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 2i07_1_B 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 0.000 176.363 176.300 0.106 0.000 2.045 730 D CA 0.000 54.072 54.000 0.120 0.000 0.868 730 D CB 0.000 40.928 40.800 0.214 0.000 0.688 731 E N 0.806 121.078 120.200 0.120 0.000 2.179 731 E HA 0.456 4.806 4.350 0.000 0.000 0.275 731 E C -0.922 175.736 176.600 0.097 0.000 0.945 731 E CA -0.357 56.093 56.400 0.084 0.000 0.792 731 E CB 1.087 30.820 29.700 0.056 0.000 1.125 731 E HN 0.396 nan 8.360 nan 0.000 0.397 732 D N 1.573 122.014 120.400 0.068 0.000 2.716 732 D HA -0.186 4.454 4.640 0.000 0.000 0.239 732 D C -1.111 175.196 176.300 0.011 0.000 1.125 732 D CA 0.721 54.752 54.000 0.050 0.000 0.681 732 D CB -0.650 40.185 40.800 0.057 0.000 1.070 732 D HN 0.554 nan 8.370 nan 0.000 0.432 733 I N -0.459 120.100 120.570 -0.018 0.000 3.006 733 I HA 0.391 4.561 4.170 0.000 0.000 0.306 733 I C -0.406 175.625 176.117 -0.144 0.000 1.250 733 I CA -1.244 59.962 61.300 -0.156 0.000 0.996 733 I CB 1.764 39.537 38.000 -0.378 0.000 1.261 733 I HN -0.097 nan 8.210 nan 0.000 0.442 734 I N 5.384 125.820 120.570 -0.223 0.000 2.396 734 I HA 0.284 4.454 4.170 0.000 0.000 0.289 734 I C 0.925 176.952 176.117 -0.149 0.000 1.056 734 I CA -0.105 61.065 61.300 -0.217 0.000 1.365 734 I CB 1.158 38.928 38.000 -0.383 0.000 1.407 734 I HN 0.623 nan 8.210 nan 0.000 0.509 735 A N 6.098 128.867 122.820 -0.085 0.000 2.409 735 A HA 0.022 4.342 4.320 0.000 0.000 0.246 735 A C 1.469 179.025 177.584 -0.047 0.000 1.099 735 A CA -0.093 51.914 52.037 -0.050 0.000 0.789 735 A CB 0.294 19.284 19.000 -0.017 0.000 1.053 735 A HN 0.845 nan 8.150 nan 0.000 0.503 736 E N -0.123 120.061 120.200 -0.026 0.000 2.106 736 E HA -0.172 4.178 4.350 0.000 0.000 0.192 736 E C 1.357 177.953 176.600 -0.005 0.000 0.984 736 E CA 1.715 58.105 56.400 -0.016 0.000 0.806 736 E CB -0.039 29.660 29.700 -0.002 0.000 0.750 736 E HN 0.751 nan 8.360 nan 0.000 0.458 737 E N 0.306 120.507 120.200 0.002 0.000 2.347 737 E HA -0.031 4.319 4.350 0.000 0.000 0.196 737 E C 1.542 178.148 176.600 0.011 0.000 1.008 737 E CA 0.685 57.091 56.400 0.010 0.000 0.852 737 E CB -0.154 29.555 29.700 0.016 0.000 0.783 737 E HN 0.392 nan 8.360 nan 0.000 0.505 738 N N 0.088 118.789 118.700 0.002 0.000 2.409 738 N HA 0.027 4.767 4.740 0.000 0.000 0.179 738 N C -0.067 175.446 175.510 0.005 0.000 1.032 738 N CA 0.147 53.202 53.050 0.008 0.000 0.898 738 N CB 0.247 38.731 38.487 -0.004 0.000 0.971 738 N HN 0.113 nan 8.380 nan 0.000 0.441 739 I N 2.201 122.767 120.570 -0.007 0.000 2.337 739 I HA 0.075 4.245 4.170 0.000 0.000 0.291 739 I C -0.363 175.763 176.117 0.014 0.000 1.046 739 I CA -0.419 60.880 61.300 -0.002 0.000 1.324 739 I CB 1.022 39.015 38.000 -0.011 0.000 1.409 739 I HN -0.203 nan 8.210 nan 0.000 0.494 740 V N 6.113 126.041 119.914 0.023 0.000 2.406 740 V HA 0.150 4.271 4.120 0.000 0.000 0.272 740 V C 0.561 176.671 176.094 0.026 0.000 1.043 740 V CA -0.339 61.976 62.300 0.024 0.000 0.915 740 V CB 1.018 32.856 31.823 0.025 0.000 0.988 740 V HN 0.744 nan 8.190 nan 0.000 0.466 741 S N 5.000 120.717 115.700 0.028 0.000 2.580 741 S HA 0.372 4.842 4.470 0.000 0.000 0.274 741 S C 0.347 174.973 174.600 0.042 0.000 1.329 741 S CA -0.627 57.599 58.200 0.045 0.000 1.036 741 S CB 0.490 63.721 63.200 0.051 0.000 0.919 741 S HN 0.631 nan 8.310 nan 0.000 0.515 742 R N 1.479 122.027 120.500 0.080 0.000 2.347 742 R HA 0.189 4.529 4.340 0.000 0.000 0.304 742 R C 0.830 177.183 176.300 0.088 0.000 1.072 742 R CA -0.044 56.075 56.100 0.031 0.000 0.980 742 R CB 0.536 30.909 30.300 0.121 0.000 0.986 742 R HN 0.850 nan 8.270 nan 0.000 0.448 743 S N 1.183 116.788 115.700 -0.157 0.000 2.670 743 S HA 0.042 4.512 4.470 0.000 0.000 0.241 743 S C 0.161 174.624 174.600 -0.228 0.000 1.077 743 S CA -0.508 57.674 58.200 -0.031 0.000 0.899 743 S CB 0.378 63.572 63.200 -0.010 0.000 0.835 743 S HN 0.546 nan 8.310 nan 0.000 0.481 744 E N 1.351 121.240 120.200 -0.517 0.000 1.996 744 E HA 0.295 4.645 4.350 0.000 0.000 0.280 744 E C -1.558 174.649 176.600 -0.656 0.000 1.092 744 E CA -0.170 55.970 56.400 -0.432 0.000 0.862 744 E CB 0.134 29.626 29.700 -0.346 0.000 1.066 744 E HN 0.456 nan 8.360 nan 0.000 0.396 745 F N 3.713 123.676 119.950 0.021 0.000 2.542 745 F HA 0.234 4.761 4.527 0.000 0.000 0.323 745 F C -1.804 174.073 175.800 0.127 0.000 1.411 745 F CA -1.954 56.094 58.000 0.080 0.000 1.124 745 F CB 0.432 39.464 39.000 0.054 0.000 1.331 745 F HN 0.264 nan 8.300 nan 0.000 0.560 746 P HA 0.166 nan 4.420 nan 0.000 0.272 746 P C 0.214 177.782 177.300 0.445 0.000 1.230 746 P CA -0.085 63.174 63.100 0.266 0.000 0.788 746 P CB 1.464 33.265 31.700 0.168 0.000 0.949 747 E N -0.439 119.972 120.200 0.352 0.000 2.400 747 E HA 0.068 4.418 4.350 0.000 0.000 0.195 747 E C 0.243 177.109 176.600 0.443 0.000 1.012 747 E CA 0.294 56.907 56.400 0.355 0.000 0.875 747 E CB 0.271 30.089 29.700 0.195 0.000 0.859 747 E HN 0.571 nan 8.360 nan 0.000 0.498 748 S N 0.152 116.088 115.700 0.394 0.000 2.537 748 S HA 0.552 5.022 4.470 0.000 0.000 0.271 748 S C -1.304 173.488 174.600 0.320 0.000 1.148 748 S CA -1.150 57.237 58.200 0.312 0.000 0.868 748 S CB 1.384 64.675 63.200 0.152 0.000 1.115 748 S HN 0.323 nan 8.310 nan 0.000 0.461 749 W N 1.017 122.312 121.300 -0.009 0.000 2.923 749 W HA 0.658 5.319 4.660 0.001 0.000 0.373 749 W C -0.652 175.872 176.519 0.009 0.000 1.205 749 W CA -1.073 56.251 57.345 -0.036 0.000 1.180 749 W CB 0.004 29.362 29.460 -0.169 0.000 1.477 749 W HN 1.339 nan 8.180 nan 0.000 0.581 750 L N 1.187 122.547 121.223 0.229 0.000 4.089 750 L HA -0.211 4.129 4.340 0.000 0.000 0.408 750 L C 0.144 177.049 176.870 0.059 0.000 1.184 750 L CA 0.124 54.985 54.840 0.034 0.000 0.947 750 L CB -1.727 40.074 42.059 -0.430 0.000 2.066 750 L HN 0.691 nan 8.230 nan 0.000 0.851 751 W N 3.097 124.377 121.300 -0.033 0.000 1.282 751 W HA 0.136 4.797 4.660 0.000 0.000 0.527 751 W C 0.491 177.001 176.519 -0.015 0.000 0.616 751 W CA -0.121 57.207 57.345 -0.028 0.000 2.357 751 W CB -0.203 29.258 29.460 0.001 0.000 1.453 751 W HN 0.421 nan 8.180 nan 0.000 0.188 752 N N 1.184 119.799 118.700 -0.140 0.000 2.443 752 N HA 0.380 5.120 4.740 0.000 0.000 0.293 752 N C -1.247 174.134 175.510 -0.214 0.000 1.159 752 N CA -0.611 52.364 53.050 -0.124 0.000 0.904 752 N CB 2.502 40.959 38.487 -0.050 0.000 1.214 752 N HN -0.214 nan 8.380 nan 0.000 0.513 753 V N 1.835 121.664 119.914 -0.142 0.000 2.380 753 V HA 0.312 4.433 4.120 0.000 0.000 0.286 753 V C -0.447 175.596 176.094 -0.085 0.000 1.015 753 V CA -0.634 61.583 62.300 -0.138 0.000 0.834 753 V CB 1.279 33.030 31.823 -0.121 0.000 1.009 753 V HN 0.544 nan 8.190 nan 0.000 0.428 754 E N 2.182 122.331 120.200 -0.084 0.000 2.244 754 E HA 0.567 4.917 4.350 0.000 0.000 0.266 754 E C -1.417 175.151 176.600 -0.055 0.000 0.914 754 E CA -0.773 55.592 56.400 -0.058 0.000 0.794 754 E CB 2.818 32.486 29.700 -0.053 0.000 1.210 754 E HN 0.550 nan 8.360 nan 0.000 0.414 755 D N 1.281 121.657 120.400 -0.041 0.000 2.308 755 D HA 0.290 4.930 4.640 0.000 0.000 0.242 755 D C -0.277 176.002 176.300 -0.034 0.000 1.059 755 D CA -0.429 53.549 54.000 -0.038 0.000 0.830 755 D CB 1.168 41.949 40.800 -0.031 0.000 1.161 755 D HN 0.131 nan 8.370 nan 0.000 0.494 756 L N 3.409 124.611 121.223 -0.035 0.000 2.384 756 L HA 0.172 4.513 4.340 0.000 0.000 0.258 756 L C 1.405 178.259 176.870 -0.027 0.000 1.266 756 L CA 0.244 55.064 54.840 -0.033 0.000 1.162 756 L CB -0.018 42.020 42.059 -0.036 0.000 1.375 756 L HN 0.228 nan 8.230 nan 0.000 0.420 757 K N 0.404 120.790 120.400 -0.024 0.000 2.355 757 K HA 0.101 4.421 4.320 0.000 0.000 0.198 757 K C 0.118 176.707 176.600 -0.018 0.000 1.039 757 K CA -0.221 56.055 56.287 -0.020 0.000 1.075 757 K CB 0.545 33.035 32.500 -0.017 0.000 0.870 757 K HN 0.366 nan 8.250 nan 0.000 0.540 758 E N 2.443 122.631 120.200 -0.019 0.000 2.529 758 E HA -0.018 4.332 4.350 0.000 0.000 0.259 758 E C -2.534 174.056 176.600 -0.017 0.000 0.966 758 E CA -1.385 55.005 56.400 -0.018 0.000 0.937 758 E CB -0.062 29.626 29.700 -0.020 0.000 0.923 758 E HN -0.068 nan 8.360 nan 0.000 0.468 759 P HA -0.056 nan 4.420 nan 0.000 0.259 759 P C -2.395 174.896 177.300 -0.016 0.000 1.163 759 P CA -0.445 62.647 63.100 -0.014 0.000 0.760 759 P CB -0.132 31.560 31.700 -0.012 0.000 0.762 760 P HA 0.249 nan 4.420 nan 0.000 0.290 760 P C -0.809 176.482 177.300 -0.015 0.000 1.276 760 P CA -0.307 62.783 63.100 -0.017 0.000 0.808 760 P CB 1.172 32.861 31.700 -0.017 0.000 0.966 761 K N 2.955 123.345 120.400 -0.016 0.000 2.464 761 K HA 0.256 4.576 4.320 0.000 0.000 0.252 761 K C -0.322 176.269 176.600 -0.015 0.000 1.000 761 K CA -0.491 55.787 56.287 -0.015 0.000 0.951 761 K CB 0.415 32.906 32.500 -0.015 0.000 1.183 761 K HN 0.495 nan 8.250 nan 0.000 0.445 762 N N 1.545 120.237 118.700 -0.014 0.000 2.816 762 N HA -0.191 4.549 4.740 0.000 0.000 0.247 762 N C 0.386 175.887 175.510 -0.015 0.000 1.100 762 N CA 0.218 53.260 53.050 -0.014 0.000 0.687 762 N CB -0.781 37.698 38.487 -0.013 0.000 1.003 762 N HN 1.054 nan 8.380 nan 0.000 0.554 763 G N -0.470 108.321 108.800 -0.015 0.000 2.179 763 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 763 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 763 G C -0.069 174.819 174.900 -0.020 0.000 1.010 763 G CA 0.507 45.596 45.100 -0.017 0.000 0.736 763 G HN 0.457 nan 8.290 nan 0.000 0.513 764 I N 1.437 121.995 120.570 -0.020 0.000 2.420 764 I HA 0.373 4.544 4.170 0.000 0.000 0.282 764 I C 0.436 176.538 176.117 -0.025 0.000 1.019 764 I CA -0.675 60.611 61.300 -0.024 0.000 1.130 764 I CB 1.104 39.090 38.000 -0.025 0.000 1.262 764 I HN 0.014 nan 8.210 nan 0.000 0.454 765 S N 4.309 119.993 115.700 -0.028 0.000 2.586 765 S HA 0.601 5.071 4.470 0.000 0.000 0.274 765 S C 0.201 174.781 174.600 -0.033 0.000 1.281 765 S CA -0.247 57.936 58.200 -0.028 0.000 1.035 765 S CB 1.143 64.326 63.200 -0.028 0.000 0.962 765 S HN 0.585 nan 8.310 nan 0.000 0.512 766 T N 2.819 117.353 114.554 -0.032 0.000 2.906 766 T HA 0.339 4.689 4.350 0.000 0.000 0.302 766 T C -0.597 174.082 174.700 -0.035 0.000 1.002 766 T CA -0.707 61.371 62.100 -0.037 0.000 0.988 766 T CB 0.917 69.764 68.868 -0.036 0.000 0.972 766 T HN 0.479 nan 8.240 nan 0.000 0.447 767 K N 4.083 124.460 120.400 -0.039 0.000 2.185 767 K HA 0.613 4.933 4.320 0.000 0.000 0.269 767 K C -1.005 175.575 176.600 -0.035 0.000 0.987 767 K CA -0.785 55.481 56.287 -0.034 0.000 0.865 767 K CB 0.668 33.148 32.500 -0.035 0.000 1.090 767 K HN 0.505 nan 8.250 nan 0.000 0.450 768 L N 5.500 126.709 121.223 -0.024 0.000 2.287 768 L HA 0.481 4.821 4.340 0.000 0.000 0.287 768 L C -0.387 176.479 176.870 -0.007 0.000 1.022 768 L CA -0.651 54.177 54.840 -0.020 0.000 0.814 768 L CB 1.516 43.565 42.059 -0.017 0.000 1.217 768 L HN 0.595 nan 8.230 nan 0.000 0.420 769 M N 3.474 123.073 119.600 -0.002 0.000 2.321 769 M HA 0.319 4.799 4.480 0.000 0.000 0.315 769 M C -0.518 175.800 176.300 0.030 0.000 1.052 769 M CA -0.256 55.055 55.300 0.019 0.000 0.936 769 M CB 2.239 34.852 32.600 0.021 0.000 1.639 769 M HN 0.535 nan 8.290 nan 0.000 0.433 770 N N 4.586 123.311 118.700 0.040 0.000 2.444 770 N HA 0.603 5.344 4.740 0.000 0.000 0.271 770 N C -1.495 174.070 175.510 0.092 0.000 1.069 770 N CA -0.346 52.719 53.050 0.025 0.000 0.965 770 N CB 0.975 39.461 38.487 -0.003 0.000 1.092 770 N HN 0.650 nan 8.380 nan 0.000 0.476 771 I N 0.167 120.780 120.570 0.071 0.000 2.647 771 I HA 0.444 4.614 4.170 0.000 0.000 0.295 771 I C -1.177 175.006 176.117 0.110 0.000 1.078 771 I CA -1.043 60.385 61.300 0.213 0.000 1.048 771 I CB 1.525 39.690 38.000 0.275 0.000 1.239 771 I HN 0.292 nan 8.210 nan 0.000 0.421 772 F N 5.536 125.485 119.950 -0.002 0.000 2.375 772 F HA 0.448 4.976 4.527 0.000 0.000 0.362 772 F C 0.355 176.009 175.800 -0.244 0.000 1.129 772 F CA -0.786 57.158 58.000 -0.092 0.000 1.154 772 F CB 0.914 39.844 39.000 -0.117 0.000 1.205 772 F HN 0.221 nan 8.300 nan 0.000 0.513 773 L N 4.736 125.920 121.223 -0.065 0.000 2.456 773 L HA 0.138 4.478 4.340 0.000 0.000 0.272 773 L C 0.841 177.502 176.870 -0.349 0.000 1.189 773 L CA -0.615 54.083 54.840 -0.237 0.000 0.846 773 L CB 0.277 42.354 42.059 0.031 0.000 1.111 773 L HN 0.538 nan 8.230 nan 0.000 0.475 774 K N 1.707 121.725 120.400 -0.636 0.000 2.545 774 K HA 0.029 4.350 4.320 0.000 0.000 0.269 774 K C 0.338 176.809 176.600 -0.215 0.000 1.071 774 K CA -0.116 55.880 56.287 -0.486 0.000 0.919 774 K CB 0.239 32.360 32.500 -0.631 0.000 1.169 774 K HN 0.466 nan 8.250 nan 0.000 0.493 775 D N -0.258 119.951 120.400 -0.318 0.000 2.360 775 D HA 0.046 4.686 4.640 0.000 0.000 0.210 775 D C -0.147 176.055 176.300 -0.164 0.000 1.047 775 D CA 0.356 54.136 54.000 -0.367 0.000 0.854 775 D CB 0.179 40.544 40.800 -0.725 0.000 0.936 775 D HN 0.161 nan 8.370 nan 0.000 0.514 776 S N 0.389 116.133 115.700 0.073 0.000 2.549 776 S HA 0.171 4.641 4.470 0.000 0.000 0.286 776 S C 0.559 175.193 174.600 0.056 0.000 1.314 776 S CA -0.142 58.224 58.200 0.277 0.000 1.062 776 S CB 0.548 63.903 63.200 0.259 0.000 0.865 776 S HN 0.110 nan 8.310 nan 0.000 0.498 777 I N 3.446 123.968 120.570 -0.079 0.000 2.307 777 I HA 0.372 4.542 4.170 0.000 0.000 0.287 777 I C 0.626 176.561 176.117 -0.304 0.000 1.054 777 I CA 0.003 61.139 61.300 -0.274 0.000 1.218 777 I CB 0.684 38.321 38.000 -0.606 0.000 1.398 777 I HN 0.625 nan 8.210 nan 0.000 0.475 778 T N 2.764 117.134 114.554 -0.307 0.000 2.651 778 T HA 0.356 4.707 4.350 0.000 0.000 0.279 778 T C -1.150 173.338 174.700 -0.352 0.000 1.447 778 T CA -0.239 61.648 62.100 -0.356 0.000 1.056 778 T CB 1.514 70.100 68.868 -0.470 0.000 1.904 778 T HN 0.325 nan 8.240 nan 0.000 0.437 779 T N 1.397 115.708 114.554 -0.404 0.000 2.879 779 T HA 0.578 4.928 4.350 0.000 0.000 0.290 779 T C -1.420 173.083 174.700 -0.329 0.000 0.993 779 T CA -0.296 61.632 62.100 -0.285 0.000 0.975 779 T CB 0.668 69.436 68.868 -0.166 0.000 0.981 779 T HN 0.463 nan 8.240 nan 0.000 0.439 780 W N 1.714 123.013 121.300 -0.001 0.000 2.381 780 W HA 0.485 5.145 4.660 0.000 0.000 0.329 780 W C 0.757 177.234 176.519 -0.071 0.000 1.157 780 W CA -0.660 56.692 57.345 0.011 0.000 1.240 780 W CB 0.721 30.232 29.460 0.084 0.000 1.199 780 W HN 0.500 nan 8.180 nan 0.000 0.579 781 E N 3.103 123.435 120.200 0.219 0.000 2.145 781 E HA 0.352 4.702 4.350 0.000 0.000 0.270 781 E C -1.086 175.545 176.600 0.051 0.000 0.906 781 E CA -0.508 55.943 56.400 0.085 0.000 0.761 781 E CB 0.807 30.545 29.700 0.064 0.000 1.116 781 E HN 0.376 nan 8.360 nan 0.000 0.408 782 I N 5.757 126.348 120.570 0.035 0.000 2.328 782 I HA 0.215 4.385 4.170 0.000 0.000 0.287 782 I C -0.741 175.406 176.117 0.051 0.000 1.012 782 I CA -0.804 60.507 61.300 0.019 0.000 1.195 782 I CB 1.105 39.154 38.000 0.083 0.000 1.350 782 I HN 0.338 nan 8.210 nan 0.000 0.464 783 L N 7.472 128.698 121.223 0.004 0.000 2.319 783 L HA 0.760 5.100 4.340 0.000 0.000 0.281 783 L C -0.328 176.523 176.870 -0.032 0.000 1.005 783 L CA -0.170 54.673 54.840 0.006 0.000 0.828 783 L CB 1.355 43.423 42.059 0.016 0.000 1.227 783 L HN 0.629 nan 8.230 nan 0.000 0.415 784 A N 4.957 127.758 122.820 -0.031 0.000 2.330 784 A HA 0.828 5.148 4.320 0.000 0.000 0.327 784 A C -1.282 176.266 177.584 -0.060 0.000 1.155 784 A CA -0.539 51.461 52.037 -0.062 0.000 0.803 784 A CB 1.481 20.445 19.000 -0.060 0.000 1.208 784 A HN 0.488 nan 8.150 nan 0.000 0.477 785 V N 2.342 122.207 119.914 -0.082 0.000 2.540 785 V HA 0.643 4.763 4.120 0.000 0.000 0.302 785 V C 0.317 176.366 176.094 -0.075 0.000 1.035 785 V CA -0.212 62.046 62.300 -0.071 0.000 0.873 785 V CB 1.884 33.661 31.823 -0.075 0.000 0.992 785 V HN 1.138 nan 8.190 nan 0.000 0.428 786 S N 4.700 120.365 115.700 -0.058 0.000 2.621 786 S HA 0.918 5.389 4.470 0.000 0.000 0.302 786 S C -0.786 173.785 174.600 -0.047 0.000 1.093 786 S CA -0.778 57.388 58.200 -0.055 0.000 1.017 786 S CB 1.999 65.171 63.200 -0.048 0.000 1.077 786 S HN 0.626 nan 8.310 nan 0.000 0.517 787 M N 2.595 122.167 119.600 -0.046 0.000 2.149 787 M HA 0.523 5.003 4.480 0.000 0.000 0.273 787 M C -1.052 175.228 176.300 -0.034 0.000 0.972 787 M CA 0.060 55.337 55.300 -0.038 0.000 0.984 787 M CB 1.949 34.525 32.600 -0.041 0.000 1.699 787 M HN 0.830 nan 8.290 nan 0.000 0.462 788 S N 2.092 117.775 115.700 -0.028 0.000 2.532 788 S HA 0.438 4.908 4.470 0.000 0.000 0.299 788 S C 0.266 174.853 174.600 -0.021 0.000 1.105 788 S CA -0.687 57.498 58.200 -0.025 0.000 1.018 788 S CB 0.826 64.011 63.200 -0.025 0.000 1.021 788 S HN 0.789 nan 8.310 nan 0.000 0.483 789 D N 4.098 124.486 120.400 -0.020 0.000 2.389 789 D HA -0.090 4.550 4.640 0.000 0.000 0.221 789 D C 0.976 177.266 176.300 -0.016 0.000 0.974 789 D CA 1.087 55.077 54.000 -0.017 0.000 0.923 789 D CB 0.106 40.897 40.800 -0.016 0.000 0.892 789 D HN 0.578 nan 8.370 nan 0.000 0.518 790 K N -0.510 119.880 120.400 -0.017 0.000 2.312 790 K HA 0.146 4.467 4.320 0.000 0.000 0.206 790 K C 1.546 178.137 176.600 -0.015 0.000 1.121 790 K CA -0.067 56.211 56.287 -0.015 0.000 0.923 790 K CB 0.495 32.986 32.500 -0.015 0.000 1.162 790 K HN -0.136 nan 8.250 nan 0.000 0.478 791 K N 0.930 121.320 120.400 -0.017 0.000 2.374 791 K HA 0.171 4.491 4.320 0.000 0.000 0.196 791 K C 0.861 177.451 176.600 -0.017 0.000 1.023 791 K CA 0.586 56.863 56.287 -0.017 0.000 1.103 791 K CB 0.725 33.214 32.500 -0.019 0.000 0.848 791 K HN 0.405 nan 8.250 nan 0.000 0.528 792 G N 2.060 110.849 108.800 -0.018 0.000 2.539 792 G HA2 -0.322 3.638 3.960 0.000 0.000 0.256 792 G HA3 -0.322 3.638 3.960 0.000 0.000 0.256 792 G C -0.044 174.844 174.900 -0.021 0.000 1.233 792 G CA -0.101 44.989 45.100 -0.018 0.000 0.936 792 G HN 0.271 nan 8.290 nan 0.000 0.571 793 I N -0.153 120.406 120.570 -0.019 0.000 2.764 793 I HA 0.557 4.728 4.170 0.000 0.000 0.294 793 I C 0.361 176.465 176.117 -0.021 0.000 1.045 793 I CA 0.043 61.329 61.300 -0.022 0.000 1.340 793 I CB 1.195 39.184 38.000 -0.019 0.000 1.436 793 I HN 1.129 nan 8.210 nan 0.000 0.567 794 C N 6.481 125.767 119.300 -0.025 0.000 3.050 794 C HA 0.414 4.874 4.460 0.000 0.000 0.416 794 C C -1.104 173.871 174.990 -0.025 0.000 0.994 794 C CA -0.555 58.450 59.018 -0.023 0.000 1.222 794 C CB 0.163 27.888 27.740 -0.024 0.000 1.612 794 C HN 0.513 nan 8.230 nan 0.000 0.550 795 V N 6.222 126.125 119.914 -0.018 0.000 2.406 795 V HA 0.657 4.777 4.120 0.000 0.000 0.272 795 V C 1.073 177.160 176.094 -0.013 0.000 1.043 795 V CA 0.482 62.772 62.300 -0.016 0.000 0.915 795 V CB 1.244 33.062 31.823 -0.008 0.000 0.988 795 V HN 1.160 nan 8.190 nan 0.000 0.466 796 A N 4.122 126.933 122.820 -0.015 0.000 2.304 796 A HA 0.510 4.830 4.320 0.000 0.000 0.271 796 A C -0.081 177.507 177.584 0.007 0.000 1.091 796 A CA -0.636 51.395 52.037 -0.010 0.000 0.812 796 A CB 0.213 19.200 19.000 -0.020 0.000 1.056 796 A HN 0.805 nan 8.150 nan 0.000 0.489 797 D N 1.672 122.080 120.400 0.014 0.000 2.443 797 D HA 0.371 5.011 4.640 0.000 0.000 0.239 797 D C -2.130 174.206 176.300 0.060 0.000 1.136 797 D CA -0.152 53.867 54.000 0.032 0.000 0.879 797 D CB -0.068 40.752 40.800 0.034 0.000 1.195 797 D HN 0.249 nan 8.370 nan 0.000 0.443 798 P HA 0.123 nan 4.420 nan 0.000 0.269 798 P C -0.806 176.598 177.300 0.172 0.000 1.209 798 P CA -0.226 62.929 63.100 0.092 0.000 0.776 798 P CB 0.304 32.039 31.700 0.058 0.000 0.876 799 F N 1.883 121.834 119.950 0.002 0.000 2.460 799 F HA 0.327 4.854 4.527 0.000 0.000 0.341 799 F C -0.283 175.535 175.800 0.030 0.000 1.130 799 F CA -0.868 57.137 58.000 0.009 0.000 0.962 799 F CB 1.299 40.297 39.000 -0.002 0.000 1.171 799 F HN 0.240 nan 8.300 nan 0.000 0.436 800 E N 4.904 124.816 120.200 -0.479 0.000 2.197 800 E HA 0.527 4.877 4.350 0.000 0.000 0.281 800 E C -1.216 175.047 176.600 -0.563 0.000 0.995 800 E CA -0.890 55.285 56.400 -0.376 0.000 0.808 800 E CB 2.391 31.985 29.700 -0.176 0.000 1.093 800 E HN 0.374 nan 8.360 nan 0.000 0.394 801 V N 3.108 122.855 119.914 -0.277 0.000 2.409 801 V HA 0.229 4.349 4.120 0.000 0.000 0.291 801 V C -0.174 175.931 176.094 0.018 0.000 1.020 801 V CA -0.724 61.495 62.300 -0.135 0.000 0.848 801 V CB 1.767 33.604 31.823 0.023 0.000 0.990 801 V HN 0.683 nan 8.190 nan 0.000 0.430 802 T N 4.787 119.325 114.554 -0.027 0.000 2.733 802 T HA 0.452 4.802 4.350 0.000 0.000 0.294 802 T C -0.136 174.565 174.700 