 735 A N 5.392 128.169 122.820 -0.071 0.000 2.531 735 A HA 0.043 4.364 4.320 0.000 0.000 0.236 735 A C 1.032 178.592 177.584 -0.039 0.000 1.062 735 A CA -0.096 51.913 52.037 -0.047 0.000 0.760 735 A CB 0.108 19.094 19.000 -0.023 0.000 0.995 735 A HN 0.774 nan 8.150 nan 0.000 0.501 736 E N 1.534 121.719 120.200 -0.025 0.000 2.526 736 E HA -0.070 4.281 4.350 0.000 0.000 0.198 736 E C 0.550 177.151 176.600 0.002 0.000 1.091 736 E CA 0.765 57.159 56.400 -0.009 0.000 0.880 736 E CB 0.113 29.816 29.700 0.004 0.000 0.873 736 E HN 0.781 nan 8.360 nan 0.000 0.527 737 E N -0.059 120.141 120.200 -0.001 0.000 2.413 737 E HA 0.055 4.405 4.350 0.000 0.000 0.203 737 E C 0.533 177.136 176.600 0.004 0.000 0.957 737 E CA 0.136 56.540 56.400 0.007 0.000 0.950 737 E CB 0.249 29.954 29.700 0.009 0.000 0.957 737 E HN 0.008 nan 8.360 nan 0.000 0.497 738 N N 0.524 119.222 118.700 -0.004 0.000 2.378 738 N HA 0.187 4.927 4.740 0.000 0.000 0.243 738 N C -0.782 174.719 175.510 -0.016 0.000 1.137 738 N CA 0.146 53.193 53.050 -0.004 0.000 0.862 738 N CB 0.400 38.885 38.487 -0.003 0.000 1.116 738 N HN 0.138 nan 8.380 nan 0.000 0.499 739 I N 0.837 121.402 120.570 -0.010 0.000 2.390 739 I HA 0.216 4.386 4.170 0.000 0.000 0.283 739 I C -0.273 175.851 176.117 0.011 0.000 1.016 739 I CA -0.865 60.431 61.300 -0.007 0.000 1.151 739 I CB 1.621 39.619 38.000 -0.003 0.000 1.293 739 I HN -0.304 nan 8.210 nan 0.000 0.458 740 V N 5.681 125.602 119.914 0.013 0.000 2.387 740 V HA 0.106 4.226 4.120 0.000 0.000 0.260 740 V C 0.695 176.807 176.094 0.029 0.000 1.054 740 V CA 0.005 62.316 62.300 0.018 0.000 0.967 740 V CB 0.505 32.336 31.823 0.014 0.000 1.036 740 V HN 0.730 nan 8.190 nan 0.000 0.481 741 S N 5.589 121.311 115.700 0.036 0.000 2.580 741 S HA 0.419 4.890 4.470 0.000 0.000 0.274 741 S C 0.461 175.094 174.600 0.055 0.000 1.329 741 S CA -0.657 57.578 58.200 0.060 0.000 1.036 741 S CB 0.656 63.895 63.200 0.065 0.000 0.919 741 S HN 0.680 nan 8.310 nan 0.000 0.515 742 R N 0.918 121.474 120.500 0.093 0.000 2.679 742 R HA 0.296 4.636 4.340 0.000 0.000 0.269 742 R C 0.971 177.305 176.300 0.057 0.000 1.076 742 R CA 0.115 56.228 56.100 0.022 0.000 1.160 742 R CB 0.440 30.785 30.300 0.075 0.000 1.054 742 R HN 0.844 nan 8.270 nan 0.000 0.507 743 S N -0.648 114.922 115.700 -0.217 0.000 2.699 743 S HA 0.014 4.484 4.470 0.000 0.000 0.277 743 S C -0.118 174.289 174.600 -0.321 0.000 1.062 743 S CA -0.615 57.547 58.200 -0.062 0.000 1.116 743 S CB 0.187 63.379 63.200 -0.014 0.000 0.977 743 S HN 0.567 nan 8.310 nan 0.000 0.498 744 E N 1.509 121.369 120.200 -0.567 0.000 1.944 744 E HA 0.276 4.626 4.350 0.000 0.000 0.272 744 E C -1.486 174.716 176.600 -0.664 0.000 1.195 744 E CA -0.068 56.056 56.400 -0.459 0.000 0.926 744 E CB -0.049 29.432 29.700 -0.366 0.000 1.051 744 E HN 0.497 nan 8.360 nan 0.000 0.404 745 F N 3.024 122.997 119.950 0.038 0.000 2.597 745 F HA 0.279 4.806 4.527 0.000 0.000 0.336 745 F C -2.040 173.852 175.800 0.153 0.000 1.432 745 F CA -2.135 55.930 58.000 0.107 0.000 1.120 745 F CB 0.373 39.420 39.000 0.078 0.000 1.253 745 F HN 0.234 nan 8.300 nan 0.000 0.546 746 P HA 0.158 nan 4.420 nan 0.000 0.272 746 P C 0.554 178.118 177.300 0.440 0.000 1.223 746 P CA -0.115 63.146 63.100 0.269 0.000 0.784 746 P CB 1.054 32.851 31.700 0.162 0.000 0.923 747 E N -0.245 120.157 120.200 0.336 0.000 2.371 747 E HA 0.049 4.399 4.350 0.000 0.000 0.194 747 E C -0.014 176.832 176.600 0.410 0.000 1.012 747 E CA 0.422 57.020 56.400 0.331 0.000 0.860 747 E CB 0.170 29.987 29.700 0.195 0.000 0.811 747 E HN 0.532 nan 8.360 nan 0.000 0.502 748 S N -0.074 115.870 115.700 0.405 0.000 2.542 748 S HA 0.508 4.978 4.470 0.000 0.000 0.276 748 S C -1.146 173.688 174.600 0.390 0.000 1.148 748 S CA -1.201 57.212 58.200 0.355 0.000 0.886 748 S CB 1.192 64.502 63.200 0.184 0.000 1.109 748 S HN 0.334 nan 8.310 nan 0.000 0.458 749 W N 0.843 122.182 121.300 0.066 0.000 2.955 749 W HA 0.690 5.350 4.660 0.000 0.000 0.428 749 W C -0.701 175.866 176.519 0.080 0.000 1.041 749 W CA -1.094 56.265 57.345 0.025 0.000 1.220 749 W CB -0.381 29.013 29.460 -0.110 0.000 1.459 749 W HN 1.285 nan 8.180 nan 0.000 0.618 750 L N 2.002 123.350 121.223 0.209 0.000 3.677 750 L HA -0.219 4.121 4.340 0.000 0.000 0.464 750 L C -0.340 176.558 176.870 0.047 0.000 1.278 750 L CA 0.270 55.094 54.840 -0.027 0.000 0.806 750 L CB -1.236 40.467 42.059 -0.594 0.000 1.610 750 L HN 0.583 nan 8.230 nan 0.000 0.867 751 W N 4.001 125.290 121.300 -0.017 0.000 1.818 751 W HA 0.361 5.021 4.660 0.000 0.000 0.334 751 W C 0.062 176.579 176.519 -0.004 0.000 0.753 751 W CA -0.499 56.836 57.345 -0.018 0.000 1.826 751 W CB 0.127 29.592 29.460 0.009 0.000 2.001 751 W HN 0.482 nan 8.180 nan 0.000 0.324 752 N N 0.541 119.177 118.700 -0.106 0.000 3.100 752 N HA 0.531 5.271 4.740 0.000 0.000 0.344 752 N C -1.406 173.998 175.510 -0.178 0.000 1.413 752 N CA -0.747 52.250 53.050 -0.089 0.000 0.752 752 N CB 2.111 40.594 38.487 -0.008 0.000 1.519 752 N HN -0.240 nan 8.380 nan 0.000 0.620 753 V N 0.893 120.742 119.914 -0.108 0.000 2.760 753 V HA 0.399 4.519 4.120 0.000 0.000 0.309 753 V C -0.891 175.159 176.094 -0.074 0.000 1.077 753 V CA -0.645 61.587 62.300 -0.113 0.000 0.910 753 V CB 2.207 33.972 31.823 -0.097 0.000 1.008 753 V HN 0.537 nan 8.190 nan 0.000 0.424 754 E N 1.909 122.063 120.200 -0.077 0.000 2.317 754 E HA 0.574 4.924 4.350 0.000 0.000 0.270 754 E C -1.793 174.775 176.600 -0.054 0.000 0.885 754 E CA -0.753 55.613 56.400 -0.057 0.000 0.760 754 E CB 2.788 32.454 29.700 -0.058 0.000 1.227 754 E HN 0.619 nan 8.360 nan 0.000 0.434 755 D N 1.540 121.915 120.400 -0.041 0.000 2.505 755 D HA 0.349 4.989 4.640 0.000 0.000 0.249 755 D C -0.282 175.997 176.300 -0.034 0.000 1.082 755 D CA -0.465 53.512 54.000 -0.038 0.000 0.839 755 D CB 1.529 42.310 40.800 -0.031 0.000 1.317 755 D HN 0.171 nan 8.370 nan 0.000 0.497 756 L N 2.720 123.921 121.223 -0.036 0.000 2.334 756 L HA 0.302 4.642 4.340 0.000 0.000 0.286 756 L C 1.245 178.099 176.870 -0.027 0.000 1.108 756 L CA 0.016 54.836 54.840 -0.033 0.000 0.875 756 L CB 0.368 42.405 42.059 -0.037 0.000 1.246 756 L HN 0.203 nan 8.230 nan 0.000 0.439 757 K N 0.992 121.378 120.400 -0.024 0.000 2.402 757 K HA 0.155 4.475 4.320 0.000 0.000 0.204 757 K C -0.026 176.563 176.600 -0.018 0.000 1.056 757 K CA -0.338 55.937 56.287 -0.020 0.000 1.069 757 K CB 0.777 33.267 32.500 -0.017 0.000 0.888 757 K HN 0.442 nan 8.250 nan 0.000 0.546 758 E N 2.013 122.201 120.200 -0.020 0.000 2.418 758 E HA 0.019 4.369 4.350 0.000 0.000 0.261 758 E C -2.522 174.067 176.600 -0.018 0.000 1.070 758 E CA -1.669 54.720 56.400 -0.019 0.000 0.931 758 E CB -0.132 29.555 29.700 -0.021 0.000 0.954 758 E HN -0.117 nan 8.360 nan 0.000 0.439 759 P HA 0.022 nan 4.420 nan 0.000 0.256 759 P C -2.389 174.901 177.300 -0.016 0.000 1.189 759 P CA -0.606 62.486 63.100 -0.014 0.000 0.808 759 P CB -0.266 31.427 31.700 -0.013 0.000 0.793 760 P HA 0.160 nan 4.420 nan 0.000 0.271 760 P C -0.443 176.848 177.300 -0.015 0.000 1.220 760 P CA 0.221 63.311 63.100 -0.017 0.000 0.768 760 P CB 0.690 32.381 31.700 -0.016 0.000 0.848 761 K N 3.033 123.423 120.400 -0.016 0.000 2.426 761 K HA 0.276 4.596 4.320 0.000 0.000 0.254 761 K C -0.217 176.374 176.600 -0.015 0.000 0.936 761 K CA -0.693 55.585 56.287 -0.015 0.000 0.801 761 K CB 1.242 33.733 32.500 -0.014 0.000 1.139 761 K HN 0.237 nan 8.250 nan 0.000 0.424 762 N N 1.378 120.070 118.700 -0.013 0.000 2.741 762 N HA -0.193 4.547 4.740 0.000 0.000 0.251 762 N C 0.534 176.036 175.510 -0.014 0.000 1.112 762 N CA 1.521 54.563 53.050 -0.013 0.000 0.750 762 N CB -1.357 37.123 38.487 -0.013 0.000 1.119 762 N HN 1.125 nan 8.380 nan 0.000 0.561 763 G N -1.453 107.338 108.800 -0.015 0.000 2.143 763 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 763 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 763 G C -0.262 174.627 174.900 -0.019 0.000 0.991 763 G CA 0.421 45.512 45.100 -0.016 0.000 0.689 763 G HN 0.412 nan 8.290 nan 0.000 0.522 764 I N 1.388 121.946 120.570 -0.020 0.000 2.439 764 I HA 0.392 4.562 4.170 0.000 0.000 0.283 764 I C 0.306 176.407 176.117 -0.026 0.000 1.023 764 I CA -0.769 60.516 61.300 -0.024 0.000 1.100 764 I CB 1.300 39.285 38.000 -0.025 0.000 1.238 764 I HN 0.026 nan 8.210 nan 0.000 0.445 765 S N 4.313 119.995 115.700 -0.029 0.000 2.585 765 S HA 0.666 5.136 4.470 0.000 0.000 0.277 765 S C 0.219 174.797 174.600 -0.037 0.000 1.241 765 S CA -0.335 57.847 58.200 -0.030 0.000 1.041 765 S CB 1.437 64.619 63.200 -0.029 0.000 0.987 765 S HN 0.592 nan 8.310 nan 0.000 0.512 766 T N 2.762 117.294 114.554 -0.036 0.000 2.886 766 T HA 0.476 4.826 4.350 0.000 0.000 0.292 766 T C -0.731 173.944 174.700 -0.042 0.000 1.012 766 T CA -0.770 61.304 62.100 -0.043 0.000 0.982 766 T CB 1.405 70.248 68.868 -0.042 0.000 1.018 766 T HN 0.508 nan 8.240 nan 0.000 0.451 767 K N 3.275 123.646 120.400 -0.050 0.000 2.397 767 K HA 0.583 4.903 4.320 0.000 0.000 0.253 767 K C -1.295 175.275 176.600 -0.050 0.000 0.932 767 K CA -0.803 55.457 56.287 -0.045 0.000 0.795 767 K CB 1.036 33.509 32.500 -0.045 0.000 1.159 767 K HN 0.499 nan 8.250 nan 0.000 0.424 768 L N 6.034 127.232 121.223 -0.041 0.000 2.272 768 L HA 0.397 4.737 4.340 0.000 0.000 0.284 768 L C -0.182 176.667 176.870 -0.034 0.000 1.045 768 L CA -0.535 54.280 54.840 -0.042 0.000 0.842 768 L CB 0.992 43.029 42.059 -0.035 0.000 1.224 768 L HN 0.598 nan 8.230 nan 0.000 0.430 769 M N 2.812 122.389 119.600 -0.038 0.000 2.314 769 M HA 0.243 4.723 4.480 0.000 0.000 0.342 769 M C 0.037 176.321 176.300 -0.027 0.000 1.171 769 M CA 0.018 55.304 55.300 -0.024 0.000 1.098 769 M CB 1.369 33.955 32.600 -0.023 0.000 1.559 769 M HN 0.460 nan 8.290 nan 0.000 0.459 770 N N 3.755 122.444 118.700 -0.018 0.000 2.800 770 N HA 0.406 5.146 4.740 0.000 0.000 0.240 770 N C -1.173 174.297 175.510 -0.067 0.000 1.096 770 N CA -0.349 52.660 53.050 -0.068 0.000 0.877 770 N CB 0.721 39.163 38.487 -0.076 0.000 1.138 770 N HN 0.619 nan 8.380 nan 0.000 0.509 771 I N -1.093 119.449 120.570 -0.047 0.000 2.797 771 I HA 0.548 4.718 4.170 0.000 0.000 0.310 771 I C -1.026 175.038 176.117 -0.088 0.000 0.990 771 I CA -0.696 60.654 61.300 0.082 0.000 1.228 771 I CB 0.879 38.999 38.000 0.200 0.000 1.406 771 I HN 0.095 nan 8.210 nan 0.000 0.534 772 F N 3.837 123.807 119.950 0.034 0.000 2.347 772 F HA 0.501 5.028 4.527 0.000 0.000 0.366 772 F C 0.079 175.741 175.800 -0.230 0.000 1.107 772 F CA -0.552 57.405 58.000 -0.071 0.000 1.058 772 F CB 1.167 40.106 39.000 -0.102 0.000 1.236 772 F HN 0.296 nan 8.300 nan 0.000 0.456 773 L N 4.447 125.631 121.223 -0.064 0.000 2.483 773 L HA 0.064 4.404 4.340 0.000 0.000 0.276 773 L C 0.938 177.583 176.870 -0.376 0.000 1.213 773 L CA -0.285 54.422 54.840 -0.221 0.000 0.843 773 L CB 0.265 42.330 42.059 0.009 0.000 1.107 773 L HN 0.489 nan 8.230 nan 0.000 0.487 774 K N 1.579 121.584 120.400 -0.658 0.000 2.332 774 K HA 0.038 4.358 4.320 0.000 0.000 0.246 774 K C 0.346 176.841 176.600 -0.174 0.000 1.066 774 K CA -0.209 55.774 56.287 -0.507 0.000 0.898 774 K CB 0.257 32.383 32.500 -0.622 0.000 1.192 774 K HN 0.463 nan 8.250 nan 0.000 0.509 775 D N -0.209 120.047 120.400 -0.240 0.000 2.360 775 D HA 0.026 4.667 4.640 0.000 0.000 0.210 775 D C -0.168 176.134 176.300 0.004 0.000 1.047 775 D CA 0.354 54.219 54.000 -0.226 0.000 0.854 775 D CB 0.142 40.618 40.800 -0.539 0.000 0.936 775 D HN 0.157 nan 8.370 nan 0.000 0.514 776 S N 0.679 116.508 115.700 0.214 0.000 2.531 776 S HA 0.219 4.689 4.470 0.000 0.000 0.279 776 S C 0.704 175.391 174.600 0.145 0.000 1.305 776 S CA -0.305 58.139 58.200 0.405 0.000 1.058 776 S CB 0.938 64.407 63.200 0.449 0.000 0.899 776 S HN 0.118 nan 8.310 nan 0.000 0.493 777 I N 3.675 124.234 120.570 -0.019 0.000 2.269 777 I HA 0.278 4.448 4.170 0.000 0.000 0.293 777 I C 0.669 176.608 176.117 -0.297 0.000 1.106 777 I CA 0.116 61.276 61.300 -0.233 0.000 1.248 777 I CB 0.137 37.815 38.000 -0.538 0.000 1.444 777 I HN 0.612 nan 8.210 nan 0.000 0.497 778 T N 2.883 117.241 114.554 -0.327 0.000 2.661 778 T HA 0.273 4.623 4.350 0.000 0.000 0.305 778 T C -0.995 173.453 174.700 -0.420 0.000 1.535 778 T CA -0.319 61.545 62.100 -0.394 0.000 1.000 778 T CB 1.698 70.279 68.868 -0.479 0.000 1.811 778 T HN 0.274 nan 8.240 nan 0.000 0.471 779 T N 2.190 116.503 114.554 -0.402 0.000 2.788 779 T HA 0.482 4.832 4.350 0.000 0.000 0.296 779 T C -1.026 173.510 174.700 -0.274 0.000 1.009 779 T CA -0.197 61.737 62.100 -0.275 0.000 0.949 779 T CB 0.028 68.790 68.868 -0.176 0.000 0.946 779 T HN 0.410 nan 8.240 nan 0.000 0.453 780 W N 2.435 123.752 121.300 0.028 0.000 2.345 780 W HA 0.321 4.981 4.660 0.000 0.000 0.308 780 W C 0.875 177.383 176.519 -0.019 0.000 1.273 780 W CA -0.700 56.681 57.345 0.060 0.000 1.243 780 W CB 0.430 29.992 29.460 0.171 0.000 1.260 780 W HN 0.592 nan 8.180 nan 0.000 0.509 781 E N 4.802 125.118 120.200 0.194 0.000 1.993 781 E HA 0.237 4.587 4.350 0.000 0.000 0.271 781 E C -0.456 176.195 176.600 0.085 0.000 1.008 781 E CA -0.383 56.072 56.400 0.090 0.000 0.814 781 E CB 0.189 29.919 29.700 0.050 0.000 1.098 781 E HN 0.414 nan 8.360 nan 0.000 0.407 782 I N 4.725 125.346 120.570 0.084 0.000 2.441 782 I HA 0.110 4.280 4.170 0.000 0.000 0.287 782 I C -0.213 175.930 176.117 0.042 0.000 1.049 782 I CA -0.472 60.846 61.300 0.029 0.000 1.381 782 I CB 0.623 38.654 38.000 0.051 0.000 1.409 782 I HN 0.437 nan 8.210 nan 0.000 0.523 783 L N 7.118 128.338 121.223 -0.005 0.000 2.362 783 L HA 0.783 5.123 4.340 0.000 0.000 0.275 783 L C -0.417 176.423 176.870 -0.049 0.000 0.998 783 L CA -0.208 54.629 54.840 -0.005 0.000 0.820 783 L CB 1.450 43.514 42.059 0.009 0.000 1.270 783 L HN 0.679 nan 8.230 nan 0.000 0.415 784 A N 4.449 127.242 122.820 -0.046 0.000 2.355 784 A HA 0.883 5.203 4.320 0.000 0.000 0.324 784 A C -1.443 176.099 177.584 -0.071 0.000 1.117 784 A CA -0.551 51.440 52.037 -0.077 0.000 0.785 784 A CB 1.727 20.682 19.000 -0.074 0.000 1.254 784 A HN 0.545 nan 8.150 nan 0.000 0.453 785 V N 2.193 122.051 119.914 -0.092 0.000 2.524 785 V HA 0.456 4.576 4.120 0.000 0.000 0.297 785 V C 0.125 176.171 176.094 -0.079 0.000 1.035 785 V CA -0.423 61.831 62.300 -0.078 0.000 0.867 785 V CB 1.576 33.348 31.823 -0.085 0.000 1.004 785 V HN 1.106 nan 8.190 nan 0.000 0.426 786 S N 4.433 120.096 115.700 -0.061 0.000 2.585 786 S HA 0.841 5.311 4.470 0.000 0.000 0.277 786 S C -0.462 174.109 174.600 -0.048 0.000 1.241 786 S CA -0.660 57.506 58.200 -0.056 0.000 1.041 786 S CB 1.812 64.983 63.200 -0.048 0.000 0.987 786 S HN 0.705 nan 8.310 nan 0.000 0.512 787 M N 3.148 122.720 119.600 -0.047 0.000 1.949 787 M HA 0.404 4.884 4.480 0.000 0.000 0.234 787 M C -0.546 175.734 176.300 -0.033 0.000 0.855 787 M CA -0.158 55.119 55.300 -0.039 0.000 0.800 787 M CB 1.140 33.715 32.600 -0.042 0.000 1.697 787 M HN 0.760 nan 8.290 nan 0.000 0.357 788 S N 1.183 116.866 115.700 -0.029 0.000 2.499 788 S HA 0.314 4.785 4.470 0.000 0.000 0.279 788 S C 0.918 175.505 174.600 -0.021 0.000 1.219 788 S CA -0.349 57.836 58.200 -0.025 0.000 1.062 788 S CB 0.627 63.813 63.200 -0.024 0.000 0.978 788 S HN 0.740 nan 8.310 nan 0.000 0.489 789 D N 4.633 125.021 120.400 -0.019 0.000 2.264 789 D HA -0.081 4.559 4.640 0.000 0.000 0.208 789 D C 1.130 177.421 176.300 -0.015 0.000 0.966 789 D CA 1.210 55.200 54.000 -0.016 0.000 0.864 789 D CB 0.096 40.886 40.800 -0.015 0.000 0.933 789 D HN 0.555 nan 8.370 nan 0.000 0.499 790 K N 0.004 120.395 120.400 -0.015 0.000 2.159 790 K HA 0.076 4.396 4.320 0.000 0.000 0.210 790 K C 2.084 178.676 176.600 -0.014 0.000 1.026 790 K CA 0.021 56.300 56.287 -0.014 0.000 0.959 790 K CB 0.178 32.670 32.500 -0.014 0.000 0.890 790 K HN -0.148 nan 8.250 nan 0.000 0.459 791 K N 0.439 120.830 120.400 -0.015 0.000 1.965 791 K HA -0.007 4.313 4.320 0.000 0.000 0.214 791 K C 1.407 177.998 176.600 -0.015 0.000 1.046 791 K CA 1.710 57.988 56.287 -0.015 0.000 0.944 791 K CB -0.420 32.070 32.500 -0.017 0.000 0.726 791 K HN 0.458 nan 8.250 nan 0.000 0.441 792 G N 0.167 108.956 108.800 -0.017 0.000 2.291 792 G HA2 -0.010 3.950 3.960 0.000 0.000 0.249 792 G HA3 -0.010 3.950 3.960 0.000 0.000 0.249 792 G C -1.394 173.494 174.900 -0.019 0.000 1.340 792 G CA -0.354 44.736 45.100 -0.017 0.000 1.017 792 G HN 0.226 nan 8.290 nan 0.000 0.470 793 I N 0.028 120.587 120.570 -0.018 0.000 2.440 793 I HA 0.674 4.844 4.170 0.000 0.000 0.294 793 I C -0.426 175.679 176.117 -0.019 0.000 0.995 793 I CA -0.715 60.572 61.300 -0.021 0.000 1.306 793 I CB 1.249 39.239 38.000 -0.018 0.000 1.407 793 I HN 0.931 nan 8.210 nan 0.000 0.501 794 C N 8.096 127.382 119.300 -0.023 0.000 2.947 794 C HA 0.442 4.902 4.460 0.000 0.000 0.401 794 C C -0.886 174.089 174.990 -0.025 0.000 1.019 794 C CA -0.598 58.407 59.018 -0.021 0.000 1.230 794 C CB 0.342 28.070 27.740 -0.021 0.000 1.644 794 C HN 0.662 nan 8.230 nan 0.000 0.523 795 V N 4.384 124.287 119.914 -0.019 0.000 2.465 795 V HA 0.868 4.988 4.120 0.000 0.000 0.279 795 V C 0.702 176.787 176.094 -0.015 0.000 1.045 795 V CA 0.276 62.564 62.300 -0.020 0.000 0.938 795 V CB 0.879 32.694 31.823 -0.013 0.000 0.986 795 V HN 1.413 nan 8.190 nan 0.000 0.467 796 A N 3.481 126.290 122.820 -0.019 0.000 2.296 796 A HA 0.510 4.830 4.320 0.000 0.000 0.264 796 A C 0.079 177.668 177.584 0.007 0.000 1.097 796 A CA -0.471 51.559 52.037 -0.011 0.000 0.811 796 A CB 0.019 19.006 19.000 -0.023 0.000 1.072 796 A HN 0.936 nan 8.150 nan 0.000 0.495 797 D N 0.980 121.392 120.400 0.020 0.000 2.345 797 D HA 0.416 5.056 4.640 0.000 0.000 0.247 797 D C -2.307 174.034 176.300 0.068 0.000 1.108 797 D CA -0.800 53.223 54.000 0.038 0.000 0.894 797 D CB 0.079 40.904 40.800 0.042 0.000 1.203 797 D HN 0.174 nan 8.370 nan 0.000 0.430 798 P HA 0.024 nan 4.420 nan 0.000 0.262 798 P C -0.672 176.707 177.300 0.132 0.000 1.199 798 P CA -0.028 63.119 63.100 0.078 0.000 0.763 798 P CB -0.011 31.715 31.700 0.042 0.000 0.790 799 F N 3.694 123.642 119.950 -0.002 0.000 2.332 799 F HA 0.252 4.779 4.527 0.000 0.000 0.368 799 F C 0.392 176.206 175.800 0.023 0.000 1.110 799 F CA -0.777 57.226 58.000 0.004 0.000 1.087 799 F CB 0.682 39.678 39.000 -0.005 0.000 1.235 799 F HN 0.245 nan 8.300 nan 0.000 0.470 800 E N 4.051 123.969 120.200 -0.470 0.000 2.343 800 E HA 0.450 4.800 4.350 0.000 0.000 0.269 800 E C -1.081 175.184 176.600 -0.557 0.000 1.047 800 E CA -0.633 55.548 56.400 -0.366 0.000 0.874 800 E CB 2.008 31.573 29.700 -0.225 0.000 1.033 800 E HN 0.369 nan 8.360 nan 0.000 0.409 801 V N 2.939 122.721 119.914 -0.221 0.000 2.462 801 V HA 0.122 4.242 4.120 0.000 0.000 0.288 801 V C -0.339 175.752 176.094 -0.005 0.000 1.020 801 V CA -0.775 61.462 62.300 -0.105 0.000 0.857 801 V CB 1.697 33.578 31.823 0.097 0.000 1.013 801 V HN 0.681 nan 8.190 nan 0.000 0.431 802 T N 4.544 119.060 114.554 -0.063 0.000 2.814 802 T HA 0.412 4.763 4.350 0.000 0.000 0.297 802 T C -0.025 174.659 174.700 -0.026 0.000 0.956 802 T CA -0.033 62.024 62.100 -0.071 0.000 1.123 802 T CB 1.094 69.904 68.868 -0.097 0.000 0.902 802 T HN 0.353 nan 8.240 nan 0.000 0.528 803 V N 5.676 125.565 119.914 -0.042 0.000 2.349 803 V HA 0.493 4.613 4.120 0.000 0.000 0.284 803 V C -0.152 175.874 176.094 -0.114 0.000 1.014 803 V CA -0.645 61.649 62.300 -0.010 0.000 0.826 803 V CB 1.139 33.032 31.823 0.116 0.000 1.009 803 V HN 0.854 nan 8.190 nan 0.000 0.431 804 M N 3.598 123.127 119.600 -0.118 0.000 2.690 804 M HA 0.643 5.123 4.480 0.000 0.000 0.302 804 M C -1.326 174.909 176.300 -0.108 0.000 1.234 804 M CA -0.535 54.646 55.300 -0.199 0.000 0.853 804 M CB 2.904 35.379 32.600 -0.208 0.000 1.748 804 M HN 0.698 nan 8.290 nan 0.000 0.469 805 Q N 0.763 120.506 119.800 -0.095 0.000 2.389 805 Q HA 0.241 4.581 4.340 0.000 0.000 0.277 805 Q C -0.747 175.440 176.000 0.311 0.000 1.082 805 Q CA -0.682 55.182 55.803 0.102 0.000 0.810 805 Q CB 2.061 30.867 28.738 0.114 0.000 1.374 805 Q HN 0.788 nan 8.270 nan 0.000 0.422 806 D N 1.616 122.193 120.400 0.295 0.000 2.103 806 D HA -0.113 4.527 4.640 0.000 0.000 0.190 806 D C -0.033 176.556 176.300 0.482 0.000 0.997 806 D CA 1.652 55.863 54.000 0.351 0.000 0.833 806 D CB 0.048 41.003 40.800 0.258 0.000 0.961 806 D HN 0.357 nan 8.370 nan 0.000 0.447 807 F N 0.450 120.573 119.950 0.288 0.000 2.493 807 F HA 0.452 4.979 4.527 0.000 0.000 0.329 807 F C -1.211 174.786 175.800 0.327 0.000 1.126 807 F CA -1.131 56.998 58.000 0.214 0.000 0.937 807 F CB 1.013 40.072 39.000 0.099 0.000 1.146 807 F HN -0.122 nan 8.300 nan 0.000 0.442 808 F N 4.732 124.333 119.950 -0.581 0.000 2.741 808 F HA 0.735 5.262 4.527 0.000 0.000 0.313 808 F C -2.098 173.461 175.800 -0.401 0.000 1.153 808 F CA -1.711 56.049 58.000 -0.400 0.000 0.931 808 F CB 1.013 39.970 39.000 -0.072 0.000 1.335 808 F HN 0.240 nan 8.300 nan 0.000 0.460 809 I N 1.516 122.069 120.570 -0.029 0.000 2.404 809 I HA 0.308 4.478 4.170 0.000 0.000 0.293 809 I C -1.181 175.052 176.117 0.193 0.000 0.992 809 I CA -0.502 60.779 61.300 -0.031 0.000 1.149 809 I CB 1.669 39.656 38.000 -0.022 0.000 1.315 809 I HN 0.566 nan 8.210 nan 0.000 0.446 810 D N 6.675 127.185 120.400 0.185 0.000 2.479 810 D HA 0.239 4.879 4.640 0.000 0.000 0.247 810 D C -0.978 175.372 176.300 0.082 0.000 1.119 810 D CA -0.507 53.627 54.000 0.222 0.000 0.922 810 D CB 0.748 41.818 40.800 0.449 0.000 1.014 810 D HN 0.189 nan 8.370 nan 0.000 0.510 811 L N 4.019 125.243 121.223 0.001 0.000 2.315 811 L HA 0.383 4.723 4.340 0.000 0.000 0.283 811 L C -0.249 176.587 176.870 -0.056 0.000 1.089 811 L CA 0.080 54.901 54.840 -0.032 0.000 0.833 811 L CB 0.219 42.238 42.059 -0.067 0.000 1.170 811 L HN 0.205 nan 8.230 nan 0.000 0.442 812 R N 5.500 125.988 120.500 -0.019 0.000 2.310 812 R HA 0.594 4.934 4.340 0.000 0.000 0.324 812 R C -1.352 174.939 176.300 -0.015 0.000 0.955 812 R CA -0.890 55.200 56.100 -0.018 0.000 0.830 812 R CB 1.292 31.598 30.300 0.010 0.000 1.154 812 R HN 0.401 nan 8.270 nan 0.000 0.458 813 L N 3.828 125.037 121.223 -0.023 0.000 2.346 813 L HA 0.524 4.864 4.340 0.000 0.000 0.274 813 L C -1.898 174.980 176.870 0.013 0.000 1.007 813 L CA -2.054 52.779 54.840 -0.013 0.000 0.818 813 L CB 0.994 43.033 42.059 -0.032 0.000 1.284 813 L HN 0.432 nan 8.230 nan 0.000 0.424 814 P HA 0.010 nan 4.420 nan 0.000 0.271 814 P C 0.266 177.618 177.300 0.087 0.000 1.238 814 P CA -0.146 62.990 63.100 0.061 0.000 0.794 814 P CB 0.369 32.104 31.700 0.058 0.000 0.959 815 Y N 0.659 120.965 120.300 0.010 0.000 2.181 815 Y HA -0.110 4.440 4.550 0.000 0.000 0.288 815 Y C 0.598 176.514 175.900 0.027 0.000 1.146 815 Y CA 1.809 59.919 58.100 0.017 0.000 1.164 815 Y CB 0.180 38.647 38.460 0.013 0.000 0.982 815 Y HN 0.403 nan 8.280 nan 0.000 0.515 816 S N -0.350 115.412 115.700 0.104 0.000 2.535 816 S HA 0.588 5.058 4.470 0.000 0.000 0.272 816 S C -1.257 173.387 174.600 0.073 0.000 1.149 816 S CA -0.444 57.776 58.200 0.033 0.000 0.888 816 S CB 1.391 64.648 63.200 0.094 0.000 1.110 816 S HN 0.559 nan 8.310 nan 0.000 0.463 817 V N -0.157 119.790 119.914 0.054 0.000 2.604 817 V HA 0.845 4.965 4.120 0.000 0.000 0.305 817 V C -0.124 176.000 176.094 0.051 0.000 1.043 817 V CA -0.967 61.373 62.300 0.067 0.000 0.888 817 V CB 1.265 33.141 31.823 0.088 0.000 0.995 817 V HN 0.844 nan 8.190 nan 0.000 0.429 818 V N 4.136 124.081 119.914 0.052 0.000 2.637 818 V HA 0.275 4.395 4.120 0.000 0.000 0.296 818 V C 0.949 177.055 176.094 0.020 0.000 1.046 818 V CA -0.170 62.151 62.300 0.034 0.000 1.066 818 V CB 0.796 32.643 31.823 0.041 0.000 0.968 818 V HN 1.088 nan 8.190 nan 0.000 0.483 819 R N 4.487 124.981 120.500 -0.010 0.000 2.643 819 R HA 0.052 4.392 4.340 0.000 0.000 0.270 819 R C 0.806 177.101 176.300 -0.008 0.000 1.061 819 R CA 0.271 56.355 56.100 -0.027 0.000 1.107 819 R CB 0.045 30.311 30.300 -0.058 0.000 0.999 819 R HN 0.877 nan 8.270 nan 0.000 0.460 820 N N 0.471 119.166 118.700 -0.008 0.000 2.936 820 N HA -0.188 4.552 4.740 0.000 0.000 0.236 820 N C -1.368 174.149 175.510 0.012 0.000 0.930 820 N CA 1.689 54.741 53.050 0.004 0.000 0.966 820 N CB -0.821 37.673 38.487 0.012 0.000 1.090 820 N HN 0.719 nan 8.380 nan 0.000 0.592 821 E N 0.792 121.006 120.200 0.023 0.000 2.156 821 E HA 0.178 4.528 4.350 0.000 0.000 0.279 821 E C 0.081 176.702 176.600 0.035 0.000 0.965 821 E CA -0.404 56.020 56.400 0.038 0.000 0.789 821 E CB 1.328 31.064 29.700 0.060 0.000 1.098 821 E HN 0.140 nan 8.360 nan 0.000 0.397 822 Q N 3.527 123.324 119.800 -0.007 0.000 2.296 822 Q HA 0.188 4.528 4.340 0.000 0.000 0.263 822 Q C -0.389 175.650 176.000 0.064 0.000 1.026 822 Q CA -0.388 55.353 55.803 -0.103 0.000 0.912 822 Q CB 0.506 29.003 28.738 -0.401 0.000 1.198 822 Q HN 0.452 nan 8.270 nan 0.000 0.407 823 V N 0.807 120.791 119.914 0.117 0.000 3.229 823 V HA 0.667 4.787 4.120 0.000 0.000 0.310 823 V C -0.844 175.407 176.094 0.262 0.000 1.206 823 V CA -0.892 61.557 62.300 0.248 0.000 1.051 823 V CB 1.896 33.809 31.823 0.149 0.000 1.183 823 V HN 0.856 nan 8.190 nan 0.000 0.466 824 E N 0.865 121.199 120.200 0.223 0.000 2.302 824 E HA 0.501 4.851 4.350 0.000 0.000 0.263 824 E C -1.051 175.614 176.600 0.108 0.000 0.897 824 E CA -0.737 55.774 56.400 0.184 0.000 0.809 824 E CB 1.736 31.564 29.700 0.215 0.000 1.270 824 E HN 0.884 nan 8.360 nan 0.000 0.410 825 I N 1.142 121.770 120.570 0.096 0.000 2.499 825 I HA 0.579 4.749 4.170 0.000 0.000 0.296 825 I C -0.406 175.778 176.117 0.112 0.000 0.992 825 I CA -0.962 60.380 61.300 0.070 0.000 1.297 825 I CB 1.072 39.079 38.000 0.012 0.000 1.410 825 I HN 0.222 nan 8.210 nan 0.000 0.507 826 R N 4.955 125.502 120.500 0.077 0.000 2.310 826 R HA 0.602 4.942 4.340 0.000 0.000 0.324 826 R C -0.862 175.485 176.300 0.078 0.000 0.955 826 R CA -0.810 55.337 56.100 0.078 0.000 0.830 826 R CB 1.589 31.913 30.300 0.040 0.000 1.154 826 R HN 0.857 nan 8.270 nan 0.000 0.458 827 A N 3.640 126.535 122.820 0.126 0.000 2.322 827 A HA 0.423 4.743 4.320 0.000 0.000 0.327 827 A C -0.099 177.498 177.584 0.021 0.000 1.394 827 A CA -0.628 51.467 52.037 0.096 0.000 0.921 827 A CB 0.631 19.742 19.000 0.185 0.000 1.153 827 A HN 0.407 nan 8.150 nan 0.000 0.523 828 V N 4.076 123.965 119.914 -0.041 0.000 2.406 828 V HA 0.222 4.342 4.120 0.000 0.000 0.272 828 V C -0.397 175.520 176.094 -0.295 0.000 1.043 828 V CA -0.243 61.939 62.300 -0.198 0.000 0.915 828 V CB 0.862 32.520 31.823 -0.275 0.000 0.988 828 V HN 0.685 nan 8.190 nan 0.000 0.466 829 L N 6.669 127.687 121.223 -0.341 0.000 2.255 829 L HA 0.451 4.791 4.340 0.000 0.000 0.289 829 L C -0.393 176.153 176.870 -0.539 0.000 1.046 829 L CA 0.022 54.635 54.840 -0.379 0.000 0.816 829 L CB 0.334 42.300 42.059 -0.155 0.000 1.197 829 L HN 0.459 nan 8.230 nan 0.000 0.427 830 Y N 2.084 121.970 120.300 -0.689 0.000 2.310 830 Y HA 0.394 4.944 4.550 0.000 0.000 0.326 830 Y C 0.713 176.317 175.900 -0.495 0.000 1.151 830 Y CA -0.233 57.447 58.100 -0.700 0.000 1.195 830 Y CB 1.103 38.960 38.460 -1.005 0.000 1.210 830 Y HN 0.526 nan 8.280 nan 0.000 0.483 831 N N 2.175 120.749 118.700 -0.209 0.000 2.664 831 N HA 0.146 4.886 4.740 0.000 0.000 0.257 831 N C -1.381 174.080 175.510 -0.080 0.000 1.108 831 N CA -0.531 52.519 53.050 -0.001 0.000 0.822 831 N CB 0.002 38.525 38.487 0.060 0.000 1.199 831 N HN 0.509 nan 8.380 nan 0.000 0.529 832 Y N 1.005 121.399 120.300 0.156 0.000 2.495 832 Y HA 0.302 4.852 4.550 0.000 0.000 0.293 832 Y C 0.651 176.620 175.900 0.115 0.000 1.186 832 Y CA -0.242 57.943 58.100 0.141 0.000 1.266 832 Y CB 0.105 38.665 38.460 0.165 0.000 1.101 832 Y HN 0.155 nan 8.280 nan 0.000 0.517 833 R N 0.848 121.465 120.500 0.195 0.000 2.449 833 R HA -0.041 4.299 4.340 0.000 0.000 0.296 833 R C 1.338 177.701 176.300 0.105 0.000 1.047 833 R CA -0.097 56.083 56.100 0.134 0.000 1.018 833 R CB 0.708 31.057 30.300 0.080 0.000 0.962 833 R HN 0.263 nan 8.270 nan 0.000 0.428 834 Q N 3.012 122.873 119.800 0.101 0.000 1.998 834 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 834 Q C -0.340 175.697 176.000 0.061 0.000 1.002 834 Q CA 2.259 58.112 55.803 0.084 0.000 0.858 834 Q CB 0.038 28.819 28.738 0.072 0.000 0.932 834 Q HN 0.754 nan 8.270 nan 0.000 0.416 835 N N -0.473 118.257 118.700 0.050 0.000 2.750 835 N HA 0.333 5.073 4.740 0.000 0.000 0.253 835 N C -1.794 173.734 175.510 0.029 0.000 1.408 835 N CA -0.537 52.534 53.050 0.036 0.000 0.780 835 N CB 1.334 39.841 38.487 0.033 0.000 1.191 835 N HN 0.063 nan 8.380 nan 0.000 0.511 836 Q N 0.834 120.647 119.800 0.021 0.000 2.487 836 Q HA 0.134 4.474 4.340 0.000 0.000 0.234 836 Q C -1.482 174.510 176.000 -0.013 0.000 0.828 836 Q CA -0.438 55.369 55.803 0.007 0.000 0.907 836 Q CB 0.900 29.637 28.738 -0.001 0.000 1.462 836 Q HN 0.551 nan 8.270 nan 0.000 0.442 837 E N 3.793 123.988 120.200 -0.010 0.000 2.404 837 E HA 0.440 4.791 4.350 0.000 0.000 0.261 837 E C -0.748 175.831 176.600 -0.035 0.000 1.074 837 E CA -0.392 55.997 56.400 -0.018 0.000 0.917 837 E CB 1.050 30.742 29.700 -0.014 0.000 0.965 837 E HN 0.532 nan 8.360 nan 0.000 0.433 838 L N 1.975 123.172 121.223 -0.044 0.000 2.362 838 L HA 0.381 4.721 4.340 0.000 0.000 0.275 838 L C -0.117 176.739 176.870 -0.022 0.000 0.998 838 L CA -0.983 53.813 54.840 -0.074 0.000 0.820 838 L CB 1.921 43.876 42.059 -0.174 0.000 1.270 838 L HN 0.611 nan 8.230 nan 0.000 0.415 839 K N 3.213 123.638 120.400 0.042 0.000 2.257 839 K HA 0.465 4.785 4.320 0.000 0.000 0.270 839 K C -1.106 175.602 176.600 0.181 0.000 1.098 839 K CA -0.385 55.949 56.287 0.079 0.000 0.943 839 K CB 0.711 33.248 32.500 0.062 0.000 1.316 839 K HN 0.377 nan 8.250 nan 0.000 0.447 840 V N 3.786 123.755 119.914 0.092 0.000 2.612 840 V HA 0.395 4.515 4.120 0.000 0.000 0.301 840 V C 0.142 176.330 176.094 0.158 0.000 1.046 840 V CA -0.872 61.485 62.300 0.095 0.000 0.946 840 V CB 1.538 33.413 31.823 0.086 0.000 1.003 840 V HN 0.671 nan 8.190 nan 0.000 0.459 841 R N 2.609 123.201 120.500 0.153 0.000 2.494 841 R HA 0.501 4.842 4.340 0.000 0.000 0.284 841 R C -0.974 175.385 176.300 0.099 0.000 1.525 841 R CA -0.266 55.917 56.100 0.139 0.000 1.460 841 R CB 1.360 31.767 30.300 0.179 0.000 1.134 841 R HN 0.626 nan 8.270 nan 0.000 0.592 842 V N 2.267 122.249 119.914 0.113 0.000 2.811 842 V HA 0.253 4.373 4.120 0.000 0.000 0.302 842 V C -0.322 175.855 176.094 0.138 0.000 1.063 842 V CA 0.340 62.723 62.300 0.138 0.000 1.088 842 V CB 1.456 33.384 31.823 0.174 0.000 0.982 842 V HN 0.800 nan 8.190 nan 0.000 0.485 843 E N 4.307 124.584 120.200 0.128 0.000 2.356 843 E HA 0.472 4.822 4.350 0.000 0.000 0.275 843 E C -2.022 174.610 176.600 0.053 0.000 0.904 843 E CA -0.996 55.475 56.400 0.118 0.000 0.757 843 E CB 2.020 31.766 29.700 0.076 0.000 1.232 843 E HN 0.644 nan 8.360 nan 0.000 0.442 844 L N 4.740 125.993 121.223 0.051 0.000 2.280 844 L HA 0.374 4.714 4.340 0.000 0.000 0.287 844 L C -1.431 175.429 176.870 -0.018 0.000 1.023 844 L CA -0.492 54.268 54.840 -0.133 0.000 0.819 844 L CB 0.788 42.633 42.059 -0.356 0.000 1.212 844 L HN 0.547 nan 8.230 nan 0.000 0.420 845 L N 4.477 125.680 121.223 -0.034 0.000 2.483 845 L HA 0.178 4.518 4.340 0.000 0.000 0.276 845 L C 0.323 177.225 176.870 0.053 0.000 1.213 845 L CA 0.351 55.209 54.840 0.030 0.000 0.843 845 L CB -0.101 41.971 42.059 0.022 0.000 1.107 845 L HN 0.662 nan 8.230 nan 0.000 0.487 846 H N 2.375 121.460 119.070 0.025 0.000 2.690 846 H HA 0.378 4.934 4.556 0.000 0.000 0.365 846 H C -0.409 174.956 175.328 0.062 0.000 1.142 846 H CA 0.111 56.184 56.048 0.042 0.000 1.417 846 H CB 0.562 30.353 29.762 0.048 0.000 1.446 846 H HN 0.582 nan 8.280 nan 0.000 0.599 847 N N 4.011 122.299 118.700 -0.687 0.000 2.578 847 N HA 0.173 4.913 4.740 0.000 0.000 0.282 847 N C -2.483 172.791 175.510 -0.393 0.000 1.119 847 N CA -1.845 51.011 53.050 -0.324 0.000 0.948 847 N CB 1.750 40.277 38.487 0.066 0.000 1.546 847 N HN 0.344 nan 8.380 nan 0.000 0.525 848 P HA -0.049 nan 4.420 