0.002 0.000 0.956 802 T CA -0.266 61.811 62.100 -0.039 0.000 0.987 802 T CB 1.127 69.955 68.868 -0.067 0.000 0.920 802 T HN 0.354 nan 8.240 nan 0.000 0.470 803 V N 5.824 125.739 119.914 0.001 0.000 2.370 803 V HA 0.568 4.688 4.120 0.000 0.000 0.279 803 V C 0.057 176.115 176.094 -0.060 0.000 1.029 803 V CA -0.540 61.776 62.300 0.026 0.000 0.870 803 V CB 1.135 33.033 31.823 0.124 0.000 0.984 803 V HN 0.837 nan 8.190 nan 0.000 0.451 804 M N 3.724 123.303 119.600 -0.036 0.000 2.716 804 M HA 0.584 5.064 4.480 0.000 0.000 0.278 804 M C -1.688 174.634 176.300 0.036 0.000 1.281 804 M CA -0.569 54.700 55.300 -0.051 0.000 0.814 804 M CB 3.002 35.583 32.600 -0.032 0.000 1.719 804 M HN 0.715 nan 8.290 nan 0.000 0.457 805 Q N 0.099 119.990 119.800 0.152 0.000 2.435 805 Q HA 0.229 4.570 4.340 0.000 0.000 0.282 805 Q C -1.032 175.234 176.000 0.444 0.000 1.020 805 Q CA -0.572 55.391 55.803 0.267 0.000 0.820 805 Q CB 2.237 31.125 28.738 0.250 0.000 1.436 805 Q HN 0.733 nan 8.270 nan 0.000 0.395 806 D N 0.552 121.155 120.400 0.339 0.000 2.144 806 D HA 0.013 4.654 4.640 0.000 0.000 0.200 806 D C -0.318 176.196 176.300 0.357 0.000 0.978 806 D CA 1.314 55.513 54.000 0.331 0.000 0.833 806 D CB 0.242 41.188 40.800 0.242 0.000 0.961 806 D HN 0.262 nan 8.370 nan 0.000 0.470 807 F N 0.678 120.733 119.950 0.175 0.000 2.547 807 F HA 0.486 5.014 4.527 0.000 0.000 0.316 807 F C -1.487 174.416 175.800 0.171 0.000 1.121 807 F CA -1.307 56.713 58.000 0.033 0.000 0.911 807 F CB 0.993 39.994 39.000 0.001 0.000 1.179 807 F HN -0.148 nan 8.300 nan 0.000 0.443 808 F N 4.136 123.671 119.950 -0.692 0.000 2.817 808 F HA 0.773 5.301 4.527 0.000 0.000 0.317 808 F C -2.117 173.424 175.800 -0.431 0.000 1.168 808 F CA -1.902 55.726 58.000 -0.621 0.000 0.911 808 F CB 0.869 39.761 39.000 -0.181 0.000 1.337 808 F HN 0.308 nan 8.300 nan 0.000 0.464 809 I N 1.140 121.768 120.570 0.096 0.000 2.530 809 I HA 0.422 4.593 4.170 0.000 0.000 0.297 809 I C -1.322 174.969 176.117 0.290 0.000 1.011 809 I CA -0.629 60.754 61.300 0.139 0.000 1.107 809 I CB 1.716 39.738 38.000 0.036 0.000 1.285 809 I HN 0.505 nan 8.210 nan 0.000 0.436 810 D N 5.635 126.222 120.400 0.311 0.000 2.454 810 D HA 0.269 4.909 4.640 0.000 0.000 0.225 810 D C -1.068 175.294 176.300 0.104 0.000 1.081 810 D CA -0.496 53.635 54.000 0.219 0.000 0.864 810 D CB 1.351 42.365 40.800 0.357 0.000 1.040 810 D HN 0.264 nan 8.370 nan 0.000 0.517 811 L N 5.103 126.333 121.223 0.012 0.000 2.363 811 L HA 0.305 4.645 4.340 0.000 0.000 0.286 811 L C 0.035 176.880 176.870 -0.041 0.000 1.106 811 L CA -0.037 54.796 54.840 -0.012 0.000 0.859 811 L CB -0.032 41.997 42.059 -0.050 0.000 1.223 811 L HN 0.221 nan 8.230 nan 0.000 0.446 812 R N 5.416 125.915 120.500 -0.001 0.000 2.391 812 R HA 0.310 4.651 4.340 0.000 0.000 0.310 812 R C -0.742 175.552 176.300 -0.010 0.000 1.174 812 R CA -0.945 55.151 56.100 -0.008 0.000 1.118 812 R CB 0.323 30.636 30.300 0.021 0.000 1.134 812 R HN 0.391 nan 8.270 nan 0.000 0.524 813 L N 3.680 124.886 121.223 -0.028 0.000 2.468 813 L HA 0.383 4.723 4.340 0.000 0.000 0.254 813 L C -1.416 175.457 176.870 0.004 0.000 1.171 813 L CA -1.775 53.054 54.840 -0.020 0.000 0.809 813 L CB -0.174 41.864 42.059 -0.034 0.000 1.155 813 L HN 0.409 nan 8.230 nan 0.000 0.473 814 P HA 0.146 nan 4.420 nan 0.000 0.283 814 P C 0.170 177.516 177.300 0.077 0.000 1.278 814 P CA -0.461 62.665 63.100 0.043 0.000 0.834 814 P CB 0.649 32.368 31.700 0.032 0.000 1.150 815 Y N 1.154 121.451 120.300 -0.005 0.000 2.070 815 Y HA -0.131 4.419 4.550 0.000 0.000 0.280 815 Y C 0.955 176.863 175.900 0.013 0.000 1.148 815 Y CA 2.056 60.158 58.100 0.004 0.000 1.125 815 Y CB -0.404 38.058 38.460 0.003 0.000 0.975 815 Y HN 0.500 nan 8.280 nan 0.000 0.492 816 S N -0.323 115.295 115.700 -0.136 0.000 2.595 816 S HA 0.714 5.184 4.470 0.000 0.000 0.281 816 S C -0.995 173.575 174.600 -0.050 0.000 1.117 816 S CA -0.262 57.809 58.200 -0.215 0.000 0.873 816 S CB 1.995 65.036 63.200 -0.265 0.000 1.108 816 S HN 0.666 nan 8.310 nan 0.000 0.477 817 V N -1.193 118.697 119.914 -0.041 0.000 3.007 817 V HA 0.836 4.957 4.120 0.000 0.000 0.311 817 V C -0.524 175.568 176.094 -0.004 0.000 1.120 817 V CA -1.023 61.280 62.300 0.006 0.000 0.980 817 V CB 1.252 33.101 31.823 0.044 0.000 1.033 817 V HN 0.865 nan 8.190 nan 0.000 0.429 818 V N 2.581 122.500 119.914 0.009 0.000 2.583 818 V HA 0.412 4.532 4.120 0.000 0.000 0.287 818 V C 0.793 176.887 176.094 0.000 0.000 1.051 818 V CA -0.407 61.891 62.300 -0.004 0.000 1.010 818 V CB 0.994 32.821 31.823 0.006 0.000 0.988 818 V HN 1.076 nan 8.190 nan 0.000 0.478 819 R N 4.240 124.728 120.500 -0.019 0.000 2.480 819 R HA 0.054 4.394 4.340 0.000 0.000 0.303 819 R C 0.743 177.041 176.300 -0.003 0.000 0.985 819 R CA 1.306 57.394 56.100 -0.021 0.000 1.051 819 R CB -0.684 29.593 30.300 -0.039 0.000 0.935 819 R HN 0.943 nan 8.270 nan 0.000 0.410 820 N N 0.855 119.557 118.700 0.005 0.000 2.962 820 N HA -0.197 4.544 4.740 0.000 0.000 0.206 820 N C -1.135 174.388 175.510 0.021 0.000 0.907 820 N CA 1.032 54.091 53.050 0.015 0.000 1.029 820 N CB -0.640 37.859 38.487 0.020 0.000 1.009 820 N HN 0.691 nan 8.380 nan 0.000 0.587 821 E N 1.955 122.171 120.200 0.027 0.000 2.223 821 E HA 0.059 4.409 4.350 0.000 0.000 0.282 821 E C -0.027 176.596 176.600 0.038 0.000 1.046 821 E CA -0.001 56.422 56.400 0.039 0.000 0.857 821 E CB 0.861 30.591 29.700 0.051 0.000 1.055 821 E HN 0.159 nan 8.360 nan 0.000 0.409 822 Q N 3.243 123.044 119.800 0.003 0.000 2.296 822 Q HA 0.257 4.597 4.340 0.000 0.000 0.262 822 Q C -0.763 175.266 176.000 0.048 0.000 0.981 822 Q CA -0.438 55.324 55.803 -0.068 0.000 0.905 822 Q CB 0.714 29.280 28.738 -0.287 0.000 1.186 822 Q HN 0.369 nan 8.270 nan 0.000 0.399 823 V N 0.451 120.420 119.914 0.092 0.000 3.078 823 V HA 0.586 4.707 4.120 0.000 0.000 0.311 823 V C -0.932 175.288 176.094 0.210 0.000 1.138 823 V CA -1.164 61.275 62.300 0.231 0.000 1.007 823 V CB 1.834 33.740 31.823 0.139 0.000 1.045 823 V HN 0.901 nan 8.190 nan 0.000 0.432 824 E N 1.750 122.104 120.200 0.257 0.000 2.216 824 E HA 0.679 5.029 4.350 0.000 0.000 0.279 824 E C -0.858 175.803 176.600 0.101 0.000 0.997 824 E CA -0.830 55.685 56.400 0.190 0.000 0.817 824 E CB 1.676 31.493 29.700 0.194 0.000 1.096 824 E HN 0.842 nan 8.360 nan 0.000 0.393 825 I N 0.725 121.352 120.570 0.095 0.000 2.603 825 I HA 0.622 4.792 4.170 0.000 0.000 0.300 825 I C -0.633 175.531 176.117 0.079 0.000 1.017 825 I CA -1.143 60.198 61.300 0.068 0.000 1.098 825 I CB 1.781 39.808 38.000 0.045 0.000 1.279 825 I HN 0.251 nan 8.210 nan 0.000 0.437 826 R N 3.767 124.298 120.500 0.051 0.000 2.604 826 R HA 0.807 5.147 4.340 0.000 0.000 0.287 826 R C -1.003 175.331 176.300 0.056 0.000 0.970 826 R CA -0.978 55.142 56.100 0.034 0.000 0.946 826 R CB 1.959 32.269 30.300 0.016 0.000 1.127 826 R HN 0.903 nan 8.270 nan 0.000 0.473 827 A N 2.360 125.206 122.820 0.044 0.000 2.375 827 A HA 0.477 4.798 4.320 0.000 0.000 0.291 827 A C -0.732 176.861 177.584 0.015 0.000 1.160 827 A CA -0.670 51.408 52.037 0.069 0.000 0.747 827 A CB 1.105 20.201 19.000 0.159 0.000 1.170 827 A HN 0.347 nan 8.150 nan 0.000 0.458 828 V N 3.228 123.157 119.914 0.026 0.000 2.370 828 V HA 0.380 4.500 4.120 0.000 0.000 0.279 828 V C -0.537 175.495 176.094 -0.104 0.000 1.029 828 V CA -0.444 61.799 62.300 -0.095 0.000 0.870 828 V CB 0.934 32.671 31.823 -0.142 0.000 0.984 828 V HN 0.681 nan 8.190 nan 0.000 0.451 829 L N 6.115 127.220 121.223 -0.196 0.000 2.255 829 L HA 0.456 4.796 4.340 0.000 0.000 0.289 829 L C -0.513 176.161 176.870 -0.326 0.000 1.046 829 L CA -0.016 54.744 54.840 -0.134 0.000 0.816 829 L CB 0.212 42.301 42.059 0.050 0.000 1.197 829 L HN 0.485 nan 8.230 nan 0.000 0.427 830 Y N 2.090 122.129 120.300 -0.435 0.000 2.326 830 Y HA 0.374 4.924 4.550 0.000 0.000 0.337 830 Y C 0.593 176.145 175.900 -0.580 0.000 1.023 830 Y CA -0.371 57.322 58.100 -0.677 0.000 1.143 830 Y CB 1.145 38.974 38.460 -1.052 0.000 1.183 830 Y HN 0.529 nan 8.280 nan 0.000 0.485 831 N N 2.995 121.485 118.700 -0.349 0.000 2.564 831 N HA 0.164 4.904 4.740 0.000 0.000 0.248 831 N C -1.265 174.105 175.510 -0.233 0.000 0.986 831 N CA -0.524 52.427 53.050 -0.165 0.000 0.921 831 N CB 0.186 38.613 38.487 -0.099 0.000 1.136 831 N HN 0.580 nan 8.380 nan 0.000 0.509 832 Y N 1.463 121.794 120.300 0.053 0.000 2.625 832 Y HA 0.324 4.874 4.550 0.000 0.000 0.285 832 Y C 0.558 176.498 175.900 0.066 0.000 1.168 832 Y CA -0.605 57.535 58.100 0.067 0.000 1.250 832 Y CB 0.428 38.940 38.460 0.088 0.000 1.130 832 Y HN 0.185 nan 8.280 nan 0.000 0.526 833 R N 0.807 121.399 120.500 0.153 0.000 2.389 833 R HA 0.013 4.354 4.340 0.000 0.000 0.295 833 R C 1.200 177.552 176.300 0.086 0.000 1.075 833 R CA -0.163 56.003 56.100 0.110 0.000 1.005 833 R CB 0.936 31.274 30.300 0.063 0.000 0.987 833 R HN 0.266 nan 8.270 nan 0.000 0.452 834 Q N 2.364 122.215 119.800 0.085 0.000 1.998 834 Q HA -0.229 4.112 4.340 0.000 0.000 0.209 834 Q C 0.267 176.297 176.000 0.050 0.000 1.002 834 Q CA 2.180 58.025 55.803 0.071 0.000 0.858 834 Q CB 0.137 28.912 28.738 0.062 0.000 0.932 834 Q HN 0.707 nan 8.270 nan 0.000 0.416 835 N N -0.724 117.999 118.700 0.039 0.000 2.622 835 N HA 0.133 4.873 4.740 0.000 0.000 0.304 835 N C -1.373 174.146 175.510 0.015 0.000 1.844 835 N CA -0.186 52.878 53.050 0.024 0.000 0.886 835 N CB 0.853 39.354 38.487 0.023 0.000 1.366 835 N HN 0.044 nan 8.380 nan 0.000 0.491 836 Q N 1.813 121.616 119.800 0.006 0.000 2.397 836 Q HA 0.200 4.541 4.340 0.000 0.000 0.260 836 Q C -0.775 175.191 176.000 -0.057 0.000 1.002 836 Q CA -0.423 55.373 55.803 -0.012 0.000 0.716 836 Q CB 1.057 29.795 28.738 -0.000 0.000 1.258 836 Q HN 0.427 nan 8.270 nan 0.000 0.477 837 E N 3.224 123.391 120.200 -0.056 0.000 2.404 837 E HA 0.364 4.714 4.350 0.000 0.000 0.261 837 E C -0.824 175.701 176.600 -0.125 0.000 1.074 837 E CA -0.362 55.989 56.400 -0.082 0.000 0.917 837 E CB 0.917 30.581 29.700 -0.060 0.000 0.965 837 E HN 0.515 nan 8.360 nan 0.000 0.433 838 L N 2.180 123.309 121.223 -0.158 0.000 2.372 838 L HA 0.355 4.695 4.340 0.000 0.000 0.274 838 L C -0.133 176.651 176.870 -0.143 0.000 0.988 838 L CA -0.935 53.773 54.840 -0.221 0.000 0.833 838 L CB 1.706 43.535 42.059 -0.383 0.000 1.236 838 L HN 0.602 nan 8.230 nan 0.000 0.410 839 K N 3.492 123.864 120.400 -0.048 0.000 2.315 839 K HA 0.440 4.760 4.320 0.000 0.000 0.291 839 K C -0.917 175.736 176.600 0.089 0.000 1.074 839 K CA -0.273 56.044 56.287 0.050 0.000 0.936 839 K CB 0.573 33.154 32.500 0.134 0.000 1.049 839 K HN 0.383 nan 8.250 nan 0.000 0.471 840 V N 4.061 123.974 119.914 -0.002 0.000 2.881 840 V HA 0.481 4.601 4.120 0.000 0.000 0.316 840 V C -0.139 175.955 176.094 -0.001 0.000 1.070 840 V CA -1.041 61.211 62.300 -0.080 0.000 0.976 840 V CB 1.764 33.509 31.823 -0.130 0.000 1.038 840 V HN 0.701 nan 8.190 nan 0.000 0.446 841 R N 1.575 122.029 120.500 -0.077 0.000 2.439 841 R HA 0.722 5.063 4.340 0.000 0.000 0.310 841 R C -1.916 174.386 176.300 0.004 0.000 0.955 841 R CA -0.333 55.752 56.100 -0.025 0.000 0.853 841 R CB 1.889 32.128 30.300 -0.101 0.000 1.171 841 R HN 0.567 nan 8.270 nan 0.000 0.449 842 V N 4.353 124.290 119.914 0.039 0.000 2.448 842 V HA 0.420 4.540 4.120 0.000 0.000 0.295 842 V C -1.025 175.118 176.094 0.083 0.000 1.025 842 V CA -0.460 61.886 62.300 0.075 0.000 0.859 842 V CB 1.757 33.644 31.823 0.107 0.000 0.988 842 V HN 0.910 nan 8.190 nan 0.000 0.431 843 E N 5.416 125.649 120.200 0.056 0.000 2.199 843 E HA 0.463 4.813 4.350 0.000 0.000 0.265 843 E C -1.645 174.914 176.600 -0.069 0.000 0.882 843 E CA -0.929 55.480 56.400 0.014 0.000 0.759 843 E CB 1.962 31.669 29.700 0.012 0.000 1.148 843 E HN 0.681 nan 8.360 nan 0.000 0.412 844 L N 5.122 126.223 121.223 -0.204 0.000 2.305 844 L HA 0.327 4.667 4.340 0.000 0.000 0.281 844 L C -1.408 175.390 176.870 -0.120 0.000 1.085 844 L CA -0.311 54.310 54.840 -0.366 0.000 0.813 844 L CB 0.762 42.346 42.059 -0.790 0.000 1.157 844 L HN 0.573 nan 8.230 nan 0.000 0.436 845 L N 4.669 125.833 121.223 -0.098 0.000 2.375 845 L HA 0.312 4.652 4.340 0.000 0.000 0.271 845 L C -0.241 176.645 176.870 0.028 0.000 1.107 845 L CA -0.180 54.656 54.840 -0.008 0.000 0.806 845 L CB 0.676 42.730 42.059 -0.007 0.000 1.146 845 L HN 0.680 nan 8.230 nan 0.000 0.447 846 H N 2.975 122.046 119.070 0.001 0.000 2.767 846 H HA 0.315 4.871 4.556 0.000 0.000 0.316 846 H C -0.601 174.761 175.328 0.057 0.000 1.059 846 H CA 0.214 56.277 56.048 0.024 0.000 1.461 846 H CB 0.415 30.192 29.762 0.024 0.000 1.475 846 H HN 0.519 nan 8.280 nan 0.000 0.531 847 N N 6.259 124.665 118.700 -0.490 0.000 2.461 847 N HA 0.201 4.942 4.740 0.000 0.000 0.284 847 N C -2.141 173.123 175.510 -0.411 0.000 1.049 847 N CA -2.438 50.394 53.050 -0.362 0.000 0.889 847 N CB 1.924 40.480 38.487 0.115 0.000 1.365 847 N HN 0.394 nan 8.380 nan 0.000 0.499 848 P HA -0.164 nan 4.420 nan 0.000 0.218 848 P C 0.730 177.948 177.300 -0.136 0.000 1.146 848 P CA 1.086 64.087 63.100 -0.165 0.000 0.820 848 P CB 0.243 31.901 31.700 -0.069 0.000 0.778 849 A N -1.949 120.727 122.820 -0.240 0.000 2.168 849 A HA 0.057 4.377 4.320 0.000 0.000 0.215 849 A C 0.800 178.025 177.584 -0.598 0.000 1.152 849 A CA 0.494 52.273 52.037 -0.430 0.000 0.716 849 A CB -0.821 17.822 19.000 -0.595 0.000 0.794 849 A HN 0.129 nan 8.150 nan 0.000 0.465 850 F N -2.426 117.478 119.950 -0.075 0.000 2.508 850 F HA 0.439 4.966 4.527 0.000 0.000 0.325 850 F C 0.130 175.916 175.800 -0.022 0.000 1.090 850 F CA -0.979 56.989 58.000 -0.053 0.000 0.945 850 F CB 1.600 40.561 39.000 -0.066 0.000 1.156 850 F HN -0.112 nan 8.300 nan 0.000 0.463 851 c N 3.959 122.667 118.600 0.180 0.000 2.184 851 c HA 0.701 5.271 4.570 0.000 0.000 0.328 851 c C 0.156 174.280 174.090 0.056 0.000 1.081 851 c CA -0.276 56.109 56.329 0.095 0.000 1.533 851 c CB -2.008 40.529 42.510 0.045 0.000 1.905 851 c HN 0.872 nan 8.230 nan 0.000 0.439 852 S N 4.471 120.201 115.700 0.049 0.000 2.921 852 S HA 0.543 5.013 4.470 0.000 0.000 0.315 852 S C 0.706 175.249 174.600 -0.094 0.000 1.087 852 S CA -0.722 57.460 58.200 -0.029 0.000 0.877 852 S CB 0.667 63.852 63.200 -0.024 0.000 1.340 852 S HN 0.530 nan 8.310 nan 0.000 0.622 853 L N 0.616 121.694 121.223 -0.241 0.000 2.179 853 L HA 0.258 4.598 4.340 0.000 0.000 0.208 853 L C 1.454 178.210 176.870 -0.189 0.000 1.096 853 L CA 0.841 55.481 54.840 -0.333 0.000 0.779 853 L CB -0.607 41.001 42.059 -0.752 0.000 0.922 853 L HN 0.813 nan 8.230 nan 0.000 0.443 854 A N 0.255 123.016 122.820 -0.097 0.000 2.404 854 A HA 0.415 4.736 4.320 0.000 0.000 0.273 854 A C 0.433 178.040 177.584 0.038 0.000 1.144 854 A CA 0.003 52.063 52.037 0.038 0.000 0.806 854 A CB -0.070 19.002 19.000 0.119 0.000 1.080 854 A HN 0.353 nan 8.150 nan 0.000 0.509 855 T N -1.136 113.349 114.554 -0.114 0.000 2.768 855 T HA 0.526 4.876 4.350 0.000 0.000 0.268 855 T C 1.508 175.845 174.700 -0.606 0.000 0.969 855 T CA 0.278 62.108 62.100 -0.450 0.000 1.008 855 T CB 0.292 68.994 68.868 -0.276 0.000 1.371 855 T HN 0.894 nan 8.240 nan 0.000 0.587 856 T N -0.424 113.707 114.554 -0.705 0.000 2.652 856 T HA -0.075 4.275 4.350 0.000 0.000 0.267 856 T C 1.386 176.004 174.700 -0.136 0.000 1.039 856 T CA 1.050 62.952 62.100 -0.329 0.000 1.153 856 T CB -0.591 68.171 68.868 -0.176 0.000 0.863 856 T HN 0.653 nan 8.240 nan 0.000 0.428 857 K N 0.473 120.802 120.400 -0.118 0.000 2.372 857 K HA 0.305 4.625 4.320 0.000 0.000 0.200 857 K C 0.612 177.186 176.600 -0.044 0.000 1.022 857 K CA -0.250 56.003 56.287 -0.057 0.000 1.125 857 K CB 0.568 33.041 32.500 -0.043 0.000 0.855 857 K HN 0.244 nan 8.250 nan 0.000 0.524 858 R N 1.277 121.744 120.500 -0.055 0.000 2.574 858 R HA 0.290 4.630 4.340 0.000 0.000 0.288 858 R C -1.017 175.290 176.300 0.011 0.000 1.004 858 R CA -0.559 55.529 56.100 -0.020 0.000 0.895 858 R CB 1.417 31.699 30.300 -0.030 0.000 1.191 858 R HN 0.006 nan 8.270 nan 0.000 0.444 859 R N 1.485 122.013 120.500 0.046 0.000 2.549 859 R HA 0.196 4.536 4.340 0.000 0.000 0.267 859 R C -0.092 176.302 176.300 0.157 0.000 1.045 859 R CA -0.547 55.603 56.100 0.084 0.000 1.115 859 R CB 1.014 31.356 30.300 0.069 0.000 1.121 859 R HN 0.557 nan 8.270 nan 0.000 0.543 860 H N 2.095 121.192 119.070 0.045 0.000 2.418 860 H HA 0.103 4.660 4.556 0.000 0.000 0.238 860 H C -1.019 174.385 175.328 0.126 0.000 1.403 860 H CA -0.490 55.607 56.048 0.082 0.000 1.419 860 H CB 0.571 30.379 29.762 0.076 0.000 1.463 860 H HN 0.524 nan 8.280 nan 0.000 0.515 861 Q N 2.859 122.695 119.800 0.061 0.000 2.322 861 Q HA 0.360 4.700 4.340 0.000 0.000 0.265 861 Q C -1.169 174.846 176.000 0.026 0.000 0.985 861 Q CA -1.227 54.591 55.803 0.024 0.000 0.849 861 Q CB 2.476 31.247 28.738 0.055 0.000 1.274 861 Q HN 0.383 nan 8.270 nan 0.000 0.449 862 Q N 1.303 121.101 119.800 -0.002 0.000 2.230 862 Q HA 0.429 4.769 4.340 0.000 0.000 0.253 862 Q C -0.890 175.120 176.000 0.017 0.000 0.919 862 Q CA -0.196 55.610 55.803 0.005 0.000 0.908 862 Q CB 2.152 30.863 28.738 -0.045 0.000 1.245 862 Q HN 0.592 nan 8.270 nan 0.000 0.437 863 T N 1.969 116.518 114.554 -0.007 0.000 2.756 863 T HA 0.608 4.959 4.350 0.000 0.000 0.290 863 T C -0.652 173.996 174.700 -0.087 0.000 0.985 863 T CA -0.665 61.423 62.100 -0.019 0.000 0.955 863 T CB 0.318 69.158 68.868 -0.045 0.000 0.930 863 T HN 0.450 nan 8.240 nan 0.000 0.451 864 V N 0.712 120.602 119.914 -0.040 0.000 3.049 864 V HA 0.830 4.950 4.120 0.000 0.000 0.309 864 V C -0.408 175.655 176.094 -0.051 0.000 1.148 864 V CA -1.023 61.244 62.300 -0.055 0.000 0.990 864 V CB 2.091 33.889 31.823 -0.041 0.000 1.039 864 V HN 0.703 nan 8.190 nan 0.000 0.430 865 T N 3.795 118.311 114.554 -0.063 0.000 2.797 865 T HA 0.756 5.107 4.350 0.000 0.000 0.279 865 T C -0.350 174.301 174.700 -0.081 0.000 0.991 865 T CA -0.098 61.960 62.100 -0.069 0.000 0.979 865 T CB 1.120 69.948 68.868 -0.066 0.000 0.943 865 T HN 0.648 nan 8.240 nan 0.000 0.444 866 I N 4.739 125.251 120.570 -0.097 0.000 2.382 866 I HA 0.335 4.505 4.170 0.000 0.000 0.286 866 I C -2.440 173.616 176.117 -0.102 0.000 1.002 866 I CA -2.709 58.529 61.300 -0.104 0.000 1.135 866 I CB 1.969 39.901 38.000 -0.113 0.000 1.288 866 I HN 0.309 nan 8.210 nan 0.000 0.448 867 P HA 0.180 nan 4.420 nan 0.000 0.272 867 P C -2.534 174.727 177.300 -0.066 0.000 1.230 867 P CA -1.292 61.764 63.100 -0.073 0.000 0.788 867 P CB -0.225 31.433 31.700 -0.070 0.000 0.949 868 P HA 0.024 nan 4.420 nan 0.000 0.265 868 P C -0.357 176.942 177.300 -0.001 0.000 1.193 868 P CA 0.418 63.506 63.100 -0.020 0.000 0.765 868 P CB 0.012 31.711 31.700 -0.002 0.000 0.823 869 K N -0.465 119.944 120.400 0.015 0.000 3.167 869 K HA -0.108 4.212 4.320 0.000 0.000 0.272 869 K C -0.078 176.534 176.600 0.020 0.000 1.137 869 K CA 0.801 57.129 56.287 0.069 0.000 0.800 869 K CB -2.041 30.527 32.500 0.113 0.000 1.253 869 K HN 0.738 nan 8.250 nan 0.000 0.497 870 S N -1.675 113.972 115.700 -0.088 0.000 2.685 870 S HA 0.765 5.235 4.470 0.000 0.000 0.282 870 S C -0.362 174.108 174.600 -0.217 0.000 1.159 870 S CA -0.383 57.767 58.200 -0.082 0.000 0.833 870 S CB 2.328 65.506 63.200 -0.035 0.000 1.151 870 S HN 0.299 nan 8.310 nan 0.000 0.485 871 S N 0.048 115.620 115.700 -0.213 0.000 2.648 871 S HA 0.851 5.321 4.470 0.000 0.000 0.305 871 S C -1.206 173.221 174.600 -0.289 0.000 1.094 871 S CA -0.793 57.144 58.200 -0.438 0.000 0.983 871 S CB 1.292 64.073 63.200 -0.698 0.000 1.101 871 S HN 1.183 nan 8.310 nan 0.000 0.514 872 L N 1.330 122.358 121.223 -0.326 0.000 2.439 872 L HA 0.630 4.970 4.340 0.000 0.000 0.270 872 L C -0.373 176.391 176.870 -0.177 0.000 0.972 872 L CA -0.112 54.615 54.840 -0.188 0.000 0.836 872 L CB 2.022 44.002 42.059 -0.131 0.000 1.255 872 L HN 0.875 nan 8.230 nan 0.000 0.404 873 S N 3.431 119.056 115.700 -0.125 0.000 2.523 873 S HA 0.703 5.174 4.470 0.000 0.000 0.275 873 S C -0.694 173.848 174.600 -0.096 0.000 1.281 873 S CA -0.357 57.784 58.200 -0.097 0.000 1.050 873 S CB 0.537 63.702 63.200 -0.060 0.000 0.937 873 S HN 0.476 nan 8.310 nan 0.000 0.492 874 V N 8.484 128.329 119.914 -0.115 0.000 2.443 874 V HA 0.474 4.594 4.120 0.000 0.000 0.293 874 V C -2.290 173.634 176.094 -0.284 0.000 1.021 874 V CA -1.718 60.456 62.300 -0.210 0.000 0.848 874 V CB 1.841 33.527 31.823 -0.228 0.000 0.998 874 V HN 0.746 nan 8.190 nan 0.000 0.424 875 P HA 0.506 nan 4.420 nan 0.000 0.294 875 P C -1.715 175.370 177.300 -0.359 0.000 1.294 875 P CA -0.505 62.467 63.100 -0.212 0.000 0.827 875 P CB 0.950 32.595 31.700 -0.091 0.000 0.992 876 Y N 0.755 121.086 120.300 0.052 0.000 2.442 876 Y HA 0.404 4.954 4.550 0.000 0.000 0.344 876 Y C 0.334 176.265 175.900 0.050 0.000 0.976 876 Y CA -1.095 57.054 58.100 0.081 0.000 1.040 876 Y CB 2.281 40.779 38.460 0.063 0.000 1.228 876 Y HN 0.212 nan 8.280 nan 0.000 0.451 877 V N 4.151 124.183 119.914 0.197 0.000 2.483 877 V HA 0.877 4.997 4.120 0.000 0.000 0.295 877 V C -0.459 175.648 176.094 0.022 0.000 1.035 877 V CA -0.595 61.751 62.300 0.077 0.000 0.896 877 V CB 0.979 32.789 31.823 -0.022 0.000 0.986 877 V HN 0.750 nan 8.190 nan 0.000 0.447 878 I N 2.485 123.054 120.570 -0.001 0.000 3.279 878 I HA 0.935 5.105 4.170 0.000 0.000 0.315 878 I C -1.329 174.815 176.117 0.044 0.000 1.187 878 I CA -1.303 60.001 61.300 0.007 0.000 0.953 878 I CB 2.557 40.524 38.000 -0.055 0.000 1.279 878 I HN 0.443 nan 8.210 nan 0.000 0.465 879 V N 1.785 121.777 119.914 0.129 0.000 2.577 879 V HA 0.401 4.521 4.120 0.000 0.000 0.294 879 V C -2.627 173.572 176.094 0.176 0.000 1.052 879 V CA -1.161 61.207 62.300 0.114 0.000 0.891 879 V CB 1.640 33.480 31.823 0.029 0.000 1.017 879 V HN 0.631 nan 8.190 nan 0.000 0.436 880 P HA 0.310 nan 4.420 nan 0.000 0.276 880 P C 0.220 177.463 177.300 -0.094 0.000 1.243 880 P CA 0.045 63.123 63.100 -0.037 0.000 0.768 880 P CB 1.469 33.187 31.700 0.029 0.000 0.856 881 L N 2.639 123.757 121.223 -0.176 0.000 2.609 881 L HA 0.215 4.555 4.340 0.000 0.000 0.230 881 L C 1.086 177.894 176.870 -0.104 0.000 1.087 881 L CA 0.378 55.159 54.840 -0.098 0.000 0.874 881 L CB -0.293 41.724 42.059 -0.070 0.000 1.114 881 L HN 0.379 nan 8.230 nan 0.000 0.488 882 K N 0.192 120.492 120.400 -0.166 0.000 2.468 882 K HA 0.492 4.812 4.320 0.000 0.000 0.252 882 K C -0.396 176.119 176.600 -0.141 0.000 0.932 882 K CA -0.640 55.569 56.287 -0.131 0.000 0.794 882 K CB 1.691 34.117 32.500 -0.123 0.000 1.241 882 K HN -0.113 nan 8.250 nan 0.000 0.428 883 T N -0.623 113.872 114.554 -0.099 0.000 2.813 883 T HA 0.630 4.980 4.350 0.000 0.000 0.297 883 T C 0.784 175.433 174.700 -0.085 0.000 1.036 883 T CA 0.330 62.376 62.100 -0.090 0.000 1.044 883 T CB 0.884 69.707 68.868 -0.074 0.000 0.993 883 T HN 1.199 nan 8.240 nan 0.000 0.535 884 G N 0.148 108.902 108.800 -0.077 0.000 2.409 884 G HA2 0.080 4.040 3.960 0.000 0.000 0.421 884 G HA3 0.080 4.040 3.960 0.000 0.000 0.421 884 G C -0.912 173.953 174.900 -0.059 0.000 1.259 884 G CA -0.509 44.554 45.100 -0.060 0.000 1.011 884 G HN 1.125 nan 8.290 nan 0.000 0.497 885 L N 1.571 122.770 121.223 -0.039 0.000 2.415 885 L HA 0.397 4.737 4.340 0.000 0.000 0.269 885 L C 0.899 177.764 176.870 -0.008 0.000 1.244 885 L CA -0.074 54.754 54.840 -0.022 0.000 1.113 885 L CB -0.233 41.822 42.059 -0.007 0.000 1.352 885 L HN 0.534 nan 8.230 nan 0.000 0.433 886 Q N 2.471 122.271 119.800 -0.000 0.000 2.222 886 Q HA 0.371 4.712 4.340 0.000 0.000 0.211 886 Q C -0.409 175.696 176.000 0.176 0.000 1.013 886 Q CA -0.285 55.535 55.803 0.029 0.000 0.993 886 Q CB 1.084 29.735 28.738 -0.144 0.000 1.151 886 Q HN 0.569 nan 8.270 nan 0.000 0.544 887 E N 0.068 120.451 120.200 0.304 0.000 2.260 887 E HA 0.432 4.782 4.350 0.000 0.000 0.266 887 E C -1.532 175.181 176.600 0.189 0.000 0.887 887 E CA -0.387 56.139 56.400 0.211 0.000 0.777 887 E CB 1.607 31.373 29.700 0.111 0.000 1.205 887 E HN 0.243 nan 8.360 nan 0.000 0.414 888 V N 3.671 123.563 119.914 -0.037 0.000 2.612 888 V HA 0.496 4.616 4.120 0.000 0.000 0.301 888 V C -0.294 175.734 176.094 -0.109 0.000 1.046 888 V CA -0.404 61.764 62.300 -0.220 0.000 0.946 888 V CB 1.687 33.291 31.823 -0.365 0.000 1.003 888 V HN 0.761 nan 8.190 nan 0.000 0.459 889 E N 2.597 122.724 120.200 -0.121 0.000 2.349 889 E HA 0.501 4.851 4.350 0.000 0.000 0.290 889 E C -1.727 174.820 176.600 -0.089 0.000 0.901 889 E CA -0.446 55.915 56.400 -0.065 0.000 0.800 889 E CB 2.192 31.880 29.700 -0.020 0.000 1.303 889 E HN 0.602 nan 8.360 nan 0.000 0.397 890 V N 1.098 120.973 119.914 -0.066 0.000 2.715 890 V HA 0.741 4.861 4.120 0.000 0.000 0.310 890 V C -0.764 175.327 176.094 -0.005 0.000 1.054 890 V CA -0.661 61.603 62.300 -0.059 0.000 0.928 890 V CB 1.761 33.562 31.823 -0.037 0.000 1.007 890 V HN 0.588 nan 8.190 nan 0.000 0.437 891 K N 2.320 122.722 120.400 0.004 0.000 2.340 891 K HA 0.939 5.259 4.320 0.000 0.000 0.244 891 K C -0.876 175.750 176.600 0.043 0.000 0.973 891 K CA -0.597 55.703 56.287 0.022 0.000 0.828 891 K CB 2.461 34.966 32.500 0.010 0.000 1.226 891 K HN 1.201 nan 8.250 nan 0.000 0.437 892 A N 0.696 123.555 122.820 0.066 0.000 2.547 892 A HA 0.795 5.115 4.320 0.000 0.000 0.297 892 A C -1.794 175.879 177.584 0.148 0.000 1.056 892 A CA -0.597 51.513 52.037 0.122 0.000 0.688 892 A CB 1.808 20.944 19.000 0.226 0.000 1.282 892 A HN 0.699 nan 8.150 nan 0.000 0.400 893 A N 0.739 123.576 122.820 0.028 0.000 2.498 893 A HA 0.850 5.170 4.320 0.000 0.000 0.298 893 A C -0.291 177.137 177.584 -0.260 0.000 1.075 893 A CA -0.050 51.936 52.037 -0.086 0.000 0.714 893 A CB 1.267 20.155 19.000 -0.188 0.000 1.299 893 A HN 2.279 nan 8.150 nan 0.000 0.407 894 V N -0.909 118.825 119.914 -0.301 0.000 2.713 894 V HA 0.727 4.848 4.120 0.000 0.000 0.307 894 V C -0.715 175.208 176.094 -0.285 0.000 1.052 894 V CA -0.862 61.234 62.300 -0.339 0.000 0.967 894 V CB 0.842 32.431 31.823 -0.388 0.000 1.019 894 V HN 0.709 nan 8.190 nan 0.000 0.459 895 Y N 3.528 123.761 120.300 -0.112 0.000 2.299 895 Y HA 0.460 5.010 4.550 0.000 0.000 0.326 895 Y C 1.346 177.246 175.900 0.001 0.000 1.164 895 Y CA 0.867 58.842 58.100 -0.208 0.000 1.234 895 Y CB 0.475 38.723 38.460 -0.352 0.000 1.219 895 Y HN 0.942 nan 8.280 nan 0.000 0.497 896 H N -0.489 118.750 119.070 0.282 0.000 3.642 896 H HA -0.206 4.350 4.556 0.000 0.000 0.185 896 H C -0.662 174.675 175.328 0.014 0.000 0.992 896 H CA 1.178 57.322 56.048 0.160 0.000 1.216 896 H CB -1.515 28.328 29.762 0.136 0.000 1.055 896 H HN 0.743 nan 8.280 nan 0.000 0.351 897 H N -1.169 117.974 119.070 0.123 0.000 2.834 897 H HA 0.414 4.970 4.556 0.000 0.000 0.369 897 H C -0.510 174.887 175.328 0.114 0.000 1.174 897 H CA -0.803 55.317 56.048 0.119 0.000 1.165 897 H CB 0.697 30.504 29.762 0.074 0.000 1.820 897 H HN 0.034 nan 8.280 nan 0.000 0.558 898 F N 2.256 122.295 119.950 0.147 0.000 2.894 898 F HA 0.329 4.856 4.527 0.000 0.000 0.310 898 F C -0.938 174.926 175.800 0.107 0.000 1.204 898 F CA -0.274 57.783 58.000 0.094 0.000 1.290 898 F CB -0.051 38.990 39.000 0.069 0.000 1.317 898 F HN 0.247 nan 8.300 nan 0.000 0.545 899 I N 1.731 122.348 120.570 0.079 0.000 2.389 899 I HA 0.359 4.530 4.170 0.000 0.000 0.288 899 I C -0.239 175.924 176.117 0.077 0.000 0.999 899 I CA -0.438 60.932 61.300 0.118 0.000 1.129 899 I CB 1.133 39.211 38.000 0.130 0.000 1.288 899 I HN 0.242 nan 8.210 nan 0.000 0.444 900 S N 3.831 119.605 115.700 0.124 0.000 2.564 900 S HA 0.809 5.279 4.470 0.000 0.000 0.274 900 S C -1.338 173.346 174.600 0.141 0.000 1.124 900 S CA -0.763 57.503 58.200 0.111 0.000 0.869 900 S CB 3.215 66.383 63.200 -0.053 0.000 1.105 900 S HN 0.560 nan 8.310 nan 0.000 0.472 901 D N -0.769 119.695 120.400 0.107 0.000 2.753 901 D HA 0.688 5.329 4.640 0.000 0.000 0.224 901 D C -0.711 175.606 176.300 0.028 0.000 1.213 901 D CA -0.055 53.963 54.000 0.030 0.000 0.833 901 D CB 2.006 42.743 40.800 -0.105 0.000 1.607 901 D HN 0.986 nan 8.370 nan 0.000 0.463 902 G N 0.545 109.369 108.800 0.040 0.000 2.701 902 G HA2 0.553 4.513 3.960 0.000 0.000 0.300 902 G HA3 0.553 4.513 3.960 0.000 0.000 0.300 902 G C -1.536 173.414 174.900 0.083 0.000 1.410 902 G CA -0.540 44.589 45.100 0.047 0.000 1.014 902 G HN 0.382 nan 8.290 nan 0.000 0.509 903 V N 2.086 122.047 119.914 0.079 0.000 2.407 903 V HA 0.526 4.646 4.120 0.000 0.000 0.291 903 V C 0.106 176.253 176.094 0.089 0.000 1.018 903 V CA -0.820 61.552 62.300 0.119 0.000 0.842 903 V CB 1.528 33.381 31.823 0.051 0.000 0.996 903 V HN 0.747 nan 8.190 nan 0.000 0.426 904 R N 4.299 124.898 120.500 0.166 0.000 2.287 904 R HA 0.505 4.845 4.340 0.000 0.000 0.316 904 R C -0.533 175.856 176.300 0.147 0.000 1.050 904 R CA -0.415 55.755 56.100 0.117 0.000 0.983 904 R CB 0.664 31.025 30.300 0.103 0.000 1.140 904 R HN 0.643 nan 8.270 nan 0.000 0.528 905 K N 1.322 121.746 120.400 0.041 0.000 2.259 905 K HA 0.434 4.754 4.320 0.000 0.000 0.249 905 K C -0.795 175.817 176.600 0.019 0.000 0.942 905 K CA -0.712 55.581 56.287 0.010 0.000 0.816 905 K CB 2.317 34.747 32.500 -0.117 0.000 1.155 905 K HN 0.373 nan 8.250 nan 0.000 0.428 906 S N 1.880 117.603 115.700 0.038 0.000 2.593 906 S HA 0.629 5.100 4.470 0.000 0.000 0.297 906 S C -0.902 173.710 174.600 0.019 0.000 1.112 906 S CA -0.961 57.265 58.200 0.044 0.000 1.043 906 S CB 0.814 64.046 63.200 0.052 0.000 1.054 906 S HN 0.531 nan 8.310 nan 0.000 0.516 907 L N -0.683 120.554 121.223 0.023 0.000 2.445 907 L HA 0.677 5.017 4.340 0.000 0.000 0.262 907 L C -1.193 175.642 176.870 -0.059 0.000 0.974 907 L CA -1.084 53.737 54.840 -0.031 0.000 0.822 907 L CB 1.564 43.612 42.059 -0.019 0.000 1.339 907 L HN 0.363 nan 8.230 nan 0.000 0.409 908 K N 2.617 122.907 120.400 -0.183 0.000 2.349 908 K HA 0.432 4.752 4.320 0.000 0.000 0.288 908 K C -0.822 175.685 176.600 -0.154 0.000 1.058 908 K CA -0.546 55.626 56.287 -0.191 0.000 0.953 908 K CB 1.815 34.125 32.500 -0.317 0.000 0.997 908 K HN 0.445 nan 8.250 nan 0.000 0.477 909 V N 4.285 124.142 119.914 -0.095 0.000 2.370 909 V HA 0.217 4.337 4.120 0.000 0.000 0.279 909 V C -0.007 176.032 176.094 -0.092 0.000 1.029 909 V CA -0.824 61.430 62.300 -0.077 0.000 0.870 909 V CB 1.458 33.240 31.823 -0.068 0.000 0.984 909 V HN 0.453 nan 8.190 nan 0.000 0.451 910 V N 7.695 127.554 119.914 -0.092 0.000 2.715 910 V HA 0.495 4.615 4.120 0.000 0.000 0.310 910 V C -1.719 174.311 176.094 -0.107 0.000 1.054 910 V CA -1.555 60.675 62.300 -0.116 0.000 0.928 910 V CB 2.228 33.974 31.823 -0.128 0.000 1.007 910 V HN 0.696 nan 8.190 nan 0.000 0.437 911 P HA 0.170 nan 4.420 nan 0.000 0.335 911 P C -0.776 176.471 177.300 -0.090 0.000 1.379 911 P CA -0.125 62.915 63.100 -0.099 0.000 0.794 911 P CB 0.654 32.291 31.700 -0.105 0.000 1.849 912 E N -1.343 118.818 120.200 -0.065 0.000 2.279 912 E HA 0.658 5.008 4.350 0.000 0.000 0.252 912 E C -0.291 176.294 176.600 -0.024 0.000 0.894 912 E CA -0.592 55.786 56.400 -0.036 0.000 0.785 912 E CB 1.300 30.992 29.700 -0.013 0.000 1.237 912 E HN 0.670 nan 8.360 nan 0.000 0.418 913 G N 1.701 110.490 108.800 -0.018 0.000 2.441 913 G HA2 0.430 4.390 3.960 0.000 0.000 0.294 913 G HA3 0.430 4.390 3.960 0.000 0.000 0.294 913 G C -1.768 173.146 174.900 0.023 0.000 1.393 913 G CA -0.767 44.337 45.100 0.007 0.000 0.796 913 G HN 0.432 nan 8.290 nan 0.000 0.494 914 I N 0.424 120.999 120.570 0.008 0.000 2.493 914 I HA 0.538 4.708 4.170 0.000 0.000 0.298 914 I C 0.056 176.139 176.117 -0.057 0.000 0.998 914 I CA -1.231 60.065 61.300 -0.006 0.000 1.137 914 I CB 1.364 39.354 38.000 -0.017 0.000 1.310 914 I HN 0.304 nan 8.210 nan 0.000 0.445 915 R N 7.783 128.255 120.500 -0.046 0.000 2.446 915 R HA 0.256 4.596 4.340 0.000 0.000 0.314 915 R C -0.842 175.346 176.300 -0.187 0.000 1.003 915 R CA 0.268 56.284 56.100 -0.139 0.000 1.018 915 R CB 0.237 30.490 30.300 -0.079 0.000 0.945 915 R HN 0.549 nan 8.270 nan 0.000 0.419 916 M N 2.962 122.355 119.600 -0.345 0.000 2.326 916 M HA 0.251 4.731 4.480 0.000 0.000 0.306 916 M C -0.673 175.553 176.300 -0.122 0.000 1.054 916 M CA -1.273 53.874 55.300 -0.254 0.000 0.922 916 M CB 2.106 34.515 32.600 -0.319 0.000 1.632 916 M HN 0.384 nan 8.290 nan 0.000 0.436 917 N N 2.500 121.207 118.700 0.012 0.000 2.407 917 N HA 0.521 5.261 4.740 0.000 0.000 0.277 917 N C -1.419 174.156 175.510 0.108 0.000 0.995 917 N CA -0.749 52.347 53.050 0.077 0.000 0.903 917 N CB 1.621 40.126 38.487 0.031 0.000 1.218 917 N HN 0.400 nan 8.380 nan 0.000 0.487 918 K N 0.766 121.253 120.400 0.144 0.000 2.259 918 K HA 0.500 4.820 4.320 0.000 0.000 0.252 918 K C -0.685 175.949 176.600 0.057 0.000 0.936 918 K CA -0.807 55.539 56.287 0.097 0.000 0.810 918 K CB 1.896 34.455 32.500 0.099 0.000 1.143 918 K HN 0.435 nan 8.250 nan 0.000 0.427 919 T N 1.683 116.261 114.554 0.039 0.000 2.771 919 T HA 0.114 4.464 4.350 0.000 0.000 0.291 919 T C 1.194 175.904 174.700 0.016 0.000 0.954 919 T CA -0.486 61.631 62.100 0.028 0.000 1.045 919 T CB 1.199 70.080 68.868 0.023 0.000 0.917 919 T HN 0.264 nan 8.240 nan 0.000 0.484 920 V N 1.820 121.744 119.914 0.017 0.000 2.521 920 V HA 0.473 4.593 4.120 0.000 0.000 0.239 920 V C 0.901 176.987 176.094 -0.014 0.000 1.053 920 V CA 0.608 62.908 62.300 0.001 0.000 1.073 920 V CB -0.193 31.639 31.823 0.014 0.000 0.746 920 V HN 0.972 nan 8.190 nan 0.000 0.476 921 A N 0.316 123.133 122.820 -0.005 0.000 2.488 921 A HA 0.680 5.000 4.320 0.000 0.000 0.295 921 A C -1.165 176.418 177.584 -0.001 0.000 1.045 921 A CA -0.304 51.720 52.037 -0.021 0.000 0.703 921 A CB 1.920 20.882 19.000 -0.062 0.000 1.271 921 A HN 0.625 nan 8.150 nan 0.000 0.400 922 V N 0.955 120.866 119.914 -0.005 0.000 2.385 922 V HA 0.718 4.838 4.120 0.000 0.000 0.277 922 V C -0.534 175.559 176.094 -0.001 0.000 1.012 922 V CA -0.921 61.381 62.300 0.003 0.000 0.832 922 V CB 0.718 32.546 31.823 0.007 0.000 1.028 922 V HN 0.808 nan 8.190 nan 0.000 0.436 923 R N 1.875 122.374 120.500 -0.001 0.000 2.778 923 R HA 0.670 5.010 4.340 0.000 0.000 0.277 923 R C -0.433 175.870 176.300 0.004 0.000 0.977 923 R CA -0.640 55.458 56.100 -0.003 0.000 0.950 923 R CB 1.919 32.213 30.300 -0.011 0.000 1.165 923 R HN 0.615 nan 8.270 nan 0.000 0.474 924 T N 2.968 117.524 114.554 0.003 0.000 2.727 924 T HA 0.307 4.657 4.350 0.000 0.000 0.298 924 T C 0.543 175.246 174.700 0.006 0.000 0.942 924 T CA -0.469 61.635 62.100 0.006 0.000 0.997 924 T CB 0.279 69.149 68.868 0.005 0.000 0.917 924 T HN 0.200 nan 8.240 nan 0.000 0.487 925 L N 4.393 125.622 121.223 0.010 0.000 2.385 925 L HA 0.335 4.675 4.340 0.000 0.000 0.285 925 L C 0.227 177.101 176.870 0.007 0.000 1.125 925 L CA -0.125 54.721 54.840 0.010 0.000 0.890 925 L CB 0.043 42.112 42.059 0.016 0.000 1.251 925 L HN 0.583 nan 8.230 nan 0.000 0.445 926 D N 4.841 125.243 120.400 0.004 0.000 2.328 926 D HA 0.285 4.925 4.640 0.000 0.000 0.243 926 D C -2.642 173.659 176.300 0.001 0.000 1.324 926 D CA -1.611 52.390 54.000 0.002 0.000 0.966 926 D CB 1.928 42.728 40.800 0.001 0.000 1.324 926 D HN 0.033 nan 8.370 nan 0.000 0.549 927 P HA 0.162 nan 4.420 nan 0.000 0.266 927 P C 0.252 177.553 177.300 0.001 0.000 1.195 927 P CA 0.394 63.495 63.100 0.002 0.000 0.768 927 P CB 0.862 32.563 31.700 0.002 0.000 0.838 928 E N -0.468 119.733 120.200 0.003 0.000 3.943 928 E HA -0.191 4.160 4.350 0.000 0.000 0.159 928 E C 0.107 176.709 176.600 0.004 0.000 1.001 928 E CA 0.509 56.911 56.400 0.004 0.000 2.707 928 E CB -1.183 28.519 29.700 0.003 0.000 1.555 928 E HN 0.440 nan 8.360 nan 0.000 0.602 929 R N 2.033 122.535 120.500 0.003 0.000 2.309 929 R HA 0.292 4.633 4.340 0.000 0.000 0.331 929 R C 1.002 177.303 176.300 0.002 0.000 1.116 929 R CA 0.650 56.751 56.100 0.003 0.000 0.970 929 R CB -0.003 30.299 30.300 0.002 0.000 1.024 929 R HN 0.315 nan 8.270 nan 0.000 0.472 930 L N 1.044 122.268 121.223 0.002 0.000 4.749 930 L HA -0.313 4.028 4.340 0.000 0.000 0.383 930 L C 1.206 178.077 176.870 0.001 0.000 0.807 930 L CA 1.628 56.469 54.840 0.001 0.000 2.464 930 L CB -1.228 40.831 42.059 0.000 0.000 0.940 930 L HN 0.834 nan 8.230 nan 0.000 0.659 931 G N 1.606 110.407 108.800 0.001 0.000 2.469 931 G HA2 0.286 4.247 3.960 0.000 0.000 0.293 931 G HA3 0.286 4.247 3.960 0.000 0.000 0.293 931 G C 0.462 175.363 174.900 0.002 0.000 0.982 931 G CA -0.136 44.965 45.100 0.001 0.000 1.401 931 G HN 0.258 nan 8.290 nan 0.000 0.453 932 R N 1.565 122.066 120.500 0.002 0.000 2.924 932 R HA -0.028 4.312 4.340 0.000 0.000 0.272 932 R C 1.306 177.608 176.300 0.004 0.000 1.012 932 R CA 0.181 56.283 56.100 0.003 0.000 1.171 932 R CB 0.796 31.097 30.300 0.002 0.000 1.086 932 R HN 0.631 nan 8.270 nan 0.000 0.489 933 E N 0.641 120.844 120.200 0.005 0.000 2.171 933 E HA -0.134 4.216 4.350 0.000 0.000 0.197 933 E C 0.837 177.441 176.600 0.006 0.000 0.997 933 E CA 1.108 57.512 56.400 0.006 0.000 0.810 933 E CB -0.132 29.572 29.700 0.006 0.000 0.738 933 E HN 0.705 nan 8.360 nan 0.000 0.467 934 G N 2.386 111.189 108.800 0.005 0.000 2.690 934 G HA2 0.226 4.186 3.960 0.000 0.000 0.294 934 G HA3 0.226 4.186 3.960 0.000 0.000 0.294 934 G C 0.495 175.398 174.900 0.005 0.000 0.793 934 G CA -0.282 44.821 45.100 0.005 0.000 1.818 934 G HN 0.101 nan 8.290 nan 0.000 0.515 935 V N 0.843 120.761 119.914 0.006 0.000 2.923 935 V HA -0.145 3.975 4.120 0.000 0.000 0.286 935 V C 0.829 176.927 176.094 0.007 0.000 1.376 935 V CA -0.177 62.127 62.300 0.007 0.000 1.423 935 V CB -0.133 31.695 31.823 0.009 0.000 0.865 935 V HN 0.799 nan 8.190 nan 0.000 0.514 936 Q N 3.418 123.222 119.800 0.006 0.000 2.304 936 Q HA 0.083 4.423 4.340 0.000 0.000 0.315 936 Q C -0.122 175.883 176.000 0.007 0.000 1.075 936 Q CA 0.605 56.411 55.803 0.005 0.000 0.988 936 Q CB 0.305 29.046 28.738 0.005 0.000 1.146 936 Q HN 0.869 nan 8.270 nan 0.000 0.383 937 K N 3.451 123.853 120.400 0.002 0.000 2.221 937 K HA 0.412 4.732 4.320 0.000 0.000 0.258 937 K C -1.087 175.508 176.600 -0.009 0.000 0.944 937 K CA -0.753 55.534 56.287 0.001 0.000 0.823 937 K CB 1.714 34.214 32.500 -0.001 0.000 1.113 937 K HN 0.360 nan 8.250 nan 0.000 0.431 938 E N 2.070 122.261 120.200 -0.015 0.000 2.279 938 E HA 0.165 4.515 4.350 0.000 0.000 0.252 938 E C -1.605 174.949 176.600 -0.077 0.000 0.894 938 E CA -0.549 55.828 56.400 -0.038 0.000 0.785 938 E CB 0.837 30.519 29.700 -0.030 0.000 1.237 938 E HN 0.365 nan 8.360 nan 0.000 0.418 939 D N 4.004 124.352 120.400 -0.086 0.000 2.325 939 D HA 0.238 4.878 4.640 0.000 0.000 0.251 939 D C -0.074 176.111 176.300 -0.191 0.000 1.196 939 D CA 0.185 54.112 54.000 -0.123 0.000 0.866 939 D CB 0.590 41.340 40.800 -0.083 0.000 1.101 939 D HN 0.414 nan 8.370 nan 0.000 0.476 940 I N 4.890 125.259 120.570 -0.335 0.000 2.355 940 I HA 0.234 4.404 4.170 0.000 0.000 0.288 940 I C -2.106 173.780 176.117 -0.386 0.000 0.999 940 I CA -2.056 58.974 61.300 -0.450 0.000 1.163 940 I CB 2.017 39.502 38.000 -0.860 0.000 1.316 940 I HN 0.051 nan 8.210 nan 0.000 0.454 941 P HA 0.354 nan 4.420 nan 0.000 0.276 941 P C -2.672 174.571 177.300 -0.095 0.000 1.252 941 P CA -1.494 61.529 63.100 -0.129 0.000 0.802 941 P CB 0.011 31.658 31.700 -0.088 0.000 1.035 942 P HA 0.217 nan 4.420 nan 0.000 0.286 942 P C -0.520 176.761 177.300 -0.031 0.000 1.293 942 P CA -0.241 62.856 63.100 -0.006 0.000 0.770 942 P CB 0.077 31.775 31.700 -0.003 0.000 1.206 943 A N -0.209 122.585 122.820 -0.044 0.000 2.269 943 A HA 0.277 4.597 4.320 0.000 0.000 0.319 943 A C 1.152 178.668 177.584 -0.114 0.000 1.110 943 A CA -0.097 51.888 52.037 -0.087 0.000 0.847 943 A CB -0.119 18.803 19.000 -0.129 0.000 1.161 943 A HN 0.535 nan 8.150 nan 0.000 0.497 944 D N 0.150 120.474 120.400 -0.127 0.000 2.095 944 D HA -0.163 4.478 4.640 0.000 0.000 0.192 944 D C 0.972 177.178 176.300 -0.156 0.000 0.990 944 D CA 2.126 56.059 54.000 -0.112 0.000 0.836 944 D CB -0.391 40.359 40.800 -0.083 0.000 0.979 944 D HN 0.598 nan 8.370 nan 0.000 0.447 945 L N -0.085 120.966 121.223 -0.288 0.000 3.858 945 L HA -0.284 4.056 4.340 0.000 0.000 0.425 945 L C 1.386 178.191 176.870 -0.109 0.000 1.177 945 L CA 0.411 55.041 54.840 -0.348 0.000 0.943 945 L CB -2.489 39.354 42.059 -0.360 0.000 1.861 945 L HN 0.183 nan 8.230 nan 0.000 0.985 946 S N -1.209 114.458 115.700 -0.055 0.000 2.470 946 S HA -0.055 4.416 4.470 0.000 0.000 0.225 946 S C 1.160 175.779 174.600 0.031 0.000 1.006 946 S CA 0.630 58.824 58.200 -0.010 0.000 0.934 946 S CB -0.000 63.194 63.200 -0.010 0.000 0.778 946 S HN 0.675 nan 8.310 nan 0.000 0.517 947 D N 0.668 121.112 120.400 0.073 0.000 2.427 947 D HA 0.070 4.710 4.640 0.000 0.000 0.224 947 D C 0.336 176.749 176.300 0.188 0.000 1.157 947 D CA -0.320 53.749 54.000 0.114 0.000 0.828 947 D CB -0.610 40.262 40.800 0.119 0.000 0.974 947 D HN 0.529 nan 8.370 nan 0.000 0.498 948 Q N 1.207 121.124 119.800 0.196 0.000 2.286 948 Q HA 0.173 