nan 0.000 0.220 848 P C 0.748 177.989 177.300 -0.098 0.000 1.144 848 P CA 1.059 64.117 63.100 -0.070 0.000 0.800 848 P CB 0.306 32.033 31.700 0.045 0.000 0.772 849 A N -2.597 120.130 122.820 -0.154 0.000 2.119 849 A HA 0.055 4.375 4.320 0.000 0.000 0.216 849 A C 0.658 177.880 177.584 -0.602 0.000 1.152 849 A CA 0.876 52.697 52.037 -0.360 0.000 0.708 849 A CB -0.717 18.015 19.000 -0.448 0.000 0.805 849 A HN 0.089 nan 8.150 nan 0.000 0.460 850 F N -3.239 116.644 119.950 -0.113 0.000 2.618 850 F HA 0.536 5.063 4.527 0.000 0.000 0.332 850 F C 0.025 175.761 175.800 -0.107 0.000 1.061 850 F CA -1.178 56.760 58.000 -0.103 0.000 0.974 850 F CB 1.501 40.434 39.000 -0.112 0.000 1.310 850 F HN -0.168 nan 8.300 nan 0.000 0.491 851 c N 2.677 121.354 118.600 0.128 0.000 2.521 851 c HA 0.708 5.278 4.570 0.000 0.000 0.291 851 c C -0.118 173.977 174.090 0.008 0.000 1.074 851 c CA -0.356 55.998 56.329 0.042 0.000 1.495 851 c CB -1.596 40.921 42.510 0.012 0.000 1.862 851 c HN 0.821 nan 8.230 nan 0.000 0.418 852 S N 4.238 119.935 115.700 -0.004 0.000 2.753 852 S HA 0.590 5.060 4.470 0.000 0.000 0.302 852 S C 0.581 175.143 174.600 -0.063 0.000 1.104 852 S CA -0.738 57.420 58.200 -0.069 0.000 0.968 852 S CB 0.669 63.807 63.200 -0.102 0.000 1.278 852 S HN 0.588 nan 8.310 nan 0.000 0.549 853 L N 0.501 121.629 121.223 -0.157 0.000 2.599 853 L HA 0.327 4.668 4.340 0.000 0.000 0.230 853 L C 0.870 177.784 176.870 0.073 0.000 1.141 853 L CA 0.103 54.908 54.840 -0.059 0.000 0.877 853 L CB -0.653 41.366 42.059 -0.067 0.000 1.009 853 L HN 0.720 nan 8.230 nan 0.000 0.447 854 A N 0.310 123.187 122.820 0.095 0.000 2.258 854 A HA 0.567 4.887 4.320 0.000 0.000 0.316 854 A C 0.444 178.193 177.584 0.274 0.000 1.279 854 A CA -0.387 51.764 52.037 0.190 0.000 0.876 854 A CB 0.404 19.529 19.000 0.208 0.000 1.170 854 A HN 0.233 nan 8.150 nan 0.000 0.520 855 T N -1.263 113.380 114.554 0.148 0.000 2.855 855 T HA 0.462 4.812 4.350 0.000 0.000 0.275 855 T C 1.252 175.715 174.700 -0.395 0.000 1.022 855 T CA 0.445 62.536 62.100 -0.015 0.000 0.977 855 T CB 0.314 69.162 68.868 -0.032 0.000 1.559 855 T HN 0.836 nan 8.240 nan 0.000 0.600 856 T N -2.386 111.835 114.554 -0.556 0.000 3.113 856 T HA 0.256 4.606 4.350 0.000 0.000 0.256 856 T C 1.117 175.719 174.700 -0.164 0.000 1.131 856 T CA 0.171 62.009 62.100 -0.436 0.000 1.074 856 T CB -0.284 68.386 68.868 -0.329 0.000 0.944 856 T HN 0.652 nan 8.240 nan 0.000 0.516 857 K N -0.452 119.884 120.400 -0.107 0.000 2.491 857 K HA 0.299 4.620 4.320 0.000 0.000 0.211 857 K C 0.684 177.276 176.600 -0.014 0.000 1.210 857 K CA -0.356 55.906 56.287 -0.043 0.000 1.003 857 K CB 1.138 33.620 32.500 -0.030 0.000 1.009 857 K HN 0.140 nan 8.250 nan 0.000 0.577 858 R N 1.359 121.855 120.500 -0.006 0.000 2.664 858 R HA 0.364 4.704 4.340 0.000 0.000 0.286 858 R C -1.045 175.294 176.300 0.065 0.000 0.967 858 R CA -0.581 55.538 56.100 0.033 0.000 0.933 858 R CB 1.228 31.555 30.300 0.044 0.000 1.146 858 R HN -0.091 nan 8.270 nan 0.000 0.468 859 R N 2.628 123.175 120.500 0.079 0.000 2.310 859 R HA 0.140 4.481 4.340 0.000 0.000 0.316 859 R C -0.672 175.709 176.300 0.134 0.000 1.004 859 R CA -0.636 55.525 56.100 0.103 0.000 0.900 859 R CB 1.037 31.379 30.300 0.070 0.000 1.152 859 R HN 0.542 nan 8.270 nan 0.000 0.513 860 H N 5.404 124.530 119.070 0.093 0.000 3.232 860 H HA 0.022 4.578 4.556 0.000 0.000 0.254 860 H C -0.849 174.566 175.328 0.145 0.000 1.213 860 H CA 0.457 56.575 56.048 0.117 0.000 1.503 860 H CB 0.474 30.320 29.762 0.140 0.000 1.563 860 H HN 0.623 nan 8.280 nan 0.000 0.490 861 Q N 3.706 123.405 119.800 -0.168 0.000 2.379 861 Q HA 0.423 4.763 4.340 0.000 0.000 0.278 861 Q C -1.506 174.406 176.000 -0.146 0.000 1.068 861 Q CA -1.268 54.478 55.803 -0.094 0.000 0.816 861 Q CB 2.155 30.902 28.738 0.015 0.000 1.387 861 Q HN 0.389 nan 8.270 nan 0.000 0.413 862 Q N 0.413 120.149 119.800 -0.107 0.000 2.359 862 Q HA 0.631 4.971 4.340 0.000 0.000 0.275 862 Q C -1.124 174.835 176.000 -0.068 0.000 1.082 862 Q CA -0.546 55.182 55.803 -0.126 0.000 0.849 862 Q CB 2.543 31.188 28.738 -0.155 0.000 1.377 862 Q HN 0.671 nan 8.270 nan 0.000 0.452 863 T N 1.005 115.481 114.554 -0.129 0.000 2.934 863 T HA 0.570 4.920 4.350 0.000 0.000 0.328 863 T C -0.738 173.882 174.700 -0.133 0.000 1.068 863 T CA -0.596 61.454 62.100 -0.085 0.000 1.018 863 T CB 0.209 69.025 68.868 -0.088 0.000 1.009 863 T HN 0.455 nan 8.240 nan 0.000 0.471 864 V N 0.828 120.705 119.914 -0.063 0.000 3.113 864 V HA 0.893 5.013 4.120 0.000 0.000 0.316 864 V C -0.307 175.765 176.094 -0.036 0.000 1.125 864 V CA -0.877 61.385 62.300 -0.062 0.000 1.026 864 V CB 2.154 33.951 31.823 -0.044 0.000 1.080 864 V HN 0.598 nan 8.190 nan 0.000 0.444 865 T N 3.258 117.786 114.554 -0.043 0.000 2.864 865 T HA 0.590 4.940 4.350 0.000 0.000 0.310 865 T C -0.234 174.446 174.700 -0.033 0.000 1.040 865 T CA -0.004 62.075 62.100 -0.034 0.000 0.977 865 T CB 0.417 69.260 68.868 -0.042 0.000 0.976 865 T HN 0.603 nan 8.240 nan 0.000 0.459 866 I N 5.660 126.219 120.570 -0.017 0.000 2.352 866 I HA 0.258 4.428 4.170 0.000 0.000 0.290 866 I C -2.081 174.021 176.117 -0.026 0.000 1.036 866 I CA -2.416 58.871 61.300 -0.021 0.000 1.336 866 I CB 0.915 38.923 38.000 0.012 0.000 1.407 866 I HN 0.254 nan 8.210 nan 0.000 0.497 867 P HA 0.110 nan 4.420 nan 0.000 0.270 867 P C -2.486 174.801 177.300 -0.021 0.000 1.223 867 P CA -1.009 62.072 63.100 -0.032 0.000 0.785 867 P CB -0.228 31.446 31.700 -0.044 0.000 0.923 868 P HA 0.030 nan 4.420 nan 0.000 0.268 868 P C -0.485 176.820 177.300 0.008 0.000 1.205 868 P CA 0.269 63.373 63.100 0.006 0.000 0.771 868 P CB 0.042 31.752 31.700 0.015 0.000 0.858 869 K N -0.099 120.306 120.400 0.008 0.000 3.257 869 K HA -0.109 4.211 4.320 0.000 0.000 0.270 869 K C -0.040 176.537 176.600 -0.038 0.000 0.984 869 K CA 0.738 57.025 56.287 0.000 0.000 0.739 869 K CB -2.011 30.526 32.500 0.061 0.000 1.351 869 K HN 0.772 nan 8.250 nan 0.000 0.463 870 S N -1.952 113.684 115.700 -0.107 0.000 2.727 870 S HA 0.744 5.214 4.470 0.000 0.000 0.278 870 S C -0.748 173.744 174.600 -0.180 0.000 1.186 870 S CA -0.344 57.808 58.200 -0.080 0.000 0.836 870 S CB 2.318 65.521 63.200 0.005 0.000 1.186 870 S HN 0.462 nan 8.310 nan 0.000 0.499 871 S N -0.104 115.493 115.700 -0.172 0.000 2.627 871 S HA 0.859 5.329 4.470 0.000 0.000 0.283 871 S C -1.614 172.843 174.600 -0.239 0.000 1.127 871 S CA -0.793 57.201 58.200 -0.344 0.000 0.863 871 S CB 1.469 64.246 63.200 -0.706 0.000 1.121 871 S HN 1.484 nan 8.310 nan 0.000 0.479 872 L N 1.169 122.229 121.223 -0.271 0.000 2.436 872 L HA 0.744 5.084 4.340 0.000 0.000 0.268 872 L C -0.511 176.256 176.870 -0.172 0.000 0.974 872 L CA -0.164 54.576 54.840 -0.168 0.000 0.826 872 L CB 2.159 44.154 42.059 -0.107 0.000 1.291 872 L HN 0.921 nan 8.230 nan 0.000 0.406 873 S N 3.678 119.306 115.700 -0.121 0.000 2.475 873 S HA 0.677 5.147 4.470 0.000 0.000 0.281 873 S C -0.784 173.778 174.600 -0.064 0.000 1.198 873 S CA -0.472 57.674 58.200 -0.089 0.000 1.063 873 S CB 0.575 63.738 63.200 -0.061 0.000 0.972 873 S HN 0.466 nan 8.310 nan 0.000 0.486 874 V N 8.660 128.546 119.914 -0.047 0.000 2.294 874 V HA 0.371 4.491 4.120 0.000 0.000 0.272 874 V C -2.247 173.751 176.094 -0.159 0.000 1.027 874 V CA -1.976 60.264 62.300 -0.101 0.000 0.823 874 V CB 0.857 32.648 31.823 -0.052 0.000 1.030 874 V HN 0.718 nan 8.190 nan 0.000 0.457 875 P HA 0.236 nan 4.420 nan 0.000 0.269 875 P C -1.254 175.855 177.300 -0.318 0.000 1.209 875 P CA 0.120 63.143 63.100 -0.129 0.000 0.776 875 P CB 0.239 31.901 31.700 -0.064 0.000 0.876 876 Y N 0.387 120.717 120.300 0.050 0.000 2.315 876 Y HA 0.293 4.843 4.550 0.000 0.000 0.324 876 Y C -0.217 175.681 175.900 -0.004 0.000 1.062 876 Y CA -0.983 57.130 58.100 0.023 0.000 1.159 876 Y CB 1.523 39.980 38.460 -0.005 0.000 1.145 876 Y HN 0.104 nan 8.280 nan 0.000 0.442 877 V N 4.354 124.329 119.914 0.102 0.000 2.383 877 V HA 0.788 4.908 4.120 0.000 0.000 0.275 877 V C -0.101 175.969 176.094 -0.039 0.000 1.036 877 V CA -0.530 61.788 62.300 0.029 0.000 0.889 877 V CB 0.458 32.255 31.823 -0.043 0.000 0.985 877 V HN 0.665 nan 8.190 nan 0.000 0.459 878 I N 2.361 122.915 120.570 -0.028 0.000 3.145 878 I HA 0.919 5.089 4.170 0.000 0.000 0.313 878 I C -1.121 175.015 176.117 0.031 0.000 1.122 878 I CA -1.309 59.984 61.300 -0.012 0.000 0.987 878 I CB 2.643 40.616 38.000 -0.046 0.000 1.236 878 I HN 0.340 nan 8.210 nan 0.000 0.453 879 V N 2.210 122.185 119.914 0.101 0.000 2.445 879 V HA 0.360 4.480 4.120 0.000 0.000 0.283 879 V C -2.535 173.626 176.094 0.111 0.000 1.014 879 V CA -1.391 60.955 62.300 0.076 0.000 0.852 879 V CB 1.390 33.210 31.823 -0.005 0.000 1.021 879 V HN 0.614 nan 8.190 nan 0.000 0.435 880 P HA 0.150 nan 4.420 nan 0.000 0.260 880 P C 0.775 177.986 177.300 -0.148 0.000 1.207 880 P CA 0.469 63.495 63.100 -0.124 0.000 0.780 880 P CB 0.553 32.227 31.700 -0.044 0.000 0.789 881 L N 3.204 124.295 121.223 -0.221 0.000 2.249 881 L HA 0.082 4.422 4.340 0.000 0.000 0.207 881 L C 1.194 177.991 176.870 -0.122 0.000 1.090 881 L CA 0.940 55.708 54.840 -0.120 0.000 0.802 881 L CB -0.391 41.616 42.059 -0.087 0.000 0.947 881 L HN 0.350 nan 8.230 nan 0.000 0.453 882 K N -0.360 119.924 120.400 -0.193 0.000 2.426 882 K HA 0.463 4.783 4.320 0.000 0.000 0.251 882 K C -0.159 176.340 176.600 -0.168 0.000 0.941 882 K CA -0.705 55.491 56.287 -0.152 0.000 0.808 882 K CB 1.645 34.065 32.500 -0.133 0.000 1.265 882 K HN -0.117 nan 8.250 nan 0.000 0.432 883 T N -1.037 113.443 114.554 -0.124 0.000 2.681 883 T HA 0.526 4.876 4.350 0.000 0.000 0.333 883 T C 0.852 175.491 174.700 -0.101 0.000 1.049 883 T CA 0.274 62.307 62.100 -0.112 0.000 1.002 883 T CB -0.033 68.772 68.868 -0.104 0.000 1.161 883 T HN 1.297 nan 8.240 nan 0.000 0.519 884 G N -0.533 108.222 108.800 -0.075 0.000 2.757 884 G HA2 0.039 3.999 3.960 0.000 0.000 0.638 884 G HA3 0.039 3.999 3.960 0.000 0.000 0.638 884 G C -0.802 174.064 174.900 -0.057 0.000 1.344 884 G CA -0.361 44.704 45.100 -0.057 0.000 0.855 884 G HN 1.301 nan 8.290 nan 0.000 0.537 885 L N 1.209 122.407 121.223 -0.040 0.000 2.363 885 L HA 0.478 4.818 4.340 0.000 0.000 0.286 885 L C 0.848 177.712 176.870 -0.010 0.000 1.106 885 L CA -0.234 54.589 54.840 -0.028 0.000 0.859 885 L CB 0.452 42.496 42.059 -0.024 0.000 1.223 885 L HN 0.631 nan 8.230 nan 0.000 0.446 886 Q N 3.230 123.038 119.800 0.013 0.000 2.162 886 Q HA 0.385 4.725 4.340 0.000 0.000 0.197 886 Q C -0.607 175.484 176.000 0.151 0.000 1.013 886 Q CA -0.375 55.465 55.803 0.061 0.000 1.040 886 Q CB 1.003 29.732 28.738 -0.015 0.000 1.114 886 Q HN 0.667 nan 8.270 nan 0.000 0.547 887 E N 0.052 120.390 120.200 0.230 0.000 2.246 887 E HA 0.480 4.830 4.350 0.000 0.000 0.266 887 E C -1.645 175.024 176.600 0.115 0.000 0.880 887 E CA -0.457 56.030 56.400 0.145 0.000 0.762 887 E CB 1.660 31.414 29.700 0.090 0.000 1.180 887 E HN 0.215 nan 8.360 nan 0.000 0.416 888 V N 4.055 123.956 119.914 -0.022 0.000 2.448 888 V HA 0.434 4.554 4.120 0.000 0.000 0.295 888 V C -0.523 175.507 176.094 -0.108 0.000 1.025 888 V CA -0.627 61.570 62.300 -0.172 0.000 0.859 888 V CB 1.652 33.290 31.823 -0.308 0.000 0.988 888 V HN 0.748 nan 8.190 nan 0.000 0.431 889 E N 3.461 123.590 120.200 -0.117 0.000 2.275 889 E HA 0.722 5.072 4.350 0.000 0.000 0.270 889 E C -1.629 174.909 176.600 -0.104 0.000 0.882 889 E CA -0.617 55.742 56.400 -0.068 0.000 0.758 889 E CB 2.409 32.099 29.700 -0.016 0.000 1.195 889 E HN 0.607 nan 8.360 nan 0.000 0.419 890 V N 0.859 120.726 119.914 -0.079 0.000 2.638 890 V HA 0.661 4.781 4.120 0.000 0.000 0.306 890 V C -0.868 175.224 176.094 -0.003 0.000 1.052 890 V CA -0.892 61.358 62.300 -0.084 0.000 0.885 890 V CB 1.536 33.273 31.823 -0.143 0.000 0.999 890 V HN 0.586 nan 8.190 nan 0.000 0.424 891 K N 2.890 123.301 120.400 0.020 0.000 2.281 891 K HA 0.982 5.302 4.320 0.000 0.000 0.242 891 K C -0.654 175.997 176.600 0.086 0.000 0.971 891 K CA -0.590 55.730 56.287 0.054 0.000 0.834 891 K CB 2.484 35.009 32.500 0.041 0.000 1.181 891 K HN 1.213 nan 8.250 nan 0.000 0.435 892 A N 0.717 123.611 122.820 0.124 0.000 2.540 892 A HA 0.725 5.045 4.320 0.000 0.000 0.297 892 A C -1.773 175.911 177.584 0.166 0.000 1.056 892 A CA -0.615 51.524 52.037 0.170 0.000 0.700 892 A CB 1.632 20.793 19.000 0.268 0.000 1.280 892 A HN 0.689 nan 8.150 nan 0.000 0.398 893 A N 0.962 123.811 122.820 0.047 0.000 2.413 893 A HA 0.883 5.203 4.320 0.000 0.000 0.307 893 A C -0.090 177.404 177.584 -0.151 0.000 1.087 893 A CA -0.092 51.902 52.037 -0.071 0.000 0.750 893 A CB 1.280 20.202 19.000 -0.131 0.000 1.296 893 A HN 2.242 nan 8.150 nan 0.000 0.423 894 V N -1.151 118.630 119.914 -0.222 0.000 2.713 894 V HA 0.697 4.817 4.120 0.000 0.000 0.307 894 V C -0.707 175.350 176.094 -0.061 0.000 1.052 894 V CA -0.882 61.326 62.300 -0.153 0.000 0.967 894 V CB 0.793 32.453 31.823 -0.271 0.000 1.019 894 V HN 0.686 nan 8.190 nan 0.000 0.459 895 Y N 2.102 122.415 120.300 0.023 0.000 2.299 895 Y HA 0.443 4.993 4.550 0.000 0.000 0.326 895 Y C 1.007 177.013 175.900 0.176 0.000 1.164 895 Y CA 0.854 58.963 58.100 0.014 0.000 1.234 895 Y CB 0.404 38.898 38.460 0.058 0.000 1.219 895 Y HN 1.019 nan 8.280 nan 0.000 0.497 896 H N -0.397 118.749 119.070 0.126 0.000 2.899 896 H HA -0.211 4.345 4.556 0.000 0.000 0.282 896 H C -1.103 174.020 175.328 -0.342 0.000 1.198 896 H CA 1.108 57.121 56.048 -0.058 0.000 1.140 896 H CB -2.081 27.639 29.762 -0.071 0.000 1.317 896 H HN 0.718 nan 8.280 nan 0.000 0.375 897 H N -2.036 117.093 119.070 0.099 0.000 3.017 897 H HA 0.343 4.899 4.556 0.000 0.000 0.346 897 H C -0.983 174.409 175.328 0.105 0.000 1.286 897 H CA -0.874 55.235 56.048 0.101 0.000 1.120 897 H CB 0.707 30.505 29.762 0.061 0.000 1.860 897 H HN 0.076 nan 8.280 nan 0.000 0.542 898 F N 2.958 122.985 119.950 0.130 0.000 2.753 898 F HA 0.397 4.924 4.527 0.000 0.000 0.314 898 F C -1.201 174.644 175.800 0.074 0.000 1.215 898 F CA -0.283 57.758 58.000 0.068 0.000 1.243 898 F CB -0.117 38.916 39.000 0.055 0.000 1.400 898 F HN 0.233 nan 8.300 nan 0.000 0.548 899 I N 1.611 122.150 120.570 -0.051 0.000 2.582 899 I HA 0.456 4.626 4.170 0.000 0.000 0.292 899 I C -0.407 175.654 176.117 -0.093 0.000 1.066 899 I CA -0.507 60.765 61.300 -0.047 0.000 1.053 899 I CB 1.547 39.541 38.000 -0.011 0.000 1.241 899 I HN 0.288 nan 8.210 nan 0.000 0.421 900 S N 3.540 119.246 115.700 0.010 0.000 2.588 900 S HA 0.810 5.280 4.470 0.000 0.000 0.269 900 S C -1.666 173.052 174.600 0.197 0.000 1.157 900 S CA -0.746 57.504 58.200 0.085 0.000 0.824 900 S CB 3.213 66.380 63.200 -0.054 0.000 1.126 900 S HN 0.592 nan 8.310 nan 0.000 0.464 901 D N -1.148 119.390 120.400 0.229 0.000 2.769 901 D HA 0.642 5.282 4.640 0.000 0.000 0.219 901 D C -0.589 175.793 176.300 0.135 0.000 1.245 901 D CA 0.172 54.280 54.000 0.179 0.000 0.801 901 D CB 1.736 42.649 40.800 0.189 0.000 1.598 901 D HN 1.006 nan 8.370 nan 0.000 0.485 902 G N 0.272 109.141 108.800 0.115 0.000 2.619 902 G HA2 0.625 4.585 3.960 0.000 0.000 0.296 902 G HA3 0.625 4.585 3.960 0.000 0.000 0.296 902 G C -1.512 173.466 174.900 0.129 0.000 1.334 902 G CA -0.623 44.535 45.100 0.097 0.000 0.934 902 G HN 0.422 nan 8.290 nan 0.000 0.476 903 V N 0.718 120.696 119.914 0.107 0.000 2.577 903 V HA 0.589 4.709 4.120 0.000 0.000 0.303 903 V C -0.117 176.037 176.094 0.101 0.000 1.042 903 V CA -0.820 61.568 62.300 0.146 0.000 0.872 903 V CB 1.866 33.725 31.823 0.060 0.000 0.998 903 V HN 0.772 nan 8.190 nan 0.000 0.423 904 R N 3.933 124.540 120.500 0.178 0.000 2.494 904 R HA 0.450 4.790 4.340 0.000 0.000 0.284 904 R C -0.386 176.002 176.300 0.146 0.000 1.525 904 R CA -0.412 55.757 56.100 0.115 0.000 1.460 904 R CB 0.553 30.910 30.300 0.095 0.000 1.134 904 R HN 0.689 nan 8.270 nan 0.000 0.592 905 K N 0.623 121.061 120.400 0.064 0.000 2.132 905 K HA 0.469 4.789 4.320 0.000 0.000 0.241 905 K C -0.478 176.139 176.600 0.028 0.000 1.000 905 K CA -0.740 55.575 56.287 0.046 0.000 0.911 905 K CB 1.837 34.300 32.500 -0.062 0.000 1.093 905 K HN 0.214 nan 8.250 nan 0.000 0.460 906 S N 1.107 116.826 115.700 0.032 0.000 2.536 906 S HA 0.565 5.035 4.470 0.000 0.000 0.298 906 S C -0.978 173.625 174.600 0.005 0.000 1.083 906 S CA -0.997 57.222 58.200 0.031 0.000 0.995 906 S CB 0.922 64.143 63.200 0.036 0.000 1.058 906 S HN 0.534 nan 8.310 nan 0.000 0.488 907 L N -0.312 120.925 121.223 0.024 0.000 2.401 907 L HA 0.723 5.063 4.340 0.000 0.000 0.266 907 L C -0.961 175.899 176.870 -0.016 0.000 0.991 907 L CA -1.059 53.774 54.840 -0.011 0.000 0.818 907 L CB 1.503 43.574 42.059 0.021 0.000 1.321 907 L HN 0.358 nan 8.230 nan 0.000 0.413 908 K N 1.763 122.100 120.400 -0.106 0.000 2.202 908 K HA 0.549 4.869 4.320 0.000 0.000 0.264 908 K C -0.959 175.614 176.600 -0.045 0.000 1.010 908 K CA -0.684 55.542 56.287 -0.101 0.000 0.940 908 K CB 2.006 34.388 32.500 -0.196 0.000 0.983 908 K HN 0.481 nan 8.250 nan 0.000 0.475 909 V N 3.005 122.894 119.914 -0.041 0.000 2.305 909 V HA 0.109 4.229 4.120 0.000 0.000 0.275 909 V C -0.368 175.703 176.094 -0.038 0.000 1.020 909 V CA -0.945 61.334 62.300 -0.035 0.000 0.811 909 V CB 1.291 33.068 31.823 -0.076 0.000 1.031 909 V HN 0.467 nan 8.190 nan 0.000 0.439 910 V N 7.474 127.383 119.914 -0.008 0.000 2.555 910 V HA 0.213 4.334 4.120 0.000 0.000 0.286 910 V C -1.996 174.055 176.094 -0.072 0.000 1.044 910 V CA -1.560 60.741 62.300 0.002 0.000 1.026 910 V CB 1.249 33.118 31.823 0.078 0.000 0.981 910 V HN 0.661 nan 8.190 nan 0.000 0.480 911 P HA 0.030 nan 4.420 nan 0.000 0.264 911 P C 0.000 177.199 177.300 -0.169 0.000 1.193 911 P CA 0.020 62.930 63.100 -0.317 0.000 0.763 911 P CB 0.331 31.579 31.700 -0.753 0.000 0.810 912 E N 2.436 122.588 120.200 -0.081 0.000 2.558 912 E HA 0.258 4.608 4.350 0.000 0.000 0.255 912 E C 0.660 177.270 176.600 0.017 0.000 0.968 912 E CA 0.607 56.999 56.400 -0.012 0.000 0.939 912 E CB -0.214 29.484 29.700 -0.002 0.000 0.921 912 E HN 0.675 nan 8.360 nan 0.000 0.477 913 G N 3.479 112.309 108.800 0.050 0.000 2.288 913 G HA2 0.053 4.013 3.960 0.000 0.000 0.227 913 G HA3 0.053 4.013 3.960 0.000 0.000 0.227 913 G C -1.433 173.501 174.900 0.057 0.000 1.339 913 G CA -0.376 44.762 45.100 0.063 0.000 1.057 913 G HN 0.656 nan 8.290 nan 0.000 0.470 914 I N -0.002 120.580 120.570 0.020 0.000 2.769 914 I HA 0.629 4.799 4.170 0.000 0.000 0.298 914 I C -0.539 175.494 176.117 -0.141 0.000 1.128 914 I CA -1.278 60.001 61.300 -0.035 0.000 1.031 914 I CB 1.938 39.909 38.000 -0.048 0.000 1.235 914 I HN 0.441 nan 8.210 nan 0.000 0.423 915 R N 7.490 127.901 120.500 -0.149 0.000 2.248 915 R HA 0.409 4.749 4.340 0.000 0.000 0.337 915 R C -0.654 175.498 176.300 -0.248 0.000 1.085 915 R CA -0.174 55.778 56.100 -0.247 0.000 0.934 915 R CB 0.351 30.552 30.300 -0.165 0.000 1.034 915 R HN 0.553 nan 8.270 nan 0.000 0.465 916 M N 2.041 121.403 119.600 -0.397 0.000 2.762 916 M HA 0.308 4.788 4.480 0.000 0.000 0.306 916 M C 0.324 176.519 176.300 -0.175 0.000 1.223 916 M CA -0.835 54.284 55.300 -0.302 0.000 0.896 916 M CB 1.756 34.115 32.600 -0.402 0.000 1.684 916 M HN 0.378 nan 8.290 nan 0.000 0.491 917 N N 0.294 118.979 118.700 -0.026 0.000 2.716 917 N HA 0.186 4.926 4.740 0.000 0.000 0.245 917 N C -1.519 174.042 175.510 0.085 0.000 1.495 917 N CA -0.468 52.610 53.050 0.047 0.000 0.759 917 N CB 0.125 38.616 38.487 0.008 0.000 1.261 917 N HN 0.471 nan 8.380 nan 0.000 0.515 918 K N 0.706 121.201 120.400 0.158 0.000 2.436 918 K HA 0.089 4.409 4.320 0.000 0.000 0.282 918 K C -0.210 176.434 176.600 0.072 0.000 1.044 918 K CA 0.423 56.778 56.287 0.114 0.000 1.028 918 K CB 0.226 32.801 32.500 0.126 0.000 0.919 918 K HN 0.297 nan 8.250 nan 0.000 0.474 919 T N 3.340 117.923 114.554 0.049 0.000 2.776 919 T HA 0.031 4.381 4.350 0.000 0.000 0.292 919 T C 1.803 176.522 174.700 0.031 0.000 0.921 919 T CA -0.500 61.623 62.100 0.038 0.000 1.038 919 T CB 0.617 69.502 68.868 0.027 0.000 0.910 919 T HN 0.277 nan 8.240 nan 0.000 0.536 920 V N 2.499 122.434 119.914 0.035 0.000 2.220 920 V HA 0.016 4.136 4.120 0.000 0.000 0.246 920 V C 1.263 177.360 176.094 0.006 0.000 1.049 920 V CA 1.978 64.289 62.300 0.019 0.000 1.003 920 V CB -0.625 31.216 31.823 0.031 0.000 0.634 920 V HN 1.027 nan 8.190 nan 0.000 0.444 921 A N -1.245 121.583 122.820 0.013 0.000 2.608 921 A HA 0.642 4.962 4.320 0.000 0.000 0.292 921 A C -1.119 176.474 177.584 0.015 0.000 1.066 921 A CA 0.155 52.194 52.037 0.003 0.000 0.676 921 A CB 1.902 20.891 19.000 -0.019 0.000 1.277 921 A HN 0.864 nan 8.150 nan 0.000 0.413 922 V N -0.019 119.901 119.914 0.010 0.000 2.313 922 V HA 0.568 4.689 4.120 0.000 0.000 0.262 922 V C -0.245 175.855 176.094 0.010 0.000 1.011 922 V CA -0.985 61.323 62.300 0.013 0.000 0.858 922 V CB 0.236 32.066 31.823 0.011 0.000 1.104 922 V HN 0.748 nan 8.190 nan 0.000 0.456 923 R N 1.415 121.922 120.500 0.012 0.000 2.577 923 R HA 0.640 4.980 4.340 0.000 0.000 0.269 923 R C 0.056 176.364 176.300 0.013 0.000 1.084 923 R CA -0.293 55.813 56.100 0.009 0.000 1.163 923 R CB 0.938 31.242 30.300 0.007 0.000 1.100 923 R HN 0.623 nan 8.270 nan 0.000 0.547 924 T N 2.248 116.809 114.554 0.012 0.000 2.779 924 T HA 0.460 4.810 4.350 0.000 0.000 0.280 924 T C 0.075 174.785 174.700 0.017 0.000 0.987 924 T CA -0.626 61.483 62.100 0.015 0.000 0.966 924 T CB 0.978 69.855 68.868 0.015 0.000 0.933 924 T HN 0.201 nan 8.240 nan 0.000 0.442 925 L N 4.850 126.085 121.223 0.019 0.000 2.265 925 L HA 0.557 4.897 4.340 0.000 0.000 0.289 925 L C -0.540 176.343 176.870 0.022 0.000 1.033 925 L CA -0.684 54.168 54.840 0.020 0.000 0.814 925 L CB 0.635 42.706 42.059 0.021 0.000 1.203 925 L HN 0.749 nan 8.230 nan 0.000 0.423 926 D N 2.710 123.124 120.400 0.023 0.000 2.491 926 D HA 0.222 4.862 4.640 0.000 0.000 0.232 926 D C -2.898 173.417 176.300 0.025 0.000 1.334 926 D CA -1.269 52.747 54.000 0.026 0.000 0.909 926 D CB 0.905 41.722 40.800 0.029 0.000 1.513 926 D HN 0.075 nan 8.370 nan 0.000 0.514 927 P HA 0.088 nan 4.420 nan 0.000 0.272 927 P C 0.496 177.811 177.300 0.025 0.000 1.248 927 P CA 0.316 63.430 63.100 0.023 0.000 0.799 927 P CB 0.537 32.251 31.700 0.022 0.000 0.997 928 E N -2.333 117.882 120.200 0.024 0.000 4.584 928 E HA -0.352 3.998 4.350 0.000 0.000 0.282 928 E C 1.447 178.062 176.600 0.026 0.000 0.747 928 E CA 1.547 57.963 56.400 0.026 0.000 1.563 928 E CB -1.064 28.654 29.700 0.030 0.000 1.779 928 E HN 0.458 nan 8.360 nan 0.000 0.408 929 R N 0.661 121.176 120.500 0.026 0.000 2.123 929 R HA 0.204 4.544 4.340 0.000 0.000 0.209 929 R C 1.648 177.960 176.300 0.021 0.000 1.078 929 R CA 0.817 56.932 56.100 0.025 0.000 1.028 929 R CB 0.456 30.773 30.300 0.027 0.000 0.939 929 R HN 0.180 nan 8.270 nan 0.000 0.463 930 L N 0.334 121.568 121.223 0.019 0.000 3.229 930 L HA 0.435 4.775 4.340 0.000 0.000 0.286 930 L C 0.579 177.457 176.870 0.014 0.000 1.239 930 L CA -0.466 54.383 54.840 0.015 0.000 1.035 930 L CB 1.533 43.600 42.059 0.014 0.000 1.408 930 L HN 0.215 nan 8.230 nan 0.000 0.593 931 G N 0.995 109.804 108.800 0.016 0.000 2.890 931 G HA2 0.733 4.693 3.960 0.000 0.000 0.189 931 G HA3 0.733 4.693 3.960 0.000 0.000 0.189 931 G C -0.662 174.246 174.900 0.014 0.000 1.342 931 G CA -0.495 44.614 45.100 0.015 0.000 1.026 931 G HN 0.251 nan 8.290 nan 0.000 0.579 932 R N -1.798 118.711 120.500 0.014 0.000 2.808 932 R HA 0.387 4.727 4.340 0.000 0.000 0.254 932 R C -0.833 175.475 176.300 0.013 0.000 1.145 932 R CA -0.609 55.499 56.100 0.013 0.000 1.066 932 R CB 0.831 31.137 30.300 0.010 0.000 1.268 932 R HN 0.446 nan 8.270 nan 0.000 0.447 933 E N 0.807 121.014 120.200 0.013 0.000 3.370 933 E HA -0.247 4.103 4.350 0.000 0.000 0.291 933 E C 0.998 177.606 176.600 0.015 0.000 0.916 933 E CA 2.415 58.823 56.400 0.013 0.000 0.981 933 E CB -1.306 28.401 29.700 0.011 0.000 1.498 933 E HN 1.286 nan 8.360 nan 0.000 0.452 934 G N -2.359 106.451 108.800 0.016 0.000 2.195 934 G HA2 -0.221 3.739 3.960 0.000 0.000 0.224 934 G HA3 -0.221 3.739 3.960 0.000 0.000 0.224 934 G C 0.303 175.214 174.900 0.018 0.000 0.990 934 G CA 0.401 45.512 45.100 0.018 0.000 0.639 934 G HN 1.100 nan 8.290 nan 0.000 0.514 935 V N -2.173 117.751 119.914 0.017 0.000 2.919 935 V HA 0.905 5.025 4.120 0.000 0.000 0.316 935 V C -0.380 175.724 176.094 0.016 0.000 1.077 935 V CA -0.587 61.724 62.300 0.017 0.000 0.977 935 V CB 1.979 33.812 31.823 0.016 0.000 1.039 935 V HN 0.599 nan 8.190 nan 0.000 0.441 936 Q N 1.680 121.491 119.800 0.018 0.000 2.285 936 Q HA 0.516 4.856 4.340 0.000 0.000 0.269 936 Q C -1.404 174.606 176.000 0.017 0.000 1.030 936 Q CA -0.697 55.115 55.803 0.016 0.000 0.788 936 Q CB 2.312 31.061 28.738 0.017 0.000 1.266 936 Q HN 0.894 nan 8.270 nan 0.000 0.438 937 K N 2.596 123.003 120.400 0.012 0.000 2.185 937 K HA 0.402 4.722 4.320 0.000 0.000 0.269 937 K C -1.006 175.595 176.600 0.001 0.000 0.987 937 K CA -0.682 55.611 56.287 0.009 0.000 0.865 937 K CB 1.645 34.148 32.500 0.006 0.000 1.090 937 K HN 0.399 nan 8.250 nan 0.000 0.450 938 E N 2.509 122.708 120.200 -0.001 0.000 2.343 938 E HA 0.152 4.503 4.350 0.000 0.000 0.260 938 E C -1.539 175.030 176.600 -0.052 0.000 0.908 938 E CA -0.489 55.900 56.400 -0.019 0.000 0.814 938 E CB 0.695 30.391 29.700 -0.005 0.000 1.302 938 E HN 0.353 nan 8.360 nan 0.000 0.408 939 D N 3.207 123.563 120.400 -0.074 0.000 2.341 939 D HA 0.335 4.975 4.640 0.000 0.000 0.245 939 D C 0.001 176.180 176.300 -0.201 0.000 1.106 939 D CA 0.150 54.073 54.000 -0.129 0.000 0.905 939 D CB 0.939 41.682 40.800 -0.096 0.000 1.202 939 D HN 0.421 nan 8.370 nan 0.000 0.426 940 I N 2.624 122.978 120.570 -0.359 0.000 2.476 940 I HA 0.194 4.364 4.170 0.000 0.000 0.281 940 I C -2.403 173.474 176.117 -0.401 0.000 1.040 940 I CA -2.024 59.010 61.300 -0.444 0.000 1.094 940 I CB 2.022 39.558 38.000 -0.773 0.000 1.219 940 I HN -0.037 nan 8.210 nan 0.000 0.450 941 P HA 0.165 nan 4.420 nan 0.000 0.268 941 P C -2.404 174.825 177.300 -0.119 0.000 1.205 941 P CA -0.808 62.207 63.100 -0.142 0.000 0.771 941 P CB -0.175 31.470 31.700 -0.092 0.000 0.858 942 P HA 0.071 nan 4.420 nan 0.000 0.269 942 P C -0.350 176.932 177.300 -0.030 0.000 1.217 942 P CA 0.066 63.150 63.100 -0.026 0.000 0.783 942 P CB 0.283 31.973 31.700 -0.017 0.000 0.898 943 A N 1.508 124.316 122.820 -0.021 0.000 2.406 943 A HA 0.051 4.371 4.320 0.000 0.000 0.243 943 A C 1.390 178.929 177.584 -0.075 0.000 1.082 943 A CA 0.123 52.133 52.037 -0.045 0.000 0.786 943 A CB -0.218 18.748 19.000 -0.055 0.000 1.029 943 A HN 0.602 nan 8.150 nan 0.000 0.495 944 D N -0.139 120.212 120.400 -0.081 0.000 2.096 944 D HA -0.129 4.511 4.640 0.000 0.000 0.200 944 D C 0.946 177.164 176.300 -0.138 0.000 0.980 944 D CA 1.937 55.888 54.000 -0.082 0.000 0.860 944 D CB -0.348 40.421 40.800 -0.051 0.000 1.005 944 D HN 0.640 nan 8.370 nan 0.000 0.449 945 L N -0.098 120.982 121.223 -0.238 0.000 3.843 945 L HA -0.272 4.068 4.340 0.000 0.000 0.411 945 L C 1.552 178.323 176.870 -0.165 0.000 1.205 945 L CA 0.351 54.965 54.840 -0.378 0.000 0.945 945 L CB -2.421 39.392 42.059 -0.410 0.000 1.929 945 L HN 0.178 nan 8.230 nan 0.000 0.934 946 S N -0.486 115.167 115.700 -0.079 0.000 2.383 946 S HA -0.122 4.348 4.470 0.000 0.000 0.227 946 S C 1.160 175.765 174.600 0.009 0.000 1.026 946 S CA 1.096 59.280 58.200 -0.027 0.000 0.981 946 S CB -0.133 63.061 63.200 -0.010 0.000 0.818 946 S HN 0.682 nan 8.310 nan 0.000 0.472 947 D N 0.905 121.333 120.400 0.047 0.000 2.561 947 D HA 0.119 4.759 4.640 0.000 0.000 0.232 947 D C 0.251 176.648 176.300 0.162 0.000 1.198 947 D CA -0.373 53.683 54.000 0.093 0.000 0.826 947 D CB -0.702 40.161 40.800 0.105 0.000 0.992 947 D HN 0.586 nan 8.370 nan 0.000 0.490 948 Q N 0.633 120.508 119.800 0.126 0.000 2.332 948 Q HA 0.184 4.524 4.340 0.000 0.000 0.263 948 Q C -0.371 175.720 176.000 0.153 0.000 0.979 948 Q CA -0.545 55.379 55.803 0.201 0.000 0.885 948 Q CB 1.150 29.918 28.738 0.051 0.000 1.218 948 Q HN 0.011 nan 8.270 nan 0.000 0.405 949 V N 7.143 127.168 119.914 0.186 0.000 2.599 949 V HA 0.051 4.171 4.120 0.000 0.000 0.300 949 V C -1.998 174.136 176.094 0.068 0.000 1.034 949 V CA -0.983 61.382 62.300 0.109 0.000 1.115 949 V CB 0.428 32.312 31.823 0.101 0.000 0.934 949 V HN 0.845 nan 8.190 nan 0.000 0.485 950 P HA 0.050 nan 4.420 nan 0.000 0.265 950 P C 0.109 177.406 177.300 -0.006 0.000 1.193 950 P CA 0.470 63.576 63.100 0.010 0.000 0.765 950 P CB 0.147 31.847 31.700 -0.001 0.000 0.823 951 D N 1.162 121.553 120.400 -0.014 0.000 2.760 951 D HA -0.133 4.507 4.640 0.000 0.000 0.244 951 D C -0.939 175.347 176.300 -0.023 0.000 1.123 951 D CA 1.364 55.347 54.000 -0.027 0.000 0.719 951 D CB -1.355 39.416 40.800 -0.049 0.000 1.045 951 D HN 0.470 nan 8.370 nan 0.000 0.426 952 T N -1.294 113.265 114.554 0.009 0.000 2.933 952 T HA 0.670 5.020 4.350 0.000 0.000 0.305 952 T C -0.057 174.689 174.700 0.076 0.000 1.092 952 T CA -0.914 61.203 62.100 0.029 0.000 1.008 952 T CB 2.058 70.963 68.868 0.062 0.000 1.102 952 T HN 0.164 nan 8.240 nan 0.000 0.469 953 E N 1.394 121.648 120.200 0.089 0.000 2.312 953 E HA 0.738 5.088 4.350 0.000 0.000 0.259 953 E C -0.426 176.263 176.600 0.149 0.000 1.122 953 E CA -0.831 55.624 56.400 0.093 0.000 0.922 953 E CB 0.862 30.599 29.700 0.063 0.000 1.109 953 E HN 0.973 nan 8.360 nan 0.000 0.442 954 S N -0.858 114.905 115.700 0.105 0.000 2.556 954 S HA 0.441 4.911 4.470 0.000 0.000 0.280 954 S C -1.156 173.482 174.600 0.064 0.000 1.141 954 S CA -1.120 57.147 58.200 0.113 0.000 0.883 954 S CB 0.747 64.031 63.200 0.141 0.000 1.103 954 S HN 0.767 nan 8.310 nan 0.000 0.453 955 E N 0.713 120.947 120.200 0.057 0.000 2.263 955 E HA 0.744 5.094 4.350 0.000 0.000 0.264 955 E C -1.240 175.378 176.600 0.031 0.000 0.923 955 E CA -1.035 55.384 56.400 0.031 0.000 0.802 955 E CB 1.866 31.577 29.700 0.020 0.000 1.228 955 E HN 0.457 nan 8.360 nan 0.000 0.417 956 T N 1.482 116.043 114.554 0.012 0.000 2.791 956 T HA 0.280 4.630 4.350 0.000 0.000 0.288 956 T C -0.498 174.191 174.700 -0.018 0.000 0.999 956 T CA -0.655 61.455 62.100 0.016 0.000 0.952 956 T CB 0.683 69.572 68.868 0.034 0.000 0.938 956 T HN 0.401 nan 8.240 nan 0.000 0.444 957 R N 4.809 125.308 120.500 -0.003 0.000 2.408 957 R HA 0.353 4.693 4.340 0.000 0.000 0.308 957 R C -0.268 176.017 176.300 -0.025 0.000 1.210 957 R CA -0.427 55.659 56.100 -0.022 0.000 1.115 957 R CB -0.217 30.077 30.300 -0.010 0.000 1.127 957 R HN 0.618 nan 8.270 nan 0.000 0.523 958 I N 4.882 125.407 120.570 -0.075 0.000 2.575 958 I HA 0.137 4.307 4.170 0.000 0.000 0.285 958 I C 0.077 176.157 176.117 -0.063 0.000 1.085 958 I CA -0.100 61.158 61.300 -0.070 0.000 1.403 958 I CB 0.859 38.739 38.000 -0.201 0.000 1.409 958 I HN 0.466 nan 8.210 nan 0.000 0.557 959 L N 6.974 128.177 121.223 -0.034 0.000 2.464 959 L HA 0.559 4.899 4.340 0.000 0.000 0.266 959 L C -1.097 175.744 176.870 -0.048 0.000 0.965 959 L CA -0.458 54.352 54.840 -0.051 0.000 0.833 959 L CB 1.959 43.999 42.059 -0.031 0.000 1.296 959 L HN 0.516 nan 8.230 nan 0.000 0.405 960 L N 3.754 124.926 121.223 -0.085 0.000 2.319 960 L HA 0.688 5.028 4.340 0.000 0.000 0.267 960 L C -0.810 176.020 176.870 -0.066 0.000 1.011 960 L CA -0.529 54.267 54.840 -0.073 0.000 0.818 960 L CB 2.067 44.062 42.059 -0.107 0.000 1.316 960 L HN 0.583 nan 8.230 nan 0.000 0.432 961 Q N 0.317 120.091 119.800 -0.043 0.000 2.518 961 Q HA 0.386 4.726 4.340 0.000 0.000 0.254 961 Q C -1.054 174.929 176.000 -0.029 0.000 0.962 961 Q CA -0.462 55.317 55.803 -0.040 0.000 0.982 961 Q CB 1.978 30.693 28.738 -0.038 0.000 1.516 961 Q HN 0.788 nan 8.270 nan 0.000 0.426 962 G N 0.663 109.443 108.800 -0.033 0.000 2.621 962 G HA2 0.523 4.483 3.960 0.000 0.000 0.271 962 G HA3 0.523 4.483 3.960 0.000 0.000 0.271 962 G C -0.708 174.176 174.900 -0.028 0.000 1.236 962 G CA 0.355 45.441 45.100 -0.024 0.000 0.958 962 G HN 0.448 nan 8.290 nan 0.000 0.512 