4.514 4.340 0.000 0.000 0.267 948 Q C -0.484 175.606 176.000 0.149 0.000 1.028 948 Q CA -0.389 55.572 55.803 0.262 0.000 0.901 948 Q CB 1.050 29.912 28.738 0.206 0.000 1.183 948 Q HN -0.033 nan 8.270 nan 0.000 0.392 949 V N 7.973 127.971 119.914 0.139 0.000 2.485 949 V HA 0.081 4.202 4.120 0.000 0.000 0.287 949 V C -1.959 174.170 176.094 0.058 0.000 1.022 949 V CA -1.135 61.209 62.300 0.073 0.000 1.067 949 V CB 0.336 32.185 31.823 0.044 0.000 0.967 949 V HN 0.834 nan 8.190 nan 0.000 0.479 950 P HA 0.068 nan 4.420 nan 0.000 0.264 950 P C 0.277 177.582 177.300 0.009 0.000 1.183 950 P CA 0.589 63.700 63.100 0.018 0.000 0.763 950 P CB 0.189 31.888 31.700 -0.001 0.000 0.807 951 D N 0.167 120.575 120.400 0.013 0.000 3.027 951 D HA -0.103 4.538 4.640 0.000 0.000 0.219 951 D C -0.855 175.455 176.300 0.015 0.000 1.110 951 D CA 1.266 55.269 54.000 0.004 0.000 0.841 951 D CB -1.586 39.204 40.800 -0.016 0.000 1.096 951 D HN 0.471 nan 8.370 nan 0.000 0.435 952 T N -1.430 113.156 114.554 0.052 0.000 2.861 952 T HA 0.685 5.035 4.350 0.000 0.000 0.287 952 T C 0.122 174.894 174.700 0.120 0.000 1.003 952 T CA -0.992 61.168 62.100 0.101 0.000 0.977 952 T CB 2.069 71.045 68.868 0.180 0.000 0.996 952 T HN 0.100 nan 8.240 nan 0.000 0.448 953 E N 1.703 121.976 120.200 0.122 0.000 2.374 953 E HA 0.548 4.898 4.350 0.000 0.000 0.260 953 E C -0.326 176.344 176.600 0.117 0.000 1.101 953 E CA -0.849 55.610 56.400 0.098 0.000 0.907 953 E CB 0.461 30.205 29.700 0.074 0.000 1.014 953 E HN 0.784 nan 8.360 nan 0.000 0.427 954 S N 0.012 115.762 115.700 0.083 0.000 2.619 954 S HA 0.426 4.897 4.470 0.000 0.000 0.280 954 S C -0.963 173.666 174.600 0.049 0.000 1.150 954 S CA -1.162 57.088 58.200 0.083 0.000 0.978 954 S CB 0.845 64.100 63.200 0.091 0.000 1.041 954 S HN 0.667 nan 8.310 nan 0.000 0.485 955 E N 1.420 121.646 120.200 0.042 0.000 2.166 955 E HA 0.594 4.944 4.350 0.000 0.000 0.275 955 E C -1.115 175.500 176.600 0.024 0.000 0.941 955 E CA -0.730 55.684 56.400 0.025 0.000 0.784 955 E CB 1.451 31.161 29.700 0.018 0.000 1.115 955 E HN 0.448 nan 8.360 nan 0.000 0.399 956 T N 3.689 118.250 114.554 0.012 0.000 2.749 956 T HA 0.302 4.652 4.350 0.000 0.000 0.287 956 T C -0.377 174.322 174.700 -0.001 0.000 0.970 956 T CA -0.679 61.432 62.100 0.017 0.000 0.980 956 T CB 0.703 69.585 68.868 0.022 0.000 0.924 956 T HN 0.376 nan 8.240 nan 0.000 0.456 957 R N 3.979 124.488 120.500 0.015 0.000 2.288 957 R HA 0.449 4.789 4.340 0.000 0.000 0.326 957 R C -0.550 175.760 176.300 0.016 0.000 0.959 957 R CA -0.545 55.557 56.100 0.002 0.000 0.834 957 R CB 0.435 30.738 30.300 0.006 0.000 1.157 957 R HN 0.627 nan 8.270 nan 0.000 0.470 958 I N 4.967 125.532 120.570 -0.008 0.000 2.532 958 I HA 0.320 4.490 4.170 0.000 0.000 0.292 958 I C -0.103 176.012 176.117 -0.003 0.000 1.014 958 I CA -0.573 60.739 61.300 0.021 0.000 1.340 958 I CB 1.212 39.200 38.000 -0.020 0.000 1.422 958 I HN 0.436 nan 8.210 nan 0.000 0.528 959 L N 6.302 127.532 121.223 0.011 0.000 2.455 959 L HA 0.510 4.850 4.340 0.000 0.000 0.264 959 L C -1.379 175.482 176.870 -0.015 0.000 0.968 959 L CA -0.481 54.349 54.840 -0.015 0.000 0.827 959 L CB 1.957 44.015 42.059 -0.003 0.000 1.317 959 L HN 0.518 nan 8.230 nan 0.000 0.407 960 L N 4.464 125.660 121.223 -0.046 0.000 2.435 960 L HA 0.404 4.745 4.340 0.000 0.000 0.253 960 L C -0.412 176.447 176.870 -0.018 0.000 1.087 960 L CA -0.420 54.399 54.840 -0.035 0.000 0.950 960 L CB 1.193 43.206 42.059 -0.076 0.000 1.304 960 L HN 0.606 nan 8.230 nan 0.000 0.453 961 Q N 1.669 121.470 119.800 0.000 0.000 2.332 961 Q HA 0.444 4.784 4.340 0.000 0.000 0.263 961 Q C 0.083 176.097 176.000 0.023 0.000 0.979 961 Q CA 0.008 55.818 55.803 0.012 0.000 0.885 961 Q CB 1.633 30.381 28.738 0.016 0.000 1.218 961 Q HN 0.497 nan 8.270 nan 0.000 0.405 962 G N 2.686 111.509 108.800 0.038 0.000 2.422 962 G HA2 0.426 4.386 3.960 0.000 0.000 0.317 962 G HA3 0.426 4.386 3.960 0.000 0.000 0.317 962 G C -0.921 174.024 174.900 0.076 0.000 1.210 962 G CA -0.612 44.523 45.100 0.058 0.000 0.930 962 G HN 0.619 nan 8.290 nan 0.000 0.468 963 T N 5.662 120.251 114.554 0.059 0.000 2.723 963 T HA 0.327 4.677 4.350 0.000 0.000 0.297 963 T C -1.269 173.465 174.700 0.058 0.000 0.925 963 T CA -0.857 61.277 62.100 0.056 0.000 1.030 963 T CB 2.161 71.048 68.868 0.031 0.000 0.905 963 T HN 0.427 nan 8.240 nan 0.000 0.502 964 P HA 0.091 nan 4.420 nan 0.000 0.214 964 P C 0.684 177.948 177.300 -0.060 0.000 1.144 964 P CA -0.016 63.110 63.100 0.044 0.000 0.884 964 P CB -0.097 31.788 31.700 0.308 0.000 0.784 965 V N 0.175 120.089 119.914 0.000 0.000 3.383 965 V HA -0.102 4.018 4.120 0.000 0.000 0.276 965 V C 0.454 176.497 176.094 -0.085 0.000 1.512 965 V CA 0.463 62.748 62.300 -0.026 0.000 1.498 965 V CB -1.090 30.728 31.823 -0.008 0.000 0.827 965 V HN 0.551 nan 8.190 nan 0.000 0.372 966 A N 4.858 127.600 122.820 -0.130 0.000 3.754 966 A HA 0.875 5.196 4.320 0.000 0.000 0.177 966 A C 0.456 177.926 177.584 -0.191 0.000 1.197 966 A CA 0.382 52.288 52.037 -0.218 0.000 1.373 966 A CB 0.645 19.341 19.000 -0.507 0.000 1.583 966 A HN 1.547 nan 8.150 nan 0.000 0.668 967 Q N -2.089 117.554 119.800 -0.263 0.000 2.043 967 Q HA -0.058 4.282 4.340 0.000 0.000 0.267 967 Q C -1.374 174.543 176.000 -0.137 0.000 0.965 967 Q CA 0.199 55.897 55.803 -0.175 0.000 0.484 967 Q CB -1.239 27.439 28.738 -0.100 0.000 0.805 967 Q HN 0.508 nan 8.270 nan 0.000 0.329 968 M N 1.512 121.007 119.600 -0.173 0.000 3.213 968 M HA 0.153 4.633 4.480 0.000 0.000 0.275 968 M C 0.392 176.627 176.300 -0.107 0.000 1.424 968 M CA 0.641 55.864 55.300 -0.129 0.000 1.561 968 M CB 0.520 33.014 32.600 -0.178 0.000 1.109 968 M HN 0.284 nan 8.290 nan 0.000 0.552 969 T N 1.265 115.789 114.554 -0.051 0.000 2.868 969 T HA 0.428 4.778 4.350 0.000 0.000 0.292 969 T C -0.220 174.494 174.700 0.025 0.000 1.028 969 T CA -0.173 61.910 62.100 -0.027 0.000 1.059 969 T CB 0.596 69.462 68.868 -0.003 0.000 0.991 969 T HN 0.585 nan 8.240 nan 0.000 0.531 970 E N 1.590 121.803 120.200 0.021 0.000 2.356 970 E HA 0.439 4.790 4.350 0.000 0.000 0.275 970 E C -1.669 174.996 176.600 0.107 0.000 0.904 970 E CA -0.701 55.759 56.400 0.100 0.000 0.757 970 E CB 1.717 31.392 29.700 -0.041 0.000 1.232 970 E HN 0.441 nan 8.360 nan 0.000 0.442 971 D N 1.565 122.067 120.400 0.170 0.000 2.404 971 D HA 0.411 5.051 4.640 0.000 0.000 0.267 971 D C -0.849 175.555 176.300 0.174 0.000 1.194 971 D CA -0.315 53.764 54.000 0.132 0.000 0.910 971 D CB 1.067 41.932 40.800 0.108 0.000 1.090 971 D HN 0.511 nan 8.370 nan 0.000 0.511 972 A N 1.237 124.158 122.820 0.167 0.000 2.406 972 A HA 0.341 4.661 4.320 0.000 0.000 0.243 972 A C 0.462 178.198 177.584 0.254 0.000 1.082 972 A CA -0.346 51.839 52.037 0.247 0.000 0.786 972 A CB 0.560 19.647 19.000 0.146 0.000 1.029 972 A HN 0.316 nan 8.150 nan 0.000 0.495 973 V N 2.528 122.666 119.914 0.374 0.000 2.521 973 V HA 0.027 4.147 4.120 0.000 0.000 0.286 973 V C 0.057 176.295 176.094 0.239 0.000 1.034 973 V CA -0.094 62.392 62.300 0.309 0.000 1.045 973 V CB 0.314 32.352 31.823 0.358 0.000 0.974 973 V HN 0.865 nan 8.190 nan 0.000 0.480 974 D N 3.804 124.290 120.400 0.144 0.000 2.488 974 D HA 0.172 4.813 4.640 0.000 0.000 0.238 974 D C 0.990 177.323 176.300 0.055 0.000 1.138 974 D CA 0.727 54.772 54.000 0.075 0.000 0.873 974 D CB 1.309 42.130 40.800 0.035 0.000 1.183 974 D HN 0.638 nan 8.370 nan 0.000 0.458 975 A N 3.089 125.943 122.820 0.058 0.000 1.969 975 A HA -0.184 4.136 4.320 0.000 0.000 0.218 975 A C 1.828 179.524 177.584 0.186 0.000 1.169 975 A CA 1.136 53.234 52.037 0.101 0.000 0.635 975 A CB -0.434 18.638 19.000 0.120 0.000 0.810 975 A HN 0.736 nan 8.150 nan 0.000 0.445 976 E N -0.386 119.853 120.200 0.065 0.000 2.396 976 E HA -0.184 4.167 4.350 0.000 0.000 0.200 976 E C 1.236 177.799 176.600 -0.062 0.000 1.023 976 E CA 0.498 56.880 56.400 -0.030 0.000 0.857 976 E CB 0.005 29.668 29.700 -0.061 0.000 0.775 976 E HN 0.349 nan 8.360 nan 0.000 0.525 977 R N -0.274 120.163 120.500 -0.105 0.000 2.334 977 R HA 0.137 4.478 4.340 0.000 0.000 0.216 977 R C 1.241 177.472 176.300 -0.115 0.000 0.905 977 R CA 0.134 56.062 56.100 -0.286 0.000 1.064 977 R CB 0.389 30.282 30.300 -0.678 0.000 1.046 977 R HN 0.270 nan 8.270 nan 0.000 0.508 978 L N -0.605 120.611 121.223 -0.010 0.000 2.858 978 L HA 0.227 4.567 4.340 0.000 0.000 0.251 978 L C 1.468 178.302 176.870 -0.059 0.000 1.149 978 L CA -0.096 54.663 54.840 -0.134 0.000 0.955 978 L CB 0.195 42.099 42.059 -0.258 0.000 1.289 978 L HN -0.116 nan 8.230 nan 0.000 0.542 979 K N 0.715 121.220 120.400 0.175 0.000 2.286 979 K HA -0.200 4.120 4.320 0.000 0.000 0.203 979 K C 1.862 178.541 176.600 0.132 0.000 1.045 979 K CA 1.527 57.931 56.287 0.195 0.000 0.935 979 K CB -0.166 32.354 32.500 0.033 0.000 0.737 979 K HN 0.564 nan 8.250 nan 0.000 0.460 980 H N -0.448 118.652 119.070 0.050 0.000 2.548 980 H HA 0.054 4.610 4.556 0.000 0.000 0.268 980 H C 1.601 176.955 175.328 0.044 0.000 0.975 980 H CA 0.337 56.409 56.048 0.040 0.000 1.195 980 H CB -0.247 29.529 29.762 0.023 0.000 1.397 980 H HN 0.144 nan 8.280 nan 0.000 0.572 981 L N 1.304 122.255 121.223 -0.453 0.000 2.610 981 L HA 0.062 4.402 4.340 0.000 0.000 0.232 981 L C 0.273 177.083 176.870 -0.101 0.000 1.149 981 L CA 0.096 54.751 54.840 -0.308 0.000 0.872 981 L CB 0.053 41.853 42.059 -0.433 0.000 0.992 981 L HN 0.127 nan 8.230 nan 0.000 0.447 982 I N 1.379 121.936 120.570 -0.022 0.000 2.256 982 I HA 0.163 4.333 4.170 0.000 0.000 0.294 982 I C -0.066 176.089 176.117 0.062 0.000 1.127 982 I CA 0.063 61.389 61.300 0.044 0.000 1.247 982 I CB 0.249 38.319 38.000 0.117 0.000 1.460 982 I HN -0.249 nan 8.210 nan 0.000 0.511 983 V N 4.854 124.802 119.914 0.057 0.000 2.513 983 V HA 0.327 4.447 4.120 0.000 0.000 0.299 983 V C 0.585 176.719 176.094 0.066 0.000 1.035 983 V CA -0.646 61.695 62.300 0.067 0.000 0.889 983 V CB 2.109 33.976 31.823 0.073 0.000 0.988 983 V HN 0.641 nan 8.190 nan 0.000 0.440 984 T N 6.884 121.476 114.554 0.064 0.000 2.769 984 T HA 0.242 4.592 4.350 0.000 0.000 0.293 984 T C -2.388 172.348 174.700 0.061 0.000 0.931 984 T CA -0.517 61.619 62.100 0.060 0.000 1.139 984 T CB 0.481 69.382 68.868 0.056 0.000 0.881 984 T HN 0.461 nan 8.240 nan 0.000 0.532 985 P HA 0.339 nan 4.420 nan 0.000 0.276 985 P C -0.543 176.794 177.300 0.063 0.000 1.243 985 P CA -0.340 62.798 63.100 0.064 0.000 0.768 985 P CB 0.688 32.432 31.700 0.073 0.000 0.856 986 S N 1.493 117.225 115.700 0.053 0.000 2.656 986 S HA 0.884 5.354 4.470 0.000 0.000 0.273 986 S C -0.052 174.571 174.600 0.038 0.000 1.168 986 S CA -0.078 58.157 58.200 0.059 0.000 0.817 986 S CB 1.431 64.666 63.200 0.059 0.000 1.146 986 S HN 0.856 nan 8.310 nan 0.000 0.475 987 G N -0.299 108.533 108.800 0.055 0.000 2.548 987 G HA2 -0.036 3.924 3.960 0.000 0.000 0.208 987 G HA3 -0.036 3.924 3.960 0.000 0.000 0.208 987 G C -0.077 174.807 174.900 -0.026 0.000 1.308 987 G CA -0.403 44.709 45.100 0.020 0.000 0.924 987 G HN 1.449 nan 8.290 nan 0.000 0.540 988 C N 0.172 119.341 119.300 -0.220 0.000 2.352 988 C HA 0.668 5.128 4.460 0.000 0.000 0.387 988 C C 2.605 176.970 174.990 -1.041 0.000 1.294 988 C CA 0.878 59.483 59.018 -0.689 0.000 2.137 988 C CB 0.602 27.889 27.740 -0.755 0.000 2.146 988 C HN 1.912 nan 8.230 nan 0.000 0.559 989 G N 0.153 107.816 108.800 -1.895 0.000 2.681 989 G HA2 -0.265 3.695 3.960 0.000 0.000 0.224 989 G HA3 -0.265 3.695 3.960 0.000 0.000 0.224 989 G C 1.239 175.878 174.900 -0.435 0.000 1.100 989 G CA 1.706 46.162 45.100 -1.074 0.000 0.743 989 G HN 0.913 nan 8.290 nan 0.000 0.612 990 E N -0.396 119.595 120.200 -0.348 0.000 2.132 990 E HA 0.037 4.387 4.350 0.000 0.000 0.193 990 E C 2.431 178.901 176.600 -0.217 0.000 0.951 990 E CA 0.357 56.667 56.400 -0.151 0.000 0.843 990 E CB 0.059 29.769 29.700 0.017 0.000 0.807 990 E HN 0.556 nan 8.360 nan 0.000 0.467 991 E N 1.319 121.350 120.200 -0.282 0.000 2.204 991 E HA -0.174 4.176 4.350 0.000 0.000 0.194 991 E C 1.735 178.253 176.600 -0.137 0.000 0.989 991 E CA 0.827 57.062 56.400 -0.274 0.000 0.824 991 E CB -0.140 29.457 29.700 -0.172 0.000 0.756 991 E HN 0.069 nan 8.360 nan 0.000 0.477 992 N N 0.527 119.151 118.700 -0.126 0.000 2.244 992 N HA -0.115 4.625 4.740 0.000 0.000 0.183 992 N C 1.599 177.115 175.510 0.010 0.000 1.016 992 N CA 0.973 54.002 53.050 -0.036 0.000 0.866 992 N CB 0.121 38.597 38.487 -0.017 0.000 0.980 992 N HN 0.013 nan 8.380 nan 0.000 0.430 993 M N -0.123 119.475 119.600 -0.003 0.000 2.288 993 M HA 0.100 4.580 4.480 0.000 0.000 0.266 993 M C 1.677 178.059 176.300 0.137 0.000 1.072 993 M CA 0.663 56.015 55.300 0.087 0.000 1.132 993 M CB -0.561 32.114 32.600 0.124 0.000 1.386 993 M HN 0.211 nan 8.290 nan 0.000 0.432 994 I N -0.637 119.963 120.570 0.050 0.000 2.676 994 I HA -0.124 4.046 4.170 0.000 0.000 0.259 994 I C 2.248 178.413 176.117 0.081 0.000 1.194 994 I CA 1.052 62.383 61.300 0.051 0.000 1.473 994 I CB -0.644 37.314 38.000 -0.070 0.000 1.096 994 I HN 0.292 nan 8.210 nan 0.000 0.443 995 G N 0.071 108.910 108.800 0.066 0.000 2.719 995 G HA2 -0.053 3.907 3.960 0.000 0.000 0.211 995 G HA3 -0.053 3.907 3.960 0.000 0.000 0.211 995 G C 1.588 176.546 174.900 0.096 0.000 1.140 995 G CA -0.149 44.996 45.100 0.077 0.000 0.790 995 G HN 0.232 nan 8.290 nan 0.000 0.529 996 M N 0.779 120.444 119.600 0.109 0.000 2.558 996 M HA 0.101 4.582 4.480 0.000 0.000 0.255 996 M C 2.176 178.570 176.300 0.157 0.000 1.113 996 M CA 0.781 56.151 55.300 0.117 0.000 1.097 996 M CB -0.026 32.645 32.600 0.118 0.000 1.426 996 M HN 0.104 nan 8.290 nan 0.000 0.488 997 T N 2.096 116.772 114.554 0.203 0.000 2.639 997 T HA -0.032 4.318 4.350 0.000 0.000 0.261 997 T C -0.950 173.926 174.700 0.292 0.000 1.053 997 T CA 1.562 63.850 62.100 0.314 0.000 1.158 997 T CB -1.357 67.738 68.868 0.378 0.000 0.863 997 T HN 0.355 nan 8.240 nan 0.000 0.413 998 P HA -0.031 nan 4.420 nan 0.000 0.220 998 P C 1.267 178.592 177.300 0.041 0.000 1.148 998 P CA 1.248 64.421 63.100 0.122 0.000 0.803 998 P CB -0.312 31.439 31.700 0.085 0.000 0.782 999 T N -0.184 114.409 114.554 0.065 0.000 2.809 999 T HA -0.035 4.315 4.350 0.000 0.000 0.260 999 T C 2.017 176.744 174.700 0.044 0.000 1.039 999 T CA 0.986 63.108 62.100 0.036 0.000 1.141 999 T CB -0.904 67.997 68.868 0.055 0.000 0.869 999 T HN -0.110 nan 8.240 nan 0.000 0.437 1000 V N 1.281 121.248 119.914 0.089 0.000 2.343 1000 V HA -0.075 4.045 4.120 0.000 0.000 0.247 1000 V C 2.297 178.431 176.094 0.066 0.000 1.051 1000 V CA 1.142 63.497 62.300 0.091 0.000 1.036 1000 V CB -0.465 31.444 31.823 0.143 0.000 0.654 1000 V HN 0.343 nan 8.190 nan 0.000 0.451 1001 I N 0.179 120.779 120.570 0.050 0.000 3.111 1001 I HA 0.023 4.193 4.170 0.000 0.000 0.272 1001 I C 2.151 178.224 176.117 -0.074 0.000 1.268 1001 I CA 1.036 62.309 61.300 -0.044 0.000 1.467 1001 I CB -0.413 37.539 38.000 -0.081 0.000 1.087 1001 I HN 0.165 nan 8.210 nan 0.000 0.467 1002 A N -0.746 122.005 122.820 -0.116 0.000 1.878 1002 A HA -0.036 4.285 4.320 0.000 0.000 0.213 1002 A C 2.313 179.782 177.584 -0.192 0.000 1.192 1002 A CA 1.440 53.328 52.037 -0.250 0.000 0.619 1002 A CB -0.877 17.966 19.000 -0.263 0.000 0.837 1002 A HN 0.189 nan 8.150 nan 0.000 0.446 1003 V N -0.082 119.809 119.914 -0.038 0.000 2.295 1003 V HA -0.283 3.837 4.120 0.000 0.000 0.246 1003 V C 2.502 178.650 176.094 0.090 0.000 1.049 1003 V CA 2.564 64.924 62.300 0.099 0.000 1.024 1003 V CB -1.061 30.859 31.823 0.161 0.000 0.648 1003 V HN 0.835 nan 8.190 nan 0.000 0.447 1004 H N -0.576 118.490 119.070 -0.008 0.000 2.289 1004 H HA -0.293 4.263 4.556 0.000 0.000 0.296 1004 H C 2.131 177.450 175.328 -0.016 0.000 1.091 1004 H CA 2.652 58.696 56.048 -0.007 0.000 1.274 1004 H CB -0.544 29.198 29.762 -0.033 0.000 1.364 1004 H HN 0.484 nan 8.280 nan 0.000 0.490 1005 Y N 0.338 120.482 120.300 -0.260 0.000 2.224 1005 Y HA -0.135 4.415 4.550 0.000 0.000 0.289 1005 Y C 2.224 177.915 175.900 -0.348 0.000 1.146 1005 Y CA 1.650 59.562 58.100 -0.313 0.000 1.182 1005 Y CB -0.257 38.061 38.460 -0.236 0.000 0.983 1005 Y HN 0.247 nan 8.280 nan 0.000 0.524 1006 L N -0.528 120.449 121.223 -0.409 0.000 2.217 1006 L HA -0.140 4.200 4.340 0.000 0.000 0.211 1006 L C 1.688 178.243 176.870 -0.526 0.000 1.107 1006 L CA 1.032 55.431 54.840 -0.736 0.000 0.783 1006 L CB -0.418 40.820 42.059 -1.369 0.000 0.919 1006 L HN 0.102 nan 8.230 nan 0.000 0.442 1007 D N -0.275 120.043 120.400 -0.138 0.000 2.224 1007 D HA -0.128 4.512 4.640 0.000 0.000 0.205 1007 D C 2.144 178.387 176.300 -0.094 0.000 0.965 1007 D CA 0.843 54.890 54.000 0.078 0.000 0.852 1007 D CB 0.144 41.019 40.800 0.125 0.000 0.947 1007 D HN 0.212 nan 8.370 nan 0.000 0.494 1008 E N -0.413 119.624 120.200 -0.272 0.000 2.276 1008 E HA -0.003 4.348 4.350 0.000 0.000 0.193 1008 E C 1.807 178.220 176.600 -0.312 0.000 0.983 1008 E CA 0.737 56.966 56.400 -0.285 0.000 0.861 1008 E CB 0.173 29.649 29.700 -0.373 0.000 0.817 1008 E HN 0.374 nan 8.360 nan 0.000 0.485 1009 T N -1.330 112.951 114.554 -0.454 0.000 3.107 1009 T HA 0.058 4.408 4.350 0.000 0.000 0.249 1009 T C 0.489 175.036 174.700 -0.256 0.000 1.096 1009 T CA -0.085 61.768 62.100 -0.412 0.000 1.012 1009 T CB 0.214 68.692 68.868 -0.650 0.000 0.977 1009 T HN -0.109 nan 8.240 nan 0.000 0.527 1010 E N 1.172 121.247 120.200 -0.208 0.000 2.403 1010 E HA -0.228 4.123 4.350 0.000 0.000 0.241 1010 E C 0.355 176.916 176.600 -0.065 0.000 1.201 1010 E CA 0.606 56.963 56.400 -0.072 0.000 0.721 1010 E CB -1.871 27.812 29.700 -0.028 0.000 1.245 1010 E HN 0.790 nan 8.360 nan 0.000 0.392 1011 Q N -1.834 117.860 119.800 -0.177 0.000 2.360 1011 Q HA -0.002 4.338 4.340 0.000 0.000 0.202 1011 Q C 1.477 177.465 176.000 -0.020 0.000 0.915 1011 Q CA -0.040 55.699 55.803 -0.107 0.000 0.943 1011 Q CB -0.041 28.608 28.738 -0.148 0.000 1.064 1011 Q HN 0.453 nan 8.270 nan 0.000 0.511 1012 W N 2.008 123.301 121.300 -0.012 0.000 2.321 1012 W HA -0.232 4.428 4.660 0.000 0.000 0.285 1012 W C 1.740 178.304 176.519 0.075 0.000 1.213 1012 W CA 0.991 58.352 57.345 0.026 0.000 1.205 1012 W CB 0.209 29.658 29.460 -0.018 0.000 1.134 1012 W HN 0.302 nan 8.180 nan 0.000 0.549 1013 E N -0.077 120.284 120.200 0.267 0.000 2.047 1013 E HA -0.189 4.161 4.350 0.000 0.000 0.191 1013 E C 2.143 178.832 176.600 0.149 0.000 0.987 1013 E CA 0.919 57.425 56.400 0.176 0.000 0.799 1013 E CB -0.163 29.601 29.700 0.106 0.000 0.752 1013 E HN 0.113 nan 8.360 nan 0.000 0.449 1014 K N 0.379 120.853 120.400 0.124 0.000 2.148 1014 K HA -0.107 4.213 4.320 0.000 0.000 0.204 1014 K C 1.869 178.533 176.600 0.106 0.000 1.050 1014 K CA 0.739 57.078 56.287 0.085 0.000 0.942 1014 K CB -0.386 32.147 32.500 0.055 0.000 0.724 1014 K HN 0.145 nan 8.250 nan 0.000 0.446 1015 F N 1.025 120.982 119.950 0.011 0.000 2.293 1015 F HA 0.110 4.637 4.527 0.000 0.000 0.297 1015 F C 0.518 176.370 175.800 0.087 0.000 1.089 1015 F CA 1.205 59.208 58.000 0.004 0.000 1.377 1015 F CB 0.504 39.444 39.000 -0.101 0.000 1.051 1015 F HN 0.170 nan 8.300 nan 0.000 0.511 1016 G N 1.101 110.066 108.800 0.275 0.000 3.152 1016 G HA2 -0.107 3.853 3.960 0.000 0.000 0.666 1016 G HA3 -0.107 3.853 3.960 0.000 0.000 0.666 1016 G C -0.166 174.945 174.900 0.351 0.000 1.205 1016 G CA -0.275 44.940 45.100 0.193 0.000 1.178 1016 G HN 0.220 nan 8.290 nan 0.000 0.510 1017 L N 1.625 122.978 121.223 0.218 0.000 2.201 1017 L HA 0.102 4.442 4.340 0.000 0.000 0.212 1017 L C 2.508 179.382 176.870 0.007 0.000 1.105 1017 L CA 2.773 57.691 54.840 0.130 0.000 0.775 1017 L CB -0.344 41.752 42.059 0.061 0.000 0.913 1017 L HN 0.804 nan 8.230 nan 0.000 0.440 1018 E N -1.233 118.991 120.200 0.040 0.000 2.358 1018 E HA -0.143 4.207 4.350 0.000 0.000 0.195 1018 E C 1.786 178.395 176.600 0.016 0.000 1.010 1018 E CA 0.781 57.182 56.400 0.001 0.000 0.856 1018 E CB -0.334 29.371 29.700 0.008 0.000 0.795 1018 E HN 0.328 nan 8.360 nan 0.000 0.504 1019 K N 0.539 121.010 120.400 0.118 0.000 2.432 1019 K HA 0.066 4.386 4.320 0.000 0.000 0.196 1019 K C 1.992 178.673 176.600 0.135 0.000 1.038 1019 K CA 0.317 56.726 56.287 0.203 0.000 0.986 1019 K CB 0.058 32.812 32.500 0.424 0.000 0.782 1019 K HN 0.030 nan 8.250 nan 0.000 0.485 1020 R N 1.109 121.510 120.500 -0.164 0.000 2.062 1020 R HA -0.174 4.166 4.340 0.000 0.000 0.231 1020 R C 2.300 178.456 176.300 -0.242 0.000 1.136 1020 R CA 1.464 57.256 56.100 -0.513 0.000 0.948 1020 R CB -0.031 29.449 30.300 -1.367 0.000 0.845 1020 R HN -0.024 nan 8.270 nan 0.000 0.430 1021 Q N 0.163 119.840 119.800 -0.204 0.000 2.112 1021 Q HA -0.119 4.221 4.340 0.000 0.000 0.206 1021 Q C 1.781 177.745 176.000 -0.060 0.000 0.987 1021 Q CA 2.311 58.039 55.803 -0.125 0.000 0.858 1021 Q CB -0.873 27.805 28.738 -0.100 0.000 0.905 1021 Q HN 0.517 nan 8.270 nan 0.000 0.420 1022 G N -0.792 107.994 108.800 -0.024 0.000 2.484 1022 G HA2 -0.049 3.911 3.960 0.000 0.000 0.218 1022 G HA3 -0.049 3.911 3.960 0.000 0.000 0.218 1022 G C 1.352 176.271 174.900 0.031 0.000 1.130 1022 G CA 0.708 45.816 45.100 0.013 0.000 0.784 1022 G HN 0.505 nan 8.290 nan 0.000 0.543 1023 A N 0.268 123.113 122.820 0.041 0.000 2.016 1023 A HA 0.293 4.614 4.320 0.000 0.000 0.217 1023 A C 2.206 179.805 177.584 0.026 0.000 1.162 1023 A CA 0.458 52.533 52.037 0.062 0.000 0.662 1023 A CB -0.169 18.906 19.000 0.125 0.000 0.812 1023 A HN 0.288 nan 8.150 nan 0.000 0.450 1024 L N -0.008 121.208 121.223 -0.012 0.000 2.141 1024 L HA -0.125 4.215 4.340 0.000 0.000 0.209 1024 L C 2.212 179.070 176.870 -0.020 0.000 1.094 1024 L CA 1.796 56.618 54.840 -0.030 0.000 0.763 1024 L CB -1.107 40.915 42.059 -0.062 0.000 0.908 1024 L HN 0.547 nan 8.230 nan 0.000 0.437 1025 E N -0.367 119.829 120.200 -0.008 0.000 2.106 1025 E HA -0.176 4.174 4.350 0.000 0.000 0.192 1025 E C 2.314 178.925 176.600 0.019 0.000 0.984 1025 E CA 0.698 57.100 56.400 0.003 0.000 0.806 1025 E CB 0.031 29.736 29.700 0.007 0.000 0.750 1025 E HN 0.439 nan 8.360 nan 0.000 0.458 1026 L N 0.524 121.763 121.223 0.027 0.000 2.156 1026 L HA -0.092 4.248 4.340 0.000 0.000 0.208 1026 L C 2.315 179.208 176.870 0.039 0.000 1.095 1026 L CA 0.716 55.581 54.840 0.040 0.000 0.770 1026 L CB -0.217 41.872 42.059 0.049 0.000 0.914 1026 L HN 0.166 nan 8.230 nan 0.000 0.439 1027 I N -0.161 120.423 120.570 0.023 0.000 2.406 1027 I HA -0.241 3.929 4.170 0.000 0.000 0.249 1027 I C 2.619 178.732 176.117 -0.006 0.000 1.122 1027 I CA 1.066 62.370 61.300 0.006 0.000 1.431 1027 I CB -0.181 37.809 38.000 -0.017 0.000 1.087 1027 I HN 0.211 nan 8.210 nan 0.000 0.424 1028 K N 1.438 121.832 120.400 -0.010 0.000 2.155 1028 K HA -0.193 4.127 4.320 0.000 0.000 0.203 1028 K C 2.154 178.804 176.600 0.083 0.000 1.052 1028 K CA 1.237 57.531 56.287 0.011 0.000 0.948 1028 K CB 0.110 32.603 32.500 -0.012 0.000 0.728 1028 K HN 0.095 nan 8.250 nan 0.000 0.448 1029 K N -0.500 119.938 120.400 0.063 0.000 2.167 1029 K HA -0.042 4.278 4.320 0.000 0.000 0.203 1029 K C 1.910 178.563 176.600 0.087 0.000 1.052 1029 K CA 1.120 57.449 56.287 0.071 0.000 0.956 1029 K CB -0.026 32.507 32.500 0.055 0.000 0.735 1029 K HN 0.281 nan 8.250 nan 0.000 0.451 1030 G N -0.145 108.708 108.800 0.089 0.000 2.394 1030 G HA2 -0.283 3.677 3.960 0.000 0.000 0.215 1030 G HA3 -0.283 3.677 3.960 0.000 0.000 0.215 1030 G C 1.360 176.339 174.900 0.133 0.000 1.165 1030 G CA 0.693 45.855 45.100 0.103 0.000 0.784 1030 G HN 0.435 nan 8.290 nan 0.000 0.535 1031 Y N 1.804 122.075 120.300 -0.047 0.000 2.242 1031 Y HA -0.076 4.474 4.550 0.000 0.000 0.291 1031 Y C 2.900 178.820 175.900 0.033 0.000 1.137 1031 Y CA 2.070 60.104 58.100 -0.109 0.000 1.181 1031 Y CB -0.234 38.000 38.460 -0.378 0.000 0.989 1031 Y HN 0.162 nan 8.280 nan 0.000 0.527 1032 T N 0.582 115.180 114.554 0.074 0.000 2.777 1032 T HA -0.202 4.148 4.350 0.000 0.000 0.266 1032 T C 1.554 176.248 174.700 -0.011 0.000 1.040 1032 T CA 1.838 63.937 62.100 -0.002 0.000 1.141 1032 T CB -0.220 68.696 68.868 0.079 0.000 0.868 1032 T HN 0.484 nan 8.240 nan 0.000 0.444 1033 Q N 0.250 120.085 119.800 0.058 0.000 2.436 1033 Q HA 0.023 4.364 4.340 0.000 0.000 0.209 1033 Q C 1.965 178.090 176.000 0.207 0.000 0.965 1033 Q CA 0.561 56.430 55.803 0.111 0.000 0.910 1033 Q CB -0.007 28.817 28.738 0.144 0.000 0.980 1033 Q HN 0.304 nan 8.270 nan 0.000 0.491 1034 Q N 0.160 120.056 119.800 0.160 0.000 2.360 1034 Q HA 0.103 4.443 4.340 0.000 0.000 0.202 1034 Q C 1.210 177.361 176.000 0.252 0.000 0.915 1034 Q CA 0.328 56.275 55.803 0.240 0.000 0.943 1034 Q CB 0.371 29.234 28.738 0.208 0.000 1.064 1034 Q HN 0.366 nan 8.270 nan 0.000 0.511 1035 L N -1.068 120.203 121.223 0.080 0.000 2.307 1035 L HA 0.198 4.538 4.340 0.000 0.000 0.211 1035 L C 1.852 178.725 176.870 0.005 0.000 1.099 1035 L CA 0.720 55.586 54.840 0.042 0.000 0.816 1035 L CB -0.232 41.771 42.059 -0.094 0.000 0.952 1035 L HN 0.188 nan 8.230 nan 0.000 0.455 1036 A N -0.646 122.124 122.820 -0.083 0.000 2.167 1036 A HA -0.021 4.299 4.320 0.000 0.000 0.214 1036 A C 1.317 178.632 177.584 -0.448 0.000 1.151 1036 A CA 0.856 52.713 52.037 -0.301 0.000 0.735 1036 A CB -0.404 18.328 19.000 -0.447 0.000 0.802 1036 A HN 0.378 nan 8.150 nan 0.000 0.467 1037 F N -0.561 119.432 119.950 0.072 0.000 2.668 1037 F HA 0.300 4.827 4.527 0.000 0.000 0.301 1037 F C 0.903 176.707 175.800 0.008 0.000 1.106 1037 F CA -0.369 57.680 58.000 0.081 0.000 1.289 1037 F CB 0.293 39.370 39.000 0.129 0.000 1.006 1037 F HN 0.019 nan 8.300 nan 0.000 0.535 1038 R N 2.102 122.581 120.500 -0.034 0.000 2.210 1038 R HA 0.216 4.556 4.340 0.000 0.000 0.338 1038 R C -0.065 176.008 176.300 -0.377 0.000 1.062 1038 R CA -0.133 55.648 56.100 -0.532 0.000 0.902 1038 R CB 0.417 30.487 30.300 -0.383 0.000 1.050 1038 R HN 0.313 nan 8.270 nan 0.000 0.461 1039 Q N 4.578 124.114 119.800 -0.440 0.000 2.368 1039 Q HA 0.101 4.441 4.340 0.000 0.000 0.237 1039 Q C -1.628 174.219 176.000 -0.255 0.000 0.987 1039 Q CA -1.783 53.857 55.803 -0.272 0.000 0.896 1039 Q CB 0.852 29.443 28.738 -0.244 0.000 1.241 1039 Q HN 0.465 nan 8.270 nan 0.000 0.485 1040 P HA -0.200 nan 4.420 nan 0.000 0.217 1040 P C 0.894 178.135 177.300 -0.099 0.000 1.148 1040 P CA 1.479 64.517 63.100 -0.104 0.000 0.828 1040 P CB 0.105 31.771 31.700 -0.057 0.000 0.783 1041 S N -2.532 113.093 115.700 -0.125 0.000 2.660 1041 S HA 0.061 4.532 4.470 0.000 0.000 0.223 1041 S C 0.915 175.405 174.600 -0.184 0.000 0.963 1041 S CA 0.500 58.656 58.200 -0.072 0.000 0.932 1041 S CB -1.069 62.127 63.200 -0.008 0.000 0.775 1041 S HN 0.045 nan 8.310 nan 0.000 0.531 1042 S N -0.697 114.835 115.700 -0.279 0.000 3.228 1042 S HA -0.126 4.344 4.470 0.000 0.000 0.282 1042 S C 0.362 174.607 174.600 -0.591 0.000 1.286 1042 S CA 0.627 58.634 58.200 -0.321 0.000 1.066 1042 S CB -2.171 60.976 63.200 -0.088 0.000 1.277 1042 S HN 1.302 nan 8.310 nan 0.000 0.661 1043 A N -0.178 122.117 122.820 -0.876 0.000 2.288 1043 A HA 0.902 5.223 4.320 0.000 0.000 0.328 1043 A C -0.502 176.512 177.584 -0.949 0.000 1.123 1043 A CA -0.461 50.903 52.037 -1.122 0.000 0.861 1043 A CB 0.752 18.619 19.000 -1.887 0.000 1.272 1043 A HN 0.273 nan 8.150 nan 0.000 0.490 1044 F N -0.876 118.823 119.950 -0.418 0.000 2.563 1044 F HA 0.721 5.248 4.527 0.000 0.000 0.316 1044 F C 0.498 176.226 175.800 -0.120 0.000 1.076 1044 F CA 0.036 57.918 58.000 -0.197 0.000 0.921 1044 F CB 2.497 41.400 39.000 -0.162 0.000 1.209 1044 F HN 0.822 nan 8.300 nan 0.000 0.462 1045 A N 0.794 123.699 122.820 0.141 0.000 2.593 1045 A HA 0.763 5.083 4.320 0.000 0.000 0.290 1045 A C 0.401 178.023 177.584 0.063 0.000 1.126 1045 A CA -0.165 51.939 52.037 0.111 0.000 0.695 1045 A CB 0.761 19.826 19.000 0.109 0.000 1.290 1045 A HN 0.974 nan 8.150 nan 0.000 0.414 1046 A N -0.044 122.791 122.820 0.024 0.000 1.903 1046 A HA 0.197 4.517 4.320 0.000 0.000 0.219 1046 A C 0.664 177.996 177.584 -0.421 0.000 1.191 1046 A CA 1.893 53.810 52.037 -0.199 0.000 0.638 1046 A CB -0.643 18.317 19.000 -0.067 0.000 0.823 1046 A HN 0.769 nan 8.150 nan 0.000 0.451 1047 F N -3.194 116.810 119.950 0.090 0.000 2.697 1047 F HA 0.439 4.967 4.527 0.000 0.000 0.386 1047 F C 1.344 177.283 175.800 0.232 0.000 1.154 1047 F CA -0.108 58.018 58.000 0.210 0.000 1.108 1047 F CB 1.319 40.404 39.000 0.141 0.000 1.429 1047 F HN -0.070 nan 8.300 nan 0.000 0.509 1048 V N -1.996 118.172 119.914 0.423 0.000 3.590 1048 V HA 0.200 4.320 4.120 0.000 0.000 0.265 1048 V C 0.935 177.116 176.094 0.144 0.000 1.239 1048 V CA 0.809 63.238 62.300 0.216 0.000 1.117 1048 V CB -0.435 31.463 31.823 0.125 0.000 0.818 1048 V HN 0.730 nan 8.190 nan 0.000 0.451 1049 K N 0.596 121.095 120.400 0.165 0.000 2.361 1049 K HA 0.252 4.573 4.320 0.000 0.000 0.194 1049 K C 1.191 177.840 176.600 0.082 0.000 1.032 1049 K CA -0.265 56.073 56.287 0.084 0.000 1.048 1049 K CB 0.409 32.930 32.500 0.035 0.000 0.842 1049 K HN 0.444 nan 8.250 nan 0.000 0.526 1050 R N 1.339 121.923 120.500 0.141 0.000 2.615 1050 R HA 0.299 4.639 4.340 0.000 0.000 0.270 1050 R C -0.659 175.704 176.300 0.105 0.000 1.081 1050 R CA -0.184 55.994 56.100 0.130 0.000 1.154 1050 R CB 0.714 31.142 30.300 0.213 0.000 1.063 1050 R HN -0.004 nan 8.270 nan 0.000 0.519 1051 A N 4.979 127.856 122.820 0.094 0.000 2.440 1051 A HA 0.290 4.611 4.320 0.000 0.000 0.251 1051 A C -2.068 175.580 177.584 0.107 0.000 1.089 1051 A CA -1.378 50.717 52.037 0.097 0.000 0.779 1051 A CB -0.069 18.991 19.000 0.100 0.000 1.022 1051 A HN 0.604 nan 8.150 nan 0.000 0.492 1052 P HA 0.042 nan 4.420 nan 0.000 0.266 1052 P C -0.138 177.260 177.300 0.163 0.000 1.195 1052 P CA 0.203 63.324 63.100 0.036 0.000 0.768 1052 P CB 0.796 32.413 31.700 -0.138 0.000 0.838 1053 S N 1.580 117.370 115.700 0.150 0.000 2.499 1053 S HA 0.226 4.697 4.470 0.000 0.000 0.279 1053 S C 1.390 176.197 174.600 0.346 0.000 1.219 1053 S CA -0.356 57.988 58.200 0.239 0.000 1.062 1053 S CB 0.131 63.462 63.200 0.219 0.000 0.978 1053 S HN 0.388 nan 8.310 nan 0.000 0.489 1054 T N 4.284 119.080 114.554 0.404 0.000 2.701 1054 T HA -0.108 4.243 4.350 0.000 0.000 0.263 1054 T C 1.222 176.141 174.700 0.364 0.000 1.040 1054 T CA 1.591 63.956 62.100 0.441 0.000 1.147 1054 T CB -0.459 68.602 68.868 0.321 0.000 0.865 1054 T HN 0.880 nan 8.240 nan 0.000 0.426 1055 W N 1.298 122.676 121.300 0.131 0.000 2.381 1055 W HA -0.004 4.656 4.660 0.000 0.000 0.301 1055 W C 1.923 178.509 176.519 0.113 0.000 1.205 1055 W CA 0.416 57.792 57.345 0.052 0.000 1.285 1055 W CB -0.461 28.916 29.460 -0.139 0.000 1.133 1055 W HN 0.122 nan 8.180 nan 0.000 0.521 1056 L N 0.670 122.125 121.223 0.387 0.000 2.017 1056 L HA -0.173 4.167 4.340 0.000 0.000 0.208 1056 L C 2.331 179.189 176.870 -0.020 0.000 1.073 1056 L CA 2.765 57.721 54.840 0.193 0.000 0.745 1056 L CB -1.311 40.905 42.059 0.261 0.000 0.894 1056 L HN -0.076 nan 8.230 nan 0.000 0.432 1057 T N -0.292 114.311 114.554 0.081 0.000 2.881 1057 T HA -0.103 4.247 4.350 0.000 0.000 0.270 1057 T C 1.737 176.437 174.700 0.000 0.000 1.068 1057 T CA 1.093 63.240 62.100 0.077 0.000 1.131 1057 T CB -0.426 68.530 68.868 0.147 0.000 0.871 1057 T HN 0.497 nan 8.240 nan 0.000 0.479 1058 A N -0.412 122.409 122.820 0.001 0.000 2.123 1058 A HA 0.141 4.461 4.320 0.000 0.000 0.214 1058 A C 1.883 179.387 177.584 -0.134 0.000 1.152 1058 A CA 0.479 52.486 52.037 -0.051 0.000 0.728 1058 A CB -0.473 18.564 19.000 0.063 0.000 0.814 1058 A HN 0.524 nan 8.150 nan 0.000 0.464 1059 Y N -0.203 119.847 120.300 -0.417 0.000 2.389 1059 Y HA 0.030 4.580 4.550 0.000 0.000 0.292 1059 Y C 2.188 177.816 175.900 -0.453 0.000 1.117 1059 Y CA 0.991 58.786 58.100 -0.508 0.000 1.195 1059 Y CB -0.065 37.864 38.460 -0.885 0.000 1.076 1059 Y HN 0.039 nan 8.280 nan 0.000 0.548 1060 V N -0.734 118.869 119.914 -0.518 0.000 2.282 1060 V HA -0.332 3.788 4.120 0.000 0.000 0.249 1060 V C 2.329 177.992 176.094 -0.717 0.000 1.057 1060 V CA 1.946 63.739 62.300 -0.845 0.000 1.032 1060 V CB -1.097 30.035 31.823 -1.153 0.000 0.645 1060 V HN 0.272 nan 8.190 nan 0.000 0.447 1061 V N -0.095 119.560 119.914 -0.431 0.000 2.343 1061 V HA -0.312 3.808 4.120 0.000 0.000 0.247 1061 V C 2.438 178.403 176.094 -0.214 0.000 1.051 1061 V CA 2.445 64.598 62.300 -0.244 0.000 1.036 1061 V CB -0.692 31.038 31.823 -0.155 0.000 0.654 1061 V HN 0.589 nan 8.190 nan 0.000 0.451 1062 K N -0.083 120.119 120.400 -0.330 0.000 2.002 1062 K HA -0.168 4.152 4.320 0.000 0.000 0.209 1062 K C 2.144 178.593 176.600 -0.252 0.000 1.048 1062 K CA 1.897 57.995 56.287 -0.315 0.000 0.930 1062 K CB -0.280 31.948 32.500 -0.454 0.000 0.714 1062 K HN 0.288 nan 8.250 nan 0.000 0.438 1063 V N 0.994 120.625 119.914 -0.472 0.000 2.261 1063 V HA -0.222 3.898 4.120 0.000 0.000 0.246 1063 V C 2.195 178.388 176.094 0.165 0.000 1.047 1063 V CA 1.706 63.886 62.300 -0.200 0.000 1.015 1063 V CB -0.556 31.064 31.823 -0.340 0.000 0.642 1063 V HN 0.266 nan 8.190 nan 0.000 0.446 1064 F N 0.646 120.502 119.950 -0.157 0.000 2.365 1064 F HA -0.079 4.448 4.527 0.000 0.000 0.300 1064 F C 2.557 178.326 175.800 -0.053 0.000 1.090 1064 F CA 1.165 59.128 58.000 -0.062 0.000 1.408 1064 F CB -1.076 37.916 39.000 -0.014 0.000 1.060 1064 F HN 0.104 nan 8.300 nan 0.000 0.534 1065 S N -0.367 115.407 115.700 0.123 0.000 2.489 1065 S HA -0.003 4.467 4.470 0.000 0.000 0.228 1065 S C 1.965 176.580 174.600 0.024 0.000 0.995 1065 S CA 0.310 58.542 58.200 0.053 0.000 0.934 1065 S CB -0.110 63.099 63.200 0.016 0.000 0.771 1065 S HN 0.359 nan 8.310 nan 0.000 0.522 1066 L N 0.442 121.685 121.223 0.034 0.000 2.515 1066 L HA 0.392 4.732 4.340 0.000 0.000 0.223 1066 L C 1.375 178.204 176.870 -0.069 0.000 1.079 1066 L CA 0.225 55.042 54.840 -0.040 0.000 0.857 1066 L CB -0.010 42.039 42.059 -0.016 0.000 1.050 1066 L HN 0.232 nan 8.230 nan 0.000 0.476 1067 A N -0.817 121.982 122.820 -0.035 0.000 2.833 1067 A HA 0.292 4.612 4.320 0.000 0.000 0.293 1067 A C 1.432 178.943 177.584 -0.120 0.000 1.338 1067 A CA 0.389 52.378 52.037 -0.079 0.000 0.959 1067 A CB -0.616 18.319 19.000 -0.109 0.000 1.094 1067 A HN 0.253 nan 8.150 nan 0.000 0.569 1068 V N -2.589 117.278 119.914 -0.078 0.000 2.446 1068 V HA -0.123 3.997 4.120 0.000 0.000 0.244 1068 V C 1.531 177.579 176.094 -0.076 0.000 1.039 1068 V CA 2.087 64.339 62.300 -0.081 0.000 1.045 1068 V CB -1.058 30.742 31.823 -0.037 0.000 0.681 1068 V HN 0.491 nan 8.190 nan 0.000 0.459 1069 N N 0.621 119.293 118.700 -0.045 0.000 2.463 1069 N HA 0.198 4.938 4.740 0.000 0.000 0.181 1069 N C 1.568 177.053 175.510 -0.042 0.000 1.078 1069 N CA 0.852 53.883 53.050 -0.032 0.000 0.902 1069 N CB -0.151 38.336 38.487 0.000 0.000 0.970 1069 N HN 0.488 nan 8.380 nan 0.000 0.451 1070 L N 0.056 121.245 121.223 -0.057 0.000 2.121 1070 L HA 0.253 4.593 4.340 0.000 0.000 0.200 1070 L C 1.024 177.830 176.870 -0.107 0.000 1.077 1070 L CA 0.557 55.359 54.840 -0.062 0.000 0.766 1070 L CB -0.427 41.606 42.059 -0.044 0.000 0.931 1070 L HN 0.130 nan 8.230 nan 0.000 0.452 1071 I N -2.884 117.585 120.570 -0.169 0.000 3.170 1071 I HA 0.657 4.828 4.170 0.000 0.000 0.312 1071 I C -0.199 175.747 176.117 -0.284 0.000 1.085 1071 I CA -1.209 59.950 61.300 -0.234 0.000 0.999 1071 I CB 1.763 39.570 38.000 -0.321 0.000 1.233 1071 I HN -0.173 nan 8.210 nan 0.000 0.467 1072 A N 3.884 126.517 122.820 -0.312 0.000 2.666 1072 A HA 0.462 4.782 4.320 0.000 0.000 0.312 1072 A C -0.049 177.271 177.584 -0.439 0.000 1.471 1072 A CA -0.357 51.519 52.037 -0.269 0.000 1.134 1072 A CB -0.843 18.065 19.000 -0.153 0.000 1.129 1072 A HN 0.464 nan 8.150 nan 0.000 0.539 1073 I N 2.163 122.507 120.570 -0.378 0.000 2.452 1073 I HA 0.060 4.230 4.170 0.000 0.000 0.287 1073 I C 0.425 176.542 176.117 0.000 0.000 1.079 1073 I CA -0.219 60.905 61.300 -0.292 0.000 1.387 1073 I CB 0.361 38.276 38.000 -0.140 0.000 1.404 1073 I HN 0.518 nan 8.210 nan 0.000 0.522 1074 D N 4.169 124.687 120.400 0.197 0.000 2.424 1074 D HA 0.070 4.710 4.640 0.000 0.000 0.244 1074 D C 1.016 177.416 176.300 0.166 0.000 1.134 1074 D CA 0.297 54.411 54.000 0.190 0.000 0.881 1074 D CB 1.158 42.108 40.800 0.249 0.000 1.191 1074 D HN 0.437 nan 8.370 nan 0.000 0.445 1075 S N 2.313 118.078 115.700 0.108 0.000 2.414 1075 S HA -0.117 4.353 4.470 0.000 0.000 0.227 1075 S C 1.715 176.373 174.600 0.097 0.000 1.022 1075 S CA 0.432 58.687 58.200 0.092 0.000 0.958 1075 S CB 0.019 63.256 63.200 0.061 0.000 0.797 1075 S HN 0.552 nan 8.310 nan 0.000 0.493 1076 Q N 0.758 120.615 119.800 0.095 0.000 2.124 1076 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 1076 Q C 2.354 178.414 176.000 0.099 0.000 0.977 1076 Q CA 1.105 56.957 55.803 0.083 0.000 0.850 1076 Q CB -0.540 28.239 28.738 0.069 0.000 0.901 1076 Q HN 0.447 nan 8.270 nan 0.000 0.429 1077 V N 0.938 120.938 119.914 0.144 0.000 2.302 1077 V HA -0.194 3.926 4.120 0.000 0.000 0.243 1077 V C 2.271 178.481 176.094 0.193 0.000 1.036 1077 V CA 1.198 63.605 62.300 0.179 0.000 1.020 1077 V CB -0.640 31.342 31.823 0.266 0.000 0.657 1077 V HN 0.209 nan 8.190 nan 0.000 0.453 1078 L N 0.319 121.669 121.223 0.212 0.000 2.017 1078 L HA -0.150 4.191 4.340 0.000 0.000 0.208 1078 L C 2.280 179.217 176.870 0.113 0.000 1.073 1078 L CA 2.233 57.174 54.840 0.169 0.000 0.745 1078 L CB -0.895 41.276 42.059 0.185 0.000 0.894 1078 L HN 0.380 nan 8.230 nan 0.000 0.432 1079 c N 0.015 118.678 118.600 0.104 0.000 2.464 1079 c HA 0.136 4.706 4.570 0.000 0.000 0.278 1079 c C 2.718 176.865 174.090 0.095 0.000 1.375 1079 c CA 0.192 56.572 56.329 0.085 0.000 1.761 1079 c CB -1.862 40.690 42.510 0.071 0.000 1.944 1079 c HN 0.744 nan 8.230 nan 0.000 0.509 1080 G N 0.747 109.606 108.800 0.098 0.000 2.408 1080 G HA2 -0.003 3.957 3.960 0.000 0.000 0.217 1080 G HA3 -0.003 3.957 3.960 0.000 0.000 0.217 1080 G C 1.818 176.799 174.900 0.135 0.000 1.150 1080 G CA 0.954 46.112 45.100 0.096 0.000 0.776 1080 G HN 0.589 nan 8.290 nan 0.000 0.542 1081 A N -0.105 122.797 122.820 0.137 0.000 2.016 1081 A HA 0.268 4.589 4.320 0.000 0.000 0.217 1081 A C 2.498 180.228 177.584 0.244 0.000 1.162 1081 A CA 1.312 53.461 52.037 0.187 0.000 0.662 1081 A CB -0.235 18.878 19.000 0.189 0.000 0.812 1081 A HN 0.217 nan 8.150 nan 0.000 0.450 1082 V N 0.225 120.233 119.914 0.156 0.000 2.379 1082 V HA -0.210 3.911 4.120 0.000 0.000 0.245 1082 V C 2.499 178.680 176.094 0.145 0.000 1.044 1082 V CA 2.211 64.584 62.300 0.121 0.000 1.036 1082 V CB -0.499 31.366 31.823 0.070 0.000 0.664 1082 V HN 0.676 nan 8.190 nan 0.000 0.453 1083 K N -1.162 119.327 120.400 0.148 0.000 2.097 1083 K HA -0.257 4.063 4.320 0.000 0.000 0.205 1083 K C 2.038 178.738 176.600 0.167 0.000 1.050 1083 K CA 1.913 58.279 56.287 0.131 0.000 0.938 1083 K CB -0.251 32.316 32.500 0.113 0.000 0.718 1083 K HN 0.582 nan 8.250 nan 0.000 0.442 1084 W N 1.519 122.844 121.300 0.040 0.000 2.379 1084 W HA -0.151 4.509 4.660 0.001 0.000 0.307 1084 W C 1.497 178.061 176.519 0.074 0.000 1.200 1084 W CA 1.195 58.566 57.345 0.043 0.000 1.297 1084 W CB -0.311 29.165 29.460 0.027 0.000 1.140 1084 W HN -0.022 nan 8.180 nan 0.000 0.507 1085 L N 0.355 121.694 121.223 0.193 0.000 2.012 1085 L HA -0.286 4.054 4.340 0.000 0.000 0.210 1085 L C 2.456 179.351 176.870 0.042 0.000 1.073 1085 L CA 1.834 56.679 54.840 0.009 0.000 0.748 1085 L CB -0.832 41.321 42.059 0.157 0.000 0.891 1085 L HN 0.072 nan 8.230 nan 0.000 0.431 1086 I N -0.627 120.002 120.570 0.098 0.000 2.163 1086 I HA -0.321 3.849 4.170 0.000 0.000 0.240 1086 I C 2.317 178.409 176.117 -0.042 0.000 1.081 1086 I CA 1.447 62.806 61.300 0.098 0.000 1.353 1086 I CB -0.233 37.817 38.000 0.084 0.000 1.054 1086 I HN 0.195 nan 8.210 nan 0.000 0.407 1087 L N -0.157 121.019 121.223 -0.077 0.000 2.240 1087 L HA -0.087 4.253 4.340 0.000 0.000 0.211 1087 L C 2.395 179.154 176.870 -0.184 0.000 1.106 1087 L CA 0.840 55.618 54.840 -0.104 0.000 0.793 1087 L CB -0.263 41.762 42.059 -0.058 0.000 0.927 1087 L HN 0.267 nan 8.230 nan 0.000 0.446 1088 E N -0.461 119.540 120.200 -0.333 0.000 2.228 1088 E HA 0.049 4.399 4.350 0.000 0.000 0.197 1088 E C 1.039 177.401 176.600 -0.397 0.000 0.909 1088 E CA 0.461 56.604 56.400 -0.429 0.000 0.911 1088 E CB 0.263 29.500 29.700 -0.771 0.000 0.887 1088 E HN 0.124 nan 8.360 nan 0.000 0.481 1089 K N 1.398 121.527 120.400 -0.452 0.000 2.576 1089 K HA 0.218 4.538 4.320 0.000 0.000 0.209 1089 K C 0.030 176.558 176.600 -0.120 0.000 1.049 1089 K CA -0.033 56.104 56.287 -0.251 0.000 1.140 1089 K CB 0.771 33.112 32.500 -0.265 0.000 0.871 1089 K HN 0.111 nan 8.250 nan 0.000 0.479 1090 Q N 1.222 120.855 119.800 -0.277 0.000 2.331 1090 Q HA 0.238 4.578 4.340 0.000 0.000 0.267 1090 Q C -0.867 174.897 176.000 -0.393 0.000 1.006 1090 Q CA -0.495 54.965 55.803 -0.572 0.000 0.818 1090 Q CB 1.439 29.758 28.738 -0.698 0.000 