963 T N 0.460 115.009 114.554 -0.008 0.000 4.111 963 T HA 0.430 4.780 4.350 0.000 0.000 0.346 963 T C -3.026 171.701 174.700 0.044 0.000 0.893 963 T CA -0.835 61.264 62.100 -0.001 0.000 1.011 963 T CB 1.510 70.382 68.868 0.006 0.000 1.094 963 T HN 0.290 nan 8.240 nan 0.000 0.467 964 P HA 0.361 nan 4.420 nan 0.000 0.267 964 P C 0.776 178.151 177.300 0.126 0.000 1.205 964 P CA 0.301 63.502 63.100 0.169 0.000 0.765 964 P CB 0.965 32.794 31.700 0.216 0.000 0.828 965 V N 0.865 120.858 119.914 0.131 0.000 1.924 965 V HA -0.271 3.849 4.120 0.000 0.000 0.124 965 V C 0.648 176.860 176.094 0.197 0.000 1.848 965 V CA 1.651 64.047 62.300 0.160 0.000 2.501 965 V CB -1.846 30.084 31.823 0.178 0.000 1.415 965 V HN 0.800 nan 8.190 nan 0.000 1.058 966 A N 0.628 123.583 122.820 0.225 0.000 2.279 966 A HA 0.748 5.068 4.320 0.000 0.000 0.306 966 A C 0.023 177.675 177.584 0.112 0.000 1.300 966 A CA 0.193 52.349 52.037 0.198 0.000 0.925 966 A CB 0.637 19.823 19.000 0.309 0.000 1.152 966 A HN 0.630 nan 8.150 nan 0.000 0.544 967 Q N 1.438 121.276 119.800 0.064 0.000 2.943 967 Q HA 0.669 5.009 4.340 0.000 0.000 0.341 967 Q C -0.401 175.612 176.000 0.021 0.000 0.858 967 Q CA -1.179 54.653 55.803 0.047 0.000 0.804 967 Q CB 0.573 29.343 28.738 0.053 0.000 1.399 967 Q HN 0.631 nan 8.270 nan 0.000 0.511 968 M N -0.570 119.051 119.600 0.035 0.000 7.319 968 M HA -0.214 4.266 4.480 0.000 0.000 0.181 968 M C -0.699 175.625 176.300 0.041 0.000 0.480 968 M CA 1.748 57.074 55.300 0.043 0.000 1.311 968 M CB -2.524 30.096 32.600 0.032 0.000 0.421 968 M HN 0.958 nan 8.290 nan 0.000 0.232 969 T N 1.008 115.598 114.554 0.060 0.000 0.787 969 T HA -0.040 4.310 4.350 0.000 0.000 0.750 969 T C -0.459 174.319 174.700 0.130 0.000 0.987 969 T CA 0.463 62.597 62.100 0.056 0.000 3.957 969 T CB -0.366 68.491 68.868 -0.017 0.000 2.240 969 T HN 0.522 nan 8.240 nan 0.000 0.395 970 E N 1.874 122.228 120.200 0.256 0.000 2.250 970 E HA 0.420 4.770 4.350 0.000 0.000 0.265 970 E C 0.148 176.861 176.600 0.188 0.000 1.033 970 E CA -0.776 55.752 56.400 0.212 0.000 0.888 970 E CB 0.803 30.622 29.700 0.198 0.000 1.151 970 E HN 0.551 nan 8.360 nan 0.000 0.412 971 D N 0.254 120.731 120.400 0.129 0.000 2.339 971 D HA 0.356 4.996 4.640 0.000 0.000 0.245 971 D C -0.306 176.081 176.300 0.145 0.000 1.115 971 D CA -0.125 53.943 54.000 0.113 0.000 0.917 971 D CB 0.907 41.758 40.800 0.085 0.000 1.192 971 D HN 0.388 nan 8.370 nan 0.000 0.428 972 A N 0.987 123.895 122.820 0.146 0.000 2.295 972 A HA 0.454 4.774 4.320 0.000 0.000 0.318 972 A C -0.133 177.592 177.584 0.235 0.000 1.134 972 A CA -0.726 51.442 52.037 0.217 0.000 0.827 972 A CB 0.695 19.786 19.000 0.152 0.000 1.136 972 A HN 0.365 nan 8.150 nan 0.000 0.493 973 V N 2.787 122.901 119.914 0.334 0.000 2.540 973 V HA -0.006 4.114 4.120 0.000 0.000 0.297 973 V C -0.005 176.253 176.094 0.272 0.000 1.024 973 V CA -0.045 62.426 62.300 0.286 0.000 1.105 973 V CB -0.039 31.945 31.823 0.268 0.000 0.938 973 V HN 0.840 nan 8.190 nan 0.000 0.482 974 D N 3.843 124.351 120.400 0.179 0.000 2.488 974 D HA 0.163 4.803 4.640 0.000 0.000 0.238 974 D C 0.993 177.352 176.300 0.099 0.000 1.138 974 D CA 0.595 54.662 54.000 0.113 0.000 0.873 974 D CB 1.255 42.094 40.800 0.064 0.000 1.183 974 D HN 0.646 nan 8.370 nan 0.000 0.458 975 A N 2.779 125.651 122.820 0.087 0.000 2.067 975 A HA -0.183 4.137 4.320 0.000 0.000 0.219 975 A C 1.823 179.498 177.584 0.152 0.000 1.158 975 A CA 1.135 53.235 52.037 0.105 0.000 0.661 975 A CB -0.433 18.607 19.000 0.067 0.000 0.801 975 A HN 0.707 nan 8.150 nan 0.000 0.452 976 E N -0.402 119.825 120.200 0.045 0.000 2.338 976 E HA -0.142 4.208 4.350 0.000 0.000 0.197 976 E C 1.437 177.982 176.600 -0.091 0.000 1.007 976 E CA 0.424 56.799 56.400 -0.042 0.000 0.849 976 E CB 0.040 29.710 29.700 -0.049 0.000 0.774 976 E HN 0.344 nan 8.360 nan 0.000 0.506 977 R N -0.206 120.218 120.500 -0.127 0.000 2.317 977 R HA 0.125 4.465 4.340 0.000 0.000 0.208 977 R C 0.916 177.089 176.300 -0.212 0.000 0.914 977 R CA 0.228 56.126 56.100 -0.336 0.000 1.060 977 R CB 0.340 30.211 30.300 -0.714 0.000 1.015 977 R HN 0.256 nan 8.270 nan 0.000 0.498 978 L N 0.269 121.439 121.223 -0.087 0.000 3.110 978 L HA 0.273 4.613 4.340 0.000 0.000 0.266 978 L C 0.640 177.491 176.870 -0.031 0.000 1.257 978 L CA -0.035 54.694 54.840 -0.185 0.000 1.038 978 L CB 0.349 42.286 42.059 -0.202 0.000 1.395 978 L HN -0.190 nan 8.230 nan 0.000 0.566 979 K N 0.348 120.757 120.400 0.015 0.000 2.589 979 K HA 0.001 4.321 4.320 0.000 0.000 0.204 979 K C 0.847 177.481 176.600 0.056 0.000 1.029 979 K CA 0.289 56.571 56.287 -0.010 0.000 1.177 979 K CB -0.080 32.304 32.500 -0.194 0.000 0.902 979 K HN 0.544 nan 8.250 nan 0.000 0.501 980 H N -3.808 115.275 119.070 0.023 0.000 3.535 980 H HA 0.197 4.753 4.556 0.000 0.000 0.260 980 H C 1.062 176.400 175.328 0.017 0.000 1.173 980 H CA -0.391 55.664 56.048 0.011 0.000 1.168 980 H CB -0.084 29.672 29.762 -0.011 0.000 1.568 980 H HN -0.014 nan 8.280 nan 0.000 0.602 981 L N 1.280 122.292 121.223 -0.351 0.000 2.599 981 L HA 0.176 4.516 4.340 0.000 0.000 0.230 981 L C -0.033 176.793 176.870 -0.073 0.000 1.141 981 L CA 0.024 54.719 54.840 -0.242 0.000 0.877 981 L CB 0.127 41.941 42.059 -0.408 0.000 1.009 981 L HN 0.342 nan 8.230 nan 0.000 0.447 982 I N 1.454 122.028 120.570 0.008 0.000 2.206 982 I HA 0.135 4.305 4.170 0.000 0.000 0.292 982 I C 0.025 176.180 176.117 0.064 0.000 1.156 982 I CA 0.067 61.404 61.300 0.062 0.000 1.356 982 I CB 0.022 38.104 38.000 0.137 0.000 1.494 982 I HN -0.214 nan 8.210 nan 0.000 0.601 983 V N 3.912 123.857 119.914 0.052 0.000 2.472 983 V HA 0.284 4.404 4.120 0.000 0.000 0.290 983 V C 0.745 176.871 176.094 0.053 0.000 1.037 983 V CA -0.583 61.751 62.300 0.056 0.000 0.908 983 V CB 1.839 33.697 31.823 0.057 0.000 0.985 983 V HN 0.569 nan 8.190 nan 0.000 0.454 984 T N 7.392 121.977 114.554 0.052 0.000 2.769 984 T HA 0.200 4.550 4.350 0.000 0.000 0.293 984 T C -2.343 172.386 174.700 0.049 0.000 0.931 984 T CA -0.606 61.525 62.100 0.050 0.000 1.139 984 T CB 0.469 69.367 68.868 0.049 0.000 0.881 984 T HN 0.471 nan 8.240 nan 0.000 0.532 985 P HA 0.163 nan 4.420 nan 0.000 0.262 985 P C -0.507 176.825 177.300 0.054 0.000 1.182 985 P CA 0.072 63.202 63.100 0.050 0.000 0.761 985 P CB 0.390 32.125 31.700 0.059 0.000 0.795 986 S N 1.317 117.042 115.700 0.041 0.000 2.578 986 S HA 0.829 5.299 4.470 0.000 0.000 0.272 986 S C -0.333 174.281 174.600 0.024 0.000 1.145 986 S CA -0.144 58.087 58.200 0.051 0.000 0.835 986 S CB 1.520 64.752 63.200 0.054 0.000 1.104 986 S HN 0.884 nan 8.310 nan 0.000 0.458 987 G N -0.104 108.726 108.800 0.050 0.000 2.362 987 G HA2 0.207 4.167 3.960 0.000 0.000 0.517 987 G HA3 0.207 4.167 3.960 0.000 0.000 0.517 987 G C 0.352 175.241 174.900 -0.017 0.000 1.256 987 G CA -0.008 45.102 45.100 0.016 0.000 1.027 987 G HN 2.174 nan 8.290 nan 0.000 0.491 988 C N -0.862 118.346 119.300 -0.153 0.000 2.310 988 C HA 0.754 5.214 4.460 0.000 0.000 0.279 988 C C 2.658 176.880 174.990 -1.280 0.000 2.750 988 C CA 1.064 59.800 59.018 -0.470 0.000 1.792 988 C CB -0.119 27.340 27.740 -0.468 0.000 1.957 988 C HN 2.192 nan 8.230 nan 0.000 0.463 989 G N -0.452 107.385 108.800 -1.605 0.000 2.534 989 G HA2 0.024 3.984 3.960 0.000 0.000 0.217 989 G HA3 0.024 3.984 3.960 0.000 0.000 0.217 989 G C 1.399 175.950 174.900 -0.582 0.000 1.128 989 G CA 0.798 45.118 45.100 -1.299 0.000 0.784 989 G HN 0.889 nan 8.290 nan 0.000 0.542 990 E N -0.259 119.660 120.200 -0.468 0.000 2.256 990 E HA 0.063 4.413 4.350 0.000 0.000 0.198 990 E C 2.129 178.544 176.600 -0.309 0.000 0.908 990 E CA -0.006 56.231 56.400 -0.271 0.000 0.915 990 E CB 0.159 29.784 29.700 -0.125 0.000 0.890 990 E HN 0.371 nan 8.360 nan 0.000 0.484 991 E N 1.321 121.308 120.200 -0.353 0.000 2.204 991 E HA -0.183 4.167 4.350 0.000 0.000 0.195 991 E C 1.824 178.312 176.600 -0.186 0.000 0.990 991 E CA 0.739 56.952 56.400 -0.311 0.000 0.821 991 E CB -0.011 29.560 29.700 -0.214 0.000 0.750 991 E HN 0.054 nan 8.360 nan 0.000 0.477 992 N N 0.671 119.257 118.700 -0.190 0.000 2.084 992 N HA -0.161 4.579 4.740 0.000 0.000 0.190 992 N C 1.627 177.114 175.510 -0.038 0.000 1.030 992 N CA 1.364 54.361 53.050 -0.089 0.000 0.849 992 N CB 0.024 38.458 38.487 -0.087 0.000 1.012 992 N HN 0.043 nan 8.380 nan 0.000 0.423 993 M N 0.244 119.811 119.600 -0.054 0.000 2.175 993 M HA -0.008 4.472 4.480 0.000 0.000 0.264 993 M C 2.093 178.416 176.300 0.038 0.000 1.063 993 M CA 0.793 56.115 55.300 0.036 0.000 1.119 993 M CB -0.883 31.759 32.600 0.069 0.000 1.377 993 M HN 0.209 nan 8.290 nan 0.000 0.415 994 I N -0.438 120.100 120.570 -0.053 0.000 2.361 994 I HA -0.179 3.991 4.170 0.000 0.000 0.251 994 I C 2.323 178.437 176.117 -0.005 0.000 1.133 994 I CA 1.345 62.610 61.300 -0.058 0.000 1.413 994 I CB -0.822 37.079 38.000 -0.166 0.000 1.073 994 I HN 0.325 nan 8.210 nan 0.000 0.424 995 G N -0.193 108.603 108.800 -0.006 0.000 2.777 995 G HA2 -0.059 3.901 3.960 0.000 0.000 0.211 995 G HA3 -0.059 3.901 3.960 0.000 0.000 0.211 995 G C 1.596 176.523 174.900 0.045 0.000 1.149 995 G CA -0.120 44.993 45.100 0.022 0.000 0.785 995 G HN 0.252 nan 8.290 nan 0.000 0.536 996 M N 0.242 119.875 119.600 0.055 0.000 2.486 996 M HA 0.079 4.559 4.480 0.000 0.000 0.264 996 M C 2.339 178.693 176.300 0.090 0.000 1.125 996 M CA 0.913 56.254 55.300 0.069 0.000 1.144 996 M CB 0.051 32.696 32.600 0.075 0.000 1.353 996 M HN 0.103 nan 8.290 nan 0.000 0.466 997 T N 2.212 116.836 114.554 0.118 0.000 2.652 997 T HA -0.062 4.288 4.350 0.000 0.000 0.267 997 T C -0.987 173.820 174.700 0.178 0.000 1.039 997 T CA 1.666 63.875 62.100 0.182 0.000 1.153 997 T CB -1.535 67.472 68.868 0.231 0.000 0.863 997 T HN 0.376 nan 8.240 nan 0.000 0.428 998 P HA -0.058 nan 4.420 nan 0.000 0.219 998 P C 1.294 178.586 177.300 -0.012 0.000 1.146 998 P CA 1.295 64.424 63.100 0.047 0.000 0.808 998 P CB -0.266 31.459 31.700 0.042 0.000 0.779 999 T N -0.465 114.104 114.554 0.026 0.000 2.852 999 T HA -0.009 4.341 4.350 0.000 0.000 0.256 999 T C 2.006 176.723 174.700 0.028 0.000 1.038 999 T CA 0.785 62.894 62.100 0.015 0.000 1.141 999 T CB -0.812 68.079 68.868 0.038 0.000 0.869 999 T HN -0.133 nan 8.240 nan 0.000 0.439 1000 V N 1.644 121.598 119.914 0.068 0.000 2.261 1000 V HA -0.122 3.998 4.120 0.000 0.000 0.246 1000 V C 2.374 178.525 176.094 0.094 0.000 1.047 1000 V CA 1.414 63.767 62.300 0.090 0.000 1.015 1000 V CB -0.544 31.355 31.823 0.127 0.000 0.642 1000 V HN 0.357 nan 8.190 nan 0.000 0.446 1001 I N 0.388 121.017 120.570 0.098 0.000 2.493 1001 I HA -0.108 4.062 4.170 0.000 0.000 0.254 1001 I C 2.274 178.357 176.117 -0.058 0.000 1.160 1001 I CA 1.384 62.682 61.300 -0.002 0.000 1.445 1001 I CB -0.633 37.344 38.000 -0.037 0.000 1.086 1001 I HN 0.182 nan 8.210 nan 0.000 0.433 1002 A N -0.384 122.344 122.820 -0.153 0.000 1.855 1002 A HA -0.138 4.182 4.320 0.000 0.000 0.215 1002 A C 2.347 179.821 177.584 -0.182 0.000 1.191 1002 A CA 2.077 53.938 52.037 -0.293 0.000 0.613 1002 A CB -1.217 17.592 19.000 -0.319 0.000 0.829 1002 A HN 0.256 nan 8.150 nan 0.000 0.442 1003 V N -0.184 119.707 119.914 -0.038 0.000 2.407 1003 V HA -0.296 3.824 4.120 0.000 0.000 0.248 1003 V C 2.467 178.640 176.094 0.130 0.000 1.055 1003 V CA 2.546 64.927 62.300 0.133 0.000 1.049 1003 V CB -1.134 30.824 31.823 0.225 0.000 0.662 1003 V HN 0.858 nan 8.190 nan 0.000 0.455 1004 H N -0.854 118.227 119.070 0.019 0.000 2.353 1004 H HA -0.258 4.298 4.556 0.000 0.000 0.300 1004 H C 2.111 177.449 175.328 0.015 0.000 1.090 1004 H CA 2.349 58.407 56.048 0.016 0.000 1.327 1004 H CB -0.269 29.485 29.762 -0.014 0.000 1.383 1004 H HN 0.507 nan 8.280 nan 0.000 0.508 1005 Y N 0.234 120.493 120.300 -0.069 0.000 2.314 1005 Y HA -0.042 4.508 4.550 0.000 0.000 0.293 1005 Y C 1.873 177.652 175.900 -0.202 0.000 1.129 1005 Y CA 1.139 59.178 58.100 -0.102 0.000 1.201 1005 Y CB 0.002 38.454 38.460 -0.013 0.000 0.999 1005 Y HN 0.220 nan 8.280 nan 0.000 0.541 1006 L N -0.496 120.574 121.223 -0.256 0.000 2.313 1006 L HA -0.106 4.234 4.340 0.000 0.000 0.214 1006 L C 1.484 178.186 176.870 -0.279 0.000 1.119 1006 L CA 0.819 55.334 54.840 -0.542 0.000 0.809 1006 L CB -0.355 40.919 42.059 -1.309 0.000 0.933 1006 L HN 0.107 nan 8.230 nan 0.000 0.449 1007 D N -0.179 120.190 120.400 -0.052 0.000 2.234 1007 D HA -0.116 4.524 4.640 0.000 0.000 0.205 1007 D C 2.133 178.363 176.300 -0.117 0.000 0.962 1007 D CA 0.817 54.842 54.000 0.041 0.000 0.855 1007 D CB 0.165 40.975 40.800 0.016 0.000 0.951 1007 D HN 0.244 nan 8.370 nan 0.000 0.500 1008 E N -0.154 119.889 120.200 -0.262 0.000 2.140 1008 E HA -0.033 4.317 4.350 0.000 0.000 0.191 1008 E C 2.094 178.533 176.600 -0.269 0.000 0.973 1008 E CA 0.976 57.213 56.400 -0.272 0.000 0.829 1008 E CB -0.338 29.162 29.700 -0.334 0.000 0.781 1008 E HN 0.390 nan 8.360 nan 0.000 0.466 1009 T N -0.845 113.480 114.554 -0.380 0.000 3.088 1009 T HA -0.011 4.339 4.350 0.000 0.000 0.259 1009 T C 0.446 175.037 174.700 -0.182 0.000 1.122 1009 T CA 0.149 62.054 62.100 -0.325 0.000 1.095 1009 T CB 0.047 68.626 68.868 -0.481 0.000 0.930 1009 T HN -0.057 nan 8.240 nan 0.000 0.508 1010 E N 0.945 121.061 120.200 -0.140 0.000 2.360 1010 E HA -0.208 4.142 4.350 0.000 0.000 0.238 1010 E C -0.136 176.451 176.600 -0.022 0.000 1.186 1010 E CA 0.559 56.946 56.400 -0.021 0.000 0.719 1010 E CB -2.291 27.404 29.700 -0.008 0.000 1.236 1010 E HN 0.778 nan 8.360 nan 0.000 0.386 1011 Q N -1.349 118.368 119.800 -0.137 0.000 2.211 1011 Q HA 0.093 4.433 4.340 0.000 0.000 0.231 1011 Q C 0.864 176.799 176.000 -0.107 0.000 0.865 1011 Q CA -0.260 55.480 55.803 -0.105 0.000 0.997 1011 Q CB -0.084 28.583 28.738 -0.118 0.000 1.101 1011 Q HN 0.395 nan 8.270 nan 0.000 0.468 1012 W N 0.932 122.228 121.300 -0.007 0.000 2.961 1012 W HA -0.027 4.633 4.660 0.000 0.000 0.240 1012 W C 1.369 177.942 176.519 0.091 0.000 1.305 1012 W CA 0.379 57.740 57.345 0.028 0.000 1.465 1012 W CB 0.430 29.874 29.460 -0.027 0.000 1.135 1012 W HN 0.338 nan 8.180 nan 0.000 0.688 1013 E N 0.452 120.790 120.200 0.231 0.000 2.021 1013 E HA -0.143 4.207 4.350 0.000 0.000 0.189 1013 E C 2.038 178.722 176.600 0.141 0.000 0.980 1013 E CA 0.827 57.324 56.400 0.162 0.000 0.803 1013 E CB -0.193 29.568 29.700 0.102 0.000 0.766 1013 E HN 0.030 nan 8.360 nan 0.000 0.449 1014 K N 0.530 120.999 120.400 0.115 0.000 2.366 1014 K HA -0.036 4.284 4.320 0.000 0.000 0.198 1014 K C 1.773 178.429 176.600 0.094 0.000 1.044 1014 K CA 0.454 56.789 56.287 0.081 0.000 0.973 1014 K CB -0.281 32.252 32.500 0.054 0.000 0.767 1014 K HN 0.117 nan 8.250 nan 0.000 0.475 1015 F N 1.079 121.025 119.950 -0.007 0.000 2.234 1015 F HA -0.067 4.460 4.527 0.000 0.000 0.299 1015 F C 1.419 177.243 175.800 0.040 0.000 1.087 1015 F CA 1.746 59.731 58.000 -0.024 0.000 1.340 1015 F CB 0.308 39.244 39.000 -0.107 0.000 1.031 1015 F HN 0.237 nan 8.300 nan 0.000 0.500 1016 G N -0.216 108.682 108.800 0.165 0.000 3.134 1016 G HA2 -0.040 3.920 3.960 0.000 0.000 0.195 1016 G HA3 -0.040 3.920 3.960 0.000 0.000 0.195 1016 G C -0.002 175.015 174.900 0.194 0.000 1.054 1016 G CA -0.358 44.792 45.100 0.085 0.000 0.828 1016 G HN 0.651 nan 8.290 nan 0.000 0.462 1017 L N -0.820 120.631 121.223 0.380 0.000 0.588 1017 L HA 0.020 4.360 4.340 0.000 0.000 0.356 1017 L C 0.951 177.918 176.870 0.162 0.000 0.998 1017 L CA 2.497 57.511 54.840 0.289 0.000 1.223 1017 L CB -0.660 41.508 42.059 0.182 0.000 0.010 1017 L HN 2.029 nan 8.230 nan 0.000 0.092 1018 E N -0.032 120.202 120.200 0.057 0.000 4.067 1018 E HA -0.311 4.039 4.350 0.000 0.000 0.346 1018 E C 0.841 177.456 176.600 0.025 0.000 0.613 1018 E CA 2.325 58.730 56.400 0.008 0.000 1.252 1018 E CB -1.071 28.642 29.700 0.021 0.000 1.731 1018 E HN 0.725 nan 8.360 nan 0.000 0.406 1019 K N -0.082 120.390 120.400 0.120 0.000 2.444 1019 K HA 0.139 4.459 4.320 0.000 0.000 0.193 1019 K C 1.891 178.569 176.600 0.131 0.000 1.024 1019 K CA 0.543 56.932 56.287 0.171 0.000 1.077 1019 K CB 0.108 32.792 32.500 0.307 0.000 0.833 1019 K HN 0.175 nan 8.250 nan 0.000 0.517 1020 R N 1.399 121.843 120.500 -0.093 0.000 2.073 1020 R HA -0.169 4.171 4.340 0.000 0.000 0.229 1020 R C 2.245 178.398 176.300 -0.245 0.000 1.120 1020 R CA 1.403 57.239 56.100 -0.441 0.000 0.967 1020 R CB 0.085 29.625 30.300 -1.267 0.000 0.862 1020 R HN 0.019 nan 8.270 nan 0.000 0.436 1021 Q N 0.063 119.752 119.800 -0.184 0.000 2.096 1021 Q HA -0.101 4.239 4.340 0.000 0.000 0.204 1021 Q C 1.760 177.724 176.000 -0.059 0.000 0.982 1021 Q CA 2.245 57.977 55.803 -0.119 0.000 0.850 1021 Q CB -0.727 27.957 28.738 -0.091 0.000 0.901 1021 Q HN 0.473 nan 8.270 nan 0.000 0.422 1022 G N -0.657 108.131 108.800 -0.020 0.000 2.443 1022 G HA2 -0.082 3.878 3.960 0.000 0.000 0.219 1022 G HA3 -0.082 3.878 3.960 0.000 0.000 0.219 1022 G C 1.376 176.293 174.900 0.028 0.000 1.131 1022 G CA 0.700 45.809 45.100 0.014 0.000 0.775 1022 G HN 0.509 nan 8.290 nan 0.000 0.547 1023 A N 0.517 123.356 122.820 0.033 0.000 1.930 1023 A HA 0.239 4.559 4.320 0.000 0.000 0.215 1023 A C 2.269 179.863 177.584 0.017 0.000 1.176 1023 A CA 0.657 52.727 52.037 0.055 0.000 0.632 1023 A CB -0.234 18.836 19.000 0.116 0.000 0.819 1023 A HN 0.262 nan 8.150 nan 0.000 0.445 1024 L N 0.238 121.445 121.223 -0.026 0.000 2.083 1024 L HA -0.155 4.185 4.340 0.000 0.000 0.209 1024 L C 2.287 179.141 176.870 -0.027 0.000 1.083 1024 L CA 1.858 56.673 54.840 -0.042 0.000 0.752 1024 L CB -1.463 40.549 42.059 -0.079 0.000 0.899 1024 L HN 0.546 nan 8.230 nan 0.000 0.433 1025 E N -0.304 119.887 120.200 -0.016 0.000 2.150 1025 E HA -0.185 4.165 4.350 0.000 0.000 0.193 1025 E C 2.332 178.941 176.600 0.015 0.000 0.985 1025 E CA 0.666 57.065 56.400 -0.002 0.000 0.814 1025 E CB -0.007 29.695 29.700 0.002 0.000 0.752 1025 E HN 0.466 nan 8.360 nan 0.000 0.466 1026 L N 0.525 121.761 121.223 0.022 0.000 2.109 1026 L HA -0.117 4.224 4.340 0.000 0.000 0.207 1026 L C 2.366 179.255 176.870 0.033 0.000 1.086 1026 L CA 0.759 55.619 54.840 0.034 0.000 0.760 1026 L CB -0.302 41.783 42.059 0.043 0.000 0.910 1026 L HN 0.152 nan 8.230 nan 0.000 0.437 1027 I N -0.142 120.437 120.570 0.015 0.000 2.252 1027 I HA -0.250 3.921 4.170 0.000 0.000 0.245 1027 I C 2.452 178.569 176.117 0.001 0.000 1.102 1027 I CA 1.291 62.590 61.300 -0.002 0.000 1.385 1027 I CB -0.287 37.694 38.000 -0.031 0.000 1.064 1027 I HN 0.204 nan 8.210 nan 0.000 0.414 1028 K N 0.993 121.392 120.400 -0.002 0.000 2.057 1028 K HA -0.209 4.111 4.320 0.000 0.000 0.206 1028 K C 2.177 178.843 176.600 0.109 0.000 1.050 1028 K CA 1.258 57.562 56.287 0.030 0.000 0.935 1028 K CB -0.155 32.345 32.500 0.001 0.000 0.715 1028 K HN 0.200 nan 8.250 nan 0.000 0.439 1029 K N 0.731 121.176 120.400 0.074 0.000 2.057 1029 K HA -0.118 4.202 4.320 0.000 0.000 0.206 1029 K C 2.198 178.855 176.600 0.094 0.000 1.050 1029 K CA 1.559 57.893 56.287 0.079 0.000 0.935 1029 K CB -0.258 32.278 32.500 0.059 0.000 0.715 1029 K HN 0.212 nan 8.250 nan 0.000 0.439 1030 G N -0.075 108.778 108.800 0.089 0.000 2.432 1030 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 1030 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 1030 G C 1.370 176.342 174.900 0.119 0.000 1.135 1030 G CA 0.894 46.051 45.100 0.095 0.000 0.767 1030 G HN 0.485 nan 8.290 nan 0.000 0.550 1031 Y N 1.917 122.196 120.300 -0.036 0.000 2.200 1031 Y HA -0.121 4.429 4.550 0.000 0.000 0.290 1031 Y C 2.943 178.888 175.900 0.074 0.000 1.137 1031 Y CA 2.204 60.255 58.100 -0.081 0.000 1.163 1031 Y CB -0.409 37.911 38.460 -0.234 0.000 0.988 1031 Y HN 0.168 nan 8.280 nan 0.000 0.518 1032 T N 0.727 115.294 114.554 0.022 0.000 2.777 1032 T HA -0.205 4.145 4.350 0.000 0.000 0.266 1032 T C 1.701 176.393 174.700 -0.014 0.000 1.040 1032 T CA 1.820 63.894 62.100 -0.043 0.000 1.141 1032 T CB -0.250 68.657 68.868 0.065 0.000 0.868 1032 T HN 0.481 nan 8.240 nan 0.000 0.444 1033 Q N 0.515 120.356 119.800 0.070 0.000 2.084 1033 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 1033 Q C 2.470 178.636 176.000 0.278 0.000 0.978 1033 Q CA 1.280 57.171 55.803 0.147 0.000 0.844 1033 Q CB -0.211 28.642 28.738 0.192 0.000 0.898 1033 Q HN 0.358 nan 8.270 nan 0.000 0.426 1034 Q N 0.968 120.923 119.800 0.258 0.000 2.226 1034 Q HA -0.088 4.252 4.340 0.000 0.000 0.204 1034 Q C 1.717 177.953 176.000 0.393 0.000 0.975 1034 Q CA 1.144 57.167 55.803 0.367 0.000 0.866 1034 Q CB -0.086 28.822 28.738 0.282 0.000 0.915 1034 Q HN 0.398 nan 8.270 nan 0.000 0.440 1035 L N -0.571 120.745 121.223 0.156 0.000 2.275 1035 L HA -0.043 4.297 4.340 0.000 0.000 0.215 1035 L C 2.162 179.037 176.870 0.008 0.000 1.119 1035 L CA 0.753 55.636 54.840 0.071 0.000 0.790 1035 L CB -0.618 41.379 42.059 -0.104 0.000 0.919 1035 L HN 0.246 nan 8.230 nan 0.000 0.443 1036 A N -0.367 122.425 122.820 -0.047 0.000 2.066 1036 A HA -0.083 4.237 4.320 0.000 0.000 0.218 1036 A C 1.545 178.897 177.584 -0.386 0.000 1.157 1036 A CA 1.024 52.902 52.037 -0.266 0.000 0.670 1036 A CB -0.485 18.263 19.000 -0.421 0.000 0.804 1036 A HN 0.398 nan 8.150 nan 0.000 0.453 1037 F N -0.495 119.475 119.950 0.032 0.000 2.641 1037 F HA 0.275 4.802 4.527 0.000 0.000 0.302 1037 F C 0.975 176.732 175.800 -0.070 0.000 1.098 1037 F CA -0.258 57.757 58.000 0.025 0.000 1.318 1037 F CB 0.180 39.221 39.000 0.068 0.000 1.035 1037 F HN 0.014 nan 8.300 nan 0.000 0.551 1038 R N 2.083 122.539 120.500 -0.074 0.000 2.216 1038 R HA 0.202 4.542 4.340 0.000 0.000 0.332 1038 R C -0.076 176.026 176.300 -0.330 0.000 1.056 1038 R CA -0.170 55.661 56.100 -0.448 0.000 0.901 1038 R CB 0.484 30.510 30.300 -0.456 0.000 1.039 1038 R HN 0.308 nan 8.270 nan 0.000 0.456 1039 Q N 4.625 124.197 119.800 -0.380 0.000 2.368 1039 Q HA 0.127 4.467 4.340 0.000 0.000 0.237 1039 Q C -1.650 174.199 176.000 -0.251 0.000 0.987 1039 Q CA -1.841 53.809 55.803 -0.256 0.000 0.896 1039 Q CB 0.858 29.452 28.738 -0.240 0.000 1.241 1039 Q HN 0.481 nan 8.270 nan 0.000 0.485 1040 P HA -0.167 nan 4.420 nan 0.000 0.221 1040 P C 0.700 177.927 177.300 -0.122 0.000 1.145 1040 P CA 1.271 64.301 63.100 -0.117 0.000 0.795 1040 P CB 0.139 31.799 31.700 -0.067 0.000 0.775 1041 S N -2.636 112.962 115.700 -0.171 0.000 2.701 1041 S HA 0.114 4.584 4.470 0.000 0.000 0.220 1041 S C 0.935 175.355 174.600 -0.299 0.000 0.954 1041 S CA 0.291 58.395 58.200 -0.159 0.000 0.936 1041 S CB -1.023 62.093 63.200 -0.141 0.000 0.777 1041 S HN 0.009 nan 8.310 nan 0.000 0.518 1042 S N -0.568 114.941 115.700 -0.318 0.000 3.146 1042 S HA -0.174 4.296 4.470 0.000 0.000 0.285 1042 S C 0.557 174.812 174.600 -0.575 0.000 1.293 1042 S CA 0.773 58.769 58.200 -0.340 0.000 1.137 1042 S CB -2.149 60.982 63.200 -0.116 0.000 1.357 1042 S HN 1.263 nan 8.310 nan 0.000 0.678 1043 A N -0.274 122.034 122.820 -0.854 0.000 2.247 1043 A HA 0.880 5.201 4.320 0.000 0.000 0.313 1043 A C -0.296 176.754 177.584 -0.890 0.000 1.109 1043 A CA -0.348 51.065 52.037 -1.040 0.000 0.890 1043 A CB 0.569 18.443 19.000 -1.877 0.000 1.239 1043 A HN 0.254 nan 8.150 nan 0.000 0.506 1044 F N -1.601 118.114 119.950 -0.392 0.000 2.593 1044 F HA 0.761 5.288 4.527 0.000 0.000 0.320 1044 F C 0.509 176.230 175.800 -0.131 0.000 1.060 1044 F CA 0.284 58.166 58.000 -0.198 0.000 0.940 1044 F CB 2.443 41.347 39.000 -0.160 0.000 1.268 1044 F HN 0.870 nan 8.300 nan 0.000 0.475 1045 A N 0.238 123.133 122.820 0.125 0.000 2.564 1045 A HA 0.692 5.013 4.320 0.000 0.000 0.291 1045 A C 0.123 177.689 177.584 -0.031 0.000 1.102 1045 A CA -0.167 51.908 52.037 0.063 0.000 0.660 1045 A CB 0.363 19.401 19.000 0.063 0.000 1.283 1045 A HN 1.038 nan 8.150 nan 0.000 0.430 1046 A N -0.582 122.167 122.820 -0.118 0.000 1.940 1046 A HA 0.383 4.703 4.320 0.000 0.000 0.219 1046 A C 0.408 177.499 177.584 -0.820 0.000 1.176 1046 A CA 1.853 53.598 52.037 -0.487 0.000 0.631 1046 A CB -0.521 18.234 19.000 -0.408 0.000 0.814 1046 A HN 0.982 nan 8.150 nan 0.000 0.446 1047 F N -3.679 116.356 119.950 0.141 0.000 2.664 1047 F HA 0.400 4.927 4.527 0.000 0.000 0.317 1047 F C 0.906 176.806 175.800 0.168 0.000 1.108 1047 F CA -0.426 57.709 58.000 0.224 0.000 0.957 1047 F CB 1.663 40.752 39.000 0.149 0.000 1.365 1047 F HN -0.125 nan 8.300 nan 0.000 0.475 1048 V N -1.567 118.554 119.914 0.344 0.000 3.444 1048 V HA 0.020 4.140 4.120 0.000 0.000 0.271 1048 V C 0.908 177.073 176.094 0.118 0.000 1.188 1048 V CA 1.347 63.740 62.300 0.155 0.000 1.168 1048 V CB -1.092 30.773 31.823 0.070 0.000 0.810 1048 V HN 0.831 nan 8.190 nan 0.000 0.500 1049 K N 0.334 120.835 120.400 0.168 0.000 2.329 1049 K HA 0.240 4.560 4.320 0.000 0.000 0.198 1049 K C 1.278 177.947 176.600 0.114 0.000 1.085 1049 K CA -0.387 55.961 56.287 0.103 0.000 0.961 1049 K CB 0.295 32.831 32.500 0.060 0.000 0.971 1049 K HN 0.387 nan 8.250 nan 0.000 0.502 1050 R N 1.873 122.485 120.500 0.187 0.000 2.643 1050 R HA 0.180 4.520 4.340 0.000 0.000 0.270 1050 R C -0.478 175.896 176.300 0.123 0.000 1.061 1050 R CA -0.013 56.190 56.100 0.172 0.000 1.107 1050 R CB 0.504 30.963 30.300 0.265 0.000 0.999 1050 R HN 0.100 nan 8.270 nan 0.000 0.460 1051 A N 5.515 128.400 122.820 0.108 0.000 2.531 1051 A HA 0.207 4.527 4.320 0.000 0.000 0.236 1051 A C -2.074 175.577 177.584 0.113 0.000 1.062 1051 A CA -1.063 51.037 52.037 0.105 0.000 0.760 1051 A CB -0.219 18.846 19.000 0.109 0.000 0.995 1051 A HN 0.580 nan 8.150 nan 0.000 0.501 1052 P HA 0.070 nan 4.420 nan 0.000 0.264 1052 P C -0.296 177.132 177.300 0.212 0.000 1.193 1052 P CA 0.372 63.517 63.100 0.074 0.000 0.763 1052 P CB 0.670 32.393 31.700 0.037 0.000 0.810 1053 S N 2.102 117.912 115.700 0.185 0.000 2.422 1053 S HA 0.185 4.655 4.470 0.000 0.000 0.298 1053 S C 1.305 176.138 174.600 0.388 0.000 1.118 1053 S CA -0.349 58.010 58.200 0.264 0.000 1.083 1053 S CB -0.106 63.224 63.200 0.216 0.000 0.971 1053 S HN 0.350 nan 8.310 nan 0.000 0.478 1054 T N 4.615 119.439 114.554 0.450 0.000 2.720 1054 T HA -0.132 4.218 4.350 0.000 0.000 0.268 1054 T C 1.204 176.137 174.700 0.389 0.000 1.037 1054 T CA 1.630 64.017 62.100 0.477 0.000 1.144 1054 T CB -0.341 68.716 68.868 0.316 0.000 0.864 1054 T HN 0.885 nan 8.240 nan 0.000 0.444 1055 W N 1.295 122.693 121.300 0.163 0.000 2.378 1055 W HA -0.009 4.651 4.660 0.000 0.000 0.313 1055 W C 1.966 178.577 176.519 0.153 0.000 1.197 1055 W CA 0.437 57.847 57.345 0.108 0.000 1.304 1055 W CB -0.581 28.850 29.460 -0.047 0.000 1.148 1055 W HN 0.115 nan 8.180 nan 0.000 0.494 1056 L N 0.800 122.290 121.223 0.446 0.000 2.042 1056 L HA -0.194 4.146 4.340 0.000 0.000 0.210 1056 L C 2.289 179.171 176.870 0.019 0.000 1.076 1056 L CA 2.795 57.769 54.840 0.223 0.000 0.749 1056 L CB -1.364 40.848 42.059 0.256 0.000 0.893 1056 L HN -0.031 nan 8.230 nan 0.000 0.432 1057 T N -0.224 114.409 114.554 0.131 0.000 2.746 1057 T HA -0.160 4.190 4.350 0.000 0.000 0.267 1057 T C 1.866 176.574 174.700 0.014 0.000 1.039 1057 T CA 1.368 63.555 62.100 0.146 0.000 1.142 1057 T CB -0.505 68.528 68.868 0.275 0.000 0.866 1057 T HN 0.532 nan 8.240 nan 0.000 0.444 1058 A N 0.112 122.936 122.820 0.007 0.000 1.968 1058 A HA -0.013 4.307 4.320 0.000 0.000 0.217 1058 A C 2.068 179.512 177.584 -0.233 0.000 1.169 1058 A CA 1.120 53.096 52.037 -0.102 0.000 0.638 1058 A CB -0.844 18.113 19.000 -0.071 0.000 0.812 1058 A HN 0.590 nan 8.150 nan 0.000 0.446 1059 Y N 0.493 120.528 120.300 -0.442 0.000 2.200 1059 Y HA -0.138 4.412 4.550 0.000 0.000 0.290 1059 Y C 2.280 177.901 175.900 -0.466 0.000 1.137 1059 Y CA 1.741 59.517 58.100 -0.539 0.000 1.163 1059 Y CB -0.203 37.695 38.460 -0.936 0.000 0.988 1059 Y HN 0.062 nan 8.280 nan 0.000 0.518 1060 V N -0.719 118.932 119.914 -0.439 0.000 2.332 1060 V HA -0.349 3.771 4.120 0.000 0.000 0.248 1060 V C 2.302 177.999 176.094 -0.662 0.000 1.055 1060 V CA 1.873 63.744 62.300 -0.715 0.000 1.038 1060 V CB -0.928 30.140 31.823 -1.258 0.000 0.651 1060 V HN 0.361 nan 8.190 nan 0.000 0.450 1061 V N -0.101 119.535 119.914 -0.463 0.000 2.407 1061 V HA -0.292 3.828 4.120 0.000 0.000 0.248 1061 V C 2.403 178.366 176.094 -0.219 0.000 1.055 1061 V CA 2.318 64.457 62.300 -0.267 0.000 1.049 1061 V CB -0.740 30.978 31.823 -0.174 0.000 0.662 1061 V HN 0.581 nan 8.190 nan 0.000 0.455 1062 K N 0.071 120.251 120.400 -0.367 0.000 2.057 1062 K HA -0.158 4.162 4.320 0.000 0.000 0.207 1062 K C 2.009 178.445 176.600 -0.274 0.000 1.049 1062 K CA 1.759 57.830 56.287 -0.361 0.000 0.931 1062 K CB -0.102 32.047 32.500 -0.585 0.000 0.714 1062 K HN 0.364 nan 8.250 nan 0.000 0.440 1063 V N 0.644 120.300 119.914 -0.431 0.000 2.407 1063 V HA -0.150 3.970 4.120 0.000 0.000 0.245 1063 V C 2.054 178.207 176.094 0.098 0.000 1.041 1063 V CA 1.260 63.430 62.300 -0.217 0.000 1.040 1063 V CB -0.538 31.085 31.823 -0.335 0.000 0.671 1063 V HN 0.188 nan 8.190 nan 0.000 0.455 1064 F N 1.204 121.057 119.950 -0.163 0.000 2.134 1064 F HA -0.116 4.411 4.527 0.000 0.000 0.299 1064 F C 2.655 178.427 175.800 -0.047 0.000 1.097 1064 F CA 1.532 59.496 58.000 -0.061 0.000 1.264 1064 F CB -1.078 37.908 39.000 -0.024 0.000 1.001 1064 F HN 0.064 nan 8.300 nan 0.000 0.479 1065 S N -0.064 115.715 115.700 0.132 0.000 2.507 1065 S HA -0.092 4.378 4.470 0.000 0.000 0.235 1065 S C 2.027 176.647 174.600 0.033 0.000 0.988 1065 S CA 0.574 58.810 58.200 0.060 0.000 0.944 1065 S CB -0.330 62.883 63.200 0.021 0.000 0.762 1065 S HN 0.370 nan 8.310 nan 0.000 0.526 1066 L N 0.341 121.586 121.223 0.036 0.000 2.408 1066 L HA 0.316 4.656 4.340 0.000 0.000 0.215 1066 L C 1.927 178.806 176.870 0.015 0.000 1.081 1066 L CA 0.409 55.254 54.840 0.009 0.000 0.840 1066 L CB -0.206 41.849 42.059 -0.007 0.000 1.002 1066 L HN 0.281 nan 8.230 nan 0.000 0.468 1067 A N -0.751 122.065 122.820 -0.007 0.000 2.251 1067 A HA 0.074 4.394 4.320 0.000 0.000 0.209 1067 A C 1.908 179.437 177.584 -0.092 0.000 1.187 1067 A CA 0.735 52.738 52.037 -0.057 0.000 0.823 1067 A CB -0.618 18.298 19.000 -0.139 0.000 0.846 1067 A HN 0.362 nan 8.150 nan 0.000 0.486 1068 V N -2.209 117.672 119.914 -0.054 0.000 2.626 1068 V HA -0.139 3.981 4.120 0.000 0.000 0.252 1068 V C 1.252 177.317 176.094 -0.048 0.000 1.067 1068 V CA 2.066 64.330 62.300 -0.060 0.000 1.081 1068 V CB -0.870 30.942 31.823 -0.019 0.000 0.686 1068 V HN 0.438 nan 8.190 nan 0.000 0.468 1069 N N 0.022 118.711 118.700 -0.018 0.000 2.398 1069 N HA 0.288 5.029 4.740 0.000 0.000 0.188 1069 N C 1.284 176.780 175.510 -0.023 0.000 1.122 1069 N CA 0.727 53.771 53.050 -0.010 0.000 0.866 1069 N CB 0.475 38.976 38.487 0.024 0.000 0.970 1069 N HN 0.516 nan 8.380 nan 0.000 0.462 1070 L N -0.568 120.630 121.223 -0.042 0.000 2.515 1070 L HA 0.387 4.727 4.340 0.000 0.000 0.202 1070 L C 1.008 177.821 176.870 -0.094 0.000 1.056 1070 L CA 0.311 55.118 54.840 -0.054 0.000 0.847 1070 L CB 0.090 42.130 42.059 -0.032 0.000 1.131 1070 L HN 0.018 nan 8.230 nan 0.000 0.484 1071 I N -2.982 117.506 120.570 -0.137 0.000 3.516 1071 I HA 0.758 4.928 4.170 0.000 0.000 0.297 1071 I C -0.565 175.423 176.117 -0.216 0.000 1.139 1071 I CA -1.158 60.032 61.300 -0.184 0.000 1.020 1071 I CB 1.813 39.666 38.000 -0.245 0.000 1.341 1071 I HN -0.188 nan 8.210 nan 0.000 0.490 1072 A N 2.701 125.364 122.820 -0.262 0.000 2.252 1072 A HA 0.665 4.985 4.320 0.000 0.000 0.309 1072 A C -0.518 176.824 177.584 -0.404 0.000 1.285 1072 A CA -0.395 51.498 52.037 -0.240 0.000 0.900 1072 A CB -0.056 18.852 19.000 -0.153 0.000 1.157 1072 A HN 0.465 nan 8.150 nan 0.000 0.536 1073 I N 2.683 123.087 120.570 -0.277 0.000 2.339 1073 I HA 0.185 4.355 4.170 0.000 0.000 0.290 1073 I C -0.109 176.018 176.117 0.017 0.000 0.994 1073 I CA -0.621 60.545 61.300 -0.224 0.000 1.191 1073 I CB 1.371 39.310 38.000 -0.102 0.000 1.343 1073 I HN 0.627 nan 8.210 nan 0.000 0.458 1074 D N 4.047 124.550 120.400 0.173 0.000 2.401 1074 D HA 0.056 4.696 4.640 0.000 0.000 0.254 1074 D C 1.052 177.452 176.300 0.166 0.000 1.192 1074 D CA 0.454 