1.276 1090 Q HN -0.013 nan 8.270 nan 0.000 0.450 1091 K N 3.775 123.933 120.400 -0.403 0.000 2.219 1091 K HA 0.131 4.451 4.320 0.000 0.000 0.258 1091 K C -1.801 174.641 176.600 -0.263 0.000 1.008 1091 K CA -1.537 54.580 56.287 -0.284 0.000 0.928 1091 K CB 0.488 32.824 32.500 -0.274 0.000 0.983 1091 K HN 0.417 nan 8.250 nan 0.000 0.484 1092 P HA -0.240 nan 4.420 nan 0.000 0.216 1092 P C 0.499 177.717 177.300 -0.137 0.000 1.157 1092 P CA 1.547 64.564 63.100 -0.137 0.000 0.880 1092 P CB 0.042 31.685 31.700 -0.096 0.000 0.791 1093 D N -2.149 118.162 120.400 -0.148 0.000 2.371 1093 D HA -0.006 4.634 4.640 0.000 0.000 0.221 1093 D C 1.499 177.713 176.300 -0.142 0.000 0.986 1093 D CA 1.261 55.199 54.000 -0.104 0.000 0.899 1093 D CB -0.786 39.974 40.800 -0.066 0.000 0.902 1093 D HN 0.333 nan 8.370 nan 0.000 0.530 1094 G N -0.693 107.946 108.800 -0.268 0.000 2.253 1094 G HA2 -0.225 3.735 3.960 0.000 0.000 0.209 1094 G HA3 -0.225 3.735 3.960 0.000 0.000 0.209 1094 G C 0.208 174.797 174.900 -0.519 0.000 0.997 1094 G CA -0.027 44.887 45.100 -0.310 0.000 0.640 1094 G HN 0.354 nan 8.290 nan 0.000 0.496 1095 V N 1.488 121.045 119.914 -0.595 0.000 2.843 1095 V HA 0.490 4.611 4.120 0.000 0.000 0.305 1095 V C 0.448 176.220 176.094 -0.537 0.000 1.065 1095 V CA 0.306 62.266 62.300 -0.568 0.000 1.116 1095 V CB 0.617 32.008 31.823 -0.719 0.000 0.968 1095 V HN 0.208 nan 8.190 nan 0.000 0.487 1096 F N 2.411 122.290 119.950 -0.118 0.000 2.427 1096 F HA 0.465 4.992 4.527 0.000 0.000 0.346 1096 F C 0.317 176.095 175.800 -0.038 0.000 1.120 1096 F CA -0.270 57.693 58.000 -0.062 0.000 1.033 1096 F CB 1.367 40.368 39.000 0.001 0.000 1.126 1096 F HN 0.463 nan 8.300 nan 0.000 0.462 1097 Q N 3.007 122.863 119.800 0.094 0.000 2.307 1097 Q HA 0.278 4.618 4.340 0.000 0.000 0.262 1097 Q C -0.839 175.223 176.000 0.104 0.000 0.961 1097 Q CA -0.950 54.889 55.803 0.061 0.000 0.882 1097 Q CB 1.623 30.356 28.738 -0.008 0.000 1.264 1097 Q HN 0.635 nan 8.270 nan 0.000 0.446 1098 E N 2.837 123.103 120.200 0.111 0.000 2.290 1098 E HA 0.041 4.391 4.350 0.000 0.000 0.277 1098 E C -0.766 175.893 176.600 0.097 0.000 1.035 1098 E CA 0.330 56.807 56.400 0.128 0.000 0.873 1098 E CB 0.887 30.654 29.700 0.113 0.000 1.029 1098 E HN 0.598 nan 8.360 nan 0.000 0.419 1099 D N 2.966 123.439 120.400 0.122 0.000 2.479 1099 D HA 0.213 4.853 4.640 0.000 0.000 0.221 1099 D C -0.625 175.737 176.300 0.104 0.000 1.104 1099 D CA 0.310 54.369 54.000 0.099 0.000 0.849 1099 D CB 0.799 41.660 40.800 0.102 0.000 1.072 1099 D HN 0.373 nan 8.370 nan 0.000 0.502 1100 A N 1.867 124.765 122.820 0.129 0.000 2.943 1100 A HA 0.511 4.831 4.320 0.000 0.000 0.327 1100 A C -2.721 174.926 177.584 0.104 0.000 1.141 1100 A CA -1.152 50.953 52.037 0.114 0.000 0.773 1100 A CB 0.810 19.891 19.000 0.135 0.000 1.143 1100 A HN -0.215 nan 8.150 nan 0.000 0.463 1101 P HA 0.148 nan 4.420 nan 0.000 0.265 1101 P C 0.520 177.833 177.300 0.021 0.000 1.187 1101 P CA 0.196 63.310 63.100 0.023 0.000 0.766 1101 P CB 0.621 32.313 31.700 -0.013 0.000 0.820 1102 V N 2.062 121.969 119.914 -0.010 0.000 2.740 1102 V HA 0.056 4.176 4.120 0.000 0.000 0.303 1102 V C 1.650 177.724 176.094 -0.032 0.000 1.054 1102 V CA 0.091 62.392 62.300 0.002 0.000 1.106 1102 V CB -0.263 31.545 31.823 -0.026 0.000 0.957 1102 V HN 0.446 nan 8.190 nan 0.000 0.486 1103 I N 1.576 122.145 120.570 -0.000 0.000 2.315 1103 I HA -0.087 4.084 4.170 0.000 0.000 0.248 1103 I C 1.150 177.163 176.117 -0.172 0.000 1.117 1103 I CA 1.054 62.314 61.300 -0.067 0.000 1.404 1103 I CB -0.557 37.413 38.000 -0.051 0.000 1.071 1103 I HN 0.706 nan 8.210 nan 0.000 0.419 1104 H N 3.770 122.799 119.070 -0.069 0.000 3.008 1104 H HA 0.162 4.718 4.556 0.000 0.000 0.268 1104 H C 0.501 175.716 175.328 -0.188 0.000 1.323 1104 H CA -0.023 55.965 56.048 -0.100 0.000 1.401 1104 H CB 0.677 30.383 29.762 -0.094 0.000 1.556 1104 H HN 0.301 nan 8.280 nan 0.000 0.502 1105 Q N 1.813 121.549 119.800 -0.107 0.000 2.373 1105 Q HA -0.059 4.281 4.340 0.000 0.000 0.206 1105 Q C 1.414 177.291 176.000 -0.204 0.000 0.942 1105 Q CA 0.305 55.996 55.803 -0.187 0.000 0.953 1105 Q CB 0.447 29.100 28.738 -0.142 0.000 1.022 1105 Q HN 0.739 nan 8.270 nan 0.000 0.502 1106 E N -0.540 119.544 120.200 -0.193 0.000 2.447 1106 E HA -0.067 4.283 4.350 0.000 0.000 0.204 1106 E C 1.652 178.099 176.600 -0.254 0.000 0.977 1106 E CA 0.204 56.452 56.400 -0.253 0.000 0.950 1106 E CB -0.272 29.138 29.700 -0.483 0.000 0.975 1106 E HN 0.394 nan 8.360 nan 0.000 0.496 1107 M N 0.683 120.130 119.600 -0.255 0.000 2.492 1107 M HA 0.187 4.667 4.480 0.000 0.000 0.262 1107 M C 2.090 178.181 176.300 -0.348 0.000 1.090 1107 M CA 0.965 56.126 55.300 -0.232 0.000 1.110 1107 M CB -0.708 31.786 32.600 -0.176 0.000 1.407 1107 M HN 0.093 nan 8.290 nan 0.000 0.470 1108 I N -1.748 118.460 120.570 -0.604 0.000 3.059 1108 I HA 0.425 4.595 4.170 0.000 0.000 0.270 1108 I C 1.336 177.221 176.117 -0.387 0.000 1.238 1108 I CA 0.403 61.155 61.300 -0.914 0.000 1.478 1108 I CB -0.783 36.406 38.000 -1.352 0.000 1.097 1108 I HN 0.497 nan 8.210 nan 0.000 0.455 1109 G N 1.700 110.361 108.800 -0.232 0.000 2.596 1109 G HA2 -0.294 3.667 3.960 0.000 0.000 0.258 1109 G HA3 -0.294 3.667 3.960 0.000 0.000 0.258 1109 G C 0.756 175.314 174.900 -0.570 0.000 1.207 1109 G CA -0.029 45.008 45.100 -0.106 0.000 0.954 1109 G HN 0.602 nan 8.290 nan 0.000 0.551 1110 G N -0.265 108.081 108.800 -0.756 0.000 3.088 1110 G HA2 0.420 4.380 3.960 0.000 0.000 0.212 1110 G HA3 0.420 4.380 3.960 0.000 0.000 0.212 1110 G C 1.484 175.910 174.900 -0.790 0.000 1.173 1110 G CA 1.126 45.372 45.100 -1.423 0.000 0.779 1110 G HN 0.573 nan 8.290 nan 0.000 0.540 1111 L N -0.302 120.670 121.223 -0.420 0.000 2.270 1111 L HA 0.244 4.584 4.340 0.000 0.000 0.210 1111 L C 2.654 179.348 176.870 -0.292 0.000 1.104 1111 L CA 0.591 55.286 54.840 -0.242 0.000 0.804 1111 L CB -0.263 41.643 42.059 -0.254 0.000 0.937 1111 L HN 0.156 nan 8.230 nan 0.000 0.450 1112 R N 0.405 120.675 120.500 -0.383 0.000 2.103 1112 R HA -0.176 4.165 4.340 0.000 0.000 0.242 1112 R C 0.926 177.094 176.300 -0.219 0.000 1.142 1112 R CA 0.892 56.820 56.100 -0.287 0.000 0.960 1112 R CB -0.243 29.899 30.300 -0.262 0.000 0.858 1112 R HN 0.267 nan 8.270 nan 0.000 0.439 1113 N N 1.599 120.131 118.700 -0.280 0.000 2.417 1113 N HA -0.096 4.644 4.740 0.000 0.000 0.272 1113 N C -0.448 174.995 175.510 -0.111 0.000 1.304 1113 N CA 0.610 53.552 53.050 -0.180 0.000 0.906 1113 N CB 0.094 38.448 38.487 -0.222 0.000 1.135 1113 N HN 0.296 nan 8.380 nan 0.000 0.483 1114 N N 2.292 120.949 118.700 -0.071 0.000 2.609 1114 N HA -0.073 4.667 4.740 0.000 0.000 0.190 1114 N C -0.612 174.887 175.510 -0.018 0.000 1.157 1114 N CA 0.106 53.130 53.050 -0.042 0.000 0.918 1114 N CB 0.047 38.515 38.487 -0.031 0.000 0.978 1114 N HN 0.447 nan 8.380 nan 0.000 0.448 1115 N N 1.969 120.658 118.700 -0.017 0.000 2.411 1115 N HA 0.034 4.774 4.740 0.000 0.000 0.259 1115 N C -0.496 175.029 175.510 0.024 0.000 1.103 1115 N CA 0.376 53.428 53.050 0.004 0.000 0.954 1115 N CB 0.535 39.024 38.487 0.004 0.000 1.085 1115 N HN 0.117 nan 8.380 nan 0.000 0.485 1116 E N 0.421 120.641 120.200 0.033 0.000 2.240 1116 E HA -0.268 4.082 4.350 0.000 0.000 0.194 1116 E C 0.153 176.796 176.600 0.072 0.000 1.385 1116 E CA 0.417 56.850 56.400 0.054 0.000 0.686 1116 E CB -0.775 28.952 29.700 0.045 0.000 1.125 1116 E HN 0.687 nan 8.360 nan 0.000 0.359 1117 K N -0.837 119.601 120.400 0.063 0.000 2.444 1117 K HA 0.005 4.325 4.320 0.000 0.000 0.193 1117 K C 0.677 177.338 176.600 0.102 0.000 1.024 1117 K CA 0.393 56.722 56.287 0.070 0.000 1.077 1117 K CB 0.485 33.004 32.500 0.032 0.000 0.833 1117 K HN -0.023 nan 8.250 nan 0.000 0.517 1118 D N 0.691 121.163 120.400 0.121 0.000 2.277 1118 D HA 0.002 4.642 4.640 0.000 0.000 0.208 1118 D C 1.615 178.074 176.300 0.265 0.000 0.962 1118 D CA 0.904 54.998 54.000 0.156 0.000 0.865 1118 D CB 0.224 41.134 40.800 0.183 0.000 0.939 1118 D HN 0.239 nan 8.370 nan 0.000 0.510 1119 M N -0.322 119.422 119.600 0.240 0.000 2.718 1119 M HA 0.221 4.702 4.480 0.000 0.000 0.259 1119 M C 2.203 178.607 176.300 0.174 0.000 1.240 1119 M CA 0.350 55.796 55.300 0.244 0.000 1.210 1119 M CB -0.722 31.963 32.600 0.143 0.000 1.281 1119 M HN -0.070 nan 8.290 nan 0.000 0.515 1120 A N 0.745 123.644 122.820 0.133 0.000 1.908 1120 A HA -0.175 4.146 4.320 0.000 0.000 0.218 1120 A C 2.171 179.862 177.584 0.179 0.000 1.181 1120 A CA 1.549 53.657 52.037 0.119 0.000 0.627 1120 A CB -0.896 18.192 19.000 0.146 0.000 0.818 1120 A HN 0.388 nan 8.150 nan 0.000 0.445 1121 L N -0.542 120.796 121.223 0.193 0.000 2.072 1121 L HA -0.038 4.302 4.340 0.000 0.000 0.205 1121 L C 2.365 179.395 176.870 0.266 0.000 1.079 1121 L CA 2.604 57.590 54.840 0.244 0.000 0.752 1121 L CB -0.825 41.358 42.059 0.206 0.000 0.906 1121 L HN 0.339 nan 8.230 nan 0.000 0.436 1122 T N -0.374 114.343 114.554 0.271 0.000 3.007 1122 T HA -0.026 4.324 4.350 0.000 0.000 0.270 1122 T C 1.761 176.606 174.700 0.242 0.000 1.107 1122 T CA 0.952 63.261 62.100 0.348 0.000 1.118 1122 T CB -0.262 68.809 68.868 0.338 0.000 0.889 1122 T HN 0.475 nan 8.240 nan 0.000 0.506 1123 A N 0.379 123.312 122.820 0.188 0.000 1.943 1123 A HA 0.236 4.557 4.320 0.000 0.000 0.213 1123 A C 1.856 179.489 177.584 0.082 0.000 1.181 1123 A CA 0.368 52.469 52.037 0.108 0.000 0.653 1123 A CB -0.627 18.409 19.000 0.060 0.000 0.833 1123 A HN 0.458 nan 8.150 nan 0.000 0.451 1124 F N 0.851 120.801 119.950 -0.000 0.000 2.098 1124 F HA -0.117 4.410 4.527 0.000 0.000 0.294 1124 F C 2.158 177.915 175.800 -0.073 0.000 1.107 1124 F CA 2.036 60.040 58.000 0.007 0.000 1.234 1124 F CB -0.195 38.862 39.000 0.096 0.000 1.002 1124 F HN 0.005 nan 8.300 nan 0.000 0.472 1125 V N 0.631 120.567 119.914 0.036 0.000 2.568 1125 V HA -0.268 3.852 4.120 0.000 0.000 0.253 1125 V C 2.244 178.095 176.094 -0.405 0.000 1.072 1125 V CA 1.481 63.598 62.300 -0.305 0.000 1.084 1125 V CB -0.836 30.579 31.823 -0.681 0.000 0.676 1125 V HN 0.395 nan 8.190 nan 0.000 0.469 1126 L N 0.056 121.139 121.223 -0.234 0.000 2.005 1126 L HA -0.062 4.278 4.340 0.000 0.000 0.207 1126 L C 2.190 178.962 176.870 -0.165 0.000 1.072 1126 L CA 1.834 56.592 54.840 -0.137 0.000 0.744 1126 L CB -0.514 41.535 42.059 -0.016 0.000 0.895 1126 L HN 0.204 nan 8.230 nan 0.000 0.433 1127 I N -1.027 119.436 120.570 -0.179 0.000 2.208 1127 I HA -0.336 3.834 4.170 0.000 0.000 0.245 1127 I C 2.327 178.332 176.117 -0.187 0.000 1.097 1127 I CA 1.452 62.650 61.300 -0.170 0.000 1.363 1127 I CB -0.516 37.453 38.000 -0.050 0.000 1.051 1127 I HN 0.215 nan 8.210 nan 0.000 0.413 1128 S N 0.802 116.322 115.700 -0.300 0.000 2.382 1128 S HA -0.082 4.388 4.470 0.000 0.000 0.228 1128 S C 1.980 176.475 174.600 -0.176 0.000 1.027 1128 S CA 1.157 59.188 58.200 -0.281 0.000 0.991 1128 S CB -0.295 62.670 63.200 -0.391 0.000 0.823 1128 S HN 0.359 nan 8.310 nan 0.000 0.469 1129 L N 1.133 122.254 121.223 -0.170 0.000 2.156 1129 L HA -0.074 4.266 4.340 0.000 0.000 0.208 1129 L C 2.583 179.411 176.870 -0.071 0.000 1.095 1129 L CA 0.994 55.773 54.840 -0.103 0.000 0.770 1129 L CB -0.429 41.575 42.059 -0.092 0.000 0.914 1129 L HN 0.344 nan 8.230 nan 0.000 0.439 1130 Q N -0.310 119.437 119.800 -0.089 0.000 2.311 1130 Q HA -0.131 4.210 4.340 0.000 0.000 0.203 1130 Q C 1.525 177.491 176.000 -0.057 0.000 0.954 1130 Q CA 0.814 56.571 55.803 -0.077 0.000 0.885 1130 Q CB 0.122 28.790 28.738 -0.116 0.000 0.963 1130 Q HN 0.547 nan 8.270 nan 0.000 0.471 1131 E N 0.122 120.290 120.200 -0.055 0.000 2.478 1131 E HA 0.046 4.396 4.350 0.000 0.000 0.194 1131 E C 0.887 177.477 176.600 -0.015 0.000 1.045 1131 E CA 0.270 56.656 56.400 -0.023 0.000 0.868 1131 E CB 0.375 30.071 29.700 -0.007 0.000 0.885 1131 E HN 0.212 nan 8.360 nan 0.000 0.505 1132 A N 0.794 123.601 122.820 -0.023 0.000 2.465 1132 A HA 0.097 4.417 4.320 0.000 0.000 0.255 1132 A C 1.619 179.204 177.584 0.001 0.000 1.274 1132 A CA -0.215 51.819 52.037 -0.005 0.000 0.920 1132 A CB 0.065 19.061 19.000 -0.006 0.000 1.033 1132 A HN -0.021 nan 8.150 nan 0.000 0.516 1133 K N 0.714 121.110 120.400 -0.007 0.000 1.965 1133 K HA -0.228 4.092 4.320 0.000 0.000 0.218 1133 K C 1.148 177.751 176.600 0.005 0.000 1.048 1133 K CA 2.205 58.490 56.287 -0.003 0.000 0.960 1133 K CB -0.240 32.253 32.500 -0.012 0.000 0.732 1133 K HN 0.287 nan 8.250 nan 0.000 0.444 1134 D N 0.346 120.749 120.400 0.005 0.000 2.190 1134 D HA -0.171 4.469 4.640 0.000 0.000 0.200 1134 D C 1.726 178.034 176.300 0.013 0.000 0.992 1134 D CA 1.302 55.308 54.000 0.009 0.000 0.854 1134 D CB -0.060 40.746 40.800 0.009 0.000 0.936 1134 D HN 0.343 nan 8.370 nan 0.000 0.462 1135 I N -0.692 119.887 120.570 0.016 0.000 2.617 1135 I HA -0.102 4.068 4.170 0.000 0.000 0.256 1135 I C 0.771 176.904 176.117 0.027 0.000 1.167 1135 I CA 0.538 61.852 61.300 0.023 0.000 1.469 1135 I CB 0.191 38.208 38.000 0.029 0.000 1.098 1135 I HN 0.029 nan 8.210 nan 0.000 0.436 1136 c N 0.563 119.178 118.600 0.026 0.000 2.751 1136 c HA 0.262 4.832 4.570 0.000 0.000 0.248 1136 c C 1.706 175.811 174.090 0.025 0.000 1.710 1136 c CA -0.695 55.652 56.329 0.030 0.000 1.676 1136 c CB -0.979 41.553 42.510 0.037 0.000 3.106 1136 c HN 0.379 nan 8.230 nan 0.000 0.502 1137 E N 1.198 121.410 120.200 0.019 0.000 2.075 1137 E HA -0.129 4.221 4.350 0.000 0.000 0.190 1137 E C 1.806 178.416 176.600 0.017 0.000 0.969 1137 E CA 0.914 57.324 56.400 0.016 0.000 0.815 1137 E CB 0.252 29.958 29.700 0.011 0.000 0.776 1137 E HN 0.493 nan 8.360 nan 0.000 0.457 1138 E N 0.603 120.814 120.200 0.017 0.000 2.371 1138 E HA -0.067 4.284 4.350 0.000 0.000 0.194 1138 E C 1.584 178.196 176.600 0.020 0.000 1.012 1138 E CA 0.681 57.091 56.400 0.017 0.000 0.860 1138 E CB 0.284 29.994 29.700 0.015 0.000 0.811 1138 E HN 0.175 nan 8.360 nan 0.000 0.502 1139 Q N -0.986 118.830 119.800 0.025 0.000 2.373 1139 Q HA 0.170 4.510 4.340 0.000 0.000 0.210 1139 Q C -0.374 175.646 176.000 0.033 0.000 0.913 1139 Q CA 0.360 56.181 55.803 0.030 0.000 0.911 1139 Q CB 1.490 30.250 28.738 0.036 0.000 1.040 1139 Q HN 0.017 nan 8.270 nan 0.000 0.521 1140 V N 1.712 121.646 119.914 0.032 0.000 2.409 1140 V HA 0.154 4.275 4.120 0.000 0.000 0.290 1140 V C -0.065 176.045 176.094 0.026 0.000 1.017 1140 V CA -0.434 61.886 62.300 0.033 0.000 0.841 1140 V CB 1.405 33.253 31.823 0.042 0.000 1.003 1140 V HN 0.260 nan 8.190 nan 0.000 0.426 1141 N N 1.939 120.652 118.700 0.022 0.000 2.422 1141 N HA -0.080 4.660 4.740 0.000 0.000 0.181 1141 N C 1.602 177.120 175.510 0.015 0.000 1.080 1141 N CA 0.756 53.816 53.050 0.016 0.000 0.893 1141 N CB 0.310 38.805 38.487 0.013 0.000 0.973 1141 N HN 0.715 nan 8.380 nan 0.000 0.456 1142 S N 0.154 115.865 115.700 0.018 0.000 2.593 1142 S HA 0.073 4.543 4.470 0.000 0.000 0.217 1142 S C 1.632 176.245 174.600 0.022 0.000 0.966 1142 S CA -0.174 58.035 58.200 0.015 0.000 0.914 1142 S CB 0.007 63.215 63.200 0.013 0.000 0.776 1142 S HN 0.118 nan 8.310 nan 0.000 0.523 1143 L N 2.808 124.047 121.223 0.026 0.000 2.027 1143 L HA 0.180 4.520 4.340 0.000 0.000 0.206 1143 L C -1.147 175.737 176.870 0.024 0.000 1.074 1143 L CA 1.592 56.451 54.840 0.031 0.000 0.745 1143 L CB -1.365 40.710 42.059 0.027 0.000 0.898 1143 L HN 0.126 nan 8.230 nan 0.000 0.433 1144 P HA -0.098 nan 4.420 nan 0.000 0.216 1144 P C 1.555 178.861 177.300 0.009 0.000 1.150 1144 P CA 1.743 64.849 63.100 0.009 0.000 0.837 1144 P CB -0.342 31.361 31.700 0.005 0.000 0.786 1145 G N -1.046 107.760 108.800 0.009 0.000 2.421 1145 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 1145 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 1145 G C 1.818 176.722 174.900 0.007 0.000 1.143 1145 G CA 0.876 45.978 45.100 0.003 0.000 0.784 1145 G HN 0.303 nan 8.290 nan 0.000 0.541 1146 S N -0.056 115.658 115.700 0.024 0.000 2.377 1146 S HA 0.038 4.508 4.470 0.000 0.000 0.223 1146 S C 2.391 177.037 174.600 0.076 0.000 1.030 1146 S CA 0.495 58.723 58.200 0.047 0.000 0.970 1146 S CB -0.240 63.019 63.200 0.097 0.000 0.830 1146 S HN 0.334 nan 8.310 nan 0.000 0.473 1147 I N 1.407 122.014 120.570 0.062 0.000 2.118 1147 I HA -0.217 3.953 4.170 0.000 0.000 0.241 1147 I C 2.514 178.653 176.117 0.036 0.000 1.070 1147 I CA 1.739 63.069 61.300 0.048 0.000 1.327 1147 I CB -0.826 37.183 38.000 0.015 0.000 1.034 1147 I HN 0.343 nan 8.210 nan 0.000 0.405 1148 T N 0.312 114.878 114.554 0.020 0.000 2.821 1148 T HA -0.135 4.216 4.350 0.000 0.000 0.267 1148 T C 1.978 176.691 174.700 0.022 0.000 1.046 1148 T CA 0.896 63.003 62.100 0.012 0.000 1.139 1148 T CB -0.084 68.785 68.868 0.002 0.000 0.871 1148 T HN 0.147 nan 8.240 nan 0.000 0.454 1149 K N 1.589 122.001 120.400 0.021 0.000 2.002 1149 K HA 0.109 4.429 4.320 0.000 0.000 0.209 1149 K C 2.587 179.213 176.600 0.044 0.000 1.048 1149 K CA 1.426 57.721 56.287 0.013 0.000 0.930 1149 K CB -0.816 31.666 32.500 -0.030 0.000 0.714 1149 K HN 0.353 nan 8.250 nan 0.000 0.438 1150 A N 0.434 123.295 122.820 0.068 0.000 2.121 1150 A HA -0.039 4.281 4.320 0.000 0.000 0.218 1150 A C 2.256 179.939 177.584 0.166 0.000 1.154 1150 A CA 1.848 53.970 52.037 0.143 0.000 0.679 1150 A CB -0.641 18.542 19.000 0.305 0.000 0.795 1150 A HN 0.410 nan 8.150 nan 0.000 0.458 1151 G N -0.555 108.305 108.800 0.101 0.000 2.453 1151 G HA2 -0.087 3.873 3.960 0.000 0.000 0.215 1151 G HA3 -0.087 3.873 3.960 0.000 0.000 0.215 1151 G C 1.041 175.977 174.900 0.060 0.000 1.147 1151 G CA 0.952 46.089 45.100 0.062 0.000 0.802 1151 G HN 0.421 nan 8.290 nan 0.000 0.535 1152 D N 0.048 120.491 120.400 0.071 0.000 2.117 1152 D HA -0.090 4.550 4.640 0.000 0.000 0.197 1152 D C 1.854 178.213 176.300 0.097 0.000 0.987 1152 D CA 0.434 54.472 54.000 0.062 0.000 0.829 1152 D CB -0.285 40.549 40.800 0.057 0.000 0.961 1152 D HN 0.281 nan 8.370 nan 0.000 0.460 1153 F N 1.040 120.993 119.950 0.006 0.000 2.146 1153 F HA -0.053 4.474 4.527 0.000 0.000 0.298 1153 F C 2.006 177.830 175.800 0.041 0.000 1.096 1153 F CA 1.032 59.041 58.000 0.015 0.000 1.275 1153 F CB -0.179 38.825 39.000 0.007 0.000 1.008 1153 F HN -0.113 nan 8.300 nan 0.000 0.480 1154 L N 0.047 121.333 121.223 0.105 0.000 2.046 1154 L HA -0.216 4.125 4.340 0.000 0.000 0.208 1154 L C 2.501 179.378 176.870 0.011 0.000 1.077 1154 L CA 1.973 56.842 54.840 0.048 0.000 0.747 1154 L CB -0.980 41.164 42.059 0.142 0.000 0.896 1154 L HN 0.251 nan 8.230 nan 0.000 0.432 1155 E N 0.466 120.661 120.200 -0.008 0.000 2.058 1155 E HA -0.250 4.100 4.350 0.000 0.000 0.194 1155 E C 2.214 178.798 176.600 -0.027 0.000 0.997 1155 E CA 1.354 57.734 56.400 -0.033 0.000 0.801 1155 E CB 0.015 29.685 29.700 -0.050 0.000 0.746 1155 E HN 0.453 nan 8.360 nan 0.000 0.450 1156 A N 0.945 123.720 122.820 -0.075 0.000 1.930 1156 A HA -0.109 4.212 4.320 0.000 0.000 0.217 1156 A C 1.548 179.062 177.584 -0.117 0.000 1.175 1156 A CA 1.240 53.223 52.037 -0.090 0.000 0.627 1156 A CB -0.154 18.783 19.000 -0.105 0.000 0.815 1156 A HN 0.227 nan 8.150 nan 0.000 0.443 1157 N N -1.598 116.975 118.700 -0.212 0.000 2.320 1157 N HA 0.121 4.862 4.740 0.000 0.000 0.237 1157 N C 0.344 175.802 175.510 -0.088 0.000 1.129 1157 N CA -0.003 52.916 53.050 -0.218 0.000 0.854 1157 N CB 0.130 38.338 38.487 -0.466 0.000 1.083 1157 N HN 0.626 nan 8.380 nan 0.000 0.504 1158 Y N 0.882 121.113 120.300 -0.115 0.000 2.397 1158 Y HA 0.147 4.697 4.550 0.000 0.000 0.292 1158 Y C 1.942 177.825 175.900 -0.028 0.000 1.115 1158 Y CA 0.878 58.944 58.100 -0.056 0.000 1.208 1158 Y CB 0.348 38.785 38.460 -0.039 0.000 1.046 1158 Y HN -0.045 nan 8.280 nan 0.000 0.552 1159 M N -0.213 119.439 119.600 0.087 0.000 2.619 1159 M HA -0.033 4.447 4.480 0.000 0.000 0.251 1159 M C 0.118 176.403 176.300 -0.025 0.000 1.106 1159 M CA 1.112 56.438 55.300 0.043 0.000 1.086 1159 M CB -0.978 31.651 32.600 0.049 0.000 1.465 1159 M HN 0.387 nan 8.290 nan 0.000 0.506 1160 N N 0.194 118.859 118.700 -0.059 0.000 2.275 1160 N HA 0.277 5.017 4.740 0.000 0.000 0.236 1160 N C -0.597 174.867 175.510 -0.078 0.000 1.154 1160 N CA -0.175 52.839 53.050 -0.060 0.000 0.866 1160 N CB 0.780 39.234 38.487 -0.055 0.000 1.093 1160 N HN 0.201 nan 8.380 nan 0.000 0.515 1161 L N 0.840 121.990 121.223 -0.122 0.000 2.307 1161 L HA 0.317 4.657 4.340 0.000 0.000 0.282 1161 L C 0.957 177.774 176.870 -0.089 0.000 1.051 1161 L