54.562 54.000 0.180 0.000 0.885 1074 D CB 1.102 42.047 40.800 0.242 0.000 1.147 1074 D HN 0.417 nan 8.370 nan 0.000 0.478 1075 S N 2.986 118.750 115.700 0.106 0.000 2.419 1075 S HA -0.157 4.313 4.470 0.000 0.000 0.233 1075 S C 1.692 176.350 174.600 0.097 0.000 1.016 1075 S CA 0.651 58.906 58.200 0.093 0.000 0.974 1075 S CB 0.008 63.244 63.200 0.061 0.000 0.786 1075 S HN 0.574 nan 8.310 nan 0.000 0.492 1076 Q N 0.572 120.429 119.800 0.094 0.000 2.167 1076 Q HA -0.006 4.334 4.340 0.000 0.000 0.202 1076 Q C 2.337 178.392 176.000 0.092 0.000 0.970 1076 Q CA 0.947 56.798 55.803 0.079 0.000 0.855 1076 Q CB -0.493 28.284 28.738 0.064 0.000 0.911 1076 Q HN 0.475 nan 8.270 nan 0.000 0.438 1077 V N 0.599 120.596 119.914 0.139 0.000 2.331 1077 V HA -0.174 3.946 4.120 0.000 0.000 0.242 1077 V C 2.243 178.443 176.094 0.177 0.000 1.034 1077 V CA 0.993 63.393 62.300 0.166 0.000 1.027 1077 V CB -0.640 31.345 31.823 0.269 0.000 0.667 1077 V HN 0.189 nan 8.190 nan 0.000 0.457 1078 L N 0.417 121.763 121.223 0.204 0.000 1.989 1078 L HA -0.179 4.161 4.340 0.000 0.000 0.211 1078 L C 2.337 179.270 176.870 0.105 0.000 1.071 1078 L CA 2.325 57.261 54.840 0.160 0.000 0.749 1078 L CB -0.874 41.293 42.059 0.179 0.000 0.890 1078 L HN 0.385 nan 8.230 nan 0.000 0.431 1079 c N -0.032 118.626 118.600 0.097 0.000 2.448 1079 c HA 0.073 4.643 4.570 0.000 0.000 0.280 1079 c C 2.720 176.863 174.090 0.089 0.000 1.398 1079 c CA 0.250 56.627 56.329 0.080 0.000 1.774 1079 c CB -1.949 40.601 42.510 0.067 0.000 1.888 1079 c HN 0.764 nan 8.230 nan 0.000 0.519 1080 G N 0.743 109.597 108.800 0.090 0.000 2.418 1080 G HA2 -0.023 3.937 3.960 0.000 0.000 0.217 1080 G HA3 -0.023 3.937 3.960 0.000 0.000 0.217 1080 G C 1.847 176.815 174.900 0.114 0.000 1.158 1080 G CA 0.951 46.100 45.100 0.081 0.000 0.771 1080 G HN 0.587 nan 8.290 nan 0.000 0.545 1081 A N -0.036 122.859 122.820 0.125 0.000 1.968 1081 A HA 0.207 4.527 4.320 0.000 0.000 0.217 1081 A C 2.546 180.269 177.584 0.232 0.000 1.169 1081 A CA 1.505 53.652 52.037 0.182 0.000 0.638 1081 A CB -0.334 18.795 19.000 0.214 0.000 0.812 1081 A HN 0.230 nan 8.150 nan 0.000 0.446 1082 V N 0.248 120.252 119.914 0.150 0.000 2.307 1082 V HA -0.233 3.887 4.120 0.000 0.000 0.245 1082 V C 2.495 178.679 176.094 0.150 0.000 1.045 1082 V CA 2.261 64.634 62.300 0.122 0.000 1.024 1082 V CB -0.596 31.270 31.823 0.072 0.000 0.651 1082 V HN 0.682 nan 8.190 nan 0.000 0.449 1083 K N -1.212 119.277 120.400 0.149 0.000 2.147 1083 K HA -0.262 4.058 4.320 0.000 0.000 0.205 1083 K C 1.997 178.702 176.600 0.175 0.000 1.049 1083 K CA 1.859 58.227 56.287 0.134 0.000 0.936 1083 K CB -0.250 32.318 32.500 0.113 0.000 0.722 1083 K HN 0.586 nan 8.250 nan 0.000 0.446 1084 W N 1.339 122.666 121.300 0.046 0.000 2.379 1084 W HA -0.118 4.542 4.660 0.000 0.000 0.307 1084 W C 1.381 177.951 176.519 0.085 0.000 1.200 1084 W CA 1.203 58.578 57.345 0.050 0.000 1.297 1084 W CB -0.238 29.243 29.460 0.036 0.000 1.140 1084 W HN -0.036 nan 8.180 nan 0.000 0.507 1085 L N 0.208 121.532 121.223 0.168 0.000 2.083 1085 L HA -0.245 4.095 4.340 0.000 0.000 0.209 1085 L C 2.347 179.276 176.870 0.097 0.000 1.083 1085 L CA 1.398 56.264 54.840 0.044 0.000 0.752 1085 L CB -0.791 41.369 42.059 0.169 0.000 0.899 1085 L HN 0.066 nan 8.230 nan 0.000 0.433 1086 I N -0.575 120.057 120.570 0.102 0.000 2.141 1086 I HA -0.262 3.908 4.170 0.000 0.000 0.236 1086 I C 2.358 178.443 176.117 -0.052 0.000 1.071 1086 I CA 1.246 62.589 61.300 0.072 0.000 1.345 1086 I CB -0.259 37.786 38.000 0.075 0.000 1.066 1086 I HN 0.150 nan 8.210 nan 0.000 0.406 1087 L N 0.049 121.237 121.223 -0.058 0.000 2.056 1087 L HA -0.136 4.204 4.340 0.000 0.000 0.207 1087 L C 2.624 179.402 176.870 -0.152 0.000 1.078 1087 L CA 1.142 55.934 54.840 -0.080 0.000 0.749 1087 L CB -0.527 41.513 42.059 -0.031 0.000 0.901 1087 L HN 0.271 nan 8.230 nan 0.000 0.433 1088 E N 0.198 120.232 120.200 -0.275 0.000 2.035 1088 E HA 0.000 4.351 4.350 0.000 0.000 0.191 1088 E C 0.818 177.186 176.600 -0.387 0.000 0.966 1088 E CA 0.709 56.882 56.400 -0.379 0.000 0.823 1088 E CB 0.010 29.300 29.700 -0.683 0.000 0.791 1088 E HN 0.133 nan 8.360 nan 0.000 0.459 1089 K N 1.851 121.930 120.400 -0.534 0.000 2.758 1089 K HA 0.216 4.536 4.320 0.000 0.000 0.250 1089 K C -0.252 176.229 176.600 -0.198 0.000 1.268 1089 K CA -0.020 56.060 56.287 -0.344 0.000 1.228 1089 K CB 0.166 32.416 32.500 -0.417 0.000 1.715 1089 K HN 0.171 nan 8.250 nan 0.000 0.334 1090 Q N 1.203 120.837 119.800 -0.277 0.000 2.331 1090 Q HA 0.180 4.520 4.340 0.000 0.000 0.249 1090 Q C -1.195 174.610 176.000 -0.326 0.000 0.913 1090 Q CA -0.396 55.141 55.803 -0.444 0.000 0.874 1090 Q CB 1.451 29.853 28.738 -0.560 0.000 1.384 1090 Q HN 0.143 nan 8.270 nan 0.000 0.427 1091 K N 3.361 123.570 120.400 -0.318 0.000 2.138 1091 K HA 0.241 4.561 4.320 0.000 0.000 0.251 1091 K C -1.828 174.643 176.600 -0.215 0.000 1.015 1091 K CA -1.706 54.447 56.287 -0.223 0.000 0.917 1091 K CB 0.565 32.950 32.500 -0.192 0.000 1.021 1091 K HN 0.355 nan 8.250 nan 0.000 0.485 1092 P HA -0.162 nan 4.420 nan 0.000 0.222 1092 P C -0.117 177.115 177.300 -0.113 0.000 1.142 1092 P CA 1.231 64.263 63.100 -0.113 0.000 0.788 1092 P CB 0.178 31.833 31.700 -0.076 0.000 0.767 1093 D N -1.644 118.669 120.400 -0.145 0.000 2.317 1093 D HA 0.046 4.686 4.640 0.000 0.000 0.211 1093 D C 1.687 177.875 176.300 -0.187 0.000 0.966 1093 D CA 1.336 55.258 54.000 -0.130 0.000 0.876 1093 D CB -0.552 40.154 40.800 -0.158 0.000 0.927 1093 D HN 0.183 nan 8.370 nan 0.000 0.519 1094 G N -0.041 108.587 108.800 -0.287 0.000 2.141 1094 G HA2 -0.247 3.713 3.960 0.000 0.000 0.231 1094 G HA3 -0.247 3.713 3.960 0.000 0.000 0.231 1094 G C 0.184 174.744 174.900 -0.566 0.000 0.984 1094 G CA 0.182 45.075 45.100 -0.346 0.000 0.660 1094 G HN 0.281 nan 8.290 nan 0.000 0.525 1095 V N 0.847 120.370 119.914 -0.651 0.000 2.481 1095 V HA 0.696 4.816 4.120 0.000 0.000 0.286 1095 V C 0.273 176.035 176.094 -0.553 0.000 1.042 1095 V CA -0.591 61.310 62.300 -0.664 0.000 0.928 1095 V CB 1.152 32.549 31.823 -0.710 0.000 0.986 1095 V HN 0.205 nan 8.190 nan 0.000 0.462 1096 F N 3.024 122.889 119.950 -0.142 0.000 2.408 1096 F HA 0.545 5.072 4.527 0.000 0.000 0.344 1096 F C 0.350 176.132 175.800 -0.029 0.000 1.112 1096 F CA -0.182 57.779 58.000 -0.064 0.000 1.096 1096 F CB 1.258 40.261 39.000 0.005 0.000 1.129 1096 F HN 0.434 nan 8.300 nan 0.000 0.486 1097 Q N 2.093 121.965 119.800 0.121 0.000 2.342 1097 Q HA 0.348 4.688 4.340 0.000 0.000 0.267 1097 Q C -1.237 174.835 176.000 0.120 0.000 1.038 1097 Q CA -1.049 54.807 55.803 0.088 0.000 0.832 1097 Q CB 2.021 30.771 28.738 0.019 0.000 1.323 1097 Q HN 0.611 nan 8.270 nan 0.000 0.448 1098 E N 1.941 122.213 120.200 0.120 0.000 2.200 1098 E HA 0.122 4.472 4.350 0.000 0.000 0.283 1098 E C -0.839 175.822 176.600 0.103 0.000 1.015 1098 E CA 0.056 56.537 56.400 0.135 0.000 0.819 1098 E CB 1.030 30.803 29.700 0.121 0.000 1.081 1098 E HN 0.579 nan 8.360 nan 0.000 0.397 1099 D N 3.068 123.543 120.400 0.125 0.000 2.394 1099 D HA 0.175 4.815 4.640 0.000 0.000 0.226 1099 D C -0.264 176.097 176.300 0.101 0.000 0.990 1099 D CA 0.583 54.646 54.000 0.104 0.000 0.902 1099 D CB 0.447 41.318 40.800 0.117 0.000 1.038 1099 D HN 0.372 nan 8.370 nan 0.000 0.499 1100 A N 1.737 124.633 122.820 0.128 0.000 2.842 1100 A HA 0.514 4.834 4.320 0.000 0.000 0.339 1100 A C -2.619 175.021 177.584 0.093 0.000 1.177 1100 A CA -1.276 50.825 52.037 0.107 0.000 0.797 1100 A CB 0.552 19.626 19.000 0.124 0.000 1.094 1100 A HN -0.156 nan 8.150 nan 0.000 0.474 1101 P HA 0.136 nan 4.420 nan 0.000 0.264 1101 P C 0.583 177.876 177.300 -0.013 0.000 1.183 1101 P CA 0.163 63.265 63.100 0.002 0.000 0.763 1101 P CB 0.636 32.318 31.700 -0.031 0.000 0.807 1102 V N 1.710 121.593 119.914 -0.053 0.000 2.872 1102 V HA -0.029 4.091 4.120 0.000 0.000 0.307 1102 V C 1.457 177.505 176.094 -0.076 0.000 1.072 1102 V CA 0.105 62.376 62.300 -0.049 0.000 1.148 1102 V CB -0.368 31.403 31.823 -0.086 0.000 0.954 1102 V HN 0.334 nan 8.190 nan 0.000 0.490 1103 I N 2.053 122.590 120.570 -0.055 0.000 2.163 1103 I HA -0.127 4.044 4.170 0.000 0.000 0.243 1103 I C 1.697 177.685 176.117 -0.215 0.000 1.085 1103 I CA 1.325 62.546 61.300 -0.131 0.000 1.347 1103 I CB -0.875 37.024 38.000 -0.169 0.000 1.044 1103 I HN 0.706 nan 8.210 nan 0.000 0.408 1104 H N 3.088 122.093 119.070 -0.108 0.000 3.205 1104 H HA 0.125 4.681 4.556 0.000 0.000 0.262 1104 H C 0.596 175.791 175.328 -0.222 0.000 1.333 1104 H CA -0.076 55.891 56.048 -0.135 0.000 1.499 1104 H CB 0.365 30.039 29.762 -0.146 0.000 1.609 1104 H HN 0.364 nan 8.280 nan 0.000 0.498 1105 Q N 1.719 121.447 119.800 -0.121 0.000 2.515 1105 Q HA -0.083 4.257 4.340 0.000 0.000 0.212 1105 Q C 1.501 177.370 176.000 -0.217 0.000 0.970 1105 Q CA 0.448 56.134 55.803 -0.195 0.000 0.941 1105 Q CB 0.311 28.971 28.738 -0.130 0.000 0.998 1105 Q HN 0.747 nan 8.270 nan 0.000 0.518 1106 E N -0.219 119.857 120.200 -0.207 0.000 2.472 1106 E HA -0.067 4.283 4.350 0.000 0.000 0.196 1106 E C 1.540 177.951 176.600 -0.316 0.000 1.033 1106 E CA 0.181 56.411 56.400 -0.284 0.000 0.886 1106 E CB -0.153 29.248 29.700 -0.498 0.000 0.944 1106 E HN 0.450 nan 8.360 nan 0.000 0.492 1107 M N 0.041 119.450 119.600 -0.319 0.000 2.502 1107 M HA 0.291 4.771 4.480 0.000 0.000 0.243 1107 M C 1.901 177.978 176.300 -0.371 0.000 1.130 1107 M CA 0.423 55.545 55.300 -0.296 0.000 1.055 1107 M CB -0.440 31.999 32.600 -0.268 0.000 1.457 1107 M HN 0.063 nan 8.290 nan 0.000 0.488 1108 I N -2.343 117.867 120.570 -0.601 0.000 3.419 1108 I HA 0.481 4.651 4.170 0.000 0.000 0.286 1108 I C 1.315 177.245 176.117 -0.312 0.000 1.268 1108 I CA 0.336 61.171 61.300 -0.775 0.000 1.414 1108 I CB -0.650 36.643 38.000 -1.178 0.000 1.074 1108 I HN 0.454 nan 8.210 nan 0.000 0.457 1109 G N 2.172 110.798 108.800 -0.291 0.000 2.601 1109 G HA2 -0.368 3.592 3.960 0.000 0.000 0.306 1109 G HA3 -0.368 3.592 3.960 0.000 0.000 0.306 1109 G C 0.913 175.431 174.900 -0.637 0.000 1.172 1109 G CA 0.218 45.123 45.100 -0.325 0.000 0.966 1109 G HN 0.670 nan 8.290 nan 0.000 0.542 1110 G N -0.506 107.973 108.800 -0.534 0.000 3.181 1110 G HA2 0.441 4.401 3.960 0.000 0.000 0.219 1110 G HA3 0.441 4.401 3.960 0.000 0.000 0.219 1110 G C 1.091 175.715 174.900 -0.460 0.000 1.182 1110 G CA 0.982 45.533 45.100 -0.915 0.000 0.791 1110 G HN 0.554 nan 8.290 nan 0.000 0.537 1111 L N -0.632 120.457 121.223 -0.224 0.000 2.640 1111 L HA 0.394 4.734 4.340 0.000 0.000 0.230 1111 L C 2.373 179.165 176.870 -0.129 0.000 1.123 1111 L CA 0.115 54.883 54.840 -0.121 0.000 0.900 1111 L CB -0.031 41.931 42.059 -0.161 0.000 1.146 1111 L HN 0.129 nan 8.230 nan 0.000 0.484 1112 R N 0.472 120.907 120.500 -0.109 0.000 2.070 1112 R HA -0.113 4.227 4.340 0.000 0.000 0.232 1112 R C 0.845 177.140 176.300 -0.009 0.000 1.138 1112 R CA 1.158 57.223 56.100 -0.058 0.000 0.936 1112 R CB -0.044 30.271 30.300 0.025 0.000 0.839 1112 R HN 0.250 nan 8.270 nan 0.000 0.429 1113 N N 1.854 120.582 118.700 0.046 0.000 2.405 1113 N HA -0.053 4.687 4.740 0.000 0.000 0.260 1113 N C -1.599 173.904 175.510 -0.013 0.000 1.152 1113 N CA -0.198 52.839 53.050 -0.022 0.000 0.948 1113 N CB 0.473 38.894 38.487 -0.110 0.000 1.111 1113 N HN 0.254 nan 8.380 nan 0.000 0.485 1114 N N 2.409 121.103 118.700 -0.010 0.000 2.955 1114 N HA 0.086 4.826 4.740 0.000 0.000 0.242 1114 N C 0.003 175.524 175.510 0.018 0.000 1.123 1114 N CA -0.558 52.499 53.050 0.013 0.000 0.949 1114 N CB 0.511 39.005 38.487 0.012 0.000 1.214 1114 N HN 0.386 nan 8.380 nan 0.000 0.504 1115 N N 1.822 120.535 118.700 0.022 0.000 2.376 1115 N HA -0.058 4.682 4.740 0.000 0.000 0.177 1115 N C -0.615 174.921 175.510 0.043 0.000 1.024 1115 N CA 0.837 53.901 53.050 0.023 0.000 0.893 1115 N CB 0.315 38.810 38.487 0.014 0.000 0.980 1115 N HN 0.622 nan 8.380 nan 0.000 0.439 1116 E N -0.425 119.816 120.200 0.067 0.000 3.909 1116 E HA 0.065 4.415 4.350 0.000 0.000 0.236 1116 E C 0.003 176.674 176.600 0.120 0.000 1.222 1116 E CA -0.207 56.246 56.400 0.090 0.000 1.205 1116 E CB 1.089 30.842 29.700 0.089 0.000 1.249 1116 E HN -0.016 nan 8.360 nan 0.000 0.411 1117 K N 1.060 121.522 120.400 0.103 0.000 2.074 1117 K HA -0.208 4.112 4.320 0.000 0.000 0.209 1117 K C 1.133 177.825 176.600 0.153 0.000 1.048 1117 K CA 1.936 58.288 56.287 0.110 0.000 0.926 1117 K CB 0.097 32.642 32.500 0.076 0.000 0.713 1117 K HN 0.159 nan 8.250 nan 0.000 0.444 1118 D N -0.265 120.238 120.400 0.171 0.000 2.084 1118 D HA -0.172 4.468 4.640 0.000 0.000 0.194 1118 D C 1.884 178.394 176.300 0.351 0.000 0.990 1118 D CA 1.362 55.498 54.000 0.227 0.000 0.826 1118 D CB -0.154 40.815 40.800 0.282 0.000 0.971 1118 D HN 0.192 nan 8.370 nan 0.000 0.453 1119 M N 0.537 120.350 119.600 0.354 0.000 2.159 1119 M HA -0.042 4.438 4.480 0.000 0.000 0.263 1119 M C 2.256 178.728 176.300 0.286 0.000 1.063 1119 M CA 0.830 56.337 55.300 0.344 0.000 1.110 1119 M CB -1.072 31.633 32.600 0.174 0.000 1.374 1119 M HN -0.018 nan 8.290 nan 0.000 0.411 1120 A N 0.309 123.275 122.820 0.242 0.000 1.841 1120 A HA -0.133 4.187 4.320 0.000 0.000 0.214 1120 A C 2.207 179.958 177.584 0.278 0.000 1.195 1120 A CA 1.319 53.502 52.037 0.242 0.000 0.611 1120 A CB -1.038 18.111 19.000 0.248 0.000 0.835 1120 A HN 0.395 nan 8.150 nan 0.000 0.443 1121 L N 0.037 121.418 121.223 0.265 0.000 2.042 1121 L HA -0.124 4.216 4.340 0.000 0.000 0.210 1121 L C 2.403 179.469 176.870 0.326 0.000 1.076 1121 L CA 2.863 57.880 54.840 0.295 0.000 0.749 1121 L CB -1.161 41.044 42.059 0.244 0.000 0.893 1121 L HN 0.393 nan 8.230 nan 0.000 0.432 1122 T N -0.219 114.538 114.554 0.338 0.000 2.833 1122 T HA -0.128 4.222 4.350 0.000 0.000 0.269 1122 T C 1.855 176.756 174.700 0.335 0.000 1.054 1122 T CA 1.248 63.602 62.100 0.424 0.000 1.135 1122 T CB -0.438 68.641 68.868 0.353 0.000 0.869 1122 T HN 0.532 nan 8.240 nan 0.000 0.466 1123 A N 0.546 123.538 122.820 0.287 0.000 1.930 1123 A HA 0.119 4.439 4.320 0.000 0.000 0.215 1123 A C 1.958 179.639 177.584 0.162 0.000 1.176 1123 A CA 0.782 52.940 52.037 0.201 0.000 0.632 1123 A CB -0.790 18.312 19.000 0.169 0.000 0.819 1123 A HN 0.476 nan 8.150 nan 0.000 0.445 1124 F N 0.789 120.781 119.950 0.071 0.000 2.075 1124 F HA -0.154 4.373 4.527 0.000 0.000 0.297 1124 F C 2.222 177.992 175.800 -0.050 0.000 1.113 1124 F CA 2.126 60.162 58.000 0.061 0.000 1.218 1124 F CB -0.204 38.883 39.000 0.146 0.000 0.984 1124 F HN 0.025 nan 8.300 nan 0.000 0.472 1125 V N 0.490 120.414 119.914 0.017 0.000 2.407 1125 V HA -0.268 3.852 4.120 0.000 0.000 0.248 1125 V C 2.295 178.141 176.094 -0.414 0.000 1.055 1125 V CA 1.605 63.689 62.300 -0.360 0.000 1.049 1125 V CB -0.850 30.445 31.823 -0.880 0.000 0.662 1125 V HN 0.431 nan 8.190 nan 0.000 0.455 1126 L N 0.205 121.289 121.223 -0.232 0.000 2.017 1126 L HA -0.140 4.200 4.340 0.000 0.000 0.208 1126 L C 2.201 179.007 176.870 -0.106 0.000 1.073 1126 L CA 1.927 56.718 54.840 -0.081 0.000 0.745 1126 L CB -0.542 41.559 42.059 0.071 0.000 0.894 1126 L HN 0.228 nan 8.230 nan 0.000 0.432 1127 I N -1.086 119.417 120.570 -0.113 0.000 2.208 1127 I HA -0.312 3.858 4.170 0.000 0.000 0.245 1127 I C 2.341 178.372 176.117 -0.143 0.000 1.097 1127 I CA 1.385 62.624 61.300 -0.102 0.000 1.363 1127 I CB -0.521 37.486 38.000 0.012 0.000 1.051 1127 I HN 0.229 nan 8.210 nan 0.000 0.413 1128 S N 0.961 116.511 115.700 -0.249 0.000 2.382 1128 S HA -0.097 4.373 4.470 0.000 0.000 0.228 1128 S C 1.984 176.490 174.600 -0.156 0.000 1.027 1128 S CA 1.189 59.238 58.200 -0.252 0.000 0.991 1128 S CB -0.303 62.682 63.200 -0.358 0.000 0.823 1128 S HN 0.363 nan 8.310 nan 0.000 0.469 1129 L N 1.139 122.278 121.223 -0.139 0.000 2.093 1129 L HA -0.102 4.238 4.340 0.000 0.000 0.208 1129 L C 2.549 179.388 176.870 -0.051 0.000 1.085 1129 L CA 1.087 55.882 54.840 -0.075 0.000 0.755 1129 L CB -0.566 41.465 42.059 -0.046 0.000 0.904 1129 L HN 0.347 nan 8.230 nan 0.000 0.435 1130 Q N -0.081 119.680 119.800 -0.065 0.000 2.369 1130 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 1130 Q C 1.620 177.591 176.000 -0.048 0.000 0.963 1130 Q CA 0.844 56.611 55.803 -0.059 0.000 0.894 1130 Q CB 0.070 28.754 28.738 -0.091 0.000 0.965 1130 Q HN 0.571 nan 8.270 nan 0.000 0.475 1131 E N 0.047 120.219 120.200 -0.047 0.000 2.435 1131 E HA 0.026 4.376 4.350 0.000 0.000 0.195 1131 E C 0.937 177.527 176.600 -0.016 0.000 1.029 1131 E CA 0.481 56.865 56.400 -0.026 0.000 0.865 1131 E CB 0.361 30.046 29.700 -0.025 0.000 0.833 1131 E HN 0.229 nan 8.360 nan 0.000 0.510 1132 A N 0.836 123.643 122.820 -0.020 0.000 2.538 1132 A HA 0.111 4.431 4.320 0.000 0.000 0.269 1132 A C 1.622 179.208 177.584 0.003 0.000 1.231 1132 A CA -0.305 51.730 52.037 -0.003 0.000 0.948 1132 A CB 0.100 19.099 19.000 -0.001 0.000 1.110 1132 A HN -0.024 nan 8.150 nan 0.000 0.529 1133 K N 0.560 120.957 120.400 -0.005 0.000 2.057 1133 K HA -0.169 4.151 4.320 0.000 0.000 0.206 1133 K C 0.603 177.205 176.600 0.003 0.000 1.050 1133 K CA 1.774 58.060 56.287 -0.002 0.000 0.935 1133 K CB -0.063 32.431 32.500 -0.011 0.000 0.715 1133 K HN 0.294 nan 8.250 nan 0.000 0.439 1134 D N 0.486 120.888 120.400 0.002 0.000 2.310 1134 D HA -0.088 4.552 4.640 0.000 0.000 0.212 1134 D C 1.716 178.022 176.300 0.010 0.000 0.965 1134 D CA 0.897 54.900 54.000 0.005 0.000 0.879 1134 D CB 0.116 40.919 40.800 0.004 0.000 0.921 1134 D HN 0.363 nan 8.370 nan 0.000 0.510 1135 I N -0.527 120.052 120.570 0.014 0.000 2.685 1135 I HA -0.077 4.093 4.170 0.000 0.000 0.251 1135 I C 1.268 177.400 176.117 0.025 0.000 1.102 1135 I CA 0.397 61.709 61.300 0.021 0.000 1.442 1135 I CB 0.188 38.204 38.000 0.028 0.000 1.194 1135 I HN -0.090 nan 8.210 nan 0.000 0.448 1136 c N 1.502 120.118 118.600 0.027 0.000 2.377 1136 c HA 0.066 4.637 4.570 0.000 0.000 0.341 1136 c C 2.141 176.246 174.090 0.025 0.000 1.304 1136 c CA -0.160 56.187 56.329 0.031 0.000 1.690 1136 c CB -1.965 40.567 42.510 0.038 0.000 1.808 1136 c HN 0.461 nan 8.230 nan 0.000 0.592 1137 E N 1.177 121.388 120.200 0.019 0.000 2.371 1137 E HA -0.151 4.199 4.350 0.000 0.000 0.194 1137 E C 2.044 178.653 176.600 0.016 0.000 1.012 1137 E CA 0.804 57.213 56.400 0.015 0.000 0.860 1137 E CB 0.259 29.965 29.700 0.010 0.000 0.811 1137 E HN 0.627 nan 8.360 nan 0.000 0.502 1138 E N 0.351 120.562 120.200 0.018 0.000 2.075 1138 E HA -0.100 4.250 4.350 0.000 0.000 0.190 1138 E C 1.803 178.415 176.600 0.020 0.000 0.969 1138 E CA 1.221 57.631 56.400 0.017 0.000 0.815 1138 E CB 0.132 29.842 29.700 0.017 0.000 0.776 1138 E HN 0.243 nan 8.360 nan 0.000 0.457 1139 Q N -0.238 119.577 119.800 0.025 0.000 1.990 1139 Q HA 0.115 4.455 4.340 0.000 0.000 0.195 1139 Q C 0.203 176.221 176.000 0.030 0.000 0.977 1139 Q CA 0.810 56.631 55.803 0.029 0.000 0.828 1139 Q CB 0.059 28.819 28.738 0.036 0.000 0.896 1139 Q HN 0.062 nan 8.270 nan 0.000 0.447 1140 V N 4.075 124.009 119.914 0.034 0.000 2.425 1140 V HA -0.079 4.041 4.120 0.000 0.000 0.276 1140 V C 0.762 176.872 176.094 0.027 0.000 1.017 1140 V CA 0.283 62.604 62.300 0.035 0.000 1.062 1140 V CB 0.205 32.053 31.823 0.042 0.000 0.997 1140 V HN 0.488 nan 8.190 nan 0.000 0.476 1141 N N 3.258 121.972 118.700 0.023 0.000 2.356 1141 N HA -0.079 4.661 4.740 0.000 0.000 0.178 1141 N C 1.372 176.892 175.510 0.015 0.000 1.075 1141 N CA 0.847 53.907 53.050 0.017 0.000 0.889 1141 N CB 0.014 38.509 38.487 0.014 0.000 0.999 1141 N HN 0.623 nan 8.380 nan 0.000 0.464 1142 S N -0.536 115.174 115.700 0.018 0.000 2.597 1142 S HA 0.189 4.659 4.470 0.000 0.000 0.224 1142 S C 1.406 176.018 174.600 0.021 0.000 0.955 1142 S CA -0.570 57.638 58.200 0.015 0.000 0.933 1142 S CB -0.282 62.925 63.200 0.011 0.000 0.788 1142 S HN 0.153 nan 8.310 nan 0.000 0.488 1143 L N 2.616 123.854 121.223 0.025 0.000 2.005 1143 L HA 0.223 4.564 4.340 0.000 0.000 0.207 1143 L C -1.175 175.710 176.870 0.025 0.000 1.072 1143 L CA 1.594 56.453 54.840 0.031 0.000 0.744 1143 L CB -1.337 40.739 42.059 0.029 0.000 0.895 1143 L HN 0.112 nan 8.230 nan 0.000 0.433 1144 P HA -0.108 nan 4.420 nan 0.000 0.216 1144 P C 1.607 178.912 177.300 0.009 0.000 1.150 1144 P CA 1.824 64.929 63.100 0.009 0.000 0.837 1144 P CB -0.397 31.306 31.700 0.004 0.000 0.786 1145 G N -0.800 108.005 108.800 0.008 0.000 2.402 1145 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 1145 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 1145 G C 1.872 176.775 174.900 0.005 0.000 1.162 1145 G CA 1.057 46.159 45.100 0.003 0.000 0.777 1145 G HN 0.314 nan 8.290 nan 0.000 0.539 1146 S N 0.179 115.889 115.700 0.016 0.000 2.368 1146 S HA -0.036 4.434 4.470 0.000 0.000 0.224 1146 S C 2.423 177.058 174.600 0.057 0.000 1.029 1146 S CA 0.952 59.169 58.200 0.029 0.000 0.988 1146 S CB -0.290 62.950 63.200 0.066 0.000 0.838 1146 S HN 0.364 nan 8.310 nan 0.000 0.462 1147 I N 1.115 121.718 120.570 0.055 0.000 2.264 1147 I HA -0.166 4.004 4.170 0.000 0.000 0.248 1147 I C 2.488 178.627 176.117 0.038 0.000 1.111 1147 I CA 1.496 62.827 61.300 0.052 0.000 1.382 1147 I CB -0.809 37.204 38.000 0.022 0.000 1.060 1147 I HN 0.344 nan 8.210 nan 0.000 0.418 1148 T N 0.529 115.096 114.554 0.021 0.000 2.812 1148 T HA -0.098 4.252 4.350 0.000 0.000 0.264 1148 T C 1.957 176.672 174.700 0.024 0.000 1.042 1148 T CA 0.845 62.953 62.100 0.014 0.000 1.140 1148 T CB -0.039 68.831 68.868 0.004 0.000 0.870 1148 T HN 0.163 nan 8.240 nan 0.000 0.445 1149 K N 1.832 122.242 120.400 0.016 0.000 2.009 1149 K HA 0.025 4.345 4.320 0.000 0.000 0.210 1149 K C 2.619 179.246 176.600 0.045 0.000 1.049 1149 K CA 1.538 57.830 56.287 0.007 0.000 0.929 1149 K CB -0.989 31.485 32.500 -0.044 0.000 0.714 1149 K HN 0.370 nan 8.250 nan 0.000 0.440 1150 A N 0.992 123.849 122.820 0.061 0.000 1.972 1150 A HA -0.081 4.239 4.320 0.000 0.000 0.219 1150 A C 2.491 180.190 177.584 0.191 0.000 1.169 1150 A CA 2.111 54.236 52.037 0.147 0.000 0.635 1150 A CB -1.050 18.094 19.000 0.241 0.000 0.810 1150 A HN 0.413 nan 8.150 nan 0.000 0.446 1151 G N -0.020 108.845 108.800 0.109 0.000 2.421 1151 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 1151 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 1151 G C 1.073 176.011 174.900 0.064 0.000 1.171 1151 G CA 1.181 46.320 45.100 0.064 0.000 0.775 1151 G HN 0.466 nan 8.290 nan 0.000 0.543 1152 D N -0.038 120.405 120.400 0.071 0.000 2.182 1152 D HA -0.112 4.528 4.640 0.000 0.000 0.201 1152 D C 1.885 178.244 176.300 0.098 0.000 0.986 1152 D CA 0.546 54.583 54.000 0.062 0.000 0.847 1152 D CB -0.334 40.500 40.800 0.056 0.000 0.942 1152 D HN 0.347 nan 8.370 nan 0.000 0.467 1153 F N 1.171 121.126 119.950 0.009 0.000 2.084 1153 F HA -0.056 4.471 4.527 0.000 0.000 0.296 1153 F C 2.029 177.857 175.800 0.047 0.000 1.111 1153 F CA 1.085 59.099 58.000 0.022 0.000 1.224 1153 F CB -0.352 38.659 39.000 0.018 0.000 0.991 1153 F HN -0.138 nan 8.300 nan 0.000 0.471 1154 L N 0.242 121.450 121.223 -0.025 0.000 2.083 1154 L HA -0.205 4.135 4.340 0.000 0.000 0.209 1154 L C 2.462 179.285 176.870 -0.080 0.000 1.083 1154 L CA 1.924 56.705 54.840 -0.099 0.000 0.752 1154 L CB -0.902 41.215 42.059 0.096 0.000 0.899 1154 L HN 0.296 nan 8.230 nan 0.000 0.433 1155 E N 0.442 120.606 120.200 -0.059 0.000 2.274 1155 E HA -0.161 4.189 4.350 0.000 0.000 0.194 1155 E C 1.980 178.556 176.600 -0.040 0.000 0.996 1155 E CA 0.828 57.197 56.400 -0.052 0.000 0.840 1155 E CB 0.136 29.801 29.700 -0.059 0.000 0.772 1155 E HN 0.461 nan 8.360 nan 0.000 0.491 1156 A N 0.433 123.199 122.820 -0.090 0.000 2.218 1156 A HA 0.051 4.371 4.320 0.000 0.000 0.209 1156 A C 1.096 178.613 177.584 -0.110 0.000 1.168 1156 A CA 0.256 52.243 52.037 -0.084 0.000 0.804 1156 A CB 0.215 19.171 19.000 -0.075 0.000 0.834 1156 A HN 0.186 nan 8.150 nan 0.000 0.482 1157 N N -2.469 116.135 118.700 -0.160 0.000 2.118 1157 N HA 0.069 4.809 4.740 0.000 0.000 0.226 1157 N C 0.615 176.089 175.510 -0.059 0.000 1.305 1157 N CA -0.121 52.838 53.050 -0.152 0.000 0.890 1157 N CB -0.133 38.167 38.487 -0.311 0.000 1.118 1157 N HN 0.481 nan 8.380 nan 0.000 0.511 1158 Y N 1.490 121.723 120.300 -0.113 0.000 2.421 1158 Y HA 0.071 4.621 4.550 0.000 0.000 0.292 1158 Y C 1.666 177.556 175.900 -0.017 0.000 1.136 1158 Y CA 1.231 59.300 58.100 -0.052 0.000 1.255 1158 Y CB 0.252 38.688 38.460 -0.040 0.000 0.991 1158 Y HN -0.103 nan 8.280 nan 0.000 0.552 1159 M N -0.056 119.584 119.600 0.066 0.000 2.563 1159 M HA 0.022 4.502 4.480 0.000 0.000 0.231 1159 M C 0.198 176.478 176.300 -0.033 0.000 1.136 1159 M CA 0.655 55.970 55.300 0.025 0.000 1.026 1159 M CB -0.493 32.137 32.600 0.050 0.000 1.597 1159 M HN 0.285 nan 8.290 nan 0.000 0.495 1160 N N 0.015 118.678 118.700 -0.062 0.000 2.159 1160 N HA 0.264 5.004 4.740 0.000 0.000 0.217 1160 N C 0.197 175.665 175.510 -0.070 0.000 1.223 1160 N CA 0.025 53.042 53.050 -0.055 0.000 0.896 1160 N CB 0.969 39.431 38.487 -0.042 0.000 1.064 1160 N HN 0.289 nan 8.380 nan 0.000 0.518 1161 L N 0.777 121.927 121.223 -0.122 0.000 2.467 1161 L HA 0.088 4.429 4.340 0.000 0.000 0.270 1161 L C 1.393 178.217 176.870 -0.076 0.000 1.205 1161 L CA 0.198 54.970 54.840 -0.114 0.000 0.828 1161 L CB 0.650 42.584 42.059 -0.209 0.000 1.101 1161 L HN -0.017 nan 8.230 nan 0.000 0.479 1162 Q N 0.914 120.692 119.800 -0.037 0.000 2.534 1162 Q HA 0.207 4.547 4.340 0.000 0.000 0.252 1162 Q C 0.200 176.201 176.000 0.002 0.000 0.850 1162 Q CA 0.397 56.189 55.803 -0.019 0.000 0.974 1162 Q CB 0.520 29.251 28.738 -0.011 0.000 1.205 1162 Q HN 0.533 nan 8.270 nan 0.000 0.593 1163 R N 0.952 121.470 120.500 0.030 0.000 2.438 1163 R HA 0.251 4.591 4.340 0.000 0.000 0.287 1163 R C 1.157 177.521 176.300 0.108 0.000 1.077 1163 R CA -0.003 56.141 56.100 0.075 0.000 1.034 1163 R CB 0.710 31.078 30.300 0.113 0.000 0.993 1163 R HN 0.019 nan 8.270 nan 0.000 0.459 1164 S N 1.778 117.559 115.700 0.135 0.000 2.419 1164 S HA -0.191 4.279 4.470 0.000 0.000 0.233 1164 S C 1.454 176.206 174.600 0.254 0.000 1.016 1164 S CA 1.015 59.334 58.200 0.199 0.000 0.974 1164 S CB -0.236 63.075 63.200 0.186 0.000 0.786 1164 S HN 0.648 nan 8.310 nan 0.000 0.492 1165 Y N 2.683 123.062 120.300 0.133 0.000 2.133 1165 Y HA -0.195 4.355 4.550 0.000 0.000 0.287 1165 Y C 2.571 178.519 175.900 0.080 0.000 1.134 1165 Y CA 1.941 60.115 58.100 0.124 0.000 1.133 1165 Y CB -0.931 37.615 38.460 0.143 0.000 0.987 1165 Y HN 0.158 nan 8.280 nan 0.000 0.502 1166 T N -0.166 114.512 114.554 0.206 0.000 2.759 1166 T HA -0.182 4.168 4.350 0.000 0.000 0.269 1166 T C 2.008 176.717 174.700 0.015 0.000 1.042 1166 T CA 1.602 63.758 62.100 0.093 0.000 1.140 1166 T CB -0.714 68.233 68.868 0.133 0.000 0.864 1166 T HN 0.230 nan 8.240 nan 0.000 0.455 1167 V N 1.474 121.401 119.914 0.022 0.000 2.407 1167 V HA -0.149 3.971 4.120 0.000 0.000 0.248 1167 V C 2.799 179.047 176.094 0.256 0.000 1.055 1167 V CA 1.634 63.955 62.300 0.034 0.000 1.049 1167 V CB -1.100 30.752 31.823 0.048 0.000 0.662 1167 V HN 0.541 nan 8.190 nan 0.000 0.455 1168 A N -0.308 122.557 122.820 0.076 0.000 1.874 1168 A HA -0.088 4.232 4.320 0.000 0.000 0.214 1168 A C 2.231 179.820 177.584 0.009 0.000 1.189 1168 A CA 1.627 53.675 52.037 0.019 0.000 0.615 1168 A CB -0.442 18.395 19.000 -0.270 0.000 0.830 1168 A HN 0.470 nan 8.150 nan 0.000 0.443 1169 I N -0.713 119.701 120.570 -0.259 0.000 2.394 1169 I HA -0.160 4.010 4.170 0.000 0.000 0.251 1169 I C 2.405 178.498 176.117 -0.040 0.000 1.136 1169 I CA 1.273 62.335 61.300 -0.397 0.000 1.425 1169 I CB -0.046 37.507 38.000 -0.746 0.000 1.079 1169 I HN 0.306 nan 8.210 nan 0.000 0.425 1170 A N 0.214 123.079 122.820 0.076 0.000 2.021 1170 A HA 0.081 4.401 4.320 0.000 0.000 0.216 1170 A C 2.274 179.950 177.584 0.153 0.000 1.163 1170 A CA 1.018 53.164 52.037 0.181 0.000 0.676 1170 A CB -1.091 18.088 19.000 0.298 0.000 0.818 1170 A HN 0.483 nan 8.150 nan 0.000 0.453 1171 G N -1.475 107.458 108.800 0.222 0.000 2.408 1171 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 1171 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 1171 G C 1.503 176.243 174.900 -0.266 0.000 1.150 1171 G CA 1.232 46.250 45.100 -0.137 0.000 0.776 1171 G HN 0.559 nan 8.290 nan 0.000 0.542 1172 Y N 2.011 122.198 120.300 -0.189 0.000 2.373 1172 Y HA 0.215 4.765 4.550 0.000 0.000 0.293 1172 Y C 2.717 178.560 175.900 -0.094 0.000 1.129 1172 Y CA 0.689 58.708 58.100 -0.136 0.000 1.226 1172 Y CB -0.211 38.265 38.460 0.027 0.000 1.000 1172 Y HN 0.230 nan 8.280 nan 0.000 0.549 1173 A N 0.026 122.759 122.820 -0.145 0.000 1.929 1173 A HA -0.065 4.255 4.320 0.000 0.000 0.216 1173 A C 2.134 179.586 177.584 -0.220 0.000 1.176 1173 A CA 1.587 53.508 52.037 -0.193 0.000 0.628 1173 A CB -0.867 18.113 19.000 -0.034 0.000 0.816 1173 A HN 0.509 nan 8.150 nan 0.000 0.444 1174 L N -1.181 119.906 121.223 -0.227 0.000 2.341 1174 L HA 0.014 4.354 4.340 0.000 0.000 0.214 1174 L C 2.885 179.592 176.870 -0.272 0.000 1.115 1174 L CA 0.632 55.324 54.840 -0.247 0.000 0.820 1174 L CB -0.380 41.482 42.059 -0.328 0.000 0.944 1174 L HN 0.400 nan 8.230 nan 0.000 0.452 1175 A N -0.110 122.519 122.820 -0.319 0.000 1.930 1175 A HA -0.200 4.120 4.320 0.000 0.000 0.217 1175 A C 2.182 179.613 177.584 -0.256 0.000 1.175 1175 A CA 1.156 53.020 52.037 -0.288 0.000 0.627 1175 A CB -0.321 18.513 19.000 -0.277 0.000 0.815 1175 A HN 0.438 nan 8.150 nan 0.000 0.443 1176 Q N -1.034 118.566 119.800 -0.334 0.000 2.364 1176 Q HA -0.003 4.337 4.340 0.000 0.000 0.207 1176 Q C 1.638 177.531 176.000 -0.178 0.000 0.970 1176 Q CA 1.262 56.897 55.803 -0.279 0.000 0.888 1176 Q CB -0.189 28.330 28.738 -0.364 0.000 0.951 1176 Q HN 0.736 nan 8.270 nan 0.000 0.469 1177 M N -1.668 117.831 119.600 -0.169 0.000 2.382 1177 M HA 0.192 4.672 4.480 0.000 0.000 0.247 1177 M C 0.969 177.203 176.300 -0.110 0.000 1.104 1177 M CA 0.494 55.723 55.300 -0.120 0.000 1.030 1177 M CB 0.840 33.376 32.600 -0.107 0.000 1.424 1177 M HN 0.283 nan 8.290 nan 0.000 0.486 1178 G N 1.962 110.683 108.800 -0.131 0.000 2.168 1178 G HA2 -0.291 3.669 3.960 0.000 0.000 0.257 1178 G HA3 -0.291 3.669 3.960 0.000 0.000 0.257 1178 G C 0.603 175.433 174.900 -0.116 0.000 0.997 1178 G CA 0.283 45.313 45.100 -0.116 0.000 0.708 1178 G HN 0.533 nan 8.290 nan 0.000 0.520 1179 R N -1.021 119.396 120.500 -0.137 0.000 2.480 1179 R HA 0.337 4.677 4.340 0.000 0.000 0.277 1179 R C 0.499 176.692 176.300 -0.178 0.000 1.008 1179 R CA -0.303 55.718 56.100 -0.131 0.000 1.090 1179 R CB 0.330 30.562 30.300 -0.114 0.000 1.234 1179 R HN 0.278 nan 8.270 nan 0.000 0.549 1180 L N 1.621 122.719 121.223 -0.208 0.000 2.494 1180 L HA 0.306 4.646 4.340 0.000 0.000 0.251 1180 L C -0.758 176.008 176.870 -0.173 0.000 1.119 1180 L CA 0.069 54.751 54.840 -0.263 0.000 1.026 1180 L CB -0.092 41.750 42.059 -0.361 0.000 1.370 1180 L HN -0.081 nan 8.230 nan 0.000 0.426 1181 K N 1.170 121.496 120.400 -0.124 0.000 2.409 1181 K HA 0.865 5.185 4.320 0.000 0.000 0.252 1181 K C 0.501 177.075 176.600 -0.045 0.000 1.036 1181 K CA -0.645 55.598 56.287 -0.074 0.000 0.871 1181 K CB 1.335 33.798 32.500 -0.061 0.000 1.374 1181 K HN 0.383 nan 8.250 nan 0.000 0.459 1182 G N 0.929 109.715 108.800 -0.024 0.000 2.611 1182 G HA2 -0.284 3.676 3.960 0.000 0.000 0.301 1182 G HA3 -0.284 3.676 3.960 0.000 0.000 0.301 1182 G C -1.753 173.154 174.900 0.011 0.000 1.233 1182 G CA 0.270 45.366 45.100 -0.007 0.000 0.993 1182 G HN 0.509 nan 8.290 nan 0.000 0.553 1183 P HA -0.008 nan 4.420 nan 0.000 0.216 1183 P C 2.296 179.650 177.300 0.090 0.000 1.150 1183 P CA 1.616 64.743 63.100 0.046 0.000 0.837 1183 P CB -0.121 31.603 31.700 0.040 0.000 0.786 1184 L N -1.482 119.791 121.223 0.083 0.000 2.017 1184 L HA -0.153 4.187 4.340 0.000 0.000 0.208 1184 L C 2.370 179.330 176.870 0.150 0.000 1.073 1184 L CA 1.578 56.504 54.840 0.142 0.000 0.745 1184 L CB -1.789 40.226 42.059 -0.074 0.000 0.894 1184 L HN -0.041 nan 8.230 nan 0.000 0.432 1185 L N -0.242 121.006 121.223 0.042 0.000 2.083 1185 L HA -0.177 4.163 4.340 0.000 0.000 0.209 1185 L C 2.266 179.221 176.870 0.141 0.000 1.083 1185 L CA 1.555 56.434 54.840 0.064 0.000 0.752 1185 L CB -0.891 41.163 42.059 -0.008 0.000 0.899 1185 L HN 0.354 nan 8.230 nan 0.000 0.433 1186 N N 0.129 118.887 118.700 0.097 0.000 2.142 1186 N HA -0.248 4.493 4.740 0.000 0.000 0.186 1186 N C 1.937 177.505 175.510 0.096 0.000 1.023 1186 N CA 1.718 54.809 53.050 0.068 0.000 0.852 1186 N CB -0.148 38.362 38.487 0.039 0.000 0.998 1186 N HN 0.473 nan 8.380 nan 0.000 0.424 1187 K N -0.909 119.587 120.400 0.160 0.000 2.057 1187 K HA -0.135 4.185 4.320 0.000 0.000 0.206 1187 K C 2.035 178.769 176.600 0.223 0.000 1.050 1187 K CA 0.928 57.309 56.287 0.157 0.000 0.935 1187 K CB -0.407 32.193 32.500 0.166 0.000 0.715 1187 K HN 0.195 nan 8.250 nan 0.000 0.439 1188 F N 1.662 121.755 119.950 0.239 0.000 2.161 1188 F HA -0.162 4.365 4.527 0.000 0.000 0.300 1188 F C 1.517 177.505 175.800 0.314 0.000 1.089 1188 F CA 1.382 59.576 58.000 0.323 0.000 1.282 1188 F CB 0.001 39.179 39.000 0.297 0.000 1.010 1188 F HN -0.023 nan 8.300 nan 0.000 0.485 1189 L N -0.435 120.827 121.223 0.065 0.000 2.127 1189 L HA -0.109 4.231 4.340 0.000 0.000 0.203 1189 L C 2.573 179.281 176.870 -0.271 0.000 1.080 1189 L CA 1.490 56.186 54.840 -0.240 0.000 0.768 1189 L CB -1.254 40.619 42.059 -0.311 0.000 0.924 1189 L HN 0.248 nan 8.230 nan 0.000 0.444 1190 T N -4.565 109.903 114.554 -0.143 0.000 2.951 1190 T HA -0.128 4.222 4.350 0.000 0.000 0.268 1190 T C 1.790 176.378 174.700 -0.186 0.000 1.073 1190 T CA 1.425 63.443 62.100 -0.138 0.000 1.134 1190 T CB -0.587 68.238 68.868 -0.072 0.000 0.884 1190 T HN 0.142 nan 8.240 nan 0.000 0.479 1191 T N 2.500 116.948 114.554 -0.177 0.000 2.720 1191 T HA 0.151 4.501 4.350 0.000 0.000 0.268 1191 T C 1.183 175.606 174.700 -0.462 0.000 1.037 1191 T CA 0.985 62.964 62.100 -0.202 0.000 1.144 1191 T CB -0.765 68.087 68.868 -0.027 0.000 0.864 1191 T HN 0.740 nan 8.240 nan 0.000 0.444 1192 A N 2.253 124.542 122.820 -0.885 0.000 2.522 1192 A HA 0.252 4.572 4.320 0.000 0.000 0.256 1192 A C 0.387 177.588 177.584 -0.638 0.000 1.086 1192 A CA -0.097 51.180 52.037 -1.266 0.000 0.763 1192 A CB -0.137 17.694 19.000 -1.949 0.000 1.024 1192 A HN 0.391 nan 8.150 nan 0.000 0.502 1193 K N 2.441 122.529 120.400 -0.521 0.000 2.298 1193 K HA 0.190 4.510 4.320 0.000 0.000 0.280 1193 K C -0.465 175.937 176.600 -0.331 0.000 1.032 1193 K CA 0.021 56.107 56.287 -0.336 0.000 0.958 1193 K CB 0.238 32.583 32.500 -0.259 0.000 0.978 1193 K HN 0.738 nan 8.250 nan 0.000 0.472 1194 D N 2.932 123.196 120.400 -0.227 0.000 3.077 1194 D HA -0.196 4.444 4.640 0.000 0.000 0.217 1194 D C -0.852 175.315 176.300 -0.222 0.000 1.162 1194 D CA 1.329 55.215 54.000 -0.190 0.000 0.943 1194 D CB -0.874 39.818 40.800 -0.180 0.000 1.122 1194 D HN 0.864 nan 8.370 nan 0.000 0.413 1195 K N -1.069 119.184 120.400 -0.246 0.000 3.257 1195 K HA -0.267 4.053 4.320 0.000 0.000 0.270 1195 K C 0.425 176.722 176.600 -0.505 0.000 0.984 1195 K CA 1.143 57.302 56.287 -0.214 0.000 0.739 1195 K CB -1.456 31.025 32.500 -0.032 0.000 1.351 1195 K HN 0.587 nan 8.250 nan 0.000 0.463 1196 N N -0.874 117.503 118.700 -0.537 0.000 1.872 1196 N HA -0.025 4.715 4.740 0.000 0.000 0.223 1196 N C -0.535 174.620 175.510 -0.591 0.000 1.424 1196 N CA -0.156 52.612 53.050 -0.471 0.000 0.710 1196 N CB 0.354 38.650 38.487 -0.319 0.000 1.074 1196 N HN 0.477 nan 8.380 nan 0.000 0.544 1197 R N -1.057 118.961 120.500 -0.804 0.000 2.604 1197 R HA 0.308 4.648 4.340 0.000 0.000 0.261 1197 R C -1.732 174.200 176.300 -0.612 0.000 1.080 1197 R CA -0.761 54.823 56.100 -0.859 0.000 0.917 1197 R CB 0.470 29.714 30.300 -1.760 0.000 1.252 1197 R HN -0.010 nan 8.270 nan 0.000 0.456 1198 W N 3.943 125.040 121.300 -0.338 0.000 1.928 1198 W HA 0.184 4.844 4.660 0.000 0.000 0.341 1198 W C -0.254 176.206 176.519 -0.099 0.000 0.789 1198 W CA -0.334 56.904 57.345 -0.178 0.000 1.680 1198 W CB 0.842 30.239 29.460 -0.104 0.000 1.882 1198 W HN 0.685 nan 8.180 nan 0.000 0.315 1199 E N 0.587 120.775 120.200 -0.021 0.000 2.283 1199 E HA 0.360 4.710 4.350 0.000 0.000 0.271 1199 E C -0.714 175.922 176.600 0.060 0.000 1.031 1199 E CA -0.521 55.903 56.400 0.040 0.000 0.868 1199 E CB 1.601 31.290 29.700 -0.018 0.000 1.094 1199 E HN -0.063 nan 8.360 nan 0.000 0.401 1200 D N 2.311 122.765 120.400 0.091 0.000 2.646 1200 D HA 0.266 4.906 4.640 0.000 0.000 0.245 1200 D C -2.495 173.815 176.300 0.017 0.000 1.099 1200 D CA -1.957 52.074 54.000 0.052 0.000 0.849 1200 D CB 1.807 42.651 40.800 0.073 0.000 1.448 1200 D HN 0.268 nan 8.370 nan 0.000 0.489 1201 P HA 0.312 nan 4.420 nan 0.000 0.254 1201 P C -0.150 177.120 177.300 -0.051 0.000 1.186 1201 P CA 0.457 63.544 63.100 -0.022 0.000 0.868 1201 P CB 0.072 31.755 31.700 -0.028 0.000 0.856 1202 G N 1.876 110.653 108.800 -0.039 0.000 2.801 1202 G HA2 0.231 4.191 3.960 0.000 0.000 0.648 1202 G HA3 0.231 4.191 3.960 0.000 0.000 0.648 1202 G C -1.301 173.565 174.900 -0.058 0.000 1.415 1202 G CA -1.081 43.976 45.100 -0.072 0.000 0.887 1202 G HN 0.383 nan 8.290 nan 0.000 0.627 1203 K N -0.270 120.127 120.400 -0.006 0.000 0.847 1203 K HA -0.177 4.143 4.320 0.000 0.000 0.800 1203 K C 1.095 177.774 176.600 0.132 0.000 2.306 1203 K CA 1.427 57.765 56.287 0.086 0.000 1.514 1203 K CB -0.899 31.696 32.500 0.159 0.000 2.737 1203 K HN 0.905 nan 8.250 nan 0.000 0.219 1204 Q N -0.376 119.514 119.800 0.151 0.000 2.477 1204 Q HA 0.100 4.440 4.340 0.000 0.000 0.252 1204 Q C 1.827 177.861 176.000 0.058 0.000 0.869 1204 Q CA 0.307 56.164 55.803 0.089 0.000 0.969 1204 Q CB 0.099 28.856 28.738 0.031 0.000 1.144 1204 Q HN 0.418 nan 8.270 nan 0.000 0.577 1205 L N 0.412 121.678 121.223 0.073 0.000 2.081 1205 L HA -0.189 4.151 4.340 0.000 0.000 0.212 1205 L C 1.568 178.408 176.870 -0.050 0.000 1.080 1205 L CA 1.944 56.752 54.840 -0.054 0.000 0.754 1205 L CB -0.397 41.583 42.059 -0.131 0.000 0.893 1205 L HN 0.162 nan 8.230 nan 0.000 0.433 1206 Y N -0.676 119.628 120.300 0.007 0.000 2.516 1206 Y HA -0.035 4.515 4.550 0.000 0.000 0.291 1206 Y C 2.286 178.289 175.900 0.172 0.000 1.131 1206 Y CA 0.791 58.899 58.100 0.012 0.000 1.281 1206 Y CB -0.613 37.790 38.460 -0.096 0.000 1.013 1206 Y HN 0.335 nan 8.280 nan 0.000 0.554 1207 N N -0.452 118.423 118.700 0.292 0.000 2.245 1207 N HA -0.092 4.648 4.740 0.000 0.000 0.185 1207 N C 2.040 177.745 175.510 0.326 0.000 1.036 1207 N CA 1.255 54.489 53.050 0.306 0.000 0.857 1207 N CB -0.859 37.805 38.487 0.295 0.000 1.015 1207 N HN 0.089 nan 8.380 nan 0.000 0.436 1208 V N 1.872 121.899 119.914 0.188 0.000 2.332 1208 V HA -0.206 3.914 4.120 0.000 0.000 0.248 1208 V C 2.352 178.528 176.094 0.136 0.000 1.055 1208 V CA 1.734 64.093 62.300 0.098 0.000 1.038 1208 V CB -0.532 31.121 31.823 -0.283 0.000 0.651 1208 V HN 0.405 nan 8.190 nan 0.000 0.450 1209 E N 0.262 120.563 120.200 0.168 0.000 2.051 1209 E HA -0.227 4.123 4.350 0.000 0.000 0.192 1209 E C 2.263 179.093 176.600 0.383 0.000 0.991 1209 E CA 1.376 57.947 56.400 0.284 0.000 0.799 1209 E CB -0.241 29.689 29.700 0.383 0.000 0.748 1209 E HN 0.554 nan 8.360 nan 0.000 0.449 1210 A N 0.365 123.428 122.820 0.405 0.000 1.865 1210 A HA -0.192 4.128 4.320 0.000 0.000 0.217 1210 A C 2.422 180.088 177.584 0.136 0.000 1.191 1210 A CA 2.215 54.399 52.037 0.245 0.000 0.623 1210 A CB -1.138 18.083 19.000 0.369 0.000 0.826 1210 A HN 0.367 nan 8.150 nan 0.000 0.444 1211 T N 0.180 114.866 114.554 0.220 0.000 2.803 1211 T HA -0.105 4.245 4.350 0.000 0.000 0.269 1211 T C 2.197 176.925 174.700 0.047 0.000 1.052 1211 T CA 1.575 63.794 62.100 0.197 0.000 1.136 1211 T CB -0.299 68.812 68.868 0.405 0.000 0.864 1211 T HN 0.489 nan 8.240 nan 0.000 0.467 1212 S N 0.450 116.180 115.700 0.050 0.000 2.356 1212 S HA -0.070 4.400 4.470 0.000 0.000 0.223 1212 S C 1.743 176.209 174.600 -0.222 0.000 1.032 1212 S CA 1.003 59.150 58.200 -0.088 0.000 1.005 1212 S CB -0.505 62.620 63.200 -0.125 0.000 0.867 1212 S HN 0.547 nan 8.310 nan 0.000 0.449 1213 Y N 1.736 121.915 120.300 -0.202 0.000 2.224 1213 Y HA -0.134 4.416 4.550 0.000 0.000 0.289 1213 Y C 2.624 178.348 175.900 -0.294 0.000 1.146 1213 Y CA 0.860 58.781 58.100 -0.298 0.000 1.182 1213 Y CB -0.585 37.756 38.460 -0.197 0.000 0.983 1213 Y HN 0.282 nan 8.280 nan 0.000 0.524 1214 A N -0.502 122.195 122.820 -0.205 0.000 1.930 1214 A HA -0.144 4.176 4.320 0.000 0.000 0.217 1214 A C 2.121 179.620 177.584 -0.141 0.000 1.175 1214 A CA 1.414 53.238 52.037 -0.354 0.000 0.627 1214 A CB -0.933 17.009 19.000 -1.762 0.000 0.815 1214 A HN 0.413 nan 8.150 nan 0.000 0.443 1215 L N -0.091 121.046 121.223 -0.143 0.000 2.017 1215 L HA -0.074 4.266 4.340 0.000 0.000 0.208 1215 L C 2.187 179.045 176.870 -0.019 0.000 1.073 1215 L CA 1.679 56.510 54.840 -0.014 0.000 0.745 1215 L CB -0.615 41.434 42.059 -0.017 0.000 0.894 1215 L HN 0.387 nan 8.230 nan 0.000 0.432 1216 L N -0.639 120.480 121.223 -0.174 0.000 2.191 1216 L HA -0.165 4.175 4.340 0.000 0.000 0.212 1216 L C 2.578 179.472 176.870 0.039 0.000 1.103 1216 L CA 0.982 55.682 54.840 -0.234 0.000 0.769 1216 L CB -0.823 40.724 42.059 -0.853 0.000 0.908 1216 L HN 0.406 nan 8.230 nan 0.000 0.438 1217 A N 0.076 122.949 122.820 0.088 0.000 1.897 1217 A HA -0.090 4.230 4.320 0.000 0.000 0.215 1217 A C 2.216 179.819 177.584 0.032 0.000 1.181 1217 A CA 0.995 53.117 52.037 0.142 0.000 0.620 1217 A CB -0.486 18.451 19.000 -0.104 0.000 0.821 1217 A HN 0.325 nan 8.150 nan 0.000 0.443 1218 L N -0.470 120.815 121.223 0.105 0.000 2.046 1218 L HA -0.167 4.173 4.340 0.000 0.000 0.208 1218 L C 2.457 179.288 176.870 -0.066 0.000 1.077 1218 L CA 1.052 55.952 54.840 0.099 0.000 0.747 1218 L CB -0.589 41.616 42.059 0.243 0.000 0.896 1218 L HN 0.356 nan 8.230 nan 0.000 0.432 1219 L N -0.687 120.531 121.223 -0.008 0.000 2.201 1219 L HA -0.191 4.149 4.340 0.000 0.000 0.212 1219 L C 2.583 179.423 176.870 -0.050 0.000 1.105 1219 L CA 0.732 55.550 54.840 -0.037 0.000 0.775 1219 L CB -0.392 41.757 42.059 0.150 0.000 0.913 1219 L HN 0.289 nan 8.230 nan 0.000 0.440 1220 Q N 0.642 120.448 119.800 0.009 0.000 2.172 1220 Q HA -0.080 4.261 4.340 0.000 0.000 0.200 1220 Q C 1.908 177.864 176.000 -0.074 0.000 0.964 1220 Q CA 1.340 57.145 55.803 0.003 0.000 0.855 1220 Q CB -0.017 28.745 28.738 0.041 0.000 0.918 1220 Q HN 0.496 nan 8.270 nan 0.000 0.444 1221 L N -0.026 121.127 121.223 -0.117 0.000 2.591 1221 L HA 0.156 4.496 4.340 0.000 0.000 0.228 1221 L C 0.219 176.975 176.870 -0.191 0.000 1.133 1221 L CA 0.163 54.923 54.840 -0.134 0.000 0.880 1221 L CB -0.061 41.925 42.059 -0.121 0.000 1.033 1221 L HN 0.156 nan 8.230 nan 0.000 0.450 1222 K N -0.184 120.008 120.400 -0.346 0.000 3.088 1222 K HA -0.236 4.084 4.320 0.000 0.000 0.273 1222 K C 0.052 176.237 176.600 -0.691 0.000 1.111 1222 K CA 0.883 56.788 56.287 -0.637 0.000 0.803 1222 K CB -1.260 31.179 32.500 -0.103 0.000 1.226 1222 K HN 0.201 nan 8.250 nan 0.000 0.485 1223 D N 0.419 120.514 120.400 -0.509 0.000 2.631 1223 D HA 0.118 4.758 4.640 0.000 0.000 0.227 1223 D C 0.180 176.391 176.300 -0.148 0.000 1.146 1223 D CA -0.466 53.414 54.000 -0.200 0.000 1.009 1223 D CB -0.286 40.496 40.800 -0.030 0.000 1.057 1223 D HN 0.125 nan 8.370 nan 0.000 0.509 1224 F N 0.226 120.254 119.950 0.129 0.000 2.795 1224 F HA 0.110 4.637 4.527 0.000 0.000 0.303 1224 F C 1.453 177.336 175.800 0.139 0.000 1.186 1224 F CA -0.059 58.022 58.000 0.135 0.000 1.415 1224 F CB 0.156 39.202 39.000 0.077 0.000 1.106 1224 F HN 0.121 nan 8.300 nan 0.000 0.558 1225 D N -1.173 119.385 120.400 0.262 0.000 2.346 1225 D HA -0.030 4.610 4.640 0.000 0.000 0.206 1225 D C 1.428 177.878 176.300 0.251 0.000 1.001 1225 D CA 0.656 54.789 54.000 0.223 0.000 0.871 1225 D CB -0.047 40.863 40.800 0.184 0.000 0.943 1225 D HN 0.300 nan 8.370 nan 0.000 0.518 1226 F N 0.099 120.117 119.950 0.114 0.000 2.728 1226 F HA 0.130 4.657 4.527 0.000 0.000 0.314 1226 F C 1.555 177.439 175.800 0.139 0.000 1.094 1226 F CA 0.092 58.157 58.000 0.109 0.000 1.217 1226 F CB 0.479 39.548 39.000 0.115 0.000 1.056 1226 F HN -0.282 nan 8.300 nan 0.000 0.577 1227 V N 1.935 121.983 119.914 0.223 0.000 2.323 1227 V HA -0.119 4.001 4.120 0.000 0.000 0.244 1227 V C -0.424 175.719 176.094 0.082 0.000 1.041 1227 V CA 1.776 64.195 62.300 0.199 0.000 1.025 1227 V CB -1.662 30.363 31.823 0.338 0.000 0.656 1227 V HN 0.129 nan 8.190 nan 0.000 0.451 1228 P HA -0.136 nan 4.420 nan 0.000 0.216 1228 P C -1.377 175.903 177.300 -0.034 0.000 1.157 1228 P CA 2.068 65.201 63.100 0.055 0.000 0.880 1228 P CB -1.325 30.423 31.700 0.080 0.000 0.791 1229 P HA -0.103 nan 4.420 nan 0.000 0.217 1229 P C 1.594 178.834 177.300 -0.100 0.000 1.150 1229 P CA 1.068 64.076 63.100 -0.153 0.000 0.832 1229 P CB -0.416 31.083 31.700 -0.335 0.000 0.787 1230 V N -0.478 119.373 119.914 -0.105 0.000 2.255 1230 V HA -0.175 3.946 4.120 0.000 0.000 0.243 1230 V C 2.480 178.626 176.094 0.086 0.000 1.038 1230 V CA 1.648 63.977 62.300 0.048 0.000 1.008 1230 V CB -1.299 30.619 31.823 0.158 0.000 0.645 1230 V HN -0.071 nan 8.190 nan 0.000 0.449 1231 V N 0.333 120.213 119.914 -0.058 0.000 2.380 1231 V HA -0.317 3.803 4.120 0.000 0.000 0.251 1231 V C 2.576 178.610 176.094 -0.100 0.000 1.063 1231 V CA 2.516 64.697 62.300 -0.198 0.000 1.055 1231 V CB -0.890 30.567 31.823 -0.609 0.000 0.657 1231 V HN 0.512 nan 8.190 nan 0.000 0.455 1232 R N -1.327 119.151 120.500 -0.037 0.000 2.096 1232 R HA -0.240 4.100 4.340 0.000 0.000 0.235 1232 R C 2.143 178.470 176.300 0.045 0.000 1.127 1232 R CA 2.073 58.173 56.100 0.000 0.000 0.968 1232 R CB -0.349 29.960 30.300 0.016 0.000 0.861 1232 R HN 0.655 nan 8.270 nan 0.000 0.440 1233 W N 0.953 122.202 121.300 -0.085 0.000 2.388 1233 W HA -0.090 4.570 4.660 0.000 0.000 0.294 1233 W C 1.400 177.877 176.519 -0.070 0.000 1.212 1233 W CA 1.139 58.444 57.345 -0.068 0.000 1.271 1233 W CB -0.141 29.284 29.460 -0.058 0.000 1.126 1233 W HN 0.029 nan 8.180 nan 0.000 0.535 1234 L N 0.661 121.852 121.223 -0.054 0.000 2.027 1234 L HA -0.242 4.098 4.340 0.000 0.000 0.206 1234 L C 2.243 178.931 176.870 -0.304 0.000 1.074 1234 L CA 1.474 56.159 54.840 -0.258 0.000 0.745 1234 L CB -1.147 40.849 42.059 -0.104 0.000 0.898 1234 L HN -0.039 nan 8.230 nan 0.000 0.433 1235 N N 0.294 118.877 118.700 -0.195 0.000 2.223 1235 N HA -0.164 4.576 4.740 0.000 0.000 0.185 1235 N C 1.363 176.768 175.510 -0.175 0.000 1.016 1235 N CA 1.071 54.024 53.050 -0.162 0.000 0.863 1235 N CB -0.172 38.267 38.487 -0.080 0.000 0.983 1235 N HN 0.418 nan 8.380 nan 0.000 0.429 1236 E N 0.003 120.089 120.200 -0.191 0.000 2.463 1236 E HA -0.014 4.337 4.350 0.000 0.000 0.191 1236 E C 1.155 177.592 176.600 -0.271 0.000 1.083 1236 E CA -0.001 56.294 56.400 -0.176 0.000 0.872 1236 E CB 0.188 29.820 29.700 -0.113 0.000 0.966 1236 E HN 0.406 nan 8.360 nan 0.000 0.491 1237 Q N 0.445 120.017 119.800 -0.380 0.000 2.316 1237 Q HA 0.117 4.457 4.340 0.000 0.000 0.235 1237 Q C -0.391 175.424 176.000 -0.308 0.000 0.863 1237 Q CA -0.141 55.410 55.803 -0.421 0.000 0.939 1237 Q CB 0.583 28.894 28.738 -0.712 0.000 1.108 1237 Q HN -0.026 nan 8.270 nan 0.000 0.522 1238 R N 0.727 121.027 120.500 -0.333 0.000 2.877 1238 R HA -0.244 4.096 4.340 0.000 0.000 0.275 1238 R C -1.737 174.267 176.300 -0.493 0.000 0.924 1238 R CA 0.492 56.313 56.100 -0.465 0.000 0.715 1238 R CB -1.392 28.731 30.300 -0.295 0.000 1.761 1238 R HN 0.332 nan 8.270 nan 0.000 0.498 1239 Y N 2.654 122.563 120.300 -0.652 0.000 2.555 1239 Y HA 0.285 4.835 4.550 0.000 0.000 0.326 1239 Y C -0.574 175.097 175.900 -0.381 0.000 0.984 1239 Y CA -1.074 56.764 58.100 -0.436 0.000 1.298 1239 Y CB 0.540 38.822 38.460 -0.296 0.000 1.094 1239 Y HN 0.310 nan 8.280 nan 0.000 0.500 1240 Y N 4.256 124.405 120.300 -0.253 0.000 2.496 1240 Y HA 0.360 4.910 4.550 0.000 0.000 0.313 1240 Y C 1.504 177.408 175.900 0.008 0.000 1.184 1240 Y CA -0.006 58.113 58.100 0.032 0.000 1.275 1240 Y CB -0.334 38.249 38.460 0.205 0.000 1.103 1240 Y HN 0.841 nan 8.280 nan 0.000 0.513 1241 G N 0.149 108.584 108.800 -0.608 0.000 2.641 1241 G HA2 0.145 4.105 3.960 0.000 0.000 0.254 1241 G HA3 0.145 4.105 3.960 0.000 0.000 0.254 1241 G C 0.259 175.114 174.900 -0.076 0.000 1.315 1241 G CA -0.011 44.851 45.100 -0.396 0.000 0.907 1241 G HN 1.275 nan 8.290 nan 0.000 0.572 1242 G N -2.226 106.634 108.800 0.100 0.000 2.731 1242 G HA2 0.504 4.464 3.960 0.000 0.000 0.686 1242 G HA3 0.504 4.464 3.960 0.000 0.000 0.686 1242 G C 1.167 176.127 174.900 0.099 0.000 1.395 1242 G CA 0.618 45.803 45.100 0.142 0.000 0.870 1242 G HN 3.278 nan 8.290 nan 0.000 0.591 1243 G N -0.328 108.539 108.800 0.110 0.000 2.362 1243 G HA2 0.425 4.385 3.960 0.000 0.000 0.517 1243 G HA3 0.425 4.385 3.960 0.000 0.000 0.517 1243 G C -0.367 174.630 174.900 0.163 0.000 1.256 1243 G CA 0.124 45.302 45.100 0.131 0.000 1.027 1243 G HN 2.265 nan 8.290 nan 0.000 0.491 1244 Y N 1.725 122.066 120.300 0.068 0.000 2.336 1244 Y HA 0.443 4.993 4.550 0.000 0.000 0.335 1244 Y C 1.284 177.223 175.900 0.065 0.000 1.046 1244 Y CA 1.063 59.199 58.100 0.060 0.000 1.198 1244 Y CB 0.925 39.416 38.460 0.052 0.000 1.182 1244 Y HN 2.418 nan 8.280 nan 0.000 0.502 1245 G N 3.611 112.071 108.800 -0.565 0.000 2.198 1245 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 1245 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 1245 G C 0.465 175.287 174.900 -0.130 0.000 1.025 1245 G CA 0.677 45.505 45.100 -0.454 0.000 0.769 1245 G HN 1.218 nan 8.290 nan 0.000 0.507 1246 S N -1.505 114.191 115.700 -0.008 0.000 2.583 1246 S HA 0.319 4.789 4.470 0.000 0.000 0.239 1246 S C 1.677 176.372 174.600 0.158 0.000 0.966 1246 S CA 0.914 59.198 58.200 0.141 0.000 0.973 1246 S CB 0.446 63.785 63.200 0.232 0.000 0.794 1246 S HN 0.317 nan 8.310 nan 0.000 0.463 1247 T N 2.455 117.054 114.554 0.075 0.000 2.708 1247 T HA -0.084 4.266 4.350 0.000 0.000 0.266 1247 T C 1.942 176.793 174.700 0.252 0.000 1.037 1247 T CA 1.334 63.508 62.100 0.124 0.000 1.146 1247 T CB -0.181 68.689 68.868 0.003 0.000 0.865 1247 T HN 0.354 nan 8.240 nan 0.000 0.435 1248 Q N 0.604 120.538 119.800 0.223 0.000 2.062 1248 Q HA 0.144 4.484 4.340 0.000 0.000 0.196 1248 Q C 2.805 179.007 176.000 0.338 0.000 0.967 1248 Q CA 1.390 57.400 55.803 0.345 0.000 0.832 1248 Q CB -0.778 28.139 28.738 0.297 0.000 0.899 1248 Q HN 0.531 nan 8.270 nan 0.000 0.442 1249 A N 0.689 123.657 122.820 0.246 0.000 1.883 1249 A HA -0.198 4.122 4.320 0.000 0.000 0.217 1249 A C 2.376 180.171 177.584 0.351 0.000 1.186 1249 A CA 2.267 54.437 52.037 0.221 0.000 0.624 1249 A CB -1.002 18.061 19.000 0.104 0.000 0.822 1249 A HN 0.402 nan 8.150 nan 0.000 0.444 1250 T N -1.107 113.714 114.554 0.445 0.000 2.708 1250 T HA -0.131 4.219 4.350 0.000 0.000 0.266 1250 T C 1.614 176.600 174.700 0.477 0.000 1.037 1250 T CA 1.576 63.974 62.100 0.497 0.000 1.146 1250 T CB -0.397 68.703 68.868 0.387 0.000 0.865 1250 T HN 0.460 nan 8.240 nan 0.000 0.435 1251 F N 0.847 120.951 119.950 0.258 0.000 2.365 1251 F HA 0.003 4.530 4.527 0.000 0.000 0.300 1251 F C 1.956 177.819 175.800 0.106 0.000 1.090 1251 F CA 0.861 58.969 58.000 0.181 0.000 1.408 1251 F CB -0.164 38.946 39.000 0.183 0.000 1.060 1251 F HN 0.029 nan 8.300 nan 0.000 0.534 1252 M N -1.418 118.268 119.600 0.144 0.000 2.556 1252 M HA 0.038 4.518 4.480 0.000 0.000 0.264 1252 M C 2.382 178.605 176.300 -0.128 0.000 1.163 1252 M CA 0.722 55.971 55.300 -0.086 0.000 1.186 1252 M CB -1.265 31.279 32.600 -0.094 0.000 1.321 1252 M HN 0.064 nan 8.290 nan 0.000 0.485 1253 V N 0.347 120.222 119.914 -0.065 0.000 2.490 1253 V HA -0.230 3.890 4.120 0.000 0.000 0.250 1253 V C 1.893 177.788 176.094 -0.331 0.000 1.061 1253 V CA 1.830 64.008 62.300 -0.203 0.000 1.064 1253 V CB -0.404 31.277 31.823 -0.236 0.000 0.670 1253 V HN 0.267 nan 8.190 nan 0.000 0.461 1254 F N -0.424 119.458 119.950 -0.113 0.000 2.569 1254 F HA 0.091 4.619 4.527 0.000 0.000 0.295 1254 F C 2.378 178.163 175.800 -0.025 0.000 1.115 1254 F CA 1.265 59.172 58.000 -0.155 0.000 1.450 1254 F CB -0.273 38.600 39.000 -0.212 0.000 1.107 1254 F HN 0.163 nan 8.300 nan 0.000 0.563 1255 Q N 0.460 120.247 119.800 -0.021 0.000 2.172 1255 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 1255 Q C 2.208 178.186 176.000 -0.037 0.000 0.964 1255 Q CA 1.292 57.020 55.803 -0.126 0.000 0.855 1255 Q CB -0.034 28.443 28.738 -0.435 0.000 0.918 1255 Q HN 0.363 nan 8.270 nan 0.000 0.444 1256 A N 0.467 123.244 122.820 -0.072 0.000 1.898 1256 A HA -0.025 4.295 4.320 0.000 0.000 0.214 1256 A C 1.947 179.585 177.584 0.089 0.000 1.183 1256 A CA 0.608 52.617 52.037 -0.047 0.000 0.622 1256 A CB -0.422 18.506 19.000 -0.120 0.000 0.824 1256 A HN 0.401 nan 8.150 nan 0.000 0.444 1257 L N -0.755 120.539 121.223 0.118 0.000 2.156 1257 L HA -0.106 4.234 4.340 0.000 0.000 0.208 1257 L C 2.977 180.097 176.870 0.416 0.000 1.095 1257 L CA 0.858 55.854 54.840 0.260 0.000 0.770 1257 L CB -0.473 41.712 42.059 0.210 0.000 0.914 1257 L HN 0.436 nan 8.230 nan 0.000 0.439 1258 A N -0.284 122.784 122.820 0.414 0.000 1.897 1258 A HA -0.230 4.090 4.320 0.000 0.000 0.215 1258 A C 2.213 179.868 177.584 0.117 0.000 1.181 1258 A CA 1.396 53.562 52.037 0.216 0.000 0.620 1258 A CB -0.398 18.775 19.000 0.288 0.000 0.821 1258 A HN 0.343 nan 8.150 nan 0.000 0.443 1259 Q N -1.600 118.299 119.800 0.164 0.000 2.291 1259 Q HA -0.156 4.184 4.340 0.000 0.000 0.205 1259 Q C 1.614 177.701 176.000 0.145 0.000 0.970 1259 Q CA 1.745 57.624 55.803 0.127 0.000 0.876 1259 Q CB -0.590 28.215 28.738 0.112 0.000 0.935 1259 Q HN 0.758 nan 8.270 nan 0.000 0.455 1260 Y N -0.195 120.146 120.300 0.068 0.000 2.314 1260 Y HA -0.069 4.481 4.550 0.000 0.000 0.293 1260 Y C 1.626 177.549 175.900 0.038 0.000 1.129 1260 Y CA 1.245 59.392 58.100 0.079 0.000 1.201 1260 Y CB 0.226 38.740 38.460 0.090 0.000 0.999 1260 Y HN 0.117 nan 8.280 nan 0.000 0.541 1261 Q N 0.554 120.334 119.800 -0.032 0.000 2.369 1261 Q HA -0.090 4.250 4.340 0.000 0.000 0.206 1261 Q C 1.562 177.448 176.000 -0.190 0.000 0.963 1261 Q CA 1.194 56.904 55.803 -0.156 0.000 0.894 1261 Q CB 0.012 28.686 28.738 -0.106 0.000 0.965 1261 Q HN 0.588 nan 8.270 nan 0.000 0.475 1262 K N -0.068 120.248 120.400 -0.140 0.000 2.244 1262 K HA 0.006 4.326 4.320 0.000 0.000 0.200 1262 K C 0.734 177.246 176.600 -0.146 0.000 1.052 1262 K CA 0.635 56.847 56.287 -0.123 0.000 0.980 1262 K CB 0.463 32.922 32.500 -0.067 0.000 0.838 1262 K HN 0.005 nan 8.250 nan 0.000 0.481 1263 D N 0.946 121.271 120.400 -0.124 0.000 2.339 1263 D HA 0.064 4.704 4.640 0.000 0.000 0.217 1263 D C -0.077 176.014 176.300 -0.347 0.000 1.050 1263 D CA 0.113 54.056 54.000 -0.095 0.000 0.856 1263 D CB 0.322 41.236 40.800 0.191 0.000 0.922 1263 D HN 0.080 nan 8.370 nan 0.000 0.518 1264 A N 2.226 124.761 122.820 -0.475 0.000 2.476 1264 A HA 0.319 4.639 4.320 0.000 0.000 0.275 1264 A C -2.154 175.107 177.584 -0.538 0.000 1.133 1264 A CA -0.927 50.738 52.037 -0.620 0.000 0.797 1264 A CB -0.121 18.404 19.000 -0.792 0.000 1.081 1264 A HN -0.104 nan 8.150 nan 0.000 0.510 1265 P HA 0.099 nan 4.420 nan 0.000 0.264 1265 P C -0.135 176.899 177.300 -0.443 0.000 1.229 1265 P CA 0.009 62.745 63.100 -0.606 0.000 0.780 1265 P CB 0.707 32.026 31.700 -0.636 0.000 0.808 1266 D N 1.440 121.569 120.400 -0.452 0.000 2.182 1266 D HA -0.121 4.519 4.640 0.000 0.000 0.201 1266 D C 0.918 177.065 176.300 -0.254 0.000 0.986 1266 D CA 1.791 55.612 54.000 -0.298 0.000 0.847 1266 D CB -0.169 40.486 40.800 -0.242 0.000 0.942 1266 D HN 0.669 nan 8.370 nan 0.000 0.467 1267 H N -2.670 116.147 119.070 -0.421 0.000 3.110 1267 H HA 0.482 5.038 4.556 0.000 0.000 0.277 1267 H C -0.743 174.433 175.328 -0.252 0.000 1.571 1267 H CA -1.173 54.667 56.048 -0.347 0.000 1.206 1267 H CB 0.511 29.900 29.762 -0.622 0.000 1.852 1267 H HN -0.136 nan 8.280 nan 0.000 0.629 1268 Q N -0.268 119.548 119.800 0.026 0.000 2.351 1268 Q HA 0.373 4.713 4.340 0.000 0.000 0.273 1268 Q C -1.012 175.071 176.000 0.138 0.000 1.077 1268 Q CA -1.135 54.669 55.803 0.002 0.000 0.843 1268 Q CB 2.096 30.861 28.738 0.045 0.000 1.367 1268 Q HN 0.647 nan 8.270 nan 0.000 0.449 1269 E N 1.174 121.411 120.200 0.062 0.000 2.757 1269 E HA -0.054 4.296 4.350 0.000 0.000 0.238 1269 E C -0.877 175.805 176.600 0.138 0.000 1.057 1269 E CA 0.108 56.570 56.400 0.103 0.000 0.952 1269 E CB 0.205 29.943 29.700 0.064 0.000 0.934 1269 E HN 0.281 nan 8.360 nan 0.000 0.518 1270 L N 5.127 126.465 121.223 0.193 0.000 2.360 1270 L HA 0.279 4.619 4.340 0.000 0.000 0.265 1270 L C -0.901 176.003 176.870 0.057 0.000 1.066 1270 L CA -0.206 54.722 54.840 0.147 0.000 0.929 1270 L CB 0.327 42.515 42.059 0.216 0.000 1.306 1270 L HN 0.263 nan 8.230 nan 0.000 0.434 1271 N N 4.608 123.299 118.700 -0.015 0.000 2.725 1271 N HA 0.286 5.026 4.740 0.000 0.000 0.248 1271 N C -1.686 173.759 175.510 -0.108 0.000 1.402 1271 N CA -0.279 52.678 53.050 -0.156 0.000 0.766 1271 N CB 0.426 38.858 38.487 -0.092 0.000 1.223 1271 N HN 0.470 nan 8.380 nan 0.000 0.515 1272 L N 0.757 121.921 121.223 -0.099 0.000 2.276 1272 L HA 0.347 4.687 4.340 0.000 0.000 0.286 1272 L C 0.307 177.153 176.870 -0.040 0.000 1.061 1272 L CA -0.544 54.271 54.840 -0.043 0.000 0.807 1272 L CB 1.041 43.091 42.059 -0.015 0.000 1.177 1272 L HN 0.284 nan 8.230 nan 0.000 0.429 1273 D N 3.179 123.572 120.400 -0.012 0.000 2.781 1273 D HA 0.154 4.795 4.640 0.000 0.000 0.254 1273 D C -0.489 175.828 176.300 0.029 0.000 1.213 1273 D CA -0.313 53.691 54.000 0.007 0.000 0.994 1273 D CB 0.489 41.294 40.800 0.008 0.000 1.019 1273 D HN 0.044 nan 8.370 nan 0.000 0.514 1274 V N 2.338 122.279 119.914 0.045 0.000 2.415 1274 V HA 0.214 4.334 4.120 0.000 0.000 0.267 1274 V C 0.509 176.652 176.094 0.083 0.000 1.042 1274 V CA -0.252 62.083 62.300 0.058 0.000 1.000 1274 V CB 0.595 32.451 31.823 0.054 0.000 1.015 1274 V HN 0.537 nan 8.190 nan 0.000 0.478 1275 S N 6.748 122.489 115.700 0.068 0.000 2.596 1275 S HA 0.783 5.253 4.470 0.000 0.000 0.318 1275 S C -0.790 173.855 174.600 0.076 0.000 1.097 1275 S CA -0.842 57.401 58.200 0.070 0.000 1.080 1275 S CB 1.326 64.553 63.200 0.045 0.000 0.991 1275 S HN 0.698 nan 8.310 nan 0.000 0.471 1276 L N 1.053 122.327 121.223 0.085 0.000 2.322 1276 L HA 0.709 5.049 4.340 0.000 0.000 0.281 1276 L C -0.516 176.397 176.870 0.072 0.000 1.014 1276 L CA -0.785 54.114 54.840 0.099 0.000 0.815 1276 L CB 1.536 43.659 42.059 0.107 0.000 1.247 1276 L HN 0.768 nan 8.230 nan 0.000 0.421 1277 Q N 2.822 122.679 119.800 0.094 0.000 2.337 1277 Q HA 0.597 4.938 4.340 0.000 0.000 0.266 1277 Q C -1.747 174.313 176.000 0.101 0.000 1.023 1277 Q CA -0.853 54.992 55.803 0.069 0.000 0.829 1277 Q CB 2.258 31.031 28.738 0.058 0.000 1.306 1277 Q HN 0.743 nan 8.270 nan 0.000 0.449 1278 L N 5.701 126.959 121.223 0.057 0.000 2.325 1278 L HA 0.419 4.759 4.340 0.000 0.000 0.278 1278 L C -1.784 175.124 176.870 0.063 0.000 1.023 1278 L CA -1.886 53.000 54.840 0.077 0.000 0.811 1278 L CB 1.104 43.159 42.059 -0.006 0.000 1.249 1278 L HN 0.615 nan 8.230 nan 0.000 0.431 1279 P HA -0.137 nan 4.420 nan 0.000 0.216 1279 P C 0.865 178.184 177.300 0.032 0.000 1.150 1279 P CA 0.932 64.063 63.100 0.051 0.000 0.837 1279 P CB 0.304 32.037 31.700 0.055 0.000 0.786 1280 S N -0.539 115.178 115.700 0.029 0.000 2.849 1280 S HA 0.228 4.698 4.470 0.000 0.000 0.244 1280 S C 0.145 174.749 174.600 0.006 0.000 1.297 1280 S CA -0.528 57.680 58.200 0.014 0.000 1.241 1280 S CB -1.184 62.022 63.200 0.011 0.000 0.958 1280 S HN -0.057 nan 8.310 nan 0.000 0.489 1281 R N -0.387 120.118 120.500 0.008 0.000 2.633 1281 R HA 0.287 4.627 4.340 0.000 0.000 0.256 1281 R C 0.338 176.642 176.300 0.006 0.000 1.131 1281 R CA -0.260 55.842 56.100 0.003 0.000 0.994 1281 R CB 0.511 30.808 30.300 -0.005 0.000 1.261 1281 R HN 0.239 nan 8.270 nan 0.000 0.446 1282 S N 0.670 116.372 115.700 0.003 0.000 2.355 1282 S HA -0.005 4.465 4.470 0.000 0.000 0.210 1282 S C 0.450 175.053 174.600 0.005 0.000 1.035 1282 S CA 0.677 58.880 58.200 0.004 0.000 1.011 1282 S CB -0.152 63.049 63.200 0.002 0.000 1.000 1282 S HN 0.665 nan 8.310 nan 0.000 0.423 1283 S N 1.638 117.339 115.700 0.002 0.000 2.596 1283 S HA 0.211 4.681 4.470 0.000 0.000 0.260 1283 S C 0.309 174.911 174.600 0.003 0.000 1.336 1283 S CA -0.116 58.084 58.200 0.001 0.000 0.993 1283 S CB 0.322 63.519 63.200 -0.004 0.000 0.923 1283 S HN 0.267 nan 8.310 nan 0.000 0.567 1284 K N 0.399 120.801 120.400 0.004 0.000 2.148 1284 K HA 0.444 4.764 4.320 0.000 0.000 0.239 1284 K C -0.671 175.932 176.600 0.004 0.000 1.018 1284 K CA -0.638 55.655 56.287 0.011 0.000 0.923 1284 K CB 0.403 32.913 32.500 0.016 0.000 1.117 1284 K HN 0.308 nan 8.250 nan 0.000 0.477 1285 I N 2.427 123.009 120.570 0.020 0.000 2.428 1285 I HA 0.138 4.309 4.170 0.000 0.000 0.279 1285 I C -0.417 175.732 176.117 0.053 0.000 1.040 1285 I CA -0.280 61.039 61.300 0.032 0.000 1.171 1285 I CB 0.615 38.657 38.000 0.070 0.000 1.312 1285 I HN 0.492 nan 8.210 nan 0.000 0.470 1286 T N 5.576 120.103 114.554 -0.045 0.000 2.799 1286 T HA 0.464 4.814 4.350 0.000 0.000 0.286 1286 T C -0.165 174.418 174.700 -0.194 0.000 0.973 1286 T CA -0.220 61.852 62.100 -0.047 0.000 1.035 1286 T CB 1.020 69.859 68.868 -0.048 0.000 0.932 1286 T HN 0.321 nan 8.240 nan 0.000 0.469 1287 H N 2.145 121.219 119.070 0.007 0.000 2.771 1287 H HA 0.432 4.988 4.556 0.000 0.000 0.361 1287 H C -0.287 175.042 175.328 0.002 0.000 1.108 1287 H CA -0.736 55.316 56.048 0.008 0.000 1.201 1287 H CB 2.017 31.780 29.762 0.002 0.000 1.681 1287 H HN 0.371 nan 8.280 nan 0.000 0.534 1288 R N 2.576 123.145 120.500 0.115 0.000 2.494 1288 R HA 0.494 4.834 4.340 0.000 0.000 0.305 1288 R C -0.400 175.912 176.300 0.021 0.000 0.959 1288 R CA -0.709 55.410 56.100 0.032 0.000 0.864 1288 R CB 1.885 32.207 30.300 0.037 0.000 1.159 1288 R HN 0.440 nan 8.270 nan 0.000 0.446 1289 I N 3.592 124.113 120.570 -0.083 0.000 2.354 1289 I HA 0.283 4.453 4.170 0.000 0.000 0.286 1289 I C -0.245 175.783 176.117 -0.149 0.000 1.007 1289 I CA -0.619 60.650 61.300 -0.051 0.000 1.167 1289 I CB 1.106 39.091 38.000 -0.024 0.000 1.320 1289 I HN 0.517 nan 8.210 nan 0.000 0.458 1290 H N 4.075 123.176 119.070 0.051 0.000 2.570 1290 H HA 0.144 4.700 4.556 0.000 0.000 0.342 1290 H C 0.463 175.841 175.328 0.083 0.000 1.245 1290 H CA -0.413 55.687 56.048 0.087 0.000 1.318 1290 H CB 1.599 31.415 29.762 0.089 0.000 1.694 1290 H HN 0.653 nan 8.280 nan 0.000 0.592 1291 W N 1.394 122.744 121.300 0.083 0.000 2.363 1291 W HA -0.177 4.483 4.660 0.000 0.000 0.296 1291 W C 0.564 177.045 176.519 -0.063 0.000 1.212 1291 W CA 1.751 59.041 57.345 -0.092 0.000 1.260 1291 W CB 0.137 29.443 29.460 -0.257 0.000 1.131 1291 W HN 0.716 nan 8.180 nan 0.000 0.530 1292 E N 0.520 120.702 120.200 -0.029 0.000 2.072 1292 E HA -0.152 4.198 4.350 0.000 0.000 0.190 1292 E C 2.096 178.603 176.600 -0.155 0.000 0.982 1292 E CA 1.975 58.288 56.400 -0.145 0.000 0.803 1292 E CB -0.639 29.071 29.700 0.017 0.000 0.755 1292 E HN 0.168 nan 8.360 nan 0.000 0.453 1293 S N -0.291 115.382 115.700 -0.046 0.000 2.602 1293 S HA 0.584 5.054 4.470 0.000 0.000 0.246 1293 S C 0.583 175.146 174.600 -0.060 0.000 1.009 1293 S CA -0.328 57.852 58.200 -0.033 0.000 1.052 1293 S CB 0.044 63.271 63.200 0.045 0.000 0.778 1293 S HN 0.227 nan 8.310 nan 0.000 0.455 1294 A N 1.870 124.600 122.820 -0.150 0.000 2.267 1294 A HA 0.676 4.996 4.320 0.000 0.000 0.271 1294 A C 1.218 178.716 177.584 -0.144 0.000 1.131 1294 A CA 0.027 51.972 52.037 -0.152 0.000 0.818 1294 A CB -0.429 18.424 19.000 -0.246 0.000 1.118 1294 A HN 1.757 nan 8.150 nan 0.000 0.501 1295 S N -2.576 113.054 115.700 -0.117 0.000 3.521 1295 S HA -0.172 4.298 4.470 0.000 0.000 0.362 1295 S C -0.363 174.191 174.600 -0.077 0.000 1.044 1295 S CA 1.172 59.315 58.200 -0.095 0.000 1.091 1295 S CB -2.284 60.847 63.200 -0.115 0.000 0.908 1295 S HN 1.978 nan 8.310 nan 0.000 0.473 1296 L N 1.015 122.200 121.223 -0.065 0.000 2.313 1296 L HA 0.653 4.993 4.340 0.000 0.000 0.283 1296 L C -0.027 176.811 176.870 -0.053 0.000 1.013 1296 L CA -0.879 53.930 54.840 -0.053 0.000 0.816 1296 L CB 1.308 43.343 42.059 -0.040 0.000 1.236 1296 L HN 0.423 nan 8.230 nan 0.000 0.419 1297 L N 6.342 127.535 121.223 -0.050 0.000 2.401 1297 L HA 0.344 4.685 4.340 0.000 0.000 0.283 1297 L C 0.206 177.034 176.870 -0.070 0.000 1.151 1297 L CA -0.039 54.768 54.840 -0.055 0.000 0.942 1297 L CB -0.382 41.651 42.059 -0.043 0.000 1.283 1297 L HN 0.555 nan 8.230 nan 0.000 0.442 1298 R N 2.188 122.622 120.500 -0.110 0.000 2.296 1298 R HA 0.217 4.557 4.340 0.000 0.000 0.327 1298 R C 0.094 176.281 176.300 -0.189 0.000 1.137 1298 R CA -0.219 55.774 56.100 -0.178 0.000 1.020 1298 R CB 0.760 30.859 30.300 -0.335 0.000 1.110 1298 R HN 0.558 nan 8.270 nan 0.000 0.499 1299 S N 1.779 117.407 115.700 -0.120 0.000 2.608 1299 S HA 0.481 4.951 4.470 0.000 0.000 0.291 1299 S C -0.333 174.215 174.600 -0.086 0.000 1.146 1299 S CA -1.015 57.127 58.200 -0.096 0.000 1.043 1299 S CB 2.315 65.479 63.200 -0.059 0.000 1.037 1299 S HN 0.349 nan 8.310 nan 0.000 0.520 1300 E N 1.365 121.511 120.200 -0.090 0.000 2.260 1300 E HA 0.379 4.729 4.350 0.000 0.000 0.266 1300 E C -1.304 175.243 176.600 -0.089 0.000 0.887 1300 E CA -0.496 55.856 56.400 -0.080 0.000 0.777 1300 E CB 1.892 31.535 29.700 -0.095 0.000 1.205 1300 E HN 0.705 nan 8.360 nan 0.000 0.414 1301 E N 0.795 120.959 120.200 -0.060 0.000 2.277 1301 E HA 0.551 4.901 4.350 0.000 0.000 0.274 1301 E C -0.618 175.946 176.600 -0.059 0.000 1.022 1301 E CA -0.328 56.042 56.400 -0.051 0.000 0.853 1301 E CB 1.157 30.842 29.700 -0.026 0.000 1.086 1301 E HN 0.132 nan 8.360 nan 0.000 0.397 1302 T N 2.202 116.724 114.554 -0.053 0.000 3.355 1302 T HA 0.169 4.519 4.350 0.000 0.000 0.324 1302 T C 0.298 174.987 174.700 -0.017 0.000 0.932 1302 T CA -0.769 61.303 62.100 -0.046 0.000 1.032 1302 T CB 0.687 69.507 68.868 -0.080 0.000 1.027 1302 T HN 0.348 nan 8.240 nan 0.000 0.456 1303 K N 1.137 121.533 120.400 -0.006 0.000 2.442 1303 K HA -0.022 4.298 4.320 0.000 0.000 0.198 1303 K C 0.837 177.442 176.600 0.008 0.000 1.044 1303 K CA 0.742 57.033 56.287 0.007 0.000 0.948 1303 K CB 0.474 32.979 32.500 0.009 0.000 0.762 1303 K HN 0.539 nan 8.250 nan 0.000 0.472 1304 E N 1.534 121.737 120.200 0.004 0.000 2.166 1304 E HA 0.059 4.409 4.350 0.000 0.000 0.275 1304 E C -0.994 175.617 176.600 0.019 0.000 0.941 1304 E CA -0.636 55.769 56.400 0.008 0.000 0.784 1304 E CB 0.778 30.482 29.700 0.006 0.000 1.115 1304 E HN -0.105 nan 8.360 nan 0.000 0.399 1305 N N 4.480 123.190 118.700 0.017 0.000 2.555 1305 N HA 0.059 4.799 4.740 0.000 0.000 0.244 1305 N C -1.251 174.285 175.510 0.043 0.000 1.114 1305 N CA 0.112 53.179 53.050 0.029 0.000 0.963 1305 N CB 0.322 38.806 38.487 -0.005 0.000 1.276 1305 N HN 0.419 nan 8.380 nan 0.000 0.510 1306 E N 0.577 120.830 120.200 0.089 0.000 2.339 1306 E HA 0.477 4.827 4.350 0.000 0.000 0.262 1306 E C -0.175 176.508 176.600 0.138 0.000 0.934 1306 E CA -1.030 55.427 56.400 0.094 0.000 0.802 1306 E CB 1.328 31.084 29.700 0.092 0.000 1.275 1306 E HN 0.491 nan 8.360 nan 0.000 0.427 1307 G N 1.732 110.574 108.800 0.069 0.000 2.696 1307 G HA2 0.406 4.366 3.960 0.000 0.000 0.329 1307 G HA3 0.406 4.366 3.960 0.000 0.000 0.329 1307 G C -0.138 174.767 174.900 0.009 0.000 0.973 1307 G CA -0.355 44.736 45.100 -0.015 0.000 1.257 1307 G HN 0.232 nan 8.290 nan 0.000 0.456 1308 F N 1.370 121.318 119.950 -0.005 0.000 2.362 1308 F HA 0.842 5.369 4.527 0.000 0.000 0.311 1308 F C 0.408 176.208 175.800 0.000 0.000 1.161 1308 F CA -1.197 56.802 58.000 -0.001 0.000 1.085 1308 F CB 0.988 39.989 39.000 0.001 0.000 1.311 1308 F HN 0.264 nan 8.300 nan 0.000 0.524 1309 T N -0.641 114.013 114.554 0.168 0.000 2.881 1309 T HA 0.677 5.027 4.350 0.000 0.000 0.290 1309 T C -1.208 173.594 174.700 0.170 0.000 1.000 1309 T CA -0.784 61.350 62.100 0.056 0.000 0.978 1309 T CB 1.027 69.910 68.868 0.026 0.000 0.997 1309 T HN 0.670 nan 8.240 nan 0.000 0.443 1310 V N 3.084 123.074 119.914 0.126 0.000 2.435 1310 V HA 0.636 4.756 4.120 0.000 0.000 0.290 1310 V C 0.130 176.269 176.094 0.074 0.000 1.030 1310 V CA -0.558 61.825 62.300 0.138 0.000 0.881 1310 V CB 1.798 33.717 31.823 0.159 0.000 0.983 1310 V HN 1.133 nan 8.190 nan 0.000 0.445 1311 T N 4.343 118.938 114.554 0.068 0.000 2.864 1311 T HA 0.675 5.025 4.350 0.000 0.000 0.299 1311 T C -0.025 174.701 174.700 0.043 0.000 1.011 1311 T CA -0.228 61.900 62.100 0.046 0.000 0.975 1311 T CB 1.406 70.298 68.868 0.040 0.000 0.962 1311 T HN 0.907 nan 8.240 nan 0.000 0.448 1312 A N 3.085 125.926 122.820 0.035 0.000 2.295 1312 A HA 0.859 5.179 4.320 0.000 0.000 0.318 1312 A C -0.126 177.473 177.584 0.025 0.000 1.134 1312 A CA -0.603 51.452 52.037 0.031 0.000 0.827 1312 A CB 0.916 19.933 19.000 0.028 0.000 1.136 1312 A HN 0.807 nan 8.150 nan 0.000 0.493 1313 E N 0.173 120.386 120.200 0.021 0.000 2.381 1313 E HA 0.504 4.854 4.350 0.000 0.000 0.286 1313 E C -0.374 176.235 176.600 0.014 0.000 0.960 1313 E CA 0.119 56.531 56.400 0.019 0.000 0.793 1313 E CB 1.652 31.364 29.700 0.019 0.000 1.225 1313 E HN 2.097 nan 8.360 nan 0.000 0.420 1314 G N 2.390 111.200 108.800 0.016 0.000 2.373 1314 G HA2 -0.042 3.918 3.960 0.000 0.000 0.634 1314 G HA3 -0.042 3.918 3.960 0.000 0.000 0.634 1314 G C -1.572 173.340 174.900 0.020 0.000 1.267 1314 G CA -0.829 44.280 45.100 0.015 0.000 1.008 1314 G HN 0.425 nan 8.290 nan 0.000 0.497 1315 K N 0.197 120.611 120.400 0.024 0.000 2.156 1315 K HA 0.813 5.133 4.320 0.000 0.000 0.271 1315 K C 0.754 177.377 176.600 0.038 0.000 0.995 1315 K CA 0.718 57.025 56.287 0.035 0.000 0.890 1315 K CB 1.352 33.877 32.500 0.043 0.000 1.073 1315 K HN 2.169 nan 8.250 nan 0.000 0.454 1316 G N 0.563 109.391 108.800 0.047 0.000 2.302 1316 G HA2 0.098 4.058 3.960 0.000 0.000 0.276 1316 G HA3 0.098 4.058 3.960 0.000 0.000 0.276 1316 G C -1.800 173.130 174.900 0.049 0.000 1.316 1316 G CA -0.867 44.267 45.100 0.057 0.000 0.988 1316 G HN 0.567 nan 8.290 nan 0.000 0.479 1317 Q N -0.664 119.167 119.800 0.051 0.000 2.327 1317 Q HA 0.584 4.924 4.340 0.000 0.000 0.265 1317 Q C -0.199 175.821 176.000 0.033 0.000 0.993 1317 Q CA -0.009 55.819 55.803 0.041 0.000 0.885 1317 Q CB 1.484 30.251 28.738 0.048 0.000 1.379 1317 Q HN 1.724 nan 8.270 nan 0.000 0.408 1318 G N 0.758 109.571 108.800 0.023 0.000 3.166 1318 G HA2 0.794 4.754 3.960 0.000 0.000 0.267 1318 G HA3 0.794 4.754 3.960 0.000 0.000 0.267 1318 G C -1.282 173.625 174.900 0.011 0.000 1.256 1318 G CA -0.483 44.624 45.100 0.013 0.000 0.859 1318 G HN 0.449 nan 8.290 nan 0.000 0.590 1319 T N 0.140 114.697 114.554 0.005 0.000 3.105 1319 T HA 0.464 4.814 4.350 0.000 0.000 0.321 1319 T C -1.641 173.062 174.700 0.006 0.000 1.135 1319 T CA -0.290 61.813 62.100 0.006 0.000 1.053 1319 T CB 1.821 70.691 68.868 0.003 0.000 1.133 1319 T HN 0.559 nan 8.240 nan 0.000 0.463 1320 L N 3.626 124.858 121.223 0.015 0.000 2.329 1320 L HA 0.876 5.216 4.340 0.000 0.000 0.279 1320 L C -0.482 176.404 176.870 0.028 0.000 1.014 1320 L CA -0.114 54.741 54.840 0.025 0.000 0.814 1320 L CB 1.531 43.615 42.059 0.042 0.000 1.257 1320 L HN 0.762 nan 8.230 nan 0.000 0.424 1321 S N 3.663 119.382 115.700 0.032 0.000 2.619 1321 S HA 0.818 5.288 4.470 0.000 0.000 0.280 1321 S C -1.227 173.406 174.600 0.054 0.000 1.150 1321 S CA -0.731 57.490 58.200 0.034 0.000 0.978 1321 S CB 1.459 64.669 63.200 0.017 0.000 1.041 1321 S HN 0.423 nan 8.310 nan 0.000 0.485 1322 V N 3.194 123.152 119.914 0.075 0.000 2.443 1322 V HA 0.645 4.765 4.120 0.000 0.000 0.293 1322 V C -0.812 175.329 176.094 0.079 0.000 1.021 1322 V CA -0.526 61.839 62.300 0.108 0.000 0.848 1322 V CB 1.492 33.445 31.823 0.216 0.000 0.998 1322 V HN 0.873 nan 8.190 nan 0.000 0.424 1323 V N 3.775 123.726 119.914 0.063 0.000 2.638 1323 V HA 0.605 4.725 4.120 0.000 0.000 0.306 1323 V C 0.128 176.258 176.094 0.060 0.000 1.052 1323 V CA -0.542 61.791 62.300 0.055 0.000 0.885 1323 V CB 2.537 34.383 31.823 0.038 0.000 0.999 1323 V HN 0.954 nan 8.190 nan 0.000 0.424 1324 T N 2.815 117.414 114.554 0.076 0.000 2.829 1324 T HA 0.801 5.151 4.350 0.000 0.000 0.282 1324 T C -0.538 174.247 174.700 0.142 0.000 0.990 1324 T CA -0.659 61.493 62.100 0.088 0.000 1.028 1324 T CB 1.256 70.163 68.868 0.064 0.000 0.951 1324 T HN 0.454 nan 8.240 nan 0.000 0.460 1325 M N 3.621 123.297 119.600 0.127 0.000 2.364 1325 M HA 0.640 5.120 4.480 0.000 0.000 0.334 1325 M C -1.091 175.320 176.300 0.184 0.000 1.107 1325 M CA -0.930 54.437 55.300 0.112 0.000 0.988 1325 M CB 1.745 34.352 32.600 0.012 0.000 1.673 1325 M HN 0.952 nan 8.290 nan 0.000 0.441 1326 Y N -0.906 119.328 120.300 -0.109 0.000 2.871 1326 Y HA 0.555 5.105 4.550 0.000 0.000 0.331 1326 Y C -1.746 174.019 175.900 -0.225 0.000 1.378 1326 Y CA -1.530 56.504 58.100 -0.109 0.000 1.079 1326 Y CB 0.840 39.297 38.460 -0.004 0.000 1.441 1326 Y HN 0.594 nan 8.280 nan 0.000 0.446 1327 H N 1.167 120.215 119.070 -0.038 0.000 2.597 1327 H HA 0.777 5.333 4.556 0.000 0.000 0.303 1327 H C -0.406 174.860 175.328 -0.104 0.000 1.057 1327 H CA -0.087 55.878 56.048 -0.138 0.000 1.261 1327 H CB 1.260 31.017 29.762 -0.008 0.000 1.397 1327 H HN 0.908 nan 8.280 nan 0.000 0.461 1328 A N 3.046 125.729 122.820 -0.229 0.000 2.310 1328 A HA 0.223 4.543 4.320 0.000 0.000 0.299 1328 A C 0.527 178.148 177.584 0.061 0.000 1.147 1328 A CA -0.825 51.202 52.037 -0.018 0.000 0.818 1328 A CB 0.401 19.316 19.000 -0.141 0.000 1.096 1328 A HN 0.798 nan 8.150 nan 0.000 0.495 1329 K N 2.525 122.990 120.400 0.109 0.000 2.715 1329 K HA 0.283 4.603 4.320 0.000 0.000 0.248 1329 K C 1.135 177.767 176.600 0.054 0.000 1.276 1329 K CA 0.334 56.666 56.287 0.075 0.000 1.209 1329 K CB -0.502 32.044 32.500 0.077 0.000 1.509 1329 K HN 0.750 nan 8.250 nan 0.000 0.261 1330 A N 2.454 125.296 122.820 0.036 0.000 1.835 1330 A HA -0.125 4.195 4.320 0.000 0.000 0.215 1330 A C 0.228 177.828 177.584 0.028 0.000 1.199 1330 A CA 0.859 52.911 52.037 0.026 0.000 0.615 1330 A CB -0.290 18.715 19.000 0.009 0.000 0.838 1330 A HN 0.611 nan 8.150 nan 0.000 0.444 1331 K N 1.408 121.825 120.400 0.027 0.000 2.356 1331 K HA -0.100 4.220 4.320 0.000 0.000 0.252 1331 K C -0.359 176.257 176.600 0.028 0.000 1.187 1331 K CA 0.830 57.134 56.287 0.028 0.000 1.227 1331 K CB -0.659 31.860 32.500 0.032 0.000 0.758 1331 K HN 0.565 nan 8.250 nan 0.000 0.510 1332 D N 0.965 121.380 120.400 0.024 0.000 3.395 1332 D HA -0.235 4.405 4.640 0.000 0.000 0.238 1332 D C -0.275 176.039 176.300 0.023 0.000 1.741 1332 D CA 0.875 54.887 54.000 0.021 0.000 1.135 1332 D CB -0.272 40.539 40.800 0.018 0.000 0.767 1332 D HN 0.615 nan 8.370 nan 0.000 0.934 1333 Q N 0.230 120.043 119.800 0.021 0.000 2.398 1333 Q HA 0.134 4.475 4.340 0.000 0.000 0.329 1333 Q C 0.663 176.681 176.000 0.030 0.000 1.079 1333 Q CA 0.515 56.332 55.803 0.024 0.000 1.041 1333 Q CB 0.026 28.777 28.738 0.021 0.000 1.084 1333 Q HN 0.500 nan 8.270 nan 0.000 0.386 1334 L N 1.790 123.034 121.223 0.035 0.000 3.597 1334 L HA -0.317 4.023 4.340 0.000 0.000 0.440 1334 L C 1.025 177.915 176.870 0.033 0.000 1.277 1334 L CA 0.391 55.252 54.840 0.035 0.000 0.852 1334 L CB -1.211 40.865 42.059 0.029 0.000 1.708 1334 L HN 1.032 nan 8.230 nan 0.000 0.885 1335 T N -4.654 109.923 114.554 0.039 0.000 3.407 1335 T HA -0.122 4.228 4.350 0.000 0.000 0.204 1335 T C 1.461 176.190 174.700 0.048 0.000 0.879 1335 T CA 0.800 62.924 62.100 0.039 0.000 2.438 1335 T CB 0.005 68.899 68.868 0.043 0.000 1.594 1335 T HN 0.797 nan 8.240 nan 0.000 0.353 1336 c N 0.972 119.610 118.600 0.064 0.000 5.678 1336 c HA -0.313 4.257 4.570 0.000 0.000 0.302 1336 c C 1.098 175.259 174.090 0.117 0.000 2.210 1336 c CA 1.418 57.800 56.329 0.089 0.000 1.973 1336 c CB -2.682 39.878 42.510 0.084 0.000 2.925 1336 c HN 1.145 nan 8.230 nan 0.000 0.410 1337 N N -0.926 117.815 118.700 0.068 0.000 1.191 1337 N HA -0.230 4.510 4.740 0.000 0.000 0.120 1337 N C -0.112 175.379 175.510 -0.032 0.000 0.826 1337 N CA 1.901 54.973 53.050 0.038 0.000 0.876 1337 N CB -1.071 37.467 38.487 0.085 0.000 1.050 1337 N HN 0.665 nan 8.380 nan 0.000 0.603 1338 K N 0.837 121.162 120.400 -0.125 0.000 2.968 1338 K HA 0.385 4.705 4.320 0.000 0.000 0.249 1338 K C -0.772 175.357 176.600 -0.786 0.000 1.062 1338 K CA 0.379 56.333 56.287 -0.556 0.000 1.215 1338 K CB -0.498 31.465 32.500 -0.894 0.000 1.097 1338 K HN 0.248 nan 8.250 nan 0.000 0.462 1339 F N -0.561 119.349 119.950 -0.066 0.000 2.608 1339 F HA 0.261 4.788 4.527 0.000 0.000 0.309 1339 F C -0.717 175.089 175.800 0.011 0.000 1.103 1339 F CA -1.290 56.718 58.000 0.014 0.000 0.954 1339 F CB 2.001 41.037 39.000 0.060 0.000 1.267 1339 F HN -0.115 nan 8.300 nan 0.000 0.444 1340 D N 3.410 123.934 120.400 0.207 0.000 2.432 1340 D HA 0.289 4.929 4.640 0.000 0.000 0.265 1340 D C -1.042 175.332 176.300 0.124 0.000 1.160 1340 D CA -0.198 53.877 54.000 0.125 0.000 0.911 1340 D CB 1.516 42.361 40.800 0.074 0.000 1.052 1340 D HN 0.217 nan 8.370 nan 0.000 0.508 1341 L N 2.210 123.499 121.223 0.111 0.000 2.265 1341 L HA 0.398 4.738 4.340 0.000 0.000 0.288 1341 L C -0.676 176.222 176.870 0.047 0.000 1.058 1341 L CA -0.228 54.654 54.840 0.071 0.000 0.809 1341 L CB 0.534 42.618 42.059 0.041 0.000 1.179 1341 L HN -0.040 nan 8.230 nan 0.000 0.429 1342 K N 4.117 124.537 120.400 0.033 0.000 2.450 1342 K HA 0.645 4.965 4.320 0.000 0.000 0.257 1342 K C -1.303 175.295 176.600 -0.002 0.000 0.953 1342 K CA -0.332 55.968 56.287 0.022 0.000 0.844 1342 K CB 2.027 34.539 32.500 0.020 0.000 1.103 1342 K HN 0.354 nan 8.250 nan 0.000 0.429 1343 V N 2.442 122.357 119.914 0.002 0.000 2.555 1343 V HA 0.611 4.731 4.120 0.000 0.000 0.302 1343 V C -0.468 175.608 176.094 -0.030 0.000 1.038 1343 V CA -0.630 61.647 62.300 -0.038 0.000 0.887 1343 V CB 2.074 33.890 31.823 -0.013 0.000 0.991 1343 V HN 0.789 nan 8.190 nan 0.000 0.434 1344 T N 5.184 119.679 114.554 -0.098 0.000 2.933 1344 T HA 0.622 4.972 4.350 0.000 0.000 0.305 1344 T C -1.047 173.563 174.700 -0.150 0.000 1.092 1344 T CA -0.299 61.755 62.100 -0.077 0.000 1.008 1344 T CB 1.978 70.812 68.868 -0.058 0.000 1.102 1344 T HN 0.463 nan 8.240 nan 0.000 0.469 1345 I N 2.637 123.145 120.570 -0.103 0.000 2.433 1345 I HA 0.625 4.795 4.170 0.000 0.000 0.292 1345 I C -1.033 175.024 176.117 -0.099 0.000 1.001 1345 I CA -0.458 60.756 61.300 -0.144 0.000 1.119 1345 I CB 0.962 38.900 38.000 -0.103 0.000 1.289 1345 I HN 0.513 nan 8.210 nan 0.000 0.438 1346 K N 7.207 127.539 120.400 -0.114 0.000 2.502 1346 K HA 0.575 4.895 4.320 0.000 0.000 0.257 1346 K C -2.665 173.892 176.600 -0.072 0.000 0.938 1346 K CA -1.648 54.593 56.287 -0.077 0.000 0.819 1346 K CB 1.824 34.283 32.500 -0.067 0.000 1.333 1346 K HN 0.254 nan 8.250 nan 0.000 0.434 1347 P HA 0.032 nan 4.420 nan 0.000 0.274 1347 P C -1.198 176.084 177.300 -0.031 0.000 1.264 1347 P CA -0.321 62.762 63.100 -0.029 0.000 0.795 1347 P CB 0.473 32.165 31.700 -0.014 0.000 1.064 1348 A N 0.082 122.891 122.820 -0.017 0.000 2.356 1348 A HA 0.703 5.023 4.320 0.000 0.000 0.323 1348 A C -2.004 175.578 177.584 -0.004 0.000 1.119 1348 A CA -1.117 50.910 52.037 -0.016 0.000 0.790 1348 A CB -1.222 17.770 19.000 -0.014 0.000 1.273 1348 A HN 0.447 nan 8.150 nan 0.000 0.452 1360 N N 1.206 119.929 118.700 0.039 0.000 2.171 1360 N HA -0.048 4.692 4.740 0.000 0.000 0.184 1360 N C -0.290 175.281 175.510 0.101 0.000 1.021 1360 N CA 1.768 54.862 53.050 0.074 0.000 0.854 1360 N CB -0.325 38.226 38.487 0.106 0.000 0.994 1360 N HN 0.461 nan 8.380 nan 0.000 0.426 1361 T N 0.301 114.943 114.554 0.147 0.000 0.543 1361 T HA -0.232 4.118 4.350 0.000 0.000 0.774 1361 T C -0.504 174.203 174.700 0.012 0.000 0.992 1361 T CA 0.675 62.806 62.100 0.052 0.000 4.076 1361 T CB -0.487 68.345 68.868 -0.060 0.000 2.302 1361 T HN 0.140 nan 8.240 nan 0.000 0.398 1362 M N 3.847 123.426 119.600 -0.035 0.000 2.704 1362 M HA 0.636 5.116 4.480 0.000 0.000 0.284 1362 M C -0.486 175.725 176.300 -0.149 0.000 1.275 1362 M CA -1.052 54.199 55.300 -0.081 0.000 0.811 1362 M CB 2.091 34.634 32.600 -0.095 0.000 1.741 1362 M HN 0.494 nan 8.290 nan 0.000 0.458 1363 I N 1.949 122.420 120.570 -0.166 0.000 2.378 1363 I HA 0.371 4.541 4.170 0.000 0.000 0.291 1363 I C -1.282 174.652 176.117 -0.306 0.000 0.992 1363 I CA -0.812 60.361 61.300 -0.212 0.000 1.154 1363 I CB 1.729 39.641 38.000 -0.147 0.000 1.315 1363 I HN 0.358 nan 8.210 nan 0.000 0.448 1364 L N 7.099 128.039 121.223 -0.472 0.000 2.313 1364 L HA 0.382 4.722 4.340 0.000 0.000 0.273 1364 L C -0.135 176.425 176.870 -0.517 0.000 1.028 1364 L CA -0.025 54.451 54.840 -0.606 0.000 0.871 1364 L CB 0.881 42.384 42.059 -0.927 0.000 1.242 1364 L HN 0.555 nan 8.230 nan 0.000 0.434 1365 E N 5.091 125.097 120.200 -0.323 0.000 2.200 1365 E HA 0.421 4.771 4.350 0.000 0.000 0.283 1365 E C -1.133 175.362 176.600 -0.174 0.000 1.015 1365 E CA -0.406 55.870 56.400 -0.207 0.000 0.819 1365 E CB 0.870 30.491 29.700 -0.132 0.000 1.081 1365 E HN 0.642 nan 8.360 nan 0.000 0.397 1366 I N 5.438 125.937 120.570 -0.120 0.000 2.420 1366 I HA 0.267 4.437 4.170 0.000 0.000 0.282 1366 I C -0.654 175.449 176.117 -0.023 0.000 1.019 1366 I CA -0.832 60.423 61.300 -0.074 0.000 1.130 1366 I CB 1.198 39.164 38.000 -0.058 0.000 1.262 1366 I HN 0.532 nan 8.210 nan 0.000 0.454 1367 c N 3.669 122.262 118.600 -0.011 0.000 2.366 1367 c HA 0.793 5.363 4.570 0.000 0.000 0.345 1367 c C 0.641 174.757 174.090 0.044 0.000 1.209 1367 c CA -0.284 56.054 56.329 0.016 0.000 2.050 1367 c CB 1.404 43.921 42.510 0.013 0.000 2.359 1367 c HN 0.770 nan 8.230 nan 0.000 0.527 1368 T N 2.144 116.741 114.554 0.071 0.000 2.932 1368 T HA 0.656 5.006 4.350 0.000 0.000 0.318 1368 T C -1.208 173.579 174.700 0.145 0.000 1.265 1368 T CA -0.512 61.663 62.100 0.126 0.000 1.036 1368 T CB 1.251 70.210 68.868 0.152 0.000 1.209 1368 T HN 0.893 nan 8.240 nan 0.000 0.484 1369 R N 1.828 122.439 120.500 0.184 0.000 2.799 1369 R HA 0.611 4.952 4.340 0.000 0.000 0.270 1369 R C -2.103 174.289 176.300 0.153 0.000 1.010 1369 R CA -0.809 55.382 56.100 0.152 0.000 0.916 1369 R CB 1.828 32.182 30.300 0.090 0.000 1.228 1369 R HN 0.688 nan 8.270 nan 0.000 0.469 1370 Y N 1.430 121.705 120.300 -0.041 0.000 2.364 1370 Y HA 0.442 4.992 4.550 0.000 0.000 0.340 1370 Y C -0.670 175.157 175.900 -0.121 0.000 0.975 1370 Y CA -0.773 57.193 58.100 -0.224 0.000 1.089 1370 Y CB 1.476 39.813 38.460 -0.205 0.000 1.192 1370 Y HN 0.434 nan 8.280 nan 0.000 0.454 1371 R N 4.719 124.748 120.500 -0.784 0.000 2.419 1371 R HA 0.521 4.861 4.340 0.000 0.000 0.305 1371 R C -0.342 175.588 176.300 -0.616 0.000 1.242 1371 R CA 0.013 55.806 56.100 -0.513 0.000 1.105 1371 R CB -0.037 30.033 30.300 -0.384 0.000 1.116 1371 R HN 0.899 nan 8.270 nan 0.000 0.523 1372 G N 0.556 109.209 108.800 -0.244 0.000 2.495 1372 G HA2 0.035 3.995 3.960 0.000 0.000 0.294 1372 G HA3 0.035 3.995 3.960 0.000 0.000 0.294 1372 G C -0.832 173.914 174.900 -0.257 0.000 1.397 1372 G CA -0.603 44.435 45.100 -0.103 0.000 0.790 1372 G HN 0.271 nan 8.290 nan 0.000 0.486 1373 D N 0.025 120.264 120.400 -0.268 0.000 2.349 1373 D HA 0.184 4.824 4.640 0.000 0.000 0.214 1373 D C 0.265 176.258 176.300 -0.513 0.000 1.063 1373 D CA 0.671 54.402 54.000 -0.448 0.000 0.847 1373 D CB 0.636 41.331 40.800 -0.174 0.000 0.933 1373 D HN 0.191 nan 8.370 nan 0.000 0.513 1374 Q N 0.728 120.336 119.800 -0.320 0.000 2.323 1374 Q HA 0.219 4.559 4.340 0.000 0.000 0.271 1374 Q C -0.950 175.079 176.000 0.049 0.000 1.048 1374 Q CA -0.624 55.129 55.803 -0.083 0.000 0.792 1374 Q CB 1.987 30.705 28.738 -0.033 0.000 1.280 1374 Q HN -0.075 nan 8.270 nan 0.000 0.441 1375 D N 2.014 122.534 120.400 0.200 0.000 2.402 1375 D HA 0.143 4.783 4.640 0.000 0.000 0.268 1375 D C 0.209 176.453 176.300 -0.095 0.000 1.294 1375 D CA 0.386 54.463 54.000 0.128 0.000 0.945 1375 D CB 0.320 41.177 40.800 0.096 0.000 1.112 1375 D HN 0.540 nan 8.370 nan 0.000 0.517 1376 A N 3.175 125.776 122.820 -0.364 0.000 2.587 1376 A HA 0.187 4.507 4.320 0.000 0.000 0.233 1376 A C 1.469 178.969 177.584 -0.139 0.000 1.049 1376 A CA 0.283 51.989 52.037 -0.552 0.000 0.754 1376 A CB 0.009 18.459 19.000 -0.916 0.000 0.977 1376 A HN 0.628 nan 8.150 nan 0.000 0.509 1377 T N 1.392 115.941 114.554 -0.008 0.000 5.193 1377 T HA 0.305 4.655 4.350 0.000 0.000 0.380 1377 T C 0.765 175.549 174.700 0.140 0.000 1.047 1377 T CA 0.177 62.346 62.100 0.116 0.000 0.901 1377 T CB -0.179 68.851 68.868 0.270 0.000 1.613 1377 T HN 0.525 nan 8.240 nan 0.000 0.435 1378 M N 1.793 121.523 119.600 0.216 0.000 2.217 1378 M HA 0.344 4.824 4.480 0.000 0.000 0.352 1378 M C -0.315 176.104 176.300 0.197 0.000 1.376 1378 M CA -0.088 55.309 55.300 0.162 0.000 1.107 1378 M CB 0.563 33.194 32.600 0.052 0.000 1.723 1378 M HN 0.486 nan 8.290 nan 0.000 0.461 1379 S N 2.884 118.644 115.700 0.100 0.000 2.677 1379 S HA 0.812 5.282 4.470 0.000 0.000 0.304 1379 S C -0.651 173.874 174.600 -0.125 0.000 1.108 1379 S CA -0.756 57.440 58.200 -0.007 0.000 0.944 1379 S CB 1.663 64.884 63.200 0.035 0.000 1.127 1379 S HN 0.470 nan 8.310 nan 0.000 0.511 1380 I N 1.080 121.404 120.570 -0.409 0.000 2.569 1380 I HA 0.435 4.605 4.170 0.000 0.000 0.296 1380 I C -1.007 174.832 176.117 -0.464 0.000 1.028 1380 I CA -0.200 60.794 61.300 -0.510 0.000 1.082 1380 I CB 1.449 38.971 38.000 -0.797 0.000 1.264 1380 I HN 0.395 nan 8.210 nan 0.000 0.429 1381 L N 4.770 125.787 121.223 -0.343 0.000 2.356 1381 L HA 0.359 4.699 4.340 0.000 0.000 0.264 1381 L C -0.712 176.045 176.870 -0.188 0.000 1.029 1381 L CA -0.410 54.295 54.840 -0.224 0.000 0.897 1381 L CB 0.708 42.677 42.059 -0.150 0.000 1.256 1381 L HN 0.503 nan 8.230 nan 0.000 0.444 1382 D N 4.427 124.755 120.400 -0.121 0.000 2.422 1382 D HA 0.317 4.957 4.640 0.000 0.000 0.227 1382 D C -0.251 176.034 176.300 -0.025 0.000 1.190 1382 D CA 0.008 53.975 54.000 -0.054 0.000 0.905 1382 D CB 0.450 41.272 40.800 0.037 0.000 1.034 1382 D HN 0.250 nan 8.370 nan 0.000 0.507 1383 I N 1.968 122.531 120.570 -0.013 0.000 2.437 1383 I HA 0.260 4.430 4.170 0.000 0.000 0.298 1383 I C 0.215 176.376 176.117 0.073 0.000 0.984 1383 I CA -0.853 60.480 61.300 0.054 0.000 1.214 1383 I CB 1.779 39.842 38.000 0.105 0.000 1.365 1383 I HN 0.286 nan 8.210 nan 0.000 0.469 1384 S N 6.554 122.324 115.700 0.117 0.000 2.640 1384 S HA 0.544 5.014 4.470 0.000 0.000 0.320 1384 S C -0.332 174.370 174.600 0.170 0.000 1.097 1384 S CA -1.020 57.242 58.200 0.102 0.000 1.092 1384 S CB 1.164 64.395 63.200 0.051 0.000 0.988 1384 S HN 0.387 nan 8.310 nan 0.000 0.470 1385 M N 2.992 122.704 119.600 0.187 0.000 2.240 1385 M HA 0.241 4.721 4.480 0.000 0.000 0.317 1385 M C 0.446 176.853 176.300 0.179 0.000 1.087 1385 M CA 0.475 55.928 55.300 0.254 0.000 1.176 1385 M CB -0.184 32.581 32.600 0.275 0.000 1.439 1385 M HN 0.685 nan 8.290 nan 0.000 0.452 1386 M N 0.584 120.293 119.600 0.182 0.000 2.233 1386 M HA 0.079 4.559 4.480 0.000 0.000 0.350 1386 M C 0.684 177.166 176.300 0.304 0.000 1.176 1386 M CA -0.043 55.336 55.300 0.130 0.000 1.150 1386 M CB 0.433 33.006 32.600 -0.046 0.000 1.530 1386 M HN 0.632 nan 8.290 nan 0.000 0.459 1387 T N 2.002 116.678 114.554 0.204 0.000 2.738 1387 T HA 0.243 4.593 4.350 0.000 0.000 0.277 1387 T C 1.051 175.837 174.700 0.145 0.000 0.981 1387 T CA 1.536 63.725 62.100 0.149 0.000 1.211 1387 T CB -0.538 68.379 68.868 0.083 0.000 0.932 1387 T HN 0.965 nan 8.240 nan 0.000 0.522 1388 G N 3.832 112.614 108.800 -0.029 0.000 2.163 1388 G HA2 -0.147 3.813 3.960 0.000 0.000 0.213 1388 G HA3 -0.147 3.813 3.960 0.000 0.000 0.213 1388 G C -0.164 174.320 174.900 -0.693 0.000 0.991 1388 G CA -0.324 44.494 45.100 -0.471 0.000 0.653 1388 G HN 0.660 nan 8.290 nan 0.000 0.518 1389 F N 0.674 120.640 119.950 0.026 0.000 2.563 1389 F HA 0.821 5.348 4.527 0.000 0.000 0.316 1389 F C 0.322 176.407 175.800 0.476 0.000 1.076 1389 F CA -0.299 57.848 58.000 0.244 0.000 0.921 1389 F CB 2.532 41.634 39.000 0.171 0.000 1.209 1389 F HN 0.448 nan 8.300 nan 0.000 0.462 1390 A N 3.017 126.243 122.820 0.677 0.000 2.455 1390 A HA 0.816 5.136 4.320 0.000 0.000 0.300 1390 A C -3.045 174.734 177.584 0.325 0.000 1.040 1390 A CA -1.970 50.317 52.037 0.418 0.000 0.697 1390 A CB 1.540 20.698 19.000 0.264 0.000 1.265 1390 A HN 0.382 nan 8.150 nan 0.000 0.407 1391 P HA 0.114 nan 4.420 nan 0.000 0.267 1391 P C -0.754 176.611 177.300 0.107 0.000 1.200 1391 P CA 0.191 63.417 63.100 0.209 0.000 0.772 1391 P CB 0.484 32.188 31.700 0.006 0.000 0.855 1392 D N 1.068 121.620 120.400 0.254 0.000 2.339 1392 D HA 0.002 4.642 4.640 0.000 0.000 0.256 1392 D C 1.240 177.583 176.300 0.071 0.000 1.214 1392 D CA 0.225 54.396 54.000 0.284 0.000 0.877 1392 D CB 0.461 41.477 40.800 0.362 0.000 1.111 1392 D HN 0.335 nan 8.370 nan 0.000 0.478 1393 T N 1.063 115.603 114.554 -0.023 0.000 2.665 1393 T HA -0.245 4.105 4.350 0.000 0.000 0.268 1393 T C 1.229 175.914 174.700 -0.026 0.000 1.035 1393 T CA 1.293 63.342 62.100 -0.084 0.000 1.151 1393 T CB -0.173 68.638 68.868 -0.096 0.000 0.862 1393 T HN 0.302 nan 8.240 nan 0.000 0.438 1394 D N 1.840 122.262 120.400 0.036 0.000 2.123 1394 D HA -0.084 4.556 4.640 0.000 0.000 0.196 1394 D C 1.932 178.249 176.300 0.029 0.000 0.992 1394 D CA 1.435 55.457 54.000 0.037 0.000 0.833 1394 D CB -0.589 40.252 40.800 0.068 0.000 0.954 1394 D HN 0.454 nan 8.370 nan 0.000 0.455 1395 D N -0.149 120.283 120.400 0.053 0.000 2.219 1395 D HA -0.038 4.602 4.640 0.000 0.000 0.205 1395 D C 2.257 178.549 176.300 -0.013 0.000 0.970 1395 D CA 0.221 54.253 54.000 0.053 0.000 0.851 1395 D CB -0.214 40.664 40.800 0.130 0.000 0.943 1395 D HN 0.237 nan 8.370 nan 0.000 0.488 1396 L N 0.122 121.298 121.223 -0.078 0.000 2.093 1396 L HA -0.133 4.207 4.340 0.000 0.000 0.208 1396 L C 2.110 178.914 176.870 -0.111 0.000 1.085 1396 L CA 0.920 55.663 54.840 -0.162 0.000 0.755 1396 L CB -0.215 41.713 42.059 -0.217 0.000 0.904 1396 L HN -0.108 nan 8.230 nan 0.000 0.435 1397 K N -0.063 120.294 120.400 -0.072 0.000 2.147 1397 K HA -0.204 4.116 4.320 0.000 0.000 0.205 1397 K C 2.066 178.647 176.600 -0.032 0.000 1.049 1397 K CA 0.979 57.235 56.287 -0.052 0.000 0.936 1397 K CB -0.248 32.231 32.500 -0.034 0.000 0.722 1397 K HN 0.090 nan 8.250 nan 0.000 0.446 1398 Q N 0.448 120.236 119.800 -0.020 0.000 2.079 1398 Q HA 0.008 4.348 4.340 0.000 0.000 0.200 1398 Q C 1.632 177.628 176.000 -0.007 0.000 0.974 1398 Q CA 1.445 57.246 55.803 -0.004 0.000 0.840 1398 Q CB -0.060 28.685 28.738 0.011 0.000 0.898 1398 Q HN 0.316 nan 8.270 nan 0.000 0.430 1399 L N -0.492 120.718 121.223 -0.022 0.000 2.240 1399 L HA 0.059 4.400 4.340 0.000 0.000 0.211 1399 L C 2.286 179.139 176.870 -0.028 0.000 1.106 1399 L CA 0.664 55.490 54.840 -0.023 0.000 0.793 1399 L CB -0.595 41.437 42.059 -0.044 0.000 0.927 1399 L HN 0.263 nan 8.230 nan 0.000 0.446 1400 A N 0.586 123.377 122.820 -0.048 0.000 1.873 1400 A HA -0.161 4.159 4.320 0.000 0.000 0.215 1400 A C 1.917 179.505 177.584 0.006 0.000 1.186 1400 A CA 1.619 53.628 52.037 -0.045 0.000 0.616 1400 A CB -0.435 18.515 19.000 -0.084 0.000 0.823 1400 A HN 0.389 nan 8.150 nan 0.000 0.442 1401 N N 0.528 119.230 118.700 0.003 0.000 2.512 1401 N HA 0.046 4.786 4.740 0.000 0.000 0.183 1401 N C 1.033 176.557 175.510 0.023 0.000 1.073 1401 N CA 0.719 53.780 53.050 0.018 0.000 0.911 1401 N CB -0.513 37.980 38.487 0.009 0.000 0.964 1401 N HN 0.445 nan 8.380 nan 0.000 0.447 1402 G N 0.260 109.072 108.800 0.020 0.000 2.664 1402 G HA2 0.212 4.172 3.960 0.000 0.000 0.242 1402 G HA3 0.212 4.172 3.960 0.000 0.000 0.242 1402 G C -0.090 174.829 174.900 0.031 0.000 1.225 1402 G CA -0.378 44.736 45.100 0.023 0.000 0.849 1402 G HN 0.090 nan 8.290 nan 0.000 0.581 1403 V N 0.953 120.883 119.914 0.026 0.000 2.686 1403 V HA 0.284 4.404 4.120 0.000 0.000 0.295 1403 V C 0.504 176.617 176.094 0.032 0.000 1.055 1403 V CA 0.445 62.760 62.300 0.026 0.000 1.050 1403 V CB 0.903 32.736 31.823 0.017 0.000 0.984 1403 V HN 0.947 nan 8.190 nan 0.000 0.482 1404 D N 3.079 123.500 120.400 0.033 0.000 3.059 1404 D HA -0.156 4.484 4.640 0.000 0.000 0.220 1404 D C 0.106 176.443 176.300 0.061 0.000 1.169 1404 D CA 1.231 55.254 54.000 0.039 0.000 0.902 1404 D CB -0.840 39.979 40.800 0.031 0.000 1.116 1404 D HN 0.774 nan 8.370 nan 0.000 0.417 1405 R N -0.465 120.081 120.500 0.077 0.000 2.673 1405 R HA 0.629 4.969 4.340 0.000 0.000 0.281 1405 R C -1.156 175.247 176.300 0.171 0.000 0.991 1405 R CA -0.850 55.310 56.100 0.100 0.000 0.896 1405 R CB 2.454 32.786 30.300 0.053 0.000 1.201 1405 R HN 0.099 nan 8.270 nan 0.000 0.457 1406 Y N 2.798 123.126 120.300 0.046 0.000 2.482 1406 Y HA 0.539 5.089 4.550 0.000 0.000 0.334 1406 Y C -1.790 174.180 175.900 0.117 0.000 1.091 1406 Y CA -0.785 57.349 58.100 0.055 0.000 1.027 1406 Y CB 1.497 39.975 38.460 0.031 0.000 1.306 1406 Y HN 0.513 nan 8.280 nan 0.000 0.446 1407 I N 5.402 125.545 120.570 -0.712 0.000 2.466 1407 I HA 0.319 4.489 4.170 0.000 0.000 0.289 1407 I C -0.308 175.331 176.117 -0.797 0.000 1.026 1407 I CA -1.141 59.819 61.300 -0.566 0.000 1.078 1407 I CB 2.188 40.007 38.000 -0.303 0.000 1.249 1407 I HN 0.762 nan 8.210 nan 0.000 0.429 1408 S N 4.752 120.167 115.700 -0.475 0.000 2.563 1408 S HA -0.042 4.428 4.470 0.000 0.000 0.294 1408 S C 1.098 175.634 174.600 -0.107 0.000 1.279 1408 S CA -0.264 57.817 58.200 -0.199 0.000 1.069 1408 S CB 0.956 64.226 63.200 0.116 0.000 0.828 1408 S HN 0.864 nan 8.310 nan 0.000 0.497 1409 K N 2.165 122.549 120.400 -0.026 0.000 2.152 1409 K HA -0.239 4.081 4.320 0.000 0.000 0.206 1409 K C 1.649 178.264 176.600 0.025 0.000 1.048 1409 K CA 1.626 57.911 56.287 -0.002 0.000 0.933 1409 K CB -0.364 32.163 32.500 0.045 0.000 0.721 1409 K HN 0.870 nan 8.250 nan 0.000 0.447 1410 Y N 1.219 121.498 120.300 -0.036 0.000 2.483 1410 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 1410 Y C 1.883 177.749 175.900 -0.057 0.000 1.143 1410 Y CA 1.693 59.774 58.100 -0.033 0.000 1.289 1410 Y CB 0.117 38.572 38.460 -0.008 0.000 0.983 1410 Y HN 0.219 nan 8.280 nan 0.000 0.556 1411 E N -0.581 119.588 120.200 -0.052 0.000 2.216 1411 E HA -0.010 4.340 4.350 0.000 0.000 0.192 1411 E C 1.703 178.187 176.600 -0.192 0.000 0.973 1411 E CA 0.652 56.971 56.400 -0.135 0.000 0.851 1411 E CB -0.266 29.390 29.700 -0.072 0.000 0.804 1411 E HN 0.394 nan 8.360 nan 0.000 0.477 1412 L N 1.507 122.630 121.223 -0.166 0.000 2.017 1412 L HA -0.091 4.249 4.340 0.000 0.000 0.208 1412 L C 0.563 177.328 176.870 -0.175 0.000 1.073 1412 L CA 1.636 56.377 54.840 -0.166 0.000 0.745 1412 L CB -0.782 41.199 42.059 -0.130 0.000 0.894 1412 L HN 0.214 nan 8.230 nan 0.000 0.432 1413 D N -0.591 119.703 120.400 -0.177 0.000 2.558 1413 D HA 0.084 4.724 4.640 0.000 0.000 0.221 1413 D C 0.540 176.704 176.300 -0.227 0.000 1.143 1413 D CA 0.074 53.971 54.000 -0.172 0.000 1.010 1413 D CB 0.107 40.827 40.800 -0.134 0.000 1.068 1413 D HN 0.254 nan 8.370 nan 0.000 0.511 1414 K N 0.441 120.706 120.400 -0.225 0.000 2.562 1414 K HA 0.429 4.749 4.320 0.000 0.000 0.218 1414 K C 0.596 177.074 176.600 -0.202 0.000 1.374 1414 K CA 0.095 56.241 56.287 -0.235 0.000 0.996 1414 K CB 0.968 33.309 32.500 -0.265 0.000 1.127 1414 K HN 0.358 nan 8.250 nan 0.000 0.603 1415 A N 1.061 123.760 122.820 -0.202 0.000 6.204 1415 A HA -0.272 4.048 4.320 0.000 0.000 0.272 1415 A C 0.280 177.695 177.584 -0.282 0.000 2.040 1415 A CA 1.049 52.981 52.037 -0.176 0.000 0.717 1415 A CB -1.434 17.534 19.000 -0.054 0.000 1.126 1415 A HN 0.264 nan 8.150 nan 0.000 0.378 1416 F N 0.744 120.582 119.950 -0.187 0.000 2.725 1416 F HA 0.196 4.723 4.527 0.000 0.000 0.303 1416 F C 2.238 177.780 175.800 -0.431 0.000 1.167 1416 F CA 1.173 58.987 58.000 -0.311 0.000 1.403 1416 F CB -0.034 38.805 39.000 -0.268 0.000 1.077 1416 F HN 0.619 nan 8.300 nan 0.000 0.537 1417 S N 0.140 115.740 115.700 -0.168 0.000 2.380 1417 S HA -0.122 4.348 4.470 0.000 0.000 0.213 1417 S C 0.664 175.134 174.600 -0.217 0.000 1.037 1417 S CA 1.431 59.529 58.200 -0.170 0.000 1.034 1417 S CB -0.052 63.074 63.200 -0.124 0.000 1.022 1417 S HN 0.204 nan 8.310 nan 0.000 0.418 1418 D N 0.324 120.611 120.400 -0.188 0.000 2.621 1418 D HA 0.253 4.893 4.640 0.000 0.000 0.274 1418 D C -0.656 175.560 176.300 -0.140 0.000 1.215 1418 D CA -0.109 53.803 54.000 -0.146 0.000 0.810 1418 D CB 0.534 41.271 40.800 -0.106 0.000 1.248 1418 D HN 0.246 nan 8.370 nan 0.000 0.517 1419 R N 1.884 122.291 120.500 -0.155 0.000 3.130 1419 R HA 0.070 4.410 4.340 0.000 0.000 0.348 1419 R C 0.651 176.927 176.300 -0.040 0.000 1.241 1419 R CA -0.217 55.805 56.100 -0.129 0.000 1.141 1419 R CB -0.090 30.088 30.300 -0.203 0.000 1.453 1419 R HN 0.028 nan 8.270 nan 0.000 0.590 1420 N N -0.580 118.122 118.700 0.002 0.000 2.461 1420 N HA -0.071 4.669 4.740 0.000 0.000 0.188 1420 N C -0.347 175.189 175.510 0.045 0.000 1.134 1420 N CA 0.285 53.376 53.050 0.068 0.000 0.878 1420 N CB 0.443 38.975 38.487 0.074 0.000 0.972 1420 N HN 0.174 nan 8.380 nan 0.000 0.456 1421 T N -1.812 112.743 114.554 0.002 0.000 2.881 1421 T HA 0.566 4.916 4.350 0.000 0.000 0.291 1421 T C -0.970 173.709 174.700 -0.035 0.000 0.990 1421 T CA -0.989 61.109 62.100 -0.005 0.000 0.976 1421 T CB 1.456 70.315 68.868 -0.014 0.000 0.970 1421 T HN 0.059 nan 8.240 nan 0.000 0.438 1422 L N 3.676 124.875 121.223 -0.040 0.000 2.362 1422 L HA 0.792 5.132 4.340 0.000 0.000 0.271 1422 L C -1.436 175.359 176.870 -0.126 0.000 1.002 1422 L CA -1.257 53.523 54.840 -0.100 0.000 0.818 1422 L CB 1.616 43.590 42.059 -0.141 0.000 1.298 1422 L HN 0.830 nan 8.230 nan 0.000 0.420 1423 I N 6.282 126.742 120.570 -0.183 0.000 2.439 1423 I HA 0.388 4.558 4.170 0.000 0.000 0.283 1423 I C -0.828 175.055 176.117 -0.390 0.000 1.023 1423 I CA -0.324 60.797 61.300 -0.299 0.000 1.100 1423 I CB 1.569 39.359 38.000 -0.350 0.000 1.238 1423 I HN 0.471 nan 8.210 nan 0.000 0.445 1424 I N 6.652 127.013 120.570 -0.348 0.000 2.330 1424 I HA 0.253 4.423 4.170 0.000 0.000 0.286 1424 I C -0.689 175.287 176.117 -0.234 0.000 1.025 1424 I CA -0.662 60.487 61.300 -0.251 0.000 1.197 1424 I CB 0.476 38.378 38.000 -0.163 0.000 1.358 1424 I HN 0.387 nan 8.210 nan 0.000 0.467 1425 Y N 6.488 126.779 120.300 -0.015 0.000 2.465 1425 Y HA 0.295 4.845 4.550 0.000 0.000 0.331 1425 Y C 0.293 176.214 175.900 0.036 0.000 1.102 1425 Y CA -0.038 58.081 58.100 0.032 0.000 1.358 1425 Y CB 0.411 38.964 38.460 0.154 0.000 1.213 1425 Y HN 0.365 nan 8.280 nan 0.000 0.525 1426 L N 3.434 124.738 121.223 0.134 0.000 2.331 1426 L HA 0.341 4.681 4.340 0.000 0.000 0.275 1426 L C 0.196 177.120 176.870 0.090 0.000 1.022 1426 L CA -0.703 54.192 54.840 0.092 0.000 0.812 1426 L CB 1.588 43.677 42.059 0.050 0.000 1.257 1426 L HN 0.602 nan 8.230 nan 0.000 0.435 1427 D N 0.864 121.304 120.400 0.067 0.000 2.216 1427 D HA 0.021 4.661 4.640 0.000 0.000 0.208 1427 D C 0.063 176.389 176.300 0.043 0.000 0.960 1427 D CA 1.053 55.077 54.000 0.041 0.000 0.861 1427 D CB 0.401 41.215 40.800 0.022 0.000 0.985 1427 D HN 0.504 nan 8.370 nan 0.000 0.493 1428 K N -0.902 119.526 120.400 0.046 0.000 2.587 1428 K HA 0.499 4.820 4.320 0.000 0.000 0.276 1428 K C -1.464 175.165 176.600 0.048 0.000 0.956 1428 K CA -0.994 55.317 56.287 0.040 0.000 0.857 1428 K CB 2.137 34.652 32.500 0.026 0.000 1.431 1428 K HN -0.165 nan 8.250 nan 0.000 0.420 1429 V N -1.404 118.538 119.914 0.046 0.000 2.488 1429 V HA 0.456 4.576 4.120 0.000 0.000 0.293 1429 V C 0.020 176.155 176.094 0.068 0.000 1.027 1429 V CA -0.724 61.621 62.300 0.075 0.000 0.862 1429 V CB 1.087 33.000 31.823 0.149 0.000 1.008 1429 V HN 0.889 nan 8.190 nan 0.000 0.428 1430 S N 3.224 118.953 115.700 0.048 0.000 2.558 1430 S HA 0.067 4.537 4.470 0.000 0.000 0.287 1430 S C 1.197 175.838 174.600 0.067 0.000 1.321 1430 S CA 0.581 58.788 58.200 0.011 0.000 1.048 1430 S CB 0.135 63.302 63.200 -0.054 0.000 0.844 1430 S HN 1.184 nan 8.310 nan 0.000 0.512 1431 H N 2.193 121.315 119.070 0.087 0.000 2.551 1431 H HA 0.300 4.856 4.556 0.000 0.000 0.271 1431 H C 1.201 176.567 175.328 0.062 0.000 0.984 1431 H CA 0.301 56.419 56.048 0.117 0.000 1.164 1431 H CB -0.177 29.685 29.762 0.167 0.000 1.437 1431 H HN 0.438 nan 8.280 nan 0.000 0.550 1432 S N 0.672 116.201 115.700 -0.284 0.000 2.297 1432 S HA 0.030 4.500 4.470 0.000 0.000 0.200 1432 S C 0.846 175.415 174.600 -0.051 0.000 1.011 1432 S CA 0.143 58.240 58.200 -0.171 0.000 0.938 1432 S CB 0.426 63.490 63.200 -0.226 0.000 0.924 1432 S HN 0.465 nan 8.310 nan 0.000 0.504 1433 E N 0.915 121.086 120.200 -0.049 0.000 3.099 1433 E HA 0.306 4.656 4.350 0.000 0.000 0.259 1433 E C -1.258 175.348 176.600 0.011 0.000 1.274 1433 E CA -0.588 55.804 56.400 -0.013 0.000 1.111 1433 E CB 0.284 29.975 29.700 -0.015 0.000 1.327 1433 E HN 0.146 nan 8.360 nan 0.000 0.652 1434 D N 1.053 121.463 120.400 0.018 0.000 2.303 1434 D HA 0.208 4.849 4.640 0.000 0.000 0.236 1434 D C -1.277 175.041 176.300 0.031 0.000 1.068 1434 D CA -0.380 53.641 54.000 0.034 0.000 0.830 1434 D CB 0.983 41.803 40.800 0.033 0.000 1.109 1434 D HN 0.118 nan 8.370 nan 0.000 0.496 1435 D N 1.713 122.140 120.400 0.044 0.000 2.470 1435 D HA 0.104 4.745 4.640 0.000 0.000 0.226 1435 D C -0.210 176.112 176.300 0.037 0.000 1.196 1435 D CA -0.122 53.901 54.000 0.039 0.000 0.979 1435 D CB -0.126 40.703 40.800 0.049 0.000 1.059 1435 D HN 0.196 nan 8.370 nan 0.000 0.515 1436 c N 2.981 121.595 118.600 0.024 0.000 2.350 1436 c HA 0.679 5.249 4.570 0.000 0.000 0.348 1436 c C 0.249 174.348 174.090 0.016 0.000 1.260 1436 c CA -0.846 55.492 56.329 0.015 0.000 1.966 1436 c CB -0.661 41.852 42.510 0.003 0.000 2.380 1436 c HN 0.490 nan 8.230 nan 0.000 0.535 1437 L N 1.670 122.904 121.223 0.018 0.000 2.277 1437 L HA 1.120 5.460 4.340 0.000 0.000 0.254 1437 L C -0.301 176.582 176.870 0.021 0.000 1.044 1437 L CA -0.953 53.908 54.840 0.035 0.000 0.842 1437 L CB 0.870 42.968 42.059 0.065 0.000 1.422 1437 L HN 0.789 nan 8.230 nan 0.000 0.422 1438 A N 0.181 123.034 122.820 0.055 0.000 2.608 1438 A HA 0.902 5.222 4.320 0.000 0.000 0.292 1438 A C -1.657 175.994 177.584 0.111 0.000 1.066 1438 A CA -0.348 51.672 52.037 -0.028 0.000 0.676 1438 A CB 1.364 20.309 19.000 -0.092 0.000 1.277 1438 A HN 1.516 nan 8.150 nan 0.000 0.413 1439 F N -1.000 118.907 119.950 -0.072 0.000 2.665 1439 F HA 0.686 5.213 4.527 0.000 0.000 0.308 1439 F C -0.553 175.207 175.800 -0.067 0.000 1.112 1439 F CA -1.042 56.924 58.000 -0.057 0.000 0.972 1439 F CB 0.940 39.909 39.000 -0.051 0.000 1.295 1439 F HN 0.539 nan 8.300 nan 0.000 0.440 1440 K N 1.653 122.105 120.400 0.087 0.000 2.319 1440 K HA 0.579 4.899 4.320 0.000 0.000 0.265 1440 K C -0.776 175.843 176.600 0.032 0.000 1.000 1440 K CA -0.547 55.715 56.287 -0.041 0.000 0.943 1440 K CB 1.412 33.869 32.500 -0.072 0.000 0.950 1440 K HN 0.681 nan 8.250 nan 0.000 0.485 1441 V N -0.329 119.541 119.914 -0.073 0.000 2.445 1441 V HA 0.263 4.383 4.120 0.000 0.000 0.283 1441 V C -0.442 175.761 176.094 0.182 0.000 1.014 1441 V CA -1.033 61.341 62.300 0.123 0.000 0.852 1441 V CB 0.842 32.733 31.823 0.113 0.000 1.021 1441 V HN 0.666 nan 8.190 nan 0.000 0.435 1442 H N 2.992 122.301 119.070 0.399 0.000 2.546 1442 H HA 0.393 4.949 4.556 0.000 0.000 0.365 1442 H C -0.434 175.071 175.328 0.294 0.000 1.220 1442 H CA -0.161 56.088 56.048 0.335 0.000 1.386 1442 H CB 2.003 31.945 29.762 0.299 0.000 1.510 1442 H HN 0.810 nan 8.280 nan 0.000 0.591 1443 Q N 2.261 122.137 119.800 0.127 0.000 2.466 1443 Q HA 0.070 4.410 4.340 0.000 0.000 0.242 1443 Q C -0.056 175.830 176.000 -0.190 0.000 1.046 1443 Q CA -0.663 54.914 55.803 -0.377 0.000 0.841 1443 Q CB 0.241 28.558 28.738 -0.702 0.000 1.193 1443 Q HN 0.691 nan 8.270 nan 0.000 0.508 1444 Y N 3.068 123.321 120.300 -0.078 0.000 2.420 1444 Y HA 0.238 4.788 4.550 0.000 0.000 0.292 1444 Y C -0.396 175.506 175.900 0.003 0.000 1.119 1444 Y CA -0.227 57.843 58.100 -0.050 0.000 1.229 1444 Y CB 0.252 38.746 38.460 0.057 0.000 1.026 1444 Y HN 0.397 nan 8.280 nan 0.000 0.554 1445 F N 2.320 121.787 119.950 -0.805 0.000 2.529 1445 F HA 0.451 4.978 4.527 0.000 0.000 0.320 1445 F C -0.952 174.572 175.800 -0.460 0.000 1.118 1445 F CA -1.488 56.194 58.000 -0.531 0.000 0.915 1445 F CB 1.089 39.759 39.000 -0.550 0.000 1.161 1445 F HN -0.089 nan 8.300 nan 0.000 0.445 1446 N N 4.912 123.155 118.700 -0.762 0.000 2.421 1446 N HA 0.580 5.320 4.740 0.000 0.000 0.285 1446 N C -1.902 173.351 175.510 -0.429 0.000 1.027 1446 N CA -0.066 52.692 53.050 -0.487 0.000 0.918 1446 N CB 1.901 40.159 38.487 -0.381 0.000 1.152 1446 N HN 0.617 nan 8.380 nan 0.000 0.485 1447 V N 3.065 122.895 119.914 -0.139 0.000 2.924 1447 V HA 0.271 4.391 4.120 0.000 0.000 0.300 1447 V C -0.787 175.321 176.094 0.024 0.000 1.227 1447 V CA -0.865 61.428 62.300 -0.011 0.000 0.954 1447 V CB 1.805 33.735 31.823 0.178 0.000 1.055 1447 V HN 0.817 nan 8.190 nan 0.000 0.429 1448 E N 6.588 126.801 120.200 0.022 0.000 2.404 1448 E HA 0.459 4.809 4.350 0.000 0.000 0.261 1448 E C -0.313 176.330 176.600 0.072 0.000 1.074 1448 E CA -0.310 56.112 56.400 0.037 0.000 0.917 1448 E CB 0.597 30.309 29.700 0.020 0.000 0.965 1448 E HN 0.848 nan 8.360 nan 0.000 0.433 1449 L N 1.179 122.453 121.223 0.085 0.000 3.546 1449 L HA -0.249 4.091 4.340 0.000 0.000 0.668 1449 L C -0.242 176.719 176.870 0.152 0.000 1.139 1449 L CA 0.032 54.940 54.840 0.114 0.000 1.122 1449 L CB -1.893 40.224 42.059 0.097 0.000 1.545 1449 L HN 0.604 nan 8.230 nan 0.000 0.851 1450 I N -1.376 119.300 120.570 0.176 0.000 2.764 1450 I HA 0.470 4.640 4.170 0.000 0.000 0.294 1450 I C 0.501 176.742 176.117 0.207 0.000 1.045 1450 I CA -0.097 61.315 61.300 0.187 0.000 1.340 1450 I CB 0.811 38.927 38.000 0.193 0.000 1.436 1450 I HN 0.400 nan 8.210 nan 0.000 0.567 1451 Q N 4.458 124.366 119.800 0.180 0.000 2.256 1451 Q HA 0.482 4.822 4.340 0.000 0.000 0.254 1451 Q C -2.417 173.633 176.000 0.083 0.000 0.916 1451 Q CA -1.971 53.917 55.803 0.143 0.000 0.932 1451 Q CB 1.153 29.993 28.738 0.169 0.000 1.207 1451 Q HN 0.499 nan 8.270 nan 0.000 0.426 1452 P HA 0.023 nan 4.420 nan 0.000 0.267 1452 P C -0.451 176.752 177.300 -0.161 0.000 1.200 1452 P CA 0.082 63.178 63.100 -0.005 0.000 0.772 1452 P CB 0.670 32.382 31.700 0.021 0.000 0.855 1453 G N 0.730 109.152 108.800 -0.629 0.000 2.535 1453 G HA2 0.637 4.597 3.960 0.000 0.000 0.303 1453 G HA3 0.637 4.597 3.960 0.000 0.000 0.303 1453 G C -1.232 173.462 174.900 -0.344 0.000 1.237 1453 G CA -0.387 44.299 45.100 -0.690 0.000 0.986 1453 G HN 0.650 nan 8.290 nan 0.000 0.494 1454 A N -1.354 121.421 122.820 -0.075 0.000 2.547 1454 A HA 0.651 4.971 4.320 0.000 0.000 0.297 1454 A C -1.350 176.213 177.584 -0.034 0.000 1.056 1454 A CA -0.406 51.523 52.037 -0.180 0.000 0.688 1454 A CB 1.809 20.539 19.000 -0.451 0.000 1.282 1454 A HN 1.177 nan 8.150 nan 0.000 0.400 1455 V N 1.713 121.569 119.914 -0.097 0.000 2.588 1455 V HA 0.641 4.761 4.120 0.000 0.000 0.304 1455 V C -0.126 175.902 176.094 -0.109 0.000 1.042 1455 V CA -0.617 61.652 62.300 -0.052 0.000 0.877 1455 V CB 1.852 33.667 31.823 -0.015 0.000 0.996 1455 V HN 0.926 nan 8.190 nan 0.000 0.425 1456 K N 3.313 123.669 120.400 -0.075 0.000 2.378 1456 K HA 0.832 5.152 4.320 0.000 0.000 0.252 1456 K C -1.315 175.244 176.600 -0.069 0.000 0.931 1456 K CA -0.583 55.671 56.287 -0.054 0.000 0.794 1456 K CB 2.290 34.796 32.500 0.009 0.000 1.181 1456 K HN 0.643 nan 8.250 nan 0.000 0.425 1457 V N 1.273 121.092 119.914 -0.159 0.000 2.735 1457 V HA 0.820 4.940 4.120 0.000 0.000 0.310 1457 V C -1.384 174.394 176.094 -0.528 0.000 1.061 1457 V CA -0.579 61.471 62.300 -0.416 0.000 0.913 1457 V CB 0.817 32.303 31.823 -0.562 0.000 1.005 1457 V HN 0.906 nan 8.190 nan 0.000 0.428 1458 Y N 1.490 121.445 120.300 -0.575 0.000 2.774 1458 Y HA 0.897 5.447 4.550 0.000 0.000 0.346 1458 Y C -0.294 175.528 175.900 -0.129 0.000 1.222 1458 Y CA -0.870 56.998 58.100 -0.387 0.000 1.088 1458 Y CB 0.543 38.873 38.460 -0.218 0.000 1.354 1458 Y HN 1.104 nan 8.280 nan 0.000 0.455 1459 A N 0.948 123.805 122.820 0.062 0.000 2.272 1459 A HA 0.428 4.748 4.320 0.000 0.000 0.275 1459 A C 0.151 177.688 177.584 -0.078 0.000 1.096 1459 A CA -0.077 51.878 52.037 -0.137 0.000 0.822 1459 A CB -0.234 18.362 19.000 -0.673 0.000 1.088 1459 A HN 1.319 nan 8.150 nan 0.000 0.495 1460 Y N -1.019 119.249 120.300 -0.054 0.000 2.516 1460 Y HA -0.029 4.521 4.550 0.000 0.000 0.291 1460 Y C 1.354 177.335 175.900 0.134 0.000 1.131 1460 Y CA 1.387 59.542 58.100 0.090 0.000 1.281 1460 Y CB -0.726 37.810 38.460 0.127 0.000 1.013 1460 Y HN 0.673 nan 8.280 nan 0.000 0.554 1461 Y N -0.481 119.499 120.300 -0.534 0.000 2.522 1461 Y HA 0.333 4.883 4.550 0.000 0.000 0.277 1461 Y C 0.170 176.000 175.900 -0.116 0.000 1.104 1461 Y CA -0.723 57.136 58.100 -0.402 0.000 1.260 1461 Y CB -0.337 37.767 38.460 -0.595 0.000 1.151 1461 Y HN 0.091 nan 8.280 nan 0.000 0.539 1462 N N 1.404 119.832 118.700 -0.453 0.000 2.479 1462 N HA 0.263 5.003 4.740 0.000 0.000 0.261 1462 N C -0.107 175.348 175.510 -0.092 0.000 0.979 1462 N CA -0.251 52.700 53.050 -0.164 0.000 0.930 1462 N CB 1.586 40.005 38.487 -0.114 0.000 1.172 1462 N HN 0.369 nan 8.380 nan 0.000 0.499 1463 L N 3.485 124.661 121.223 -0.077 0.000 2.221 1463 L HA 0.143 4.484 4.340 0.000 0.000 0.202 1463 L C 1.610 178.378 176.870 -0.171 0.000 1.074 1463 L CA 0.834 55.553 54.840 -0.201 0.000 0.795 1463 L CB 0.026 41.947 42.059 -0.230 0.000 0.960 1463 L HN 0.533 nan 8.230 nan 0.000 0.458 1464 E N 0.916 121.067 120.200 -0.082 0.000 2.049 1464 E HA -0.213 4.137 4.350 0.000 0.000 0.198 1464 E C 0.371 176.964 176.600 -0.012 0.000 1.007 1464 E CA 1.180 57.553 56.400 -0.045 0.000 0.809 1464 E CB -0.196 29.495 29.700 -0.015 0.000 0.749 1464 E HN 0.474 nan 8.360 nan 0.000 0.450 1465 E N 0.947 121.164 120.200 0.029 0.000 1.944 1465 E HA 0.194 4.544 4.350 0.000 0.000 0.272 1465 E C -0.538 176.150 176.600 0.145 0.000 1.195 1465 E CA -0.227 56.228 56.400 0.092 0.000 0.926 1465 E CB 0.227 30.001 29.700 0.122 0.000 1.051 1465 E HN 0.147 nan 8.360 nan 0.000 0.404 1466 S N 1.376 117.135 115.700 0.099 0.000 2.705 1466 S HA 0.597 5.067 4.470 0.000 0.000 0.280 1466 S C -1.093 173.538 174.600 0.051 0.000 1.174 1466 S CA -1.011 57.222 58.200 0.054 0.000 0.823 1466 S CB 2.035 65.216 63.200 -0.032 0.000 1.162 1466 S HN 0.449 nan 8.310 nan 0.000 0.487 1467 c N 1.424 120.012 118.600 -0.019 0.000 2.608 1467 c HA 0.830 5.400 4.570 0.000 0.000 0.325 1467 c C -0.917 173.145 174.090 -0.047 0.000 1.147 1467 c CA 0.161 56.496 56.329 0.009 0.000 1.359 1467 c CB 0.547 43.104 42.510 0.079 0.000 1.912 1467 c HN 0.958 nan 8.230 nan 0.000 0.466 1468 T N 6.450 120.973 114.554 -0.053 0.000 2.812 1468 T HA 0.623 4.973 4.350 0.000 0.000 0.282 1468 T C -0.598 173.981 174.700 -0.201 0.000 0.990 1468 T CA -0.555 61.451 62.100 -0.156 0.000 0.960 1468 T CB 0.891 69.641 68.868 -0.196 0.000 0.948 1468 T HN 0.668 nan 8.240 nan 0.000 0.438 1469 R N 1.825 122.175 120.500 -0.249 0.000 2.778 1469 R HA 0.666 5.006 4.340 0.000 0.000 0.277 1469 R C -1.180 174.926 176.300 -0.323 0.000 0.977 1469 R CA -0.874 55.134 56.100 -0.155 0.000 0.950 1469 R CB 1.308 31.606 30.300 -0.004 0.000 1.165 1469 R HN 0.498 nan 8.270 nan 0.000 0.474 1470 F N 1.296 121.290 119.950 0.072 0.000 2.492 1470 F HA 0.457 4.984 4.527 0.000 0.000 0.327 1470 F C -0.011 175.851 175.800 0.103 0.000 1.079 1470 F CA -0.916 57.109 58.000 0.042 0.000 0.967 1470 F CB 1.250 40.238 39.000 -0.019 0.000 1.169 1470 F HN 0.389 nan 8.300 nan 0.000 0.472 1471 Y N 0.081 120.490 120.300 0.181 0.000 2.462 1471 Y HA 0.710 5.260 4.550 0.000 0.000 0.346 1471 Y C -1.323 174.649 175.900 0.120 0.000 0.976 1471 Y CA -1.012 57.145 58.100 0.094 0.000 1.044 1471 Y CB 1.424 39.879 38.460 -0.009 0.000 1.230 1471 Y HN 0.705 nan 8.280 nan 0.000 0.455 1472 H N 4.124 123.237 119.070 0.071 0.000 2.954 1472 H HA 0.296 4.852 4.556 0.000 0.000 0.361 1472 H C -2.544 172.794 175.328 0.016 0.000 1.122 1472 H CA -2.135 53.904 56.048 -0.015 0.000 1.217 1472 H CB 3.176 32.914 29.762 -0.041 0.000 1.776 1472 H HN 0.490 nan 8.280 nan 0.000 0.533 1473 P HA -0.122 nan 4.420 nan 0.000 0.216 1473 P C 0.512 177.837 177.300 0.043 0.000 1.153 1473 P CA 1.546 64.550 63.100 -0.160 0.000 0.858 1473 P CB 0.687 32.227 31.700 -0.268 0.000 0.789 1474 E N -0.919 119.443 120.200 0.270 0.000 2.110 1474 E HA 0.082 4.432 4.350 0.000 0.000 0.194 1474 E C 0.304 177.039 176.600 0.225 0.000 0.944 1474 E CA -0.093 56.459 56.400 0.254 0.000 0.899 1474 E CB -0.170 29.672 29.700 0.236 0.000 0.907 1474 E HN 0.136 nan 8.360 nan 0.000 0.473 1475 K N 2.644 123.159 120.400 0.190 0.000 2.491 1475 K HA -0.042 4.278 4.320 0.000 0.000 0.279 1475 K C 0.059 176.678 176.600 0.031 0.000 1.026 1475 K CA 0.194 56.435 56.287 -0.077 0.000 1.070 1475 K CB 0.345 32.580 32.500 -0.443 0.000 0.887 1475 K HN 0.159 nan 8.250 nan 0.000 0.481 1476 E N 3.001 123.209 120.200 0.013 0.000 2.413 1476 E HA -0.109 4.241 4.350 0.000 0.000 0.263 1476 E C -0.321 176.307 176.600 0.045 0.000 1.015 1476 E CA 0.139 56.560 56.400 0.035 0.000 0.916 1476 E CB 0.332 30.043 29.700 0.019 0.000 0.947 1476 E HN 0.655 nan 8.360 nan 0.000 0.440 1477 D N 2.416 122.862 120.400 0.077 0.000 2.782 1477 D HA -0.254 4.386 4.640 0.000 0.000 0.231 1477 D C 0.688 177.071 176.300 0.138 0.000 1.163 1477 D CA 1.136 55.201 54.000 0.108 0.000 0.680 1477 D CB -1.880 38.975 40.800 0.091 0.000 1.062 1477 D HN 0.904 nan 8.370 nan 0.000 0.425 1478 G N -1.554 107.323 108.800 0.128 0.000 2.233 1478 G HA2 -0.413 3.547 3.960 0.000 0.000 0.270 1478 G HA3 -0.413 3.547 3.960 0.000 0.000 0.270 1478 G C 0.355 175.223 174.900 -0.053 0.000 1.011 1478 G CA 0.691 45.858 45.100 0.112 0.000 0.762 1478 G HN 0.689 nan 8.290 nan 0.000 0.511 1479 K N -0.570 119.778 120.400 -0.086 0.000 2.118 1479 K HA 0.725 5.045 4.320 0.000 0.000 0.264 1479 K C 0.938 177.419 176.600 -0.198 0.000 1.000 1479 K CA -0.534 55.653 56.287 -0.168 0.000 0.929 1479 K CB 0.638 33.082 32.500 -0.093 0.000 1.021 1479 K HN 0.217 nan 8.250 nan 0.000 0.463 1480 L N 2.530 123.631 121.223 -0.204 0.000 2.357 1480 L HA 0.326 4.666 4.340 0.000 0.000 0.273 1480 L C -0.120 176.675 176.870 -0.125 0.000 1.080 1480 L CA -1.013 53.721 54.840 -0.177 0.000 0.803 1480 L CB 0.919 42.878 42.059 -0.166 0.000 1.174 1480 L HN 0.533 nan 8.230 nan 0.000 0.443 1481 N N 3.529 122.162 118.700 -0.113 0.000 2.427 1481 N HA 0.121 4.861 4.740 0.000 0.000 0.269 1481 N C -0.808 174.662 175.510 -0.066 0.000 1.235 1481 N CA 0.188 53.190 53.050 -0.081 0.000 0.934 1481 N CB 0.148 38.591 38.487 -0.073 0.000 1.121 1481 N HN 0.460 nan 8.380 nan 0.000 0.480 1482 K N 0.239 120.604 120.400 -0.058 0.000 2.588 1482 K HA 0.290 4.610 4.320 0.000 0.000 0.250 1482 K C -1.282 175.282 176.600 -0.061 0.000 0.972 1482 K CA -0.956 55.298 56.287 -0.055 0.000 0.821 1482 K CB 1.115 33.592 32.500 -0.039 0.000 1.249 1482 K HN 0.101 nan 8.250 nan 0.000 0.442 1483 L N 3.406 124.554 121.223 -0.125 0.000 2.530 1483 L HA 0.194 4.534 4.340 0.000 0.000 0.273 1483 L C -1.103 175.694 176.870 -0.121 0.000 1.141 1483 L CA 0.378 55.098 54.840 -0.200 0.000 0.905 1483 L CB -0.076 41.700 42.059 -0.471 0.000 1.202 1483 L HN 0.831 nan 8.230 nan 0.000 0.473 1484 c N 5.345 123.971 118.600 0.043 0.000 2.529 1484 c HA 0.804 5.374 4.570 0.000 0.000 0.329 1484 c C 0.048 174.323 174.090 0.308 0.000 1.194 1484 c CA -0.906 55.531 56.329 0.182 0.000 1.779 1484 c CB 1.595 44.178 42.510 0.123 0.000 2.322 1484 c HN 0.901 nan 8.230 nan 0.000 0.500 1485 R N 1.813 122.523 120.500 0.351 0.000 2.603 1485 R HA 0.352 4.692 4.340 0.000 0.000 0.280 1485 R C -0.629 175.747 176.300 0.128 0.000 1.185 1485 R CA -0.131 56.136 56.100 0.278 0.000 1.039 1485 R CB 0.603 31.130 30.300 0.379 0.000 1.247 1485 R HN 0.961 nan 8.270 nan 0.000 0.413 1486 D N 2.491 122.948 120.400 0.095 0.000 4.543 1486 D HA -0.269 4.371 4.640 0.000 0.000 0.195 1486 D C -0.240 176.086 176.300 0.044 0.000 0.625 1486 D CA 2.142 56.170 54.000 0.046 0.000 1.383 1486 D CB -0.292 40.506 40.800 -0.003 0.000 0.867 1486 D HN 0.798 nan 8.370 nan 0.000 0.458 1487 E N -0.267 119.945 120.200 0.021 0.000 3.521 1487 E HA 0.369 4.719 4.350 0.000 0.000 0.183 1487 E C -0.850 175.758 176.600 0.013 0.000 0.981 1487 E CA -0.208 56.201 56.400 0.016 0.000 1.349 1487 E CB 1.015 30.711 29.700 -0.006 0.000 1.102 1487 E HN 0.137 nan 8.360 nan 0.000 0.449 1488 L N 0.994 122.249 121.223 0.053 0.000 2.457 1488 L HA 0.448 4.788 4.340 0.000 0.000 0.266 1488 L C -1.477 175.565 176.870 0.286 0.000 0.979 1488 L CA -0.516 54.374 54.840 0.082 0.000 0.857 1488 L CB 0.996 43.016 42.059 -0.066 0.000 1.213 1488 L HN 0.049 nan 8.230 nan 0.000 0.418 1489 c N 4.522 123.248 118.600 0.211 0.000 2.417 1489 c HA 0.811 5.381 4.570 0.000 0.000 0.324 1489 c C -0.194 173.986 174.090 0.151 0.000 1.240 1489 c CA -0.804 55.642 56.329 0.195 0.000 1.632 1489 c CB 1.535 44.097 42.510 0.086 0.000 2.241 1489 c HN 0.870 nan 8.230 nan 0.000 0.499 1490 R N 1.628 122.179 120.500 0.086 0.000 2.494 1490 R HA 0.619 4.959 4.340 0.000 0.000 0.305 1490 R C -0.622 175.670 176.300 -0.014 0.000 0.959 1490 R CA -0.313 55.815 56.100 0.047 0.000 0.864 1490 R CB 0.661 30.999 30.300 0.063 0.000 1.159 1490 R HN 0.695 nan 8.270 nan 0.000 0.446 1491 c N 3.044 121.653 118.600 0.015 0.000 2.590 1491 c HA 0.294 4.864 4.570 0.000 0.000 0.411 1491 c C 1.269 175.356 174.090 -0.005 0.000 1.420 1491 c CA 0.449 56.783 56.329 0.008 0.000 1.643 1491 c CB -0.836 41.699 42.510 0.041 0.000 2.528 1491 c HN 0.908 nan 8.230 nan 0.000 0.606 1492 A N 5.014 127.816 122.820 -0.030 0.000 2.574 1492 A HA 0.279 4.599 4.320 0.000 0.000 0.283 1492 A C 0.827 178.393 177.584 -0.030 0.000 1.270 1492 A CA 0.044 52.058 52.037 -0.038 0.000 0.945 1492 A CB -0.140 18.823 19.000 -0.062 0.000 1.127 1492 A HN 0.874 nan 8.150 nan 0.000 0.522 1493 E N 2.047 122.236 120.200 -0.017 0.000 2.346 1493 E HA 0.102 4.452 4.350 0.000 0.000 0.317 1493 E C 0.098 176.695 176.600 -0.004 0.000 1.404 1493 E CA 0.236 56.626 56.400 -0.017 0.000 1.534 1493 E CB -0.381 29.310 29.700 -0.016 0.000 1.309 1493 E HN 0.901 nan 8.360 nan 0.000 0.499 1494 E N -0.656 119.534 120.200 -0.017 0.000 2.433 1494 E HA 0.360 4.710 4.350 0.000 0.000 0.264 1494 E C -0.417 176.153 176.600 -0.049 0.000 0.960 1494 E CA -1.003 55.384 56.400 -0.022 0.000 0.866 1494 E CB 0.487 30.179 29.700 -0.013 0.000 1.615 1494 E HN -0.193 nan 8.360 nan 0.000 0.442 1495 N N -0.377 118.281 118.700 -0.070 0.000 2.371 1495 N HA 0.076 4.816 4.740 0.000 0.000 0.243 1495 N C 0.665 176.087 175.510 -0.147 0.000 1.287 1495 N CA -0.259 52.713 53.050 -0.130 0.000 0.911 1495 N CB 0.339 38.730 38.487 -0.160 0.000 1.142 1495 N HN 0.528 nan 8.380 nan 0.000 0.451 1496 c N -0.218 118.229 118.600 -0.254 0.000 2.473 1496 c HA 0.026 4.596 4.570 0.000 0.000 0.279 1496 c C 1.043 175.084 174.090 -0.083 0.000 1.250 1496 c CA 0.701 56.911 56.329 -0.198 0.000 1.713 1496 c CB -1.216 41.119 42.510 -0.290 0.000 2.066 1496 c HN 0.781 nan 8.230 nan 0.000 0.474 1497 F N -2.608 117.278 119.950 -0.106 0.000 3.084 1497 F HA 0.617 5.144 4.527 0.000 0.000 0.336 1497 F C 0.808 176.543 175.800 -0.109 0.000 1.230 1497 F CA -1.142 56.784 58.000 -0.123 0.000 0.993 1497 F CB -0.394 38.485 39.000 -0.202 0.000 1.496 1497 F HN -0.177 nan 8.300 nan 0.000 0.522 1498 I N 0.260 120.954 120.570 0.206 0.000 2.055 1498 I HA -0.146 4.024 4.170 0.000 0.000 0.228 1498 I C 0.987 177.119 176.117 0.025 0.000 1.050 1498 I CA 2.056 63.417 61.300 0.101 0.000 1.326 1498 I CB -0.414 37.671 38.000 0.141 0.000 1.077 1498 I HN 0.785 nan 8.210 nan 0.000 0.392 1499 Q N -0.244 119.584 119.800 0.047 0.000 2.778 1499 Q HA 0.476 4.816 4.340 0.000 0.000 0.395 1499 Q C -1.063 174.947 176.000 0.017 0.000 0.645 1499 Q CA -0.969 54.827 55.803 -0.012 0.000 0.925 1499 Q CB 1.476 30.219 28.738 0.008 0.000 1.101 1499 Q HN 0.055 nan 8.270 nan 0.000 0.445 1504 K N 0.475 120.899 120.400 0.041 0.000 2.502 1504 K HA 0.188 4.508 4.320 0.000 0.000 0.211 1504 K C 0.125 176.758 176.600 0.055 0.000 1.259 1504 K CA 0.399 56.707 56.287 0.036 0.000 0.983 1504 K CB 2.412 34.928 32.500 0.025 0.000 1.054 1504 K HN -0.035 nan 8.250 nan 0.000 0.572 1505 V N 2.143 122.108 119.914 0.086 0.000 5.887 1505 V HA -0.255 3.865 4.120 0.000 0.000 0.167 1505 V C 0.316 176.455 176.094 0.074 0.000 0.718 1505 V CA 0.752 63.126 62.300 0.124 0.000 0.553 1505 V CB -2.937 29.031 31.823 0.242 0.000 0.464 1505 V HN 0.455 nan 8.190 nan 0.000 0.392 1506 T N 0.977 115.559 114.554 0.048 0.000 2.652 1506 T HA 0.441 4.791 4.350 0.000 0.000 0.319 1506 T C 1.200 175.911 174.700 0.018 0.000 1.029 1506 T CA 0.339 62.455 62.100 0.026 0.000 0.990 1506 T CB 1.359 70.239 68.868 0.020 0.000 1.098 1506 T HN 0.688 nan 8.240 nan 0.000 0.520 1507 L N 0.229 121.463 121.223 0.018 0.000 1.994 1507 L HA -0.100 4.240 4.340 0.000 0.000 0.208 1507 L C 2.854 179.754 176.870 0.049 0.000 1.071 1507 L CA 1.800 56.663 54.840 0.039 0.000 0.745 1507 L CB -0.554 41.533 42.059 0.047 0.000 0.892 1507 L HN 0.733 nan 8.230 nan 0.000 0.431 1508 E N -0.088 120.127 120.200 0.026 0.000 2.160 1508 E HA -0.220 4.130 4.350 0.000 0.000 0.195 1508 E C 2.064 178.668 176.600 0.007 0.000 0.991 1508 E CA 0.993 57.401 56.400 0.013 0.000 0.810 1508 E CB -0.126 29.574 29.700 0.000 0.000 0.742 1508 E HN 0.451 nan 8.360 nan 0.000 0.466 1509 E N 0.484 120.690 120.200 0.011 0.000 2.085 1509 E HA -0.164 4.186 4.350 0.000 0.000 0.194 1509 E C 2.058 178.632 176.600 -0.043 0.000 0.994 1509 E CA 1.035 57.442 56.400 0.012 0.000 0.801 1509 E CB -0.182 29.549 29.700 0.051 0.000 0.743 1509 E HN 0.316 nan 8.360 nan 0.000 0.453 1510 R N 0.290 120.735 120.500 -0.093 0.000 2.115 1510 R HA 0.037 4.377 4.340 0.000 0.000 0.226 1510 R C 2.687 178.925 176.300 -0.104 0.000 1.100 1510 R CA 0.504 56.449 56.100 -0.260 0.000 0.980 1510 R CB -0.296 29.684 30.300 -0.533 0.000 0.875 1510 R HN 0.140 nan 8.270 nan 0.000 0.445 1511 L N 0.839 122.110 121.223 0.079 0.000 1.989 1511 L HA -0.230 4.110 4.340 0.000 0.000 0.211 1511 L C 1.681 178.491 176.870 -0.100 0.000 1.071 1511 L CA 1.359 56.222 54.840 0.038 0.000 0.749 1511 L CB -0.508 41.552 42.059 0.002 0.000 0.890 1511 L HN 0.136 nan 8.230 nan 0.000 0.431 1512 D N 0.037 120.385 120.400 -0.086 0.000 2.117 1512 D HA -0.129 4.511 4.640 0.000 0.000 0.198 1512 D C 2.136 178.361 176.300 -0.125 0.000 0.982 1512 D CA 1.100 55.047 54.000 -0.089 0.000 0.828 1512 D CB -0.089 40.685 40.800 -0.043 0.000 0.967 1512 D HN 0.239 nan 8.370 nan 0.000 0.464 1513 K N 0.206 120.518 120.400 -0.146 0.000 2.439 1513 K HA 0.108 4.428 4.320 0.000 0.000 0.197 1513 K C 1.625 177.967 176.600 -0.430 0.000 1.041 1513 K CA 0.663 56.875 56.287 -0.125 0.000 0.970 1513 K CB 0.260 32.780 32.500 0.033 0.000 0.773 1513 K HN 0.028 nan 8.250 nan 0.000 0.479 1514 A N -0.203 122.198 122.820 -0.699 0.000 2.169 1514 A HA 0.015 4.335 4.320 0.000 0.000 0.210 1514 A C 1.551 178.819 177.584 -0.527 0.000 1.168 1514 A CA 0.209 51.614 52.037 -1.054 0.000 0.813 1514 A CB 0.100 18.487 19.000 -1.023 0.000 0.861 1514 A HN 0.303 nan 8.150 nan 0.000 0.481 1515 c N 1.328 119.737 118.600 -0.319 0.000 2.688 1515 c HA 0.257 4.827 4.570 0.000 0.000 0.297 1515 c C 0.574 174.586 174.090 -0.130 0.000 1.308 1515 c CA -0.829 55.382 56.329 -0.197 0.000 1.726 1515 c CB -1.714 40.705 42.510 -0.153 0.000 1.982 1515 c HN 0.508 nan 8.230 nan 0.000 0.604 1516 E N 2.115 122.238 120.200 -0.129 0.000 2.398 1516 E HA 0.040 4.390 4.350 0.000 0.000 0.263 1516 E C -1.495 175.085 176.600 -0.033 0.000 1.046 1516 E CA -0.922 55.444 56.400 -0.056 0.000 0.908 1516 E CB 0.590 30.279 29.700 -0.019 0.000 0.963 1516 E HN 0.141 nan 8.360 nan 0.000 0.431 1517 P HA -0.172 nan 4.420 nan 0.000 0.218 1517 P C 1.153 178.472 177.300 0.031 0.000 1.146 1517 P CA 1.252 64.357 63.100 0.009 0.000 0.813 1517 P CB 0.162 31.871 31.700 0.017 0.000 0.778 1518 G N -0.574 108.251 108.800 0.042 0.000 2.396 1518 G HA2 -0.091 3.869 3.960 0.000 0.000 0.214 1518 G HA3 -0.091 3.869 3.960 0.000 0.000 0.214 1518 G C 0.367 175.316 174.900 0.081 0.000 1.166 1518 G CA 0.028 45.173 45.100 0.074 0.000 0.793 1518 G HN 0.150 nan 8.290 nan 0.000 0.533 1519 V N 1.951 121.889 119.914 0.039 0.000 2.509 1519 V HA 0.051 4.171 4.120 0.000 0.000 0.297 1519 V C 1.128 177.228 176.094 0.009 0.000 1.014 1519 V CA 0.809 63.109 62.300 0.000 0.000 1.127 1519 V CB 1.206 32.939 31.823 -0.151 0.000 0.925 1519 V HN 0.358 nan 8.190 nan 0.000 0.480 1520 D N 3.603 124.044 120.400 0.068 0.000 2.725 1520 D HA 0.055 4.695 4.640 0.000 0.000 0.269 1520 D C 0.275 176.686 176.300 0.185 0.000 1.018 1520 D CA 0.531 54.644 54.000 0.187 0.000 0.956 1520 D CB 0.378 41.422 40.800 0.407 0.000 1.141 1520 D HN 0.585 nan 8.370 nan 0.000 0.478 1521 Y N -0.564 119.805 120.300 0.116 0.000 2.393 1521 Y HA 0.686 5.236 4.550 0.000 0.000 0.341 1521 Y C -1.120 174.648 175.900 -0.220 0.000 0.988 1521 Y CA -1.437 56.589 58.100 -0.124 0.000 1.078 1521 Y CB 1.724 40.181 38.460 -0.006 0.000 1.203 1521 Y HN -0.276 nan 8.280 nan 0.000 0.453 1522 V N 5.335 125.014 119.914 -0.390 0.000 2.398 1522 V HA 0.334 4.454 4.120 0.000 0.000 0.282 1522 V C -1.345 174.658 176.094 -0.152 0.000 1.014 1522 V CA -0.792 61.429 62.300 -0.132 0.000 0.838 1522 V CB -0.180 31.633 31.823 -0.017 0.000 1.018 1522 V HN 0.750 nan 8.190 nan 0.000 0.432 1523 Y N 1.762 122.260 120.300 0.329 0.000 2.549 1523 Y HA 0.581 5.131 4.550 0.000 0.000 0.339 1523 Y C 0.307 176.311 175.900 0.174 0.000 1.053 1523 Y CA -1.595 56.636 58.100 0.220 0.000 1.105 1523 Y CB 1.852 40.424 38.460 0.188 0.000 1.258 1523 Y HN 0.416 nan 8.280 nan 0.000 0.478 1524 K N 2.304 122.849 120.400 0.240 0.000 2.419 1524 K HA 0.353 4.673 4.320 0.000 0.000 0.244 1524 K C -0.824 175.794 176.600 0.030 0.000 1.045 1524 K CA -0.285 56.027 56.287 0.041 0.000 1.004 1524 K CB 0.180 32.522 32.500 -0.265 0.000 1.376 1524 K HN 0.897 nan 8.250 nan 0.000 0.460 1525 T N 0.386 114.988 114.554 0.081 0.000 2.912 1525 T HA 0.423 4.773 4.350 0.000 0.000 0.280 1525 T C -0.195 174.528 174.700 0.040 0.000 0.989 1525 T CA -0.968 61.161 62.100 0.048 0.000 0.995 1525 T CB 1.609 70.484 68.868 0.012 0.000 1.077 1525 T HN 0.520 nan 8.240 nan 0.000 0.531 1526 R N 0.981 121.472 120.500 -0.016 0.000 2.451 1526 R HA 0.417 4.757 4.340 0.000 0.000 0.307 1526 R C -1.148 175.124 176.300 -0.047 0.000 0.965 1526 R CA -0.976 55.043 56.100 -0.136 0.000 0.865 1526 R CB 1.096 31.215 30.300 -0.301 0.000 1.174 1526 R HN 0.622 nan 8.270 nan 0.000 0.455 1527 L N 6.425 127.670 121.223 0.037 0.000 2.678 1527 L HA 0.018 4.358 4.340 0.000 0.000 0.276 1527 L C 0.245 177.129 176.870 0.023 0.000 1.142 1527 L CA 0.687 55.572 54.840 0.073 0.000 0.961 1527 L CB 0.786 42.953 42.059 0.180 0.000 1.291 1527 L HN 0.601 nan 8.230 nan 0.000 0.476 1528 V N 3.999 123.925 119.914 0.020 0.000 2.283 1528 V HA 0.059 4.179 4.120 0.000 0.000 0.239 1528 V C 1.003 177.105 176.094 0.014 0.000 1.035 1528 V CA 0.993 63.297 62.300 0.008 0.000 1.018 1528 V CB -0.420 31.410 31.823 0.013 0.000 0.658 1528 V HN 0.791 nan 8.190 nan 0.000 0.459 1529 K N -0.200 120.212 120.400 0.021 0.000 2.426 1529 K HA 0.594 4.914 4.320 0.000 0.000 0.251 1529 K C -1.863 174.727 176.600 -0.017 0.000 0.941 1529 K CA -0.484 55.805 56.287 0.004 0.000 0.808 1529 K CB 2.533 35.035 32.500 0.004 0.000 1.265 1529 K HN 0.017 nan 8.250 nan 0.000 0.432 1530 V N 4.369 124.249 119.914 -0.057 0.000 2.326 1530 V HA 0.280 4.400 4.120 0.000 0.000 0.281 1530 V C -0.862 175.137 176.094 -0.158 0.000 1.015 1530 V CA -0.692 61.517 62.300 -0.151 0.000 0.823 1530 V CB 1.170 32.901 31.823 -0.154 0.000 1.009 1530 V HN 0.748 nan 8.190 nan 0.000 0.436 