CA -0.500 54.263 54.840 -0.128 0.000 0.804 1161 L CB 1.507 43.426 42.059 -0.234 0.000 1.197 1161 L HN 0.090 nan 8.230 nan 0.000 0.431 1162 Q N 1.482 121.251 119.800 -0.052 0.000 2.442 1162 Q HA 0.204 4.544 4.340 0.000 0.000 0.228 1162 Q C 0.327 176.318 176.000 -0.015 0.000 0.902 1162 Q CA 0.370 56.154 55.803 -0.032 0.000 0.933 1162 Q CB 0.515 29.241 28.738 -0.019 0.000 1.071 1162 Q HN 0.538 nan 8.270 nan 0.000 0.562 1163 R N 0.973 121.476 120.500 0.005 0.000 2.438 1163 R HA 0.199 4.539 4.340 0.000 0.000 0.287 1163 R C 1.225 177.564 176.300 0.066 0.000 1.077 1163 R CA -0.009 56.119 56.100 0.047 0.000 1.034 1163 R CB 0.695 31.045 30.300 0.084 0.000 0.993 1163 R HN 0.028 nan 8.270 nan 0.000 0.459 1164 S N 1.864 117.623 115.700 0.098 0.000 2.402 1164 S HA -0.187 4.283 4.470 0.000 0.000 0.229 1164 S C 1.479 176.223 174.600 0.241 0.000 1.021 1164 S CA 0.948 59.241 58.200 0.155 0.000 0.974 1164 S CB -0.246 63.028 63.200 0.124 0.000 0.800 1164 S HN 0.653 nan 8.310 nan 0.000 0.484 1165 Y N 2.918 123.278 120.300 0.100 0.000 2.181 1165 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 1165 Y C 2.464 178.390 175.900 0.044 0.000 1.146 1165 Y CA 1.852 60.001 58.100 0.081 0.000 1.164 1165 Y CB -0.982 37.501 38.460 0.039 0.000 0.982 1165 Y HN 0.199 nan 8.280 nan 0.000 0.515 1166 T N -0.506 114.044 114.554 -0.006 0.000 2.821 1166 T HA -0.152 4.198 4.350 0.000 0.000 0.267 1166 T C 2.059 176.691 174.700 -0.113 0.000 1.046 1166 T CA 1.565 63.600 62.100 -0.108 0.000 1.139 1166 T CB -0.779 68.073 68.868 -0.026 0.000 0.871 1166 T HN 0.215 nan 8.240 nan 0.000 0.454 1167 V N 1.580 121.464 119.914 -0.049 0.000 2.490 1167 V HA -0.128 3.992 4.120 0.000 0.000 0.250 1167 V C 2.819 179.072 176.094 0.265 0.000 1.061 1167 V CA 1.583 63.883 62.300 0.001 0.000 1.064 1167 V CB -1.163 30.709 31.823 0.081 0.000 0.670 1167 V HN 0.545 nan 8.190 nan 0.000 0.461 1168 A N -0.210 122.695 122.820 0.142 0.000 1.843 1168 A HA -0.076 4.244 4.320 0.000 0.000 0.213 1168 A C 2.219 179.836 177.584 0.055 0.000 1.202 1168 A CA 1.600 53.701 52.037 0.106 0.000 0.607 1168 A CB -0.492 18.430 19.000 -0.130 0.000 0.847 1168 A HN 0.430 nan 8.150 nan 0.000 0.445 1169 I N -0.549 119.879 120.570 -0.238 0.000 2.361 1169 I HA -0.194 3.976 4.170 0.000 0.000 0.251 1169 I C 2.422 178.472 176.117 -0.112 0.000 1.133 1169 I CA 1.234 62.288 61.300 -0.409 0.000 1.413 1169 I CB -0.004 37.472 38.000 -0.874 0.000 1.073 1169 I HN 0.322 nan 8.210 nan 0.000 0.424 1170 A N -0.100 122.715 122.820 -0.008 0.000 2.072 1170 A HA 0.108 4.428 4.320 0.000 0.000 0.216 1170 A C 2.227 179.927 177.584 0.193 0.000 1.156 1170 A CA 0.915 53.022 52.037 0.117 0.000 0.701 1170 A CB -0.900 18.205 19.000 0.174 0.000 0.816 1170 A HN 0.477 nan 8.150 nan 0.000 0.458 1171 G N -1.656 107.292 108.800 0.246 0.000 2.421 1171 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 1171 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 1171 G C 1.436 176.222 174.900 -0.190 0.000 1.143 1171 G CA 1.184 46.286 45.100 0.003 0.000 0.784 1171 G HN 0.542 nan 8.290 nan 0.000 0.541 1172 Y N 1.832 122.046 120.300 -0.143 0.000 2.395 1172 Y HA 0.332 4.882 4.550 0.000 0.000 0.293 1172 Y C 2.647 178.502 175.900 -0.076 0.000 1.123 1172 Y CA 0.447 58.483 58.100 -0.106 0.000 1.227 1172 Y CB -0.183 38.310 38.460 0.055 0.000 1.012 1172 Y HN 0.207 nan 8.280 nan 0.000 0.552 1173 A N -0.265 122.466 122.820 -0.148 0.000 2.014 1173 A HA -0.014 4.306 4.320 0.000 0.000 0.218 1173 A C 2.079 179.546 177.584 -0.195 0.000 1.163 1173 A CA 1.395 53.309 52.037 -0.206 0.000 0.652 1173 A CB -0.721 18.238 19.000 -0.068 0.000 0.808 1173 A HN 0.506 nan 8.150 nan 0.000 0.449 1174 L N -1.536 119.577 121.223 -0.184 0.000 2.298 1174 L HA 0.086 4.426 4.340 0.000 0.000 0.209 1174 L C 2.823 179.558 176.870 -0.226 0.000 1.084 1174 L CA 0.686 55.409 54.840 -0.196 0.000 0.816 1174 L CB -0.241 41.673 42.059 -0.242 0.000 0.967 1174 L HN 0.358 nan 8.230 nan 0.000 0.460 1175 A N -0.441 122.222 122.820 -0.262 0.000 2.067 1175 A HA -0.191 4.129 4.320 0.000 0.000 0.219 1175 A C 2.125 179.590 177.584 -0.199 0.000 1.158 1175 A CA 1.109 53.005 52.037 -0.236 0.000 0.661 1175 A CB -0.291 18.565 19.000 -0.240 0.000 0.801 1175 A HN 0.439 nan 8.150 nan 0.000 0.452 1176 Q N -1.097 118.547 119.800 -0.260 0.000 2.297 1176 Q HA 0.026 4.366 4.340 0.000 0.000 0.204 1176 Q C 1.534 177.445 176.000 -0.149 0.000 0.962 1176 Q CA 1.190 56.853 55.803 -0.233 0.000 0.879 1176 Q CB -0.127 28.406 28.738 -0.342 0.000 0.947 1176 Q HN 0.771 nan 8.270 nan 0.000 0.462 1177 M N -1.892 117.625 119.600 -0.140 0.000 2.371 1177 M HA 0.231 4.711 4.480 0.000 0.000 0.246 1177 M C 0.902 177.148 176.300 -0.090 0.000 1.103 1177 M CA 0.494 55.735 55.300 -0.099 0.000 1.010 1177 M CB 1.028 33.576 32.600 -0.088 0.000 1.457 1177 M HN 0.238 nan 8.290 nan 0.000 0.486 1178 G N 1.979 110.714 108.800 -0.107 0.000 2.148 1178 G HA2 -0.275 3.686 3.960 0.000 0.000 0.254 1178 G HA3 -0.275 3.686 3.960 0.000 0.000 0.254 1178 G C 0.369 175.204 174.900 -0.109 0.000 0.981 1178 G CA -0.020 45.021 45.100 -0.098 0.000 0.670 1178 G HN 0.528 nan 8.290 nan 0.000 0.528 1179 R N -0.729 119.694 120.500 -0.130 0.000 3.179 1179 R HA 0.444 4.784 4.340 0.000 0.000 0.317 1179 R C 0.041 176.223 176.300 -0.197 0.000 1.331 1179 R CA -0.300 55.718 56.100 -0.136 0.000 1.184 1179 R CB 0.266 30.497 30.300 -0.115 0.000 1.408 1179 R HN 0.222 nan 8.270 nan 0.000 0.598 1180 L N 1.139 122.235 121.223 -0.212 0.000 2.556 1180 L HA 0.320 4.660 4.340 0.000 0.000 0.243 1180 L C -0.827 175.924 176.870 -0.198 0.000 1.331 1180 L CA -0.108 54.565 54.840 -0.279 0.000 0.927 1180 L CB 0.159 42.002 42.059 -0.360 0.000 1.219 1180 L HN -0.001 nan 8.230 nan 0.000 0.490 1181 K N 0.203 120.511 120.400 -0.153 0.000 2.279 1181 K HA 0.906 5.226 4.320 0.000 0.000 0.238 1181 K C 0.521 177.076 176.600 -0.075 0.000 1.084 1181 K CA -0.713 55.516 56.287 -0.097 0.000 0.885 1181 K CB 0.926 33.381 32.500 -0.075 0.000 1.319 1181 K HN 0.293 nan 8.250 nan 0.000 0.494 1182 G N 1.086 109.859 108.800 -0.045 0.000 2.582 1182 G HA2 -0.264 3.696 3.960 0.000 0.000 0.288 1182 G HA3 -0.264 3.696 3.960 0.000 0.000 0.288 1182 G C -1.537 173.357 174.900 -0.011 0.000 1.247 1182 G CA 0.212 45.296 45.100 -0.026 0.000 0.972 1182 G HN 0.509 nan 8.290 nan 0.000 0.557 1183 P HA -0.012 nan 4.420 nan 0.000 0.220 1183 P C 2.207 179.540 177.300 0.056 0.000 1.148 1183 P CA 1.514 64.629 63.100 0.026 0.000 0.803 1183 P CB -0.030 31.685 31.700 0.025 0.000 0.782 1184 L N -0.870 120.367 121.223 0.024 0.000 2.027 1184 L HA -0.128 4.213 4.340 0.000 0.000 0.206 1184 L C 2.654 179.547 176.870 0.038 0.000 1.074 1184 L CA 1.381 56.232 54.840 0.019 0.000 0.745 1184 L CB -1.837 40.087 42.059 -0.224 0.000 0.898 1184 L HN -0.063 nan 8.230 nan 0.000 0.433 1185 L N -0.167 121.044 121.223 -0.020 0.000 2.046 1185 L HA -0.220 4.120 4.340 0.000 0.000 0.208 1185 L C 2.288 179.225 176.870 0.112 0.000 1.077 1185 L CA 1.717 56.570 54.840 0.023 0.000 0.747 1185 L CB -0.873 41.168 42.059 -0.031 0.000 0.896 1185 L HN 0.353 nan 8.230 nan 0.000 0.432 1186 N N -0.012 118.731 118.700 0.073 0.000 2.166 1186 N HA -0.267 4.473 4.740 0.000 0.000 0.186 1186 N C 1.937 177.504 175.510 0.094 0.000 1.019 1186 N CA 1.777 54.864 53.050 0.062 0.000 0.856 1186 N CB -0.185 38.324 38.487 0.038 0.000 0.993 1186 N HN 0.477 nan 8.380 nan 0.000 0.426 1187 K N -1.042 119.453 120.400 0.158 0.000 2.057 1187 K HA -0.133 4.187 4.320 0.000 0.000 0.206 1187 K C 1.995 178.744 176.600 0.248 0.000 1.050 1187 K CA 0.989 57.386 56.287 0.183 0.000 0.935 1187 K CB -0.394 32.251 32.500 0.242 0.000 0.715 1187 K HN 0.208 nan 8.250 nan 0.000 0.439 1188 F N 1.554 121.649 119.950 0.243 0.000 2.134 1188 F HA -0.148 4.380 4.527 0.000 0.000 0.299 1188 F C 1.517 177.498 175.800 0.301 0.000 1.097 1188 F CA 1.404 59.595 58.000 0.319 0.000 1.264 1188 F CB -0.024 39.127 39.000 0.252 0.000 1.001 1188 F HN -0.028 nan 8.300 nan 0.000 0.479 1189 L N -0.415 120.858 121.223 0.083 0.000 2.131 1189 L HA -0.090 4.250 4.340 0.000 0.000 0.206 1189 L C 2.270 179.020 176.870 -0.201 0.000 1.087 1189 L CA 1.475 56.207 54.840 -0.180 0.000 0.767 1189 L CB -1.038 40.866 42.059 -0.258 0.000 0.917 1189 L HN 0.245 nan 8.230 nan 0.000 0.441 1190 T N -5.495 108.991 114.554 -0.113 0.000 3.169 1190 T HA -0.006 4.345 4.350 0.000 0.000 0.250 1190 T C 1.402 175.979 174.700 -0.205 0.000 1.111 1190 T CA 0.463 62.490 62.100 -0.122 0.000 1.010 1190 T CB -0.213 68.622 68.868 -0.056 0.000 0.984 1190 T HN 0.082 nan 8.240 nan 0.000 0.537 1191 T N 1.886 116.264 114.554 -0.294 0.000 3.088 1191 T HA 0.422 4.772 4.350 0.000 0.000 0.259 1191 T C 1.032 175.255 174.700 -0.795 0.000 1.122 1191 T CA 0.316 62.183 62.100 -0.389 0.000 1.095 1191 T CB -0.211 68.534 68.868 -0.204 0.000 0.930 1191 T HN 0.665 nan 8.240 nan 0.000 0.508 1192 A N 1.923 124.106 122.820 -1.063 0.000 2.409 1192 A HA 0.402 4.722 4.320 0.000 0.000 0.267 1192 A C 0.239 177.446 177.584 -0.628 0.000 1.127 1192 A CA -0.374 50.889 52.037 -1.290 0.000 0.795 1192 A CB 0.141 18.292 19.000 -1.415 0.000 1.061 1192 A HN 0.259 nan 8.150 nan 0.000 0.502 1193 K N 2.344 122.427 120.400 -0.528 0.000 2.316 1193 K HA 0.245 4.566 4.320 0.000 0.000 0.289 1193 K C -0.702 175.729 176.600 -0.280 0.000 1.070 1193 K CA -0.025 56.071 56.287 -0.319 0.000 0.928 1193 K CB 0.147 32.501 32.500 -0.242 0.000 1.039 1193 K HN 0.741 nan 8.250 nan 0.000 0.480 1194 D N 3.300 123.576 120.400 -0.206 0.000 3.077 1194 D HA -0.176 4.464 4.640 0.000 0.000 0.212 1194 D C -0.828 175.347 176.300 -0.209 0.000 1.125 1194 D CA 1.106 55.007 54.000 -0.165 0.000 0.970 1194 D CB -0.854 39.870 40.800 -0.125 0.000 1.110 1194 D HN 0.869 nan 8.370 nan 0.000 0.419 1195 K N -1.279 118.965 120.400 -0.261 0.000 3.096 1195 K HA -0.290 4.031 4.320 0.000 0.000 0.266 1195 K C 0.563 176.932 176.600 -0.384 0.000 1.043 1195 K CA 1.318 57.417 56.287 -0.313 0.000 0.758 1195 K CB -2.220 30.065 32.500 -0.359 0.000 1.260 1195 K HN 0.813 nan 8.250 nan 0.000 0.481 1196 N N -0.879 117.623 118.700 -0.330 0.000 1.900 1196 N HA -0.019 4.721 4.740 0.000 0.000 0.227 1196 N C -0.346 174.900 175.510 -0.440 0.000 1.411 1196 N CA -0.707 52.195 53.050 -0.246 0.000 0.780 1196 N CB 0.686 39.080 38.487 -0.154 0.000 1.082 1196 N HN 0.287 nan 8.380 nan 0.000 0.505 1197 R N -0.369 119.778 120.500 -0.588 0.000 2.604 1197 R HA 0.245 4.585 4.340 0.000 0.000 0.270 1197 R C -1.919 174.117 176.300 -0.441 0.000 1.052 1197 R CA -0.793 54.843 56.100 -0.774 0.000 0.902 1197 R CB 0.868 30.241 30.300 -1.545 0.000 1.233 1197 R HN 0.042 nan 8.270 nan 0.000 0.455 1198 W N 3.669 124.721 121.300 -0.414 0.000 2.309 1198 W HA 0.222 4.883 4.660 0.000 0.000 0.332 1198 W C -0.430 176.012 176.519 -0.130 0.000 0.962 1198 W CA -0.295 56.920 57.345 -0.215 0.000 1.497 1198 W CB 1.391 30.768 29.460 -0.139 0.000 1.308 1198 W HN 0.714 nan 8.180 nan 0.000 0.384 1199 E N 1.255 121.448 120.200 -0.012 0.000 2.227 1199 E HA 0.482 4.833 4.350 0.000 0.000 0.268 1199 E C -0.932 175.699 176.600 0.053 0.000 0.907 1199 E CA -0.802 55.623 56.400 0.041 0.000 0.786 1199 E CB 2.372 32.077 29.700 0.007 0.000 1.191 1199 E HN -0.007 nan 8.360 nan 0.000 0.411 1200 D N 2.179 122.633 120.400 0.090 0.000 2.619 1200 D HA 0.218 4.859 4.640 0.000 0.000 0.241 1200 D C -2.284 174.053 176.300 0.063 0.000 1.087 1200 D CA -1.795 52.248 54.000 0.073 0.000 0.851 1200 D CB 1.983 42.841 40.800 0.098 0.000 1.474 1200 D HN 0.332 nan 8.370 nan 0.000 0.478 1201 P HA 0.125 nan 4.420 nan 0.000 0.248 1201 P C -0.043 177.281 177.300 0.041 0.000 1.550 1201 P CA 0.276 63.396 63.100 0.033 0.000 1.252 1201 P CB 0.079 31.791 31.700 0.019 0.000 1.869 1202 G N 1.776 110.606 108.800 0.050 0.000 2.726 1202 G HA2 0.255 4.215 3.960 0.000 0.000 0.198 1202 G HA3 0.255 4.215 3.960 0.000 0.000 0.198 1202 G C -1.115 173.785 174.900 0.000 0.000 1.195 1202 G CA -0.740 44.391 45.100 0.052 0.000 0.951 1202 G HN 0.146 nan 8.290 nan 0.000 0.532 1203 K N 0.667 121.023 120.400 -0.073 0.000 2.295 1203 K HA 0.194 4.515 4.320 0.000 0.000 0.270 1203 K C 1.005 177.483 176.600 -0.202 0.000 1.011 1203 K CA -0.114 56.019 56.287 -0.257 0.000 0.953 1203 K CB 1.366 33.470 32.500 -0.660 0.000 0.956 1203 K HN 0.469 nan 8.250 nan 0.000 0.477 1204 Q N 1.011 120.712 119.800 -0.165 0.000 2.245 1204 Q HA -0.048 4.292 4.340 0.000 0.000 0.201 1204 Q C 1.617 177.551 176.000 -0.111 0.000 0.955 1204 Q CA 0.937 56.693 55.803 -0.079 0.000 0.870 1204 Q CB 0.014 28.711 28.738 -0.069 0.000 0.945 1204 Q HN 0.552 nan 8.270 nan 0.000 0.461 1205 L N -0.488 120.590 121.223 -0.242 0.000 2.395 1205 L HA -0.088 4.253 4.340 0.000 0.000 0.218 1205 L C 1.405 178.257 176.870 -0.030 0.000 1.130 1205 L CA 0.503 55.202 54.840 -0.235 0.000 0.826 1205 L CB -0.211 41.689 42.059 -0.266 0.000 0.941 1205 L HN 0.229 nan 8.230 nan 0.000 0.451 1206 Y N -0.352 119.917 120.300 -0.052 0.000 2.475 1206 Y HA -0.013 4.537 4.550 0.000 0.000 0.289 1206 Y C 2.296 178.236 175.900 0.067 0.000 1.121 1206 Y CA 0.030 58.090 58.100 -0.066 0.000 1.257 1206 Y CB -0.609 37.745 38.460 -0.177 0.000 1.026 1206 Y HN 0.224 nan 8.280 nan 0.000 0.555 1207 N N -0.522 118.312 118.700 0.223 0.000 2.333 1207 N HA -0.064 4.676 4.740 0.000 0.000 0.178 1207 N C 1.966 177.659 175.510 0.305 0.000 1.018 1207 N CA 0.767 53.970 53.050 0.256 0.000 0.882 1207 N CB -0.387 38.244 38.487 0.240 0.000 0.984 1207 N HN 0.124 nan 8.380 nan 0.000 0.434 1208 V N 1.435 121.482 119.914 0.221 0.000 2.515 1208 V HA -0.155 3.966 4.120 0.000 0.000 0.250 1208 V C 2.324 178.509 176.094 0.152 0.000 1.058 1208 V CA 1.450 63.849 62.300 0.166 0.000 1.064 1208 V CB -0.387 31.332 31.823 -0.174 0.000 0.675 1208 V HN 0.365 nan 8.190 nan 0.000 0.461 1209 E N 0.488 120.808 120.200 0.200 0.000 2.047 1209 E HA -0.181 4.169 4.350 0.000 0.000 0.191 1209 E C 2.220 179.079 176.600 0.431 0.000 0.987 1209 E CA 1.274 57.861 56.400 0.311 0.000 0.799 1209 E CB -0.200 29.764 29.700 0.439 0.000 0.752 1209 E HN 0.547 nan 8.360 nan 0.000 0.449 1210 A N 0.103 123.198 122.820 0.459 0.000 1.968 1210 A HA -0.092 4.228 4.320 0.000 0.000 0.217 1210 A C 2.271 179.953 177.584 0.165 0.000 1.169 1210 A CA 1.653 53.924 52.037 0.390 0.000 0.638 1210 A CB -0.574 18.702 19.000 0.460 0.000 0.812 1210 A HN 0.305 nan 8.150 nan 0.000 0.446 1211 T N -0.116 114.532 114.554 0.157 0.000 2.951 1211 T HA -0.041 4.309 4.350 0.000 0.000 0.268 1211 T C 2.098 176.785 174.700 -0.022 0.000 1.073 1211 T CA 1.454 63.582 62.100 0.047 0.000 1.134 1211 T CB -0.117 68.811 68.868 0.101 0.000 0.884 1211 T HN 0.474 nan 8.240 nan 0.000 0.479 1212 S N 0.455 116.166 115.700 0.019 0.000 2.395 1212 S HA 0.022 4.492 4.470 0.000 0.000 0.225 1212 S C 1.591 176.055 174.600 -0.225 0.000 1.027 1212 S CA 0.581 58.721 58.200 -0.099 0.000 0.965 1212 S CB -0.340 62.789 63.200 -0.118 0.000 0.812 1212 S HN 0.524 nan 8.310 nan 0.000 0.482 1213 Y N 1.778 121.999 120.300 -0.132 0.000 2.314 1213 Y HA 0.075 4.625 4.550 0.000 0.000 0.293 1213 Y C 2.548 178.287 175.900 -0.269 0.000 1.129 1213 Y CA 0.522 58.486 58.100 -0.225 0.000 1.201 1213 Y CB -0.539 37.867 38.460 -0.090 0.000 0.999 1213 Y HN 0.270 nan 8.280 nan 0.000 0.541 1214 A N -0.266 122.442 122.820 -0.185 0.000 1.873 1214 A HA -0.156 4.165 4.320 0.000 0.000 0.215 1214 A C 2.099 179.549 177.584 -0.223 0.000 1.186 1214 A CA 1.456 53.254 52.037 -0.398 0.000 0.616 1214 A CB -1.020 17.116 19.000 -1.441 0.000 0.823 1214 A HN 0.399 nan 8.150 nan 0.000 0.442 1215 L N -0.233 120.867 121.223 -0.205 0.000 2.131 1215 L HA -0.077 4.264 4.340 0.000 0.000 0.210 1215 L C 2.115 178.930 176.870 -0.092 0.000 1.092 1215 L CA 1.479 56.262 54.840 -0.095 0.000 0.759 1215 L CB -0.436 41.580 42.059 -0.072 0.000 0.903 1215 L HN 0.397 nan 8.230 nan 0.000 0.435 1216 L N -0.994 120.093 121.223 -0.227 0.000 2.109 1216 L HA -0.104 4.236 4.340 0.000 0.000 0.207 1216 L C 2.590 179.394 176.870 -0.110 0.000 1.086 1216 L CA 1.011 55.645 54.840 -0.343 0.000 0.760 1216 L CB -0.743 40.705 42.059 -1.018 0.000 0.910 1216 L HN 0.368 nan 8.230 nan 0.000 0.437 1217 A N 0.026 122.828 122.820 -0.029 0.000 1.929 1217 A HA -0.109 4.211 4.320 0.000 0.000 0.216 1217 A C 2.203 179.770 177.584 -0.028 0.000 1.176 1217 A CA 1.029 53.106 52.037 0.067 0.000 0.628 1217 A CB -0.519 18.380 19.000 -0.168 0.000 0.816 1217 A HN 0.340 nan 8.150 nan 0.000 0.444 1218 L N -0.592 120.644 121.223 0.021 0.000 2.083 1218 L HA -0.167 4.173 4.340 0.000 0.000 0.209 1218 L C 2.405 179.222 176.870 -0.087 0.000 1.083 1218 L CA 1.009 55.861 54.840 0.019 0.000 0.752 1218 L CB -0.531 41.590 42.059 0.104 0.000 0.899 1218 L HN 0.363 nan 8.230 nan 0.000 0.433 1219 L N -0.964 120.237 121.223 -0.036 0.000 2.217 1219 L HA -0.161 4.179 4.340 0.000 0.000 0.211 1219 L C 2.572 179.420 176.870 -0.036 0.000 1.107 1219 L CA 0.589 55.407 54.840 -0.038 0.000 0.783 1219 L CB -0.338 41.779 42.059 0.097 0.000 0.919 1219 L HN 0.255 nan 8.230 nan 0.000 0.442 1220 Q N 0.558 120.364 119.800 0.011 0.000 2.083 1220 Q HA -0.080 4.260 4.340 0.000 0.000 0.198 1220 Q C 2.068 178.037 176.000 -0.053 0.000 0.969 1220 Q CA 1.464 57.278 55.803 0.018 0.000 0.838 1220 Q CB -0.039 28.736 28.738 0.063 0.000 0.900 1220 Q HN 0.452 nan 8.270 nan 0.000 0.436 1221 L N -0.141 121.022 121.223 -0.100 0.000 2.492 1221 L HA 0.096 4.436 4.340 0.000 0.000 0.223 1221 L C 0.075 176.852 176.870 -0.155 0.000 1.132 1221 L CA 0.317 55.086 54.840 -0.118 0.000 0.850 1221 L CB -0.011 41.969 42.059 -0.131 0.000 0.966 1221 L HN 0.173 nan 8.230 nan 0.000 0.454 1222 K N 0.146 120.376 120.400 -0.283 0.000 3.200 1222 K HA -0.192 4.129 4.320 0.000 0.000 0.272 1222 K C -0.245 175.999 176.600 -0.594 0.000 1.150 1222 K CA 0.504 56.447 56.287 -0.573 0.000 0.801 1222 K CB -1.454 30.953 32.500 -0.155 0.000 1.269 1222 K HN 0.130 nan 8.250 nan 0.000 0.500 1223 D N 0.424 120.554 120.400 -0.450 0.000 2.564 1223 D HA 0.171 4.812 4.640 0.000 0.000 0.226 1223 D C 0.217 176.444 176.300 -0.121 0.000 1.149 1223 D CA -0.541 53.352 54.000 -0.178 0.000 0.994 1223 D CB -0.076 40.701 40.800 -0.037 0.000 1.029 1223 D HN 0.129 nan 8.370 nan 0.000 0.517 1224 F N 0.560 120.594 119.950 0.139 0.000 2.802 1224 F HA 0.087 4.614 4.527 0.000 0.000 0.300 1224 F C 1.498 177.386 175.800 0.147 0.000 1.168 1224 F CA 0.039 58.126 58.000 0.145 0.000 1.433 1224 F CB 0.158 39.225 39.000 0.111 0.000 1.115 1224 F HN 0.183 nan 8.300 nan 0.000 0.582 1225 D N -1.078 119.490 120.400 0.280 0.000 2.271 1225 D HA -0.066 4.574 4.640 0.000 0.000 0.206 1225 D C 1.671 178.109 176.300 0.229 0.000 0.967 1225 D CA 0.808 54.945 54.000 0.228 0.000 0.867 1225 D CB -0.298 40.621 40.800 0.199 0.000 0.960 1225 D HN 0.257 nan 8.370 nan 0.000 0.509 1226 F N 0.316 120.332 119.950 0.109 0.000 2.746 1226 F HA 0.068 4.595 4.527 0.000 0.000 0.297 1226 F C 1.777 177.646 175.800 0.115 0.000 1.113 1226 F CA 0.139 58.202 58.000 0.105 0.000 1.367 1226 F CB 0.502 39.574 39.000 0.119 0.000 1.111 1226 F HN -0.247 nan 8.300 nan 0.000 0.590 1227 V N 1.386 121.450 119.914 0.249 0.000 2.302 1227 V HA -0.120 4.000 4.120 0.000 0.000 0.243 1227 V C -0.400 175.743 176.094 0.081 0.000 1.036 1227 V CA 1.557 63.971 62.300 0.190 0.000 1.020 1227 V CB -1.694 30.279 31.823 0.248 0.000 0.657 1227 V HN 0.108 nan 8.190 nan 0.000 0.453 1228 P HA -0.154 nan 4.420 nan 0.000 0.217 1228 P C -1.408 175.893 177.300 0.001 0.000 1.158 1228 P CA 2.155 65.285 63.100 0.050 0.000 0.887 1228 P CB -1.316 30.434 31.700 0.084 0.000 0.792 1229 P HA -0.085 nan 4.420 nan 0.000 0.218 1229 P C 1.540 178.845 177.300 0.010 0.000 1.149 1229 P CA 1.004 64.078 63.100 -0.044 0.000 0.817 1229 P CB -0.432 31.173 31.700 -0.158 0.000 0.785 1230 V N -0.671 119.253 119.914 0.017 0.000 2.453 1230 V HA -0.146 3.974 4.120 0.000 0.000 0.247 1230 V C 2.381 178.544 176.094 0.116 0.000 1.048 1230 V CA 1.544 63.904 62.300 0.100 0.000 1.049 1230 V CB -0.985 30.935 31.823 0.162 0.000 0.672 1230 V HN -0.027 nan 8.190 nan 0.000 0.457 1231 V N -0.144 119.764 119.914 -0.011 0.000 2.591 1231 V HA -0.132 3.988 4.120 0.000 0.000 0.249 1231 V C 2.493 178.575 176.094 -0.021 0.000 1.053 1231 V CA 1.785 64.019 62.300 -0.111 0.000 1.068 1231 V CB -0.722 30.831 31.823 -0.449 0.000 0.689 1231 V HN 0.461 nan 8.190 nan 0.000 0.462 1232 R N -1.010 119.504 120.500 0.023 0.000 2.096 1232 R HA -0.243 4.098 4.340 0.000 