1531 Q N 4.594 124.289 119.800 -0.174 0.000 2.316 1531 Q HA 0.681 5.021 4.340 0.000 0.000 0.264 1531 Q C -1.485 174.407 176.000 -0.181 0.000 0.987 1531 Q CA -0.812 54.910 55.803 -0.135 0.000 0.852 1531 Q CB 2.667 31.360 28.738 -0.074 0.000 1.287 1531 Q HN 0.528 nan 8.270 nan 0.000 0.448 1532 L N 2.187 123.314 121.223 -0.159 0.000 2.319 1532 L HA 0.421 4.761 4.340 0.000 0.000 0.281 1532 L C -0.535 176.237 176.870 -0.164 0.000 1.005 1532 L CA -0.162 54.580 54.840 -0.163 0.000 0.828 1532 L CB 1.762 43.741 42.059 -0.133 0.000 1.227 1532 L HN 0.591 nan 8.230 nan 0.000 0.415 1533 S N 1.897 117.456 115.700 -0.235 0.000 2.789 1533 S HA 0.624 5.094 4.470 0.000 0.000 0.286 1533 S C 0.162 174.575 174.600 -0.313 0.000 1.153 1533 S CA -0.846 57.196 58.200 -0.262 0.000 1.084 1533 S CB 1.146 64.165 63.200 -0.301 0.000 1.036 1533 S HN 0.627 nan 8.310 nan 0.000 0.484 1534 N N 2.903 121.491 118.700 -0.186 0.000 1.414 1534 N HA -0.312 4.428 4.740 0.000 0.000 0.142 1534 N C 0.747 176.174 175.510 -0.139 0.000 0.587 1534 N CA 2.497 55.463 53.050 -0.140 0.000 1.068 1534 N CB -1.553 36.863 38.487 -0.118 0.000 1.317 1534 N HN 0.795 nan 8.380 nan 0.000 0.463 1535 D N 2.032 122.354 120.400 -0.130 0.000 2.098 1535 D HA -0.100 4.540 4.640 0.000 0.000 0.207 1535 D C 1.013 177.301 176.300 -0.020 0.000 0.979 1535 D CA 1.502 55.488 54.000 -0.024 0.000 0.878 1535 D CB -1.230 39.641 40.800 0.118 0.000 1.028 1535 D HN 0.596 nan 8.370 nan 0.000 0.452 1536 F N 0.764 120.716 119.950 0.003 0.000 2.427 1536 F HA 0.463 4.990 4.527 0.000 0.000 0.352 1536 F C -0.228 175.574 175.800 0.004 0.000 1.100 1536 F CA -1.479 56.515 58.000 -0.011 0.000 1.191 1536 F CB 0.219 39.215 39.000 -0.005 0.000 1.128 1536 F HN -0.276 nan 8.300 nan 0.000 0.533 1537 D N 2.795 123.257 120.400 0.104 0.000 2.339 1537 D HA 0.248 4.888 4.640 0.000 0.000 0.245 1537 D C -0.502 175.896 176.300 0.163 0.000 1.115 1537 D CA -0.168 53.859 54.000 0.045 0.000 0.917 1537 D CB 0.907 41.761 40.800 0.089 0.000 1.192 1537 D HN 0.675 nan 8.370 nan 0.000 0.428 1538 E N 0.512 120.715 120.200 0.004 0.000 2.234 1538 E HA 0.340 4.690 4.350 0.000 0.000 0.266 1538 E C -1.004 175.529 176.600 -0.112 0.000 0.877 1538 E CA -0.762 55.698 56.400 0.099 0.000 0.758 1538 E CB 1.664 31.432 29.700 0.114 0.000 1.170 1538 E HN 0.324 nan 8.360 nan 0.000 0.415 1539 Y N 1.938 122.332 120.300 0.157 0.000 2.526 1539 Y HA 0.329 4.879 4.550 0.000 0.000 0.328 1539 Y C -0.152 175.845 175.900 0.162 0.000 0.995 1539 Y CA -0.635 57.532 58.100 0.111 0.000 1.304 1539 Y CB 0.701 39.195 38.460 0.057 0.000 1.096 1539 Y HN 0.410 nan 8.280 nan 0.000 0.499 1540 I N 5.308 125.995 120.570 0.195 0.000 2.406 1540 I HA 0.094 4.264 4.170 0.000 0.000 0.293 1540 I C -0.290 175.914 176.117 0.146 0.000 1.101 1540 I CA 0.335 61.740 61.300 0.175 0.000 1.334 1540 I CB 0.027 38.087 38.000 0.101 0.000 1.421 1540 I HN 0.425 nan 8.210 nan 0.000 0.513 1541 M N 5.269 124.980 119.600 0.185 0.000 2.537 1541 M HA 0.579 5.059 4.480 0.000 0.000 0.324 1541 M C -0.136 176.211 176.300 0.077 0.000 1.187 1541 M CA -0.683 54.669 55.300 0.086 0.000 0.993 1541 M CB 1.768 34.347 32.600 -0.034 0.000 1.666 1541 M HN 0.510 nan 8.290 nan 0.000 0.461 1542 A N 3.343 126.179 122.820 0.027 0.000 2.291 1542 A HA 0.669 4.989 4.320 0.000 0.000 0.311 1542 A C -0.224 177.356 177.584 -0.006 0.000 1.224 1542 A CA -0.657 51.385 52.037 0.009 0.000 0.821 1542 A CB 0.185 19.185 19.000 0.000 0.000 1.172 1542 A HN 0.865 nan 8.150 nan 0.000 0.494 1543 I N 3.438 123.986 120.570 -0.037 0.000 2.574 1543 I HA -0.012 4.158 4.170 0.000 0.000 0.291 1543 I C 0.970 177.078 176.117 -0.015 0.000 1.131 1543 I CA -0.081 61.187 61.300 -0.053 0.000 1.352 1543 I CB 0.360 38.247 38.000 -0.188 0.000 1.431 1543 I HN 0.746 nan 8.210 nan 0.000 0.543 1544 E N 5.741 125.942 120.200 0.001 0.000 2.150 1544 E HA -0.141 4.209 4.350 0.000 0.000 0.193 1544 E C 0.339 176.928 176.600 -0.017 0.000 0.985 1544 E CA 0.939 57.331 56.400 -0.014 0.000 0.814 1544 E CB 0.085 29.756 29.700 -0.048 0.000 0.752 1544 E HN 0.802 nan 8.360 nan 0.000 0.466 1545 Q N -0.995 118.813 119.800 0.014 0.000 2.503 1545 Q HA 0.264 4.604 4.340 0.000 0.000 0.268 1545 Q C -1.097 174.999 176.000 0.161 0.000 0.982 1545 Q CA -0.599 55.233 55.803 0.050 0.000 0.907 1545 Q CB 0.850 29.590 28.738 0.004 0.000 1.467 1545 Q HN -0.087 nan 8.270 nan 0.000 0.394 1546 T N 0.343 115.012 114.554 0.193 0.000 3.005 1546 T HA 0.394 4.744 4.350 0.000 0.000 0.323 1546 T C 1.016 175.826 174.700 0.183 0.000 1.131 1546 T CA -0.579 61.720 62.100 0.332 0.000 0.977 1546 T CB -0.280 68.793 68.868 0.342 0.000 1.055 1546 T HN 0.640 nan 8.240 nan 0.000 0.562 1547 I N 1.063 121.723 120.570 0.150 0.000 2.163 1547 I HA -0.041 4.129 4.170 0.000 0.000 0.243 1547 I C 1.486 177.608 176.117 0.007 0.000 1.085 1547 I CA 1.211 62.548 61.300 0.062 0.000 1.347 1547 I CB 0.009 38.061 38.000 0.086 0.000 1.044 1547 I HN 0.512 nan 8.210 nan 0.000 0.408 1548 K N 1.137 121.530 120.400 -0.012 0.000 2.535 1548 K HA 0.276 4.596 4.320 0.000 0.000 0.253 1548 K C -0.798 175.816 176.600 0.022 0.000 0.953 1548 K CA -0.343 55.928 56.287 -0.027 0.000 0.863 1548 K CB 1.401 33.852 32.500 -0.082 0.000 1.111 1548 K HN -0.134 nan 8.250 nan 0.000 0.431 1549 S N 2.700 118.453 115.700 0.088 0.000 2.465 1549 S HA 0.100 4.570 4.470 0.000 0.000 0.307 1549 S C 0.610 175.309 174.600 0.164 0.000 1.187 1549 S CA -0.300 58.000 58.200 0.166 0.000 1.141 1549 S CB 0.646 63.925 63.200 0.132 0.000 1.108 1549 S HN 0.770 nan 8.310 nan 0.000 0.525 1550 G N 2.248 111.200 108.800 0.254 0.000 2.485 1550 G HA2 0.187 4.147 3.960 0.000 0.000 0.260 1550 G HA3 0.187 4.147 3.960 0.000 0.000 0.260 1550 G C 1.084 176.127 174.900 0.240 0.000 1.459 1550 G CA -0.050 45.224 45.100 0.290 0.000 1.060 1550 G HN 0.696 nan 8.290 nan 0.000 0.546 1551 S N -1.391 114.446 115.700 0.228 0.000 2.561 1551 S HA 0.014 4.484 4.470 0.000 0.000 0.225 1551 S C 0.459 175.075 174.600 0.027 0.000 0.977 1551 S CA 0.697 58.933 58.200 0.061 0.000 0.926 1551 S CB 0.104 63.259 63.200 -0.074 0.000 0.769 1551 S HN 0.436 nan 8.310 nan 0.000 0.533 1552 D N 2.629 123.141 120.400 0.186 0.000 2.396 1552 D HA 0.165 4.805 4.640 0.000 0.000 0.225 1552 D C -0.533 175.879 176.300 0.186 0.000 1.121 1552 D CA -0.335 53.773 54.000 0.179 0.000 0.853 1552 D CB 0.660 41.687 40.800 0.378 0.000 1.043 1552 D HN 0.043 nan 8.370 nan 0.000 0.500 1553 E N 2.840 123.097 120.200 0.095 0.000 1.833 1553 E HA 0.086 4.437 4.350 0.000 0.000 0.258 1553 E C -0.488 176.158 176.600 0.077 0.000 1.257 1553 E CA -0.031 56.419 56.400 0.083 0.000 1.003 1553 E CB 0.644 30.369 29.700 0.042 0.000 1.068 1553 E HN 0.172 nan 8.360 nan 0.000 0.422 1554 V N 3.389 123.362 119.914 0.098 0.000 2.531 1554 V HA 0.211 4.331 4.120 0.000 0.000 0.301 1554 V C -0.819 175.295 176.094 0.034 0.000 1.034 1554 V CA -0.771 61.556 62.300 0.046 0.000 0.865 1554 V CB 1.944 33.769 31.823 0.002 0.000 0.995 1554 V HN 0.370 nan 8.190 nan 0.000 0.424 1555 Q N 3.776 123.587 119.800 0.019 0.000 2.260 1555 Q HA 0.541 4.881 4.340 0.000 0.000 0.242 1555 Q C -0.328 175.672 176.000 -0.000 0.000 0.932 1555 Q CA -0.309 55.505 55.803 0.019 0.000 0.891 1555 Q CB 1.780 30.529 28.738 0.018 0.000 1.222 1555 Q HN 0.682 nan 8.270 nan 0.000 0.453 1556 V N 2.043 121.961 119.914 0.008 0.000 2.617 1556 V HA 0.243 4.363 4.120 0.000 0.000 0.304 1556 V C 1.379 177.471 176.094 -0.005 0.000 1.040 1556 V CA 1.971 64.270 62.300 -0.002 0.000 1.149 1556 V CB 0.023 31.852 31.823 0.010 0.000 0.914 1556 V HN 1.034 nan 8.190 nan 0.000 0.487 1557 G N 3.290 112.084 108.800 -0.011 0.000 2.307 1557 G HA2 -0.161 3.799 3.960 0.000 0.000 0.210 1557 G HA3 -0.161 3.799 3.960 0.000 0.000 0.210 1557 G C 0.161 175.058 174.900 -0.005 0.000 1.005 1557 G CA -0.037 45.060 45.100 -0.004 0.000 0.634 1557 G HN 0.624 nan 8.290 nan 0.000 0.496 1558 Q N 0.522 120.315 119.800 -0.012 0.000 2.368 1558 Q HA 0.566 4.906 4.340 0.000 0.000 0.237 1558 Q C -0.062 175.934 176.000 -0.006 0.000 0.987 1558 Q CA 0.195 55.994 55.803 -0.006 0.000 0.896 1558 Q CB 0.574 29.307 28.738 -0.008 0.000 1.241 1558 Q HN 0.523 nan 8.270 nan 0.000 0.485 1559 Q N 1.182 120.992 119.800 0.016 0.000 2.316 1559 Q HA 0.447 4.787 4.340 0.000 0.000 0.264 1559 Q C -0.799 175.240 176.000 0.066 0.000 0.987 1559 Q CA -0.779 55.049 55.803 0.041 0.000 0.852 1559 Q CB 1.691 30.459 28.738 0.050 0.000 1.287 1559 Q HN 0.181 nan 8.270 nan 0.000 0.448 1560 R N 1.076 121.640 120.500 0.107 0.000 2.589 1560 R HA 0.485 4.825 4.340 0.000 0.000 0.293 1560 R C -0.736 175.697 176.300 0.221 0.000 0.963 1560 R CA -0.591 55.592 56.100 0.137 0.000 0.905 1560 R CB 1.899 32.258 30.300 0.098 0.000 1.144 1560 R HN 0.525 nan 8.270 nan 0.000 0.459 1561 T N 3.721 118.368 114.554 0.155 0.000 2.743 1561 T HA 0.426 4.777 4.350 0.000 0.000 0.292 1561 T C -0.211 174.596 174.700 0.178 0.000 0.972 1561 T CA -0.201 62.029 62.100 0.218 0.000 0.967 1561 T CB 0.065 69.034 68.868 0.170 0.000 0.926 1561 T HN 0.153 nan 8.240 nan 0.000 0.459 1562 F N 2.569 122.641 119.950 0.203 0.000 2.378 1562 F HA 0.640 5.167 4.527 0.000 0.000 0.325 1562 F C 0.561 176.511 175.800 0.250 0.000 1.097 1562 F CA -1.331 56.788 58.000 0.198 0.000 1.079 1562 F CB 0.887 39.959 39.000 0.119 0.000 1.240 1562 F HN 0.324 nan 8.300 nan 0.000 0.519 1563 I N 1.231 122.000 120.570 0.332 0.000 2.533 1563 I HA 0.421 4.591 4.170 0.000 0.000 0.290 1563 I C -0.756 175.468 176.117 0.178 0.000 1.056 1563 I CA -0.490 60.969 61.300 0.265 0.000 1.057 1563 I CB 2.170 40.233 38.000 0.104 0.000 1.240 1563 I HN 0.464 nan 8.210 nan 0.000 0.423 1564 S N 6.215 122.043 115.700 0.213 0.000 2.536 1564 S HA 0.635 5.105 4.470 0.000 0.000 0.271 1564 S C -2.780 171.889 174.600 0.115 0.000 1.134 1564 S CA -1.193 57.073 58.200 0.110 0.000 0.897 1564 S CB 2.071 65.277 63.200 0.010 0.000 1.094 1564 S HN 0.211 nan 8.310 nan 0.000 0.473 1565 P HA 0.198 nan 4.420 nan 0.000 0.270 1565 P C 0.572 177.900 177.300 0.047 0.000 1.227 1565 P CA -0.225 62.891 63.100 0.027 0.000 0.788 1565 P CB 0.298 31.995 31.700 -0.005 0.000 0.926 1566 I N 1.010 121.597 120.570 0.028 0.000 2.439 1566 I HA -0.220 3.950 4.170 0.000 0.000 0.251 1566 I C 2.196 178.326 176.117 0.023 0.000 1.139 1566 I CA 1.486 62.803 61.300 0.030 0.000 1.438 1566 I CB -0.985 37.020 38.000 0.009 0.000 1.085 1566 I HN 0.428 nan 8.210 nan 0.000 0.427 1567 K N 0.182 120.585 120.400 0.005 0.000 2.211 1567 K HA -0.132 4.188 4.320 0.000 0.000 0.204 1567 K C 1.665 178.263 176.600 -0.003 0.000 1.047 1567 K CA 1.723 58.007 56.287 -0.005 0.000 0.935 1567 K CB -0.798 31.689 32.500 -0.021 0.000 0.728 1567 K HN 0.340 nan 8.250 nan 0.000 0.452 1568 c N 0.845 119.450 118.600 0.009 0.000 2.696 1568 c HA 0.260 4.830 4.570 0.000 0.000 0.264 1568 c C 2.384 176.508 174.090 0.057 0.000 1.288 1568 c CA -0.559 55.781 56.329 0.020 0.000 1.717 1568 c CB -0.975 41.548 42.510 0.022 0.000 1.893 1568 c HN 0.530 nan 8.230 nan 0.000 0.577 1569 R N 1.866 122.407 120.500 0.068 0.000 2.120 1569 R HA -0.168 4.172 4.340 0.000 0.000 0.234 1569 R C 2.075 178.416 176.300 0.069 0.000 1.123 1569 R CA 1.538 57.698 56.100 0.100 0.000 0.975 1569 R CB -0.187 30.174 30.300 0.101 0.000 0.866 1569 R HN 0.664 nan 8.270 nan 0.000 0.446 1570 E N -0.616 119.611 120.200 0.045 0.000 2.158 1570 E HA -0.096 4.254 4.350 0.000 0.000 0.191 1570 E C 1.524 178.147 176.600 0.038 0.000 0.982 1570 E CA 0.840 57.259 56.400 0.033 0.000 0.823 1570 E CB 0.058 29.768 29.700 0.018 0.000 0.766 1570 E HN 0.459 nan 8.360 nan 0.000 0.468 1571 A N 0.590 123.443 122.820 0.056 0.000 2.021 1571 A HA 0.031 4.351 4.320 0.000 0.000 0.216 1571 A C 2.037 179.707 177.584 0.143 0.000 1.163 1571 A CA 0.345 52.444 52.037 0.103 0.000 0.676 1571 A CB -0.232 18.824 19.000 0.095 0.000 0.818 1571 A HN 0.247 nan 8.150 nan 0.000 0.453 1572 L N -0.805 120.472 121.223 0.089 0.000 2.131 1572 L HA -0.106 4.234 4.340 0.000 0.000 0.206 1572 L C 1.046 177.875 176.870 -0.068 0.000 1.087 1572 L CA 1.093 55.897 54.840 -0.060 0.000 0.767 1572 L CB -0.419 41.555 42.059 -0.142 0.000 0.917 1572 L HN 0.541 nan 8.230 nan 0.000 0.441 1573 K N 0.507 120.909 120.400 0.003 0.000 3.264 1573 K HA -0.219 4.101 4.320 0.000 0.000 0.267 1573 K C -0.615 176.008 176.600 0.037 0.000 0.886 1573 K CA 0.977 57.278 56.287 0.024 0.000 0.665 1573 K CB -2.802 29.709 32.500 0.018 0.000 1.447 1573 K HN 0.276 nan 8.250 nan 0.000 0.464 1574 L N 1.096 122.331 121.223 0.019 0.000 2.360 1574 L HA 0.185 4.525 4.340 0.000 0.000 0.276 1574 L C 0.679 177.635 176.870 0.144 0.000 1.121 1574 L CA 0.044 54.901 54.840 0.029 0.000 0.845 1574 L CB 0.479 42.448 42.059 -0.150 0.000 1.143 1574 L HN 0.319 nan 8.230 nan 0.000 0.452 1575 E N 2.956 123.298 120.200 0.237 0.000 2.191 1575 E HA 0.295 4.645 4.350 0.000 0.000 0.274 1575 E C -0.703 176.001 176.600 0.173 0.000 0.948 1575 E CA -0.778 55.721 56.400 0.165 0.000 0.802 1575 E CB 1.771 31.549 29.700 0.130 0.000 1.137 1575 E HN 0.511 nan 8.360 nan 0.000 0.397 1576 E N 1.542 121.800 120.200 0.098 0.000 2.425 1576 E HA -0.028 4.322 4.350 0.000 0.000 0.258 1576 E C -0.279 176.341 176.600 0.034 0.000 1.151 1576 E CA 0.100 56.539 56.400 0.066 0.000 0.958 1576 E CB 0.353 30.072 29.700 0.032 0.000 0.968 1576 E HN 0.405 nan 8.360 nan 0.000 0.451 1577 K N -0.045 120.347 120.400 -0.013 0.000 3.088 1577 K HA -0.239 4.081 4.320 0.000 0.000 0.273 1577 K C -0.678 175.842 176.600 -0.134 0.000 1.111 1577 K CA 0.920 57.163 56.287 -0.073 0.000 0.803 1577 K CB -1.082 31.399 32.500 -0.031 0.000 1.226 1577 K HN 0.367 nan 8.250 nan 0.000 0.485 1578 K N 0.445 120.760 120.400 -0.142 0.000 2.328 1578 K HA 0.372 4.692 4.320 0.000 0.000 0.246 1578 K C -0.336 175.965 176.600 -0.498 0.000 0.955 1578 K CA -0.908 55.222 56.287 -0.261 0.000 0.817 1578 K CB 1.442 33.853 32.500 -0.147 0.000 1.208 1578 K HN 0.085 nan 8.250 nan 0.000 0.432 1579 H N 1.338 120.138 119.070 -0.451 0.000 2.481 1579 H HA 0.289 4.845 4.556 0.000 0.000 0.339 1579 H C -0.889 174.059 175.328 -0.633 0.000 1.131 1579 H CA -0.013 55.800 56.048 -0.393 0.000 1.301 1579 H CB 0.893 30.469 29.762 -0.310 0.000 1.476 1579 H HN 0.450 nan 8.280 nan 0.000 0.529 1580 Y N 0.674 121.008 120.300 0.057 0.000 2.504 1580 Y HA 0.157 4.707 4.550 0.000 0.000 0.344 1580 Y C -0.569 175.415 175.900 0.139 0.000 1.023 1580 Y CA -0.946 57.195 58.100 0.067 0.000 1.020 1580 Y CB 1.785 40.211 38.460 -0.056 0.000 1.282 1580 Y HN 0.370 nan 8.280 nan 0.000 0.454 1581 L N 6.059 127.537 121.223 0.426 0.000 2.262 1581 L HA 0.676 5.016 4.340 0.000 0.000 0.288 1581 L C -0.743 176.315 176.870 0.313 0.000 1.035 1581 L CA -0.626 54.476 54.840 0.436 0.000 0.820 1581 L CB 0.195 42.628 42.059 0.624 0.000 1.204 1581 L HN 0.662 nan 8.230 nan 0.000 0.424 1582 M N 4.199 123.956 119.600 0.261 0.000 2.386 1582 M HA 0.724 5.204 4.480 0.000 0.000 0.293 1582 M C -1.867 174.574 176.300 0.234 0.000 1.120 1582 M CA -0.634 54.747 55.300 0.135 0.000 0.909 1582 M CB 1.958 34.563 32.600 0.008 0.000 1.661 1582 M HN 0.634 nan 8.290 nan 0.000 0.452 1583 W N 1.324 122.673 121.300 0.083 0.000 3.022 1583 W HA 0.944 5.604 4.660 0.000 0.000 0.335 1583 W C -1.222 175.084 176.519 -0.355 0.000 1.133 1583 W CA -0.730 56.453 57.345 -0.271 0.000 1.219 1583 W CB 0.820 30.143 29.460 -0.227 0.000 1.409 1583 W HN 0.975 nan 8.180 nan 0.000 0.507 1584 G N 1.884 110.228 108.800 -0.759 0.000 3.015 1584 G HA2 0.743 4.703 3.960 0.000 0.000 0.281 1584 G HA3 0.743 4.703 3.960 0.000 0.000 0.281 1584 G C -1.479 173.346 174.900 -0.125 0.000 1.386 1584 G CA -1.358 43.582 45.100 -0.267 0.000 0.959 1584 G HN 0.710 nan 8.290 nan 0.000 0.522 1585 L N 0.239 121.550 121.223 0.147 0.000 2.439 1585 L HA 0.273 4.613 4.340 0.000 0.000 0.259 1585 L C 1.928 179.007 176.870 0.348 0.000 1.129 1585 L CA -0.382 54.582 54.840 0.206 0.000 0.803 1585 L CB 1.725 43.894 42.059 0.184 0.000 1.161 1585 L HN 0.694 nan 8.230 nan 0.000 0.462 1586 S N -1.817 114.107 115.700 0.373 0.000 2.561 1586 S HA -0.083 4.387 4.470 0.000 0.000 0.225 1586 S C 1.201 176.113 174.600 0.521 0.000 0.977 1586 S CA 0.470 59.008 58.200 0.563 0.000 0.926 1586 S CB -0.284 63.125 63.200 0.349 0.000 0.769 1586 S HN 0.724 nan 8.310 nan 0.000 0.533 1587 S N 0.170 116.072 115.700 0.337 0.000 2.614 1587 S HA 0.281 4.751 4.470 0.000 0.000 0.230 1587 S C -0.081 174.670 174.600 0.252 0.000 0.952 1587 S CA -0.478 57.883 58.200 0.269 0.000 0.949 1587 S CB -0.013 63.297 63.200 0.183 0.000 0.786 1587 S HN 0.279 nan 8.310 nan 0.000 0.478 1588 D N 0.844 121.388 120.400 0.240 0.000 2.424 1588 D HA 0.352 4.992 4.640 0.000 0.000 0.220 1588 D C -0.604 175.674 176.300 -0.037 0.000 1.150 1588 D CA -0.294 53.777 54.000 0.118 0.000 0.831 1588 D CB -0.023 40.862 40.800 0.143 0.000 0.981 1588 D HN 0.353 nan 8.370 nan 0.000 0.500 1589 F N 0.262 120.249 119.950 0.063 0.000 2.371 1589 F HA 0.369 4.896 4.527 0.000 0.000 0.329 1589 F C 0.459 176.329 175.800 0.116 0.000 1.107 1589 F CA -0.558 57.406 58.000 -0.059 0.000 1.137 1589 F CB 1.168 40.083 39.000 -0.141 0.000 1.214 1589 F HN -0.095 nan 8.300 nan 0.000 0.536 1590 W N 2.884 124.170 121.300 -0.024 0.000 2.835 1590 W HA 0.469 5.129 4.660 0.000 0.000 0.326 1590 W C -0.573 175.886 176.519 -0.099 0.000 1.024 1590 W CA -0.505 56.801 57.345 -0.066 0.000 1.267 1590 W CB 1.488 30.888 29.460 -0.101 0.000 1.267 1590 W HN 0.817 nan 8.180 nan 0.000 0.412 1591 G N 3.295 111.820 108.800 -0.458 0.000 2.440 1591 G HA2 -0.117 3.844 3.960 0.000 0.000 0.684 1591 G HA3 -0.117 3.844 3.960 0.000 0.000 0.684 1591 G C -1.379 173.374 174.900 -0.245 0.000 1.309 1591 G CA -1.082 43.783 45.100 -0.391 0.000 0.931 1591 G HN 0.247 nan 8.290 nan 0.000 0.612 1592 E N 0.766 120.842 120.200 -0.207 0.000 2.249 1592 E HA 0.334 4.684 4.350 0.000 0.000 0.280 1592 E C 0.545 177.075 176.600 -0.118 0.000 1.016 1592 E CA -0.476 55.831 56.400 -0.155 0.000 0.830 1592 E CB 1.400 31.017 29.700 -0.138 0.000 1.081 1592 E HN 0.525 nan 8.360 nan 0.000 0.395 1593 K N 2.445 122.780 120.400 -0.110 0.000 2.380 1593 K HA 0.061 4.381 4.320 0.000 0.000 0.267 1593 K C -1.554 175.007 176.600 -0.066 0.000 0.990 1593 K CA -1.033 55.203 56.287 -0.086 0.000 0.946 1593 K CB 0.061 32.506 32.500 -0.092 0.000 0.937 1593 K HN 0.178 nan 8.250 nan 0.000 0.491 1594 P HA 0.048 nan 4.420 nan 0.000 0.253 1594 P C -0.829 176.450 177.300 -0.035 0.000 1.260 1594 P CA 0.322 63.398 63.100 -0.039 0.000 0.800 1594 P CB 0.198 31.884 31.700 -0.023 0.000 1.162 1595 N N 0.690 119.361 118.700 -0.047 0.000 3.303 1595 N HA 0.120 4.860 4.740 0.000 0.000 0.304 1595 N C -0.123 175.351 175.510 -0.061 0.000 1.302 1595 N CA 0.137 53.161 53.050 -0.044 0.000 1.213 1595 N CB -0.396 38.063 38.487 -0.048 0.000 1.481 1595 N HN 0.235 nan 8.380 nan 0.000 0.546 1596 L N 0.002 121.192 121.223 -0.055 0.000 2.418 1596 L HA 0.360 4.700 4.340 0.000 0.000 0.265 1596 L C 0.324 177.143 176.870 -0.085 0.000 1.143 1596 L CA -0.141 54.655 54.840 -0.073 0.000 0.809 1596 L CB 0.835 42.851 42.059 -0.072 0.000 1.124 1596 L HN 0.075 nan 8.230 nan 0.000 0.456 1597 S N 0.762 116.399 115.700 -0.105 0.000 2.776 1597 S HA 0.405 4.875 4.470 0.000 0.000 0.284 1597 S C -0.918 173.550 174.600 -0.219 0.000 1.160 1597 S CA -0.652 57.492 58.200 -0.093 0.000 1.051 1597 S CB 0.683 63.906 63.200 0.039 0.000 1.037 1597 S HN 0.224 nan 8.310 nan 0.000 0.485 1598 Y N 2.427 122.418 120.300 -0.514 0.000 2.578 1598 Y HA 0.232 4.782 4.550 0.000 0.000 0.339 1598 Y C 0.687 176.387 175.900 -0.334 0.000 1.231 1598 Y CA -0.192 57.487 58.100 -0.701 0.000 1.461 1598 Y CB 0.370 37.950 38.460 -1.467 0.000 1.323 1598 Y HN 0.404 nan 8.280 nan 0.000 0.590 1599 I N 4.437 124.999 120.570 -0.012 0.000 2.406 1599 I HA 0.217 4.387 4.170 0.000 0.000 0.290 1599 I C -0.163 176.049 176.117 0.160 0.000 0.999 1599 I CA -0.985 60.349 61.300 0.058 0.000 1.124 1599 I CB 1.458 39.452 38.000 -0.010 0.000 1.289 1599 I HN 0.545 nan 8.210 nan 0.000 0.441 1600 I N 5.989 126.654 120.570 0.158 0.000 2.227 1600 I HA 0.181 4.351 4.170 0.000 0.000 0.297 1600 I C 1.178 177.345 176.117 0.085 0.000 1.173 1600 I CA -0.017 61.363 61.300 0.133 0.000 1.356 1600 I CB -0.089 37.933 38.000 0.037 0.000 1.485 1600 I HN 0.646 nan 8.210 nan 0.000 0.604 1601 G N 4.011 112.869 108.800 0.096 0.000 2.543 1601 G HA2 0.170 4.130 3.960 0.000 0.000 0.290 1601 G HA3 0.170 4.130 3.960 0.000 0.000 0.290 1601 G C 0.905 175.845 174.900 0.067 0.000 1.310 1601 G CA -0.598 44.541 45.100 0.066 0.000 1.025 1601 G HN 0.721 nan 8.290 nan 0.000 0.502 1602 K N -1.331 119.092 120.400 0.038 0.000 2.515 1602 K HA 0.032 4.352 4.320 0.000 0.000 0.196 1602 K C -0.186 176.447 176.600 0.055 0.000 1.038 1602 K CA 1.174 57.471 56.287 0.016 0.000 0.967 1602 K CB 0.273 32.765 32.500 -0.014 0.000 0.780 1602 K HN 0.172 nan 8.250 nan 0.000 0.483 1603 D N 1.129 121.581 120.400 0.087 0.000 2.593 1603 D HA 0.080 4.720 4.640 0.000 0.000 0.241 1603 D C -0.828 175.554 176.300 0.136 0.000 1.257 1603 D CA 0.006 54.077 54.000 0.119 0.000 0.828 1603 D CB 1.168 42.039 40.800 0.119 0.000 1.049 1603 D HN 0.018 nan 8.370 nan 0.000 0.490 1604 T N 0.876 115.497 114.554 0.111 0.000 2.772 1604 T HA 0.102 4.452 4.350 0.000 0.000 0.288 1604 T C -0.348 174.319 174.700 -0.055 0.000 0.994 1604 T CA -0.694 61.445 62.100 0.065 0.000 0.951 1604 T CB 1.420 70.355 68.868 0.112 0.000 0.933 1604 T HN 0.120 nan 8.240 nan 0.000 0.447 1605 W N 4.990 125.987 121.300 -0.504 0.000 2.238 1605 W HA 0.489 5.149 4.660 0.000 0.000 0.321 1605 W C -1.535 174.587 176.519 -0.661 0.000 1.293 1605 W CA -0.391 56.473 57.345 -0.802 0.000 1.204 1605 W CB 0.502 28.791 29.460 -1.951 0.000 1.167 1605 W HN 0.284 nan 8.180 nan 0.000 0.553 1606 V N 5.917 125.252 119.914 -0.966 0.000 2.612 1606 V HA 0.242 4.362 4.120 0.000 0.000 0.301 1606 V C -0.677 174.983 176.094 -0.723 0.000 1.059 1606 V CA -0.814 61.060 62.300 -0.710 0.000 0.886 1606 V CB 1.756 33.102 31.823 -0.795 0.000 1.007 1606 V HN 0.548 nan 8.190 nan 0.000 0.426 1607 E N 2.539 122.596 120.200 -0.239 0.000 2.292 1607 E HA 0.440 4.790 4.350 0.000 0.000 0.272 1607 E C -1.276 175.465 176.600 0.234 0.000 0.881 1607 E CA -0.865 55.508 56.400 -0.046 0.000 0.754 1607 E CB 1.882 31.666 29.700 0.139 0.000 1.201 1607 E HN 0.873 nan 8.360 nan 0.000 0.425 1608 H N 4.013 123.158 119.070 0.125 0.000 2.848 1608 H HA 0.066 4.622 4.556 0.000 0.000 0.317 1608 H C -1.189 174.167 175.328 0.047 0.000 1.046 1608 H CA -0.022 56.073 56.048 0.078 0.000 1.470 1608 H CB 0.543 30.320 29.762 0.025 0.000 1.483 1608 H HN 0.351 nan 8.280 nan 0.000 0.548 1609 W N 9.243 130.153 121.300 -0.651 0.000 2.283 1609 W HA 0.279 4.939 4.660 0.000 0.000 0.317 1609 W C -2.782 173.446 176.519 -0.485 0.000 1.042 1609 W CA -3.036 54.080 57.345 -0.382 0.000 1.348 1609 W CB 0.743 30.077 29.460 -0.210 0.000 1.216 1609 W HN 0.632 nan 8.180 nan 0.000 0.404 1610 P HA -0.083 nan 4.420 nan 0.000 0.261 1610 P C 0.139 177.522 177.300 0.138 0.000 1.183 1610 P CA 0.829 63.949 63.100 0.033 0.000 0.761 1610 P CB 0.615 32.316 31.700 0.000 0.000 0.785 1611 E N 1.988 122.266 120.200 0.129 0.000 2.416 1611 E HA -0.102 4.248 4.350 0.000 0.000 0.254 1611 E C 1.239 177.889 176.600 0.084 0.000 1.241 1611 E CA -0.266 56.201 56.400 0.112 0.000 0.969 1611 E CB 0.484 30.257 29.700 0.122 0.000 0.999 1611 E HN 0.345 nan 8.360 nan 0.000 0.481 1612 E N 0.962 121.191 120.200 0.049 0.000 2.013 1612 E HA -0.272 4.078 4.350 0.000 0.000 0.202 1612 E C 1.296 177.921 176.600 0.042 0.000 1.018 1612 E CA 2.517 58.943 56.400 0.044 0.000 0.834 1612 E CB -0.265 29.448 29.700 0.022 0.000 0.770 1612 E HN 0.647 nan 8.360 nan 0.000 0.459 1613 D N -0.176 120.247 120.400 0.039 0.000 2.350 1613 D HA -0.160 4.480 4.640 0.000 0.000 0.216 1613 D C 1.197 177.518 176.300 0.034 0.000 0.968 1613 D CA 0.974 54.994 54.000 0.033 0.000 0.894 1613 D CB -0.411 40.407 40.800 0.031 0.000 0.909 1613 D HN 0.469 nan 8.370 nan 0.000 0.520 1614 E N -0.703 119.523 120.200 0.044 0.000 2.385 1614 E HA 0.050 4.400 4.350 0.000 0.000 0.194 1614 E C 0.752 177.371 176.600 0.031 0.000 1.013 1614 E CA 0.131 56.557 56.400 0.044 0.000 0.866 1614 E CB 0.088 29.829 29.700 0.069 0.000 0.832 1614 E HN 0.257 nan 8.360 nan 0.000 0.500 1615 c N 2.074 120.691 118.600 0.028 0.000 2.379 1615 c HA 0.112 4.682 4.570 0.000 0.000 0.346 1615 c C 1.309 175.404 174.090 0.008 0.000 1.305 1615 c CA -0.039 56.296 56.329 0.010 0.000 1.657 1615 c CB -1.021 41.495 42.510 0.011 0.000 1.739 1615 c HN 0.335 nan 8.230 nan 0.000 0.594 1616 Q N -0.236 119.571 119.800 0.012 0.000 2.214 1616 Q HA 0.148 4.488 4.340 0.000 0.000 0.229 1616 Q C -0.333 175.670 176.000 0.006 0.000 0.835 1616 Q CA 0.324 56.132 55.803 0.009 0.000 0.953 1616 Q CB 0.316 29.062 28.738 0.013 0.000 1.131 1616 Q HN 0.586 nan 8.270 nan 0.000 0.501 1617 D N 2.074 122.477 120.400 0.006 0.000 2.341 1617 D HA -0.014 4.626 4.640 0.000 0.000 0.245 1617 D C 0.913 177.212 176.300 -0.002 0.000 1.106 1617 D CA 0.005 54.006 54.000 0.003 0.000 0.905 1617 D CB 0.746 41.549 40.800 0.004 0.000 1.202 1617 D HN 0.184 nan 8.370 nan 0.000 0.426 1618 E N 0.112 120.311 120.200 -0.002 0.000 2.357 1618 E HA -0.055 4.295 4.350 0.000 0.000 0.194 1618 E C 0.039 176.635 176.600 -0.007 0.000 1.177 1618 E CA 0.615 57.013 56.400 -0.004 0.000 0.998 1618 E CB -0.113 29.585 29.700 -0.003 0.000 1.106 1618 E HN 0.479 nan 8.360 nan 0.000 0.470 1619 E N -0.276 119.919 120.200 -0.009 0.000 2.535 1619 E HA 0.096 4.446 4.350 0.000 0.000 0.216 1619 E C 0.804 177.394 176.600 -0.016 0.000 0.845 1619 E CA -0.070 56.323 56.400 -0.012 0.000 1.306 1619 E CB 0.428 30.121 29.700 -0.011 0.000 1.291 1619 E HN 0.130 nan 8.360 nan 0.000 0.635 1620 N N 0.756 119.446 118.700 -0.016 0.000 2.250 1620 N HA 0.039 4.779 4.740 0.000 0.000 0.190 1620 N C 1.326 176.813 175.510 -0.038 0.000 1.116 1620 N CA 0.260 53.294 53.050 -0.026 0.000 0.881 1620 N CB 0.359 38.837 38.487 -0.014 0.000 1.006 1620 N HN 0.107 nan 8.380 nan 0.000 0.491 1621 Q N 0.502 120.286 119.800 -0.026 0.000 2.135 1621 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 1621 Q C 1.515 177.495 176.000 -0.033 0.000 0.981 1621 Q CA 1.321 57.109 55.803 -0.025 0.000 0.856 1621 Q CB 0.024 28.754 28.738 -0.013 0.000 0.902 1621 Q HN 0.070 nan 8.270 nan 0.000 0.425 1622 K N 0.888 121.269 120.400 -0.031 0.000 2.217 1622 K HA -0.148 4.172 4.320 0.000 0.000 0.202 1622 K C 1.798 178.369 176.600 -0.049 0.000 1.051 1622 K CA 1.190 57.458 56.287 -0.031 0.000 0.952 1622 K CB 0.083 32.570 32.500 -0.022 0.000 0.736 1622 K HN 0.180 nan 8.250 nan 0.000 0.453 1623 Q N -1.049 118.710 119.800 -0.069 0.000 2.134 1623 Q HA -0.055 4.285 4.340 0.000 0.000 0.195 1623 Q C 1.875 177.767 176.000 -0.181 0.000 0.958 1623 Q CA 1.279 57.016 55.803 -0.110 0.000 0.840 1623 Q CB -0.072 28.601 28.738 -0.108 0.000 0.918 1623 Q HN 0.372 nan 8.270 nan 0.000 0.467 1624 c N 1.202 119.696 118.600 -0.176 0.000 2.425 1624 c HA -0.111 4.459 4.570 0.000 0.000 0.277 1624 c C 2.564 176.572 174.090 -0.135 0.000 1.280 1624 c CA 0.807 57.006 56.329 -0.217 0.000 1.744 1624 c CB -0.836 41.598 42.510 -0.127 0.000 1.989 1624 c HN 0.598 nan 8.230 nan 0.000 0.491 1625 Q N 0.605 120.360 119.800 -0.075 0.000 2.124 1625 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 1625 Q C 1.672 177.658 176.000 -0.023 0.000 0.977 1625 Q CA 1.561 57.346 55.803 -0.031 0.000 0.850 1625 Q CB -0.195 28.532 28.738 -0.017 0.000 0.901 1625 Q HN 0.660 nan 8.270 nan 0.000 0.429 1626 D N 0.656 121.026 120.400 -0.049 0.000 2.084 1626 D HA -0.117 4.523 4.640 0.000 0.000 0.196 1626 D C 1.971 178.266 176.300 -0.009 0.000 0.985 1626 D CA 0.937 54.922 54.000 -0.025 0.000 0.826 1626 D CB -0.260 40.511 40.800 -0.048 0.000 0.978 1626 D HN 0.169 nan 8.370 nan 0.000 0.456 1627 L N 0.595 121.731 121.223 -0.145 0.000 2.042 1627 L HA -0.081 4.259 4.340 0.000 0.000 0.210 1627 L C 2.561 179.490 176.870 0.099 0.000 1.076 1627 L CA 1.434 56.156 54.840 -0.196 0.000 0.749 1627 L CB -0.907 40.606 42.059 -0.910 0.000 0.893 1627 L HN 0.101 nan 8.230 nan 0.000 0.432 1628 G N -0.166 108.668 108.800 0.057 0.000 2.459 1628 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 1628 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 1628 G C 1.762 176.762 174.900 0.165 0.000 1.183 1628 G CA 0.898 46.096 45.100 0.163 0.000 0.776 1628 G HN 0.470 nan 8.290 nan 0.000 0.552 1629 A N 0.103 122.997 122.820 0.123 0.000 1.972 1629 A HA 0.085 4.405 4.320 0.000 0.000 0.219 1629 A C 2.161 179.826 177.584 0.135 0.000 1.169 1629 A CA 1.577 53.679 52.037 0.108 0.000 0.635 1629 A CB -0.515 18.530 19.000 0.075 0.000 0.810 1629 A HN 0.432 nan 8.150 nan 0.000 0.446 1630 F N 1.370 121.342 119.950 0.036 0.000 2.069 1630 F HA -0.177 4.350 4.527 0.000 0.000 0.298 1630 F C 2.464 178.307 175.800 0.071 0.000 1.113 1630 F CA 2.405 60.425 58.000 0.033 0.000 1.214 1630 F CB -0.720 38.297 39.000 0.027 0.000 0.978 1630 F HN 0.204 nan 8.300 nan 0.000 0.474 1631 T N 0.362 115.043 114.554 0.213 0.000 2.652 1631 T HA -0.220 4.130 4.350 0.000 0.000 0.267 1631 T C 1.741 176.436 174.700 -0.008 0.000 1.039 1631 T CA 1.929 64.097 62.100 0.113 0.000 1.153 1631 T CB -0.418 68.620 68.868 0.283 0.000 0.863 1631 T HN 0.407 nan 8.240 nan 0.000 0.428 1632 E N 0.831 121.060 120.200 0.048 0.000 2.077 1632 E HA -0.117 4.233 4.350 0.000 0.000 0.193 1632 E C 2.467 179.097 176.600 0.049 0.000 0.989 1632 E CA 1.239 57.666 56.400 0.043 0.000 0.800 1632 E CB -0.232 29.513 29.700 0.075 0.000 0.746 1632 E HN 0.338 nan 8.360 nan 0.000 0.452 1633 S N -0.066 115.652 115.700 0.029 0.000 2.423 1633 S HA -0.098 4.372 4.470 0.000 0.000 0.231 1633 S C 1.835 176.423 174.600 -0.021 0.000 1.014 1633 S CA 0.837 59.079 58.200 0.071 0.000 0.965 1633 S CB 0.059 63.226 63.200 -0.055 0.000 0.785 1633 S HN 0.132 nan 8.310 nan 0.000 0.495 1634 M N 0.435 119.904 119.600 -0.219 0.000 2.476 1634 M HA 0.148 4.628 4.480 0.000 0.000 0.262 1634 M C 1.851 178.069 176.300 -0.137 0.000 1.111 1634 M CA 0.623 55.757 55.300 -0.277 0.000 1.127 1634 M CB -0.590 31.677 32.600 -0.554 0.000 1.376 1634 M HN 0.220 nan 8.290 nan 0.000 0.465 1635 V N -0.892 118.969 119.914 -0.089 0.000 2.492 1635 V HA -0.059 4.061 4.120 0.000 0.000 0.241 1635 V C 2.363 178.405 176.094 -0.086 0.000 1.041 1635 V CA 0.745 63.007 62.300 -0.065 0.000 1.057 1635 V CB -0.098 31.701 31.823 -0.041 0.000 0.711 1635 V HN 0.116 nan 8.190 nan 0.000 0.468 1636 V N -0.398 119.448 119.914 -0.114 0.000 2.283 1636 V HA -0.142 3.978 4.120 0.000 0.000 0.243 1636 V C 2.070 177.925 176.094 -0.399 0.000 1.039 1636 V CA 2.251 64.368 62.300 -0.305 0.000 1.016 1636 V CB -0.582 30.957 31.823 -0.474 0.000 0.650 1636 V HN 0.482 nan 8.190 nan 0.000 0.449 1637 F N 0.089 119.998 119.950 -0.068 0.000 2.505 1637 F HA 0.533 5.060 4.527 0.000 0.000 0.289 1637 F C 1.545 177.298 175.800 -0.078 0.000 1.101 1637 F CA 0.662 58.623 58.000 -0.066 0.000 1.446 1637 F CB -0.596 38.364 39.000 -0.068 0.000 1.123 1637 F HN 0.306 nan 8.300 nan 0.000 0.564 1638 G N 0.053 108.897 108.800 0.072 0.000 2.860 1638 G HA2 -0.266 3.694 3.960 0.000 0.000 0.553 1638 G HA3 -0.266 3.694 3.960 0.000 0.000 0.553 1638 G C -0.472 174.410 174.900 -0.031 0.000 1.439 1638 G CA -1.128 43.962 45.100 -0.017 0.000 0.879 1638 G HN 0.295 nan 8.290 nan 0.000 0.545 1639 c N 3.128 121.683 118.600 -0.076 0.000 2.517 1639 c HA 0.356 4.926 4.570 0.000 0.000 0.403 1639 c C -0.353 173.706 174.090 -0.051 0.000 1.467 1639 c CA -0.036 56.241 56.329 -0.087 0.000 1.542 1639 c CB -0.468 41.982 42.510 -0.101 0.000 2.482 1639 c HN 0.749 nan 8.230 nan 0.000 0.610 1640 P HA 0.219 nan 4.420 nan 0.000 0.272 1640 P C -0.169 177.109 177.300 -0.037 0.000 1.223 1640 P CA 0.147 63.222 63.100 -0.041 0.000 0.784 1640 P CB 0.431 32.096 31.700 -0.059 0.000 0.923 1641 N N 0.000 118.684 118.700 -0.026 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 1641 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667