0.000 0.235 1232 R C 2.142 178.493 176.300 0.084 0.000 1.127 1232 R CA 2.088 58.215 56.100 0.046 0.000 0.968 1232 R CB -0.325 30.004 30.300 0.048 0.000 0.861 1232 R HN 0.642 nan 8.270 nan 0.000 0.440 1233 W N 0.925 122.198 121.300 -0.044 0.000 2.381 1233 W HA -0.131 4.529 4.660 0.001 0.000 0.301 1233 W C 1.480 177.973 176.519 -0.043 0.000 1.205 1233 W CA 1.235 58.560 57.345 -0.034 0.000 1.285 1233 W CB -0.158 29.293 29.460 -0.017 0.000 1.133 1233 W HN 0.036 nan 8.180 nan 0.000 0.521 1234 L N 0.746 122.054 121.223 0.141 0.000 2.093 1234 L HA -0.221 4.119 4.340 0.000 0.000 0.208 1234 L C 2.200 178.964 176.870 -0.176 0.000 1.085 1234 L CA 1.156 55.962 54.840 -0.056 0.000 0.755 1234 L CB -0.919 41.168 42.059 0.046 0.000 0.904 1234 L HN 0.008 nan 8.230 nan 0.000 0.435 1235 N N 0.038 118.679 118.700 -0.098 0.000 2.270 1235 N HA -0.154 4.587 4.740 0.000 0.000 0.181 1235 N C 1.550 176.989 175.510 -0.118 0.000 1.016 1235 N CA 1.035 54.040 53.050 -0.074 0.000 0.870 1235 N CB -0.047 38.438 38.487 -0.004 0.000 0.979 1235 N HN 0.438 nan 8.380 nan 0.000 0.431 1236 E N 0.362 120.460 120.200 -0.171 0.000 2.435 1236 E HA -0.015 4.336 4.350 0.000 0.000 0.195 1236 E C 1.311 177.733 176.600 -0.298 0.000 1.029 1236 E CA 0.188 56.472 56.400 -0.193 0.000 0.865 1236 E CB 0.203 29.801 29.700 -0.171 0.000 0.833 1236 E HN 0.289 nan 8.360 nan 0.000 0.510 1237 Q N 0.230 119.777 119.800 -0.423 0.000 2.230 1237 Q HA -0.010 4.330 4.340 0.000 0.000 0.202 1237 Q C 0.433 176.245 176.000 -0.313 0.000 0.963 1237 Q CA 0.399 55.932 55.803 -0.450 0.000 0.866 1237 Q CB 0.058 28.438 28.738 -0.596 0.000 0.931 1237 Q HN 0.171 nan 8.270 nan 0.000 0.452 1238 R N -0.395 119.914 120.500 -0.319 0.000 3.422 1238 R HA -0.228 4.112 4.340 0.000 0.000 0.267 1238 R C -0.841 174.943 176.300 -0.860 0.000 1.074 1238 R CA 0.202 56.014 56.100 -0.479 0.000 0.718 1238 R CB -2.136 28.024 30.300 -0.234 0.000 1.157 1238 R HN 0.170 nan 8.270 nan 0.000 0.440 1239 Y N 0.076 119.939 120.300 -0.729 0.000 2.316 1239 Y HA 0.197 4.747 4.550 0.001 0.000 0.331 1239 Y C 0.128 175.730 175.900 -0.496 0.000 1.083 1239 Y CA -0.400 57.367 58.100 -0.555 0.000 1.206 1239 Y CB 0.481 38.743 38.460 -0.331 0.000 1.195 1239 Y HN 0.108 nan 8.280 nan 0.000 0.497 1240 Y N 4.110 124.144 120.300 -0.443 0.000 2.716 1240 Y HA 0.425 4.975 4.550 0.001 0.000 0.260 1240 Y C 1.028 176.864 175.900 -0.107 0.000 1.141 1240 Y CA -0.526 57.532 58.100 -0.070 0.000 1.168 1240 Y CB 0.225 38.756 38.460 0.119 0.000 1.189 1240 Y HN 0.911 nan 8.280 nan 0.000 0.549 1241 G N 0.444 108.779 108.800 -0.775 0.000 2.806 1241 G HA2 0.211 4.171 3.960 0.000 0.000 0.236 1241 G HA3 0.211 4.171 3.960 0.000 0.000 0.236 1241 G C 0.243 175.179 174.900 0.061 0.000 1.387 1241 G CA 0.126 45.071 45.100 -0.258 0.000 0.884 1241 G HN 1.335 nan 8.290 nan 0.000 0.560 1242 G N -1.718 107.203 108.800 0.202 0.000 3.277 1242 G HA2 0.553 4.513 3.960 0.000 0.000 0.684 1242 G HA3 0.553 4.513 3.960 0.000 0.000 0.684 1242 G C 1.295 176.316 174.900 0.202 0.000 0.923 1242 G CA 0.697 45.947 45.100 0.250 0.000 0.779 1242 G HN 3.128 nan 8.290 nan 0.000 0.508 1243 G N 0.745 109.661 108.800 0.193 0.000 2.352 1243 G HA2 0.540 4.500 3.960 0.000 0.000 0.283 1243 G HA3 0.540 4.500 3.960 0.000 0.000 0.283 1243 G C -0.791 174.235 174.900 0.210 0.000 1.308 1243 G CA 0.029 45.243 45.100 0.191 0.000 0.892 1243 G HN 1.987 nan 8.290 nan 0.000 0.504 1244 Y N 1.926 122.276 120.300 0.083 0.000 2.531 1244 Y HA 0.425 4.975 4.550 0.000 0.000 0.347 1244 Y C 1.278 177.221 175.900 0.070 0.000 1.024 1244 Y CA 0.840 58.980 58.100 0.067 0.000 1.306 1244 Y CB 0.472 38.960 38.460 0.047 0.000 1.149 1244 Y HN 2.174 nan 8.280 nan 0.000 0.527 1245 G N 3.740 112.347 108.800 -0.322 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 0.584 175.449 174.900 -0.059 0.000 1.025 1245 G CA 0.638 45.556 45.100 -0.302 0.000 0.769 1245 G HN 1.230 nan 8.290 nan 0.000 0.507 1246 S N -1.125 114.610 115.700 0.058 0.000 2.685 1246 S HA 0.324 4.794 4.470 0.000 0.000 0.240 1246 S C 1.672 176.400 174.600 0.214 0.000 0.967 1246 S CA 0.917 59.225 58.200 0.181 0.000 1.009 1246 S CB 0.309 63.676 63.200 0.279 0.000 0.776 1246 S HN 0.354 nan 8.310 nan 0.000 0.467 1247 T N 2.332 116.976 114.554 0.149 0.000 2.698 1247 T HA -0.068 4.282 4.350 0.000 0.000 0.260 1247 T C 1.975 176.849 174.700 0.290 0.000 1.044 1247 T CA 1.209 63.426 62.100 0.196 0.000 1.149 1247 T CB -0.201 68.722 68.868 0.090 0.000 0.864 1247 T HN 0.342 nan 8.240 nan 0.000 0.419 1248 Q N 0.942 120.882 119.800 0.233 0.000 2.016 1248 Q HA 0.124 4.464 4.340 0.000 0.000 0.200 1248 Q C 2.755 178.965 176.000 0.350 0.000 0.978 1248 Q CA 1.570 57.574 55.803 0.334 0.000 0.833 1248 Q CB -1.063 27.866 28.738 0.319 0.000 0.895 1248 Q HN 0.528 nan 8.270 nan 0.000 0.427 1249 A N 0.465 123.444 122.820 0.266 0.000 1.917 1249 A HA -0.198 4.122 4.320 0.000 0.000 0.219 1249 A C 2.319 180.083 177.584 0.302 0.000 1.182 1249 A CA 2.280 54.431 52.037 0.190 0.000 0.633 1249 A CB -0.859 18.161 19.000 0.033 0.000 0.819 1249 A HN 0.425 nan 8.150 nan 0.000 0.448 1250 T N -1.729 113.081 114.554 0.427 0.000 2.942 1250 T HA 0.007 4.358 4.350 0.000 0.000 0.265 1250 T C 1.538 176.520 174.700 0.470 0.000 1.062 1250 T CA 1.189 63.587 62.100 0.498 0.000 1.139 1250 T CB -0.267 68.856 68.868 0.425 0.000 0.883 1250 T HN 0.467 nan 8.240 nan 0.000 0.468 1251 F N 1.044 121.173 119.950 0.298 0.000 2.293 1251 F HA 0.091 4.618 4.527 0.000 0.000 0.297 1251 F C 1.968 177.877 175.800 0.181 0.000 1.089 1251 F CA 0.810 58.968 58.000 0.264 0.000 1.377 1251 F CB -0.073 39.121 39.000 0.323 0.000 1.051 1251 F HN -0.009 nan 8.300 nan 0.000 0.511 1252 M N -1.023 118.746 119.600 0.282 0.000 2.325 1252 M HA 0.017 4.497 4.480 0.000 0.000 0.265 1252 M C 2.355 178.602 176.300 -0.088 0.000 1.094 1252 M CA 0.766 56.082 55.300 0.026 0.000 1.161 1252 M CB -1.292 31.260 32.600 -0.081 0.000 1.358 1252 M HN 0.056 nan 8.290 nan 0.000 0.446 1253 V N 0.039 119.904 119.914 -0.081 0.000 2.867 1253 V HA -0.209 3.911 4.120 0.000 0.000 0.260 1253 V C 1.563 177.399 176.094 -0.430 0.000 1.099 1253 V CA 1.575 63.720 62.300 -0.257 0.000 1.122 1253 V CB -0.416 31.220 31.823 -0.312 0.000 0.708 1253 V HN 0.261 nan 8.190 nan 0.000 0.490 1254 F N -1.043 118.860 119.950 -0.078 0.000 2.717 1254 F HA 0.200 4.727 4.527 0.001 0.000 0.297 1254 F C 2.168 177.942 175.800 -0.043 0.000 1.113 1254 F CA 0.642 58.548 58.000 -0.156 0.000 1.319 1254 F CB -0.149 38.710 39.000 -0.235 0.000 1.097 1254 F HN 0.113 nan 8.300 nan 0.000 0.595 1255 Q N 0.538 120.355 119.800 0.028 0.000 2.172 1255 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 1255 Q C 2.194 178.220 176.000 0.045 0.000 0.964 1255 Q CA 1.363 57.163 55.803 -0.006 0.000 0.855 1255 Q CB 0.038 28.664 28.738 -0.186 0.000 0.918 1255 Q HN 0.359 nan 8.270 nan 0.000 0.444 1256 A N 0.341 123.150 122.820 -0.018 0.000 1.930 1256 A HA -0.008 4.312 4.320 0.000 0.000 0.215 1256 A C 1.817 179.465 177.584 0.106 0.000 1.176 1256 A CA 0.537 52.564 52.037 -0.017 0.000 0.632 1256 A CB -0.286 18.652 19.000 -0.103 0.000 0.819 1256 A HN 0.397 nan 8.150 nan 0.000 0.445 1257 L N -0.830 120.477 121.223 0.141 0.000 2.599 1257 L HA 0.060 4.400 4.340 0.000 0.000 0.230 1257 L C 2.488 179.658 176.870 0.500 0.000 1.141 1257 L CA 0.510 55.533 54.840 0.305 0.000 0.877 1257 L CB -0.004 42.182 42.059 0.211 0.000 1.009 1257 L HN 0.443 nan 8.230 nan 0.000 0.447 1258 A N -1.007 122.047 122.820 0.390 0.000 2.014 1258 A HA -0.076 4.245 4.320 0.000 0.000 0.210 1258 A C 2.093 179.754 177.584 0.128 0.000 1.188 1258 A CA 0.311 52.477 52.037 0.215 0.000 0.731 1258 A CB -0.017 19.050 19.000 0.111 0.000 0.858 1258 A HN 0.274 nan 8.150 nan 0.000 0.464 1259 Q N -1.607 118.306 119.800 0.187 0.000 2.378 1259 Q HA -0.053 4.287 4.340 0.000 0.000 0.205 1259 Q C 1.469 177.589 176.000 0.200 0.000 0.954 1259 Q CA 1.050 56.952 55.803 0.166 0.000 0.901 1259 Q CB -0.527 28.301 28.738 0.149 0.000 0.981 1259 Q HN 0.725 nan 8.270 nan 0.000 0.483 1260 Y N 0.100 120.461 120.300 0.102 0.000 2.314 1260 Y HA -0.090 4.460 4.550 0.000 0.000 0.293 1260 Y C 1.446 177.399 175.900 0.090 0.000 1.129 1260 Y CA 1.435 59.603 58.100 0.114 0.000 1.201 1260 Y CB 0.278 38.808 38.460 0.118 0.000 0.999 1260 Y HN 0.128 nan 8.280 nan 0.000 0.541 1261 Q N -0.040 119.705 119.800 -0.093 0.000 2.424 1261 Q HA -0.014 4.326 4.340 0.000 0.000 0.204 1261 Q C 1.702 177.623 176.000 -0.132 0.000 0.933 1261 Q CA 0.632 56.304 55.803 -0.219 0.000 0.929 1261 Q CB 0.231 28.871 28.738 -0.164 0.000 1.037 1261 Q HN 0.508 nan 8.270 nan 0.000 0.511 1262 K N 0.376 120.750 120.400 -0.043 0.000 2.276 1262 K HA -0.019 4.301 4.320 0.000 0.000 0.198 1262 K C 0.546 177.161 176.600 0.025 0.000 1.052 1262 K CA 0.453 56.737 56.287 -0.005 0.000 0.984 1262 K CB 0.511 33.033 32.500 0.036 0.000 0.836 1262 K HN -0.014 nan 8.250 nan 0.000 0.490 1263 D N 1.225 121.670 120.400 0.074 0.000 2.363 1263 D HA 0.047 4.687 4.640 0.000 0.000 0.226 1263 D C 0.014 176.345 176.300 0.052 0.000 1.020 1263 D CA 0.089 54.185 54.000 0.159 0.000 0.892 1263 D CB 0.108 41.103 40.800 0.326 0.000 0.900 1263 D HN 0.170 nan 8.370 nan 0.000 0.531 1264 A N 1.317 124.088 122.820 -0.081 0.000 2.448 1264 A HA 0.322 4.642 4.320 0.000 0.000 0.239 1264 A C -1.502 176.013 177.584 -0.114 0.000 1.080 1264 A CA -0.812 51.118 52.037 -0.178 0.000 0.779 1264 A CB -0.429 18.461 19.000 -0.183 0.000 1.026 1264 A HN 0.041 nan 8.150 nan 0.000 0.499 1265 P HA -0.229 nan 4.420 nan 0.000 0.299 1265 P C 0.104 177.317 177.300 -0.145 0.000 1.969 1265 P CA 1.797 64.814 63.100 -0.137 0.000 1.764 1265 P CB 0.164 31.725 31.700 -0.231 0.000 0.240 1266 D N -5.580 114.729 120.400 -0.150 0.000 2.481 1266 D HA -0.015 4.625 4.640 0.000 0.000 0.568 1266 D C 0.655 176.697 176.300 -0.430 0.000 0.968 1266 D CA 0.085 53.934 54.000 -0.250 0.000 1.126 1266 D CB -0.285 40.385 40.800 -0.217 0.000 1.576 1266 D HN 0.408 nan 8.370 nan 0.000 0.365 1267 H N -0.293 118.644 119.070 -0.223 0.000 4.112 1267 H HA 0.259 4.815 4.556 0.000 0.000 0.171 1267 H C 0.997 176.183 175.328 -0.236 0.000 1.324 1267 H CA 0.417 56.283 56.048 -0.304 0.000 1.445 1267 H CB -0.109 29.359 29.762 -0.490 0.000 1.557 1267 H HN 0.154 nan 8.280 nan 0.000 0.421 1268 Q N 2.005 121.763 119.800 -0.070 0.000 2.386 1268 Q HA 0.121 4.461 4.340 0.000 0.000 0.172 1268 Q C -0.057 175.870 176.000 -0.121 0.000 1.009 1268 Q CA -0.593 55.177 55.803 -0.055 0.000 1.039 1268 Q CB 0.037 28.741 28.738 -0.057 0.000 1.544 1268 Q HN 0.495 nan 8.270 nan 0.000 0.515 1269 E N 0.619 120.755 120.200 -0.107 0.000 2.338 1269 E HA 0.291 4.642 4.350 0.000 0.000 0.272 1269 E C -0.492 176.053 176.600 -0.092 0.000 1.029 1269 E CA -0.304 56.021 56.400 -0.124 0.000 0.872 1269 E CB 0.590 30.267 29.700 -0.038 0.000 1.015 1269 E HN 0.419 nan 8.360 nan 0.000 0.417 1270 L N 3.439 124.627 121.223 -0.058 0.000 2.302 1270 L HA 0.176 4.516 4.340 0.000 0.000 0.285 1270 L C 0.256 177.106 176.870 -0.034 0.000 1.090 1270 L CA -0.330 54.509 54.840 -0.002 0.000 0.866 1270 L CB -0.005 42.117 42.059 0.104 0.000 1.244 1270 L HN 0.496 nan 8.230 nan 0.000 0.435 1271 N N 4.329 122.977 118.700 -0.086 0.000 2.818 1271 N HA 0.314 5.054 4.740 0.000 0.000 0.301 1271 N C -0.807 174.603 175.510 -0.167 0.000 1.821 1271 N CA -0.215 52.721 53.050 -0.189 0.000 0.930 1271 N CB 0.417 38.844 38.487 -0.100 0.000 1.263 1271 N HN 0.420 nan 8.380 nan 0.000 0.487 1272 L N -0.133 120.998 121.223 -0.153 0.000 2.375 1272 L HA 0.387 4.727 4.340 0.000 0.000 0.271 1272 L C 0.346 177.172 176.870 -0.073 0.000 1.107 1272 L CA -0.323 54.469 54.840 -0.079 0.000 0.806 1272 L CB 1.056 43.094 42.059 -0.033 0.000 1.146 1272 L HN 0.095 nan 8.230 nan 0.000 0.447 1273 D N 2.327 122.713 120.400 -0.023 0.000 2.408 1273 D HA 0.248 4.888 4.640 0.000 0.000 0.261 1273 D C -1.144 175.177 176.300 0.035 0.000 1.190 1273 D CA -0.243 53.762 54.000 0.009 0.000 0.910 1273 D CB 1.574 42.379 40.800 0.008 0.000 1.097 1273 D HN 0.040 nan 8.370 nan 0.000 0.522 1274 V N 2.827 122.781 119.914 0.066 0.000 2.432 1274 V HA 0.342 4.462 4.120 0.000 0.000 0.275 1274 V C 0.525 176.678 176.094 0.098 0.000 1.043 1274 V CA -0.496 61.856 62.300 0.086 0.000 0.925 1274 V CB 1.268 33.155 31.823 0.108 0.000 0.985 1274 V HN 0.585 nan 8.190 nan 0.000 0.466 1275 S N 6.275 122.023 115.700 0.079 0.000 2.478 1275 S HA 0.804 5.274 4.470 0.000 0.000 0.312 1275 S C -0.989 173.666 174.600 0.092 0.000 1.094 1275 S CA -0.774 57.466 58.200 0.067 0.000 1.081 1275 S CB 1.170 64.395 63.200 0.042 0.000 1.007 1275 S HN 0.478 nan 8.310 nan 0.000 0.475 1276 L N 3.030 124.307 121.223 0.090 0.000 2.319 1276 L HA 0.543 4.883 4.340 0.000 0.000 0.281 1276 L C -0.049 176.864 176.870 0.072 0.000 1.005 1276 L CA -0.436 54.469 54.840 0.109 0.000 0.828 1276 L CB 1.593 43.703 42.059 0.085 0.000 1.227 1276 L HN 0.752 nan 8.230 nan 0.000 0.415 1277 Q N 4.300 124.167 119.800 0.112 0.000 2.425 1277 Q HA 0.513 4.853 4.340 0.000 0.000 0.254 1277 Q C -1.605 174.467 176.000 0.119 0.000 1.032 1277 Q CA -0.778 55.074 55.803 0.083 0.000 0.798 1277 Q CB 1.157 29.938 28.738 0.071 0.000 1.210 1277 Q HN 0.548 nan 8.270 nan 0.000 0.491 1278 L N 6.848 128.100 121.223 0.049 0.000 2.282 1278 L HA 0.401 4.741 4.340 0.000 0.000 0.288 1278 L C -1.491 175.406 176.870 0.045 0.000 1.033 1278 L CA -1.681 53.190 54.840 0.052 0.000 0.807 1278 L CB 1.091 43.093 42.059 -0.095 0.000 1.209 1278 L HN 0.553 nan 8.230 nan 0.000 0.423 1279 P HA -0.141 nan 4.420 nan 0.000 0.229 1279 P C 1.271 178.585 177.300 0.025 0.000 1.150 1279 P CA 0.857 63.984 63.100 0.045 0.000 0.765 1279 P CB 0.522 32.254 31.700 0.052 0.000 0.783 1280 S N -0.928 114.781 115.700 0.016 0.000 2.356 1280 S HA -0.004 4.467 4.470 0.000 0.000 0.219 1280 S C 1.226 175.823 174.600 -0.005 0.000 1.036 1280 S CA 0.013 58.214 58.200 0.003 0.000 0.965 1280 S CB -0.257 62.939 63.200 -0.007 0.000 0.864 1280 S HN 0.020 nan 8.310 nan 0.000 0.471 1281 R N 0.634 121.126 120.500 -0.013 0.000 2.490 1281 R HA 0.300 4.640 4.340 0.000 0.000 0.278 1281 R C 0.616 176.911 176.300 -0.007 0.000 1.069 1281 R CA 0.215 56.306 56.100 -0.015 0.000 1.080 1281 R CB 0.753 31.036 30.300 -0.027 0.000 1.030 1281 R HN 0.223 nan 8.270 nan 0.000 0.491 1282 S N 0.336 116.032 115.700 -0.007 0.000 2.528 1282 S HA 0.057 4.527 4.470 0.000 0.000 0.219 1282 S C -0.129 174.468 174.600 -0.006 0.000 0.985 1282 S CA 0.083 58.281 58.200 -0.004 0.000 0.914 1282 S CB 0.536 63.734 63.200 -0.003 0.000 0.776 1282 S HN 0.503 nan 8.310 nan 0.000 0.526 1283 S N 1.913 117.606 115.700 -0.011 0.000 2.451 1283 S HA 0.374 4.844 4.470 0.000 0.000 0.301 1283 S C -0.227 174.362 174.600 -0.018 0.000 1.116 1283 S CA -0.776 57.415 58.200 -0.015 0.000 1.093 1283 S CB 1.324 64.512 63.200 -0.019 0.000 1.017 1283 S HN 0.228 nan 8.310 nan 0.000 0.482 1284 K N 1.968 122.359 120.400 -0.016 0.000 2.355 1284 K HA 0.266 4.586 4.320 0.000 0.000 0.270 1284 K C -0.465 176.112 176.600 -0.039 0.000 1.003 1284 K CA -0.127 56.151 56.287 -0.016 0.000 0.957 1284 K CB 0.313 32.809 32.500 -0.007 0.000 0.939 1284 K HN 0.404 nan 8.250 nan 0.000 0.482 1285 I N 2.917 123.463 120.570 -0.041 0.000 2.354 1285 I HA 0.127 4.298 4.170 0.000 0.000 0.286 1285 I C -0.207 175.837 176.117 -0.122 0.000 1.007 1285 I CA -0.307 60.935 61.300 -0.097 0.000 1.167 1285 I CB 0.974 38.942 38.000 -0.054 0.000 1.320 1285 I HN 0.493 nan 8.210 nan 0.000 0.458 1286 T N 5.715 120.149 114.554 -0.201 0.000 2.756 1286 T HA 0.407 4.757 4.350 0.000 0.000 0.290 1286 T C -0.141 174.405 174.700 -0.257 0.000 0.985 1286 T CA -0.360 61.654 62.100 -0.142 0.000 0.955 1286 T CB 0.656 69.483 68.868 -0.069 0.000 0.930 1286 T HN 0.297 nan 8.240 nan 0.000 0.451 1287 H N 2.670 121.755 119.070 0.024 0.000 2.469 1287 H HA 0.430 4.987 4.556 0.000 0.000 0.342 1287 H C 0.060 175.411 175.328 0.039 0.000 1.115 1287 H CA -0.641 55.425 56.048 0.030 0.000 1.204 1287 H CB 1.634 31.411 29.762 0.024 0.000 1.492 1287 H HN 0.344 nan 8.280 nan 0.000 0.499 1288 R N 3.259 123.872 120.500 0.187 0.000 2.312 1288 R HA 0.346 4.686 4.340 0.000 0.000 0.310 1288 R C -0.167 176.245 176.300 0.187 0.000 1.064 1288 R CA -0.437 55.761 56.100 0.164 0.000 0.983 1288 R CB 0.871 31.332 30.300 0.269 0.000 1.139 1288 R HN 0.485 nan 8.270 nan 0.000 0.536 1289 I N 4.460 125.067 120.570 0.062 0.000 2.308 1289 I HA 0.121 4.291 4.170 0.000 0.000 0.293 1289 I C 0.411 176.512 176.117 -0.027 0.000 1.078 1289 I CA 0.023 61.355 61.300 0.054 0.000 1.292 1289 I CB 0.174 38.194 38.000 0.033 0.000 1.423 1289 I HN 0.410 nan 8.210 nan 0.000 0.493 1290 H N 5.579 124.678 119.070 0.048 0.000 2.499 1290 H HA 0.180 4.736 4.556 0.000 0.000 0.340 1290 H C -0.531 174.845 175.328 0.080 0.000 1.148 1290 H CA -0.586 55.499 56.048 0.062 0.000 1.215 1290 H CB 2.380 32.161 29.762 0.032 0.000 1.529 1290 H HN 0.597 nan 8.280 nan 0.000 0.510 1291 W N 2.059 123.373 121.300 0.023 0.000 2.093 1291 W HA 0.029 4.690 4.660 0.000 0.000 0.352 1291 W C 0.001 176.502 176.519 -0.031 0.000 1.294 1291 W CA 0.196 57.503 57.345 -0.064 0.000 1.290 1291 W CB 0.472 29.807 29.460 -0.209 0.000 1.149 1291 W HN 0.848 nan 8.180 nan 0.000 0.606 1292 E N 0.497 120.101 120.200 -0.995 0.000 3.181 1292 E HA -0.209 4.141 4.350 0.000 0.000 0.293 1292 E C -0.440 175.956 176.600 -0.340 0.000 0.936 1292 E CA 0.877 56.928 56.400 -0.582 0.000 0.975 1292 E CB -1.664 27.923 29.700 -0.189 0.000 1.496 1292 E HN 0.361 nan 8.360 nan 0.000 0.429 1293 S N -0.846 114.649 115.700 -0.342 0.000 2.605 1293 S HA 0.694 5.164 4.470 0.000 0.000 0.308 1293 S C 0.068 174.543 174.600 -0.209 0.000 1.113 1293 S CA -0.342 57.742 58.200 -0.193 0.000 1.049 1293 S CB 2.075 65.226 63.200 -0.081 0.000 1.001 1293 S HN 0.407 nan 8.310 nan 0.000 0.480 1294 A N 2.942 125.664 122.820 -0.164 0.000 3.051 1294 A HA 0.536 4.856 4.320 0.000 0.000 0.275 1294 A C 1.157 178.687 177.584 -0.090 0.000 1.900 1294 A CA 0.204 52.159 52.037 -0.138 0.000 1.496 1294 A CB -1.477 17.461 19.000 -0.104 0.000 1.013 1294 A HN 1.543 nan 8.150 nan 0.000 0.611 1295 S N 0.015 115.662 115.700 -0.089 0.000 6.019 1295 S HA 0.145 4.615 4.470 0.000 0.000 0.113 1295 S C 0.644 175.223 174.600 -0.035 0.000 1.136 1295 S CA 0.476 58.647 58.200 -0.048 0.000 1.404 1295 S CB -0.613 62.568 63.200 -0.030 0.000 2.048 1295 S HN 1.072 nan 8.310 nan 0.000 0.602 1296 L N 0.930 122.140 121.223 -0.022 0.000 4.813 1296 L HA -0.134 4.206 4.340 0.000 0.000 0.434 1296 L C -0.716 176.157 176.870 0.004 0.000 1.106 1296 L CA 0.516 55.362 54.840 0.010 0.000 0.991 1296 L CB -1.508 40.571 42.059 0.033 0.000 2.005 1296 L HN 0.521 nan 8.230 nan 0.000 0.817 1297 L N -0.180 121.035 121.223 -0.014 0.000 2.409 1297 L HA 0.631 4.972 4.340 0.000 0.000 0.272 1297 L C 0.016 176.853 176.870 -0.056 0.000 0.980 1297 L CA -0.308 54.515 54.840 -0.028 0.000 0.826 1297 L CB 2.052 44.099 42.059 -0.020 0.000 1.268 1297 L HN 0.021 nan 8.230 nan 0.000 0.407 1298 R N 1.437 121.874 120.500 -0.105 0.000 2.621 1298 R HA 0.683 5.023 4.340 0.000 0.000 0.284 1298 R C -1.181 174.992 176.300 -0.212 0.000 0.998 1298 R CA -0.470 55.512 56.100 -0.197 0.000 0.895 1298 R CB 2.520 32.592 30.300 -0.379 0.000 1.195 1298 R HN 0.690 nan 8.270 nan 0.000 0.450 1299 S N 1.299 116.900 115.700 -0.166 0.000 2.570 1299 S HA 0.649 5.119 4.470 0.000 0.000 0.286 1299 S C -0.964 173.596 174.600 -0.066 0.000 1.099 1299 S CA -1.008 57.130 58.200 -0.102 0.000 0.913 1299 S CB 2.672 65.841 63.200 -0.051 0.000 1.085 1299 S HN 0.392 nan 8.310 nan 0.000 0.480 1300 E N 0.843 121.014 120.200 -0.049 0.000 2.331 1300 E HA 0.518 4.869 4.350 0.000 0.000 0.275 1300 E C -1.505 175.065 176.600 -0.050 0.000 0.895 1300 E CA -0.492 55.891 56.400 -0.028 0.000 0.753 1300 E CB 2.314 32.005 29.700 -0.014 0.000 1.216 1300 E HN 0.763 nan 8.360 nan 0.000 0.434 1301 E N 0.553 120.728 120.200 -0.041 0.000 2.210 1301 E HA 0.474 4.824 4.350 0.000 0.000 0.266 1301 E C -0.918 175.653 176.600 -0.049 0.000 0.883 1301 E CA -0.693 55.683 56.400 -0.040 0.000 0.761 1301 E CB 1.875 31.564 29.700 -0.019 0.000 1.156 1301 E HN 0.411 nan 8.360 nan 0.000 0.412 1302 T N -0.878 113.642 114.554 -0.057 0.000 2.861 1302 T HA 0.403 4.754 4.350 0.000 0.000 0.287 1302 T C 0.385 175.071 174.700 -0.023 0.000 1.003 1302 T CA -1.071 60.998 62.100 -0.051 0.000 0.977 1302 T CB 1.464 70.280 68.868 -0.087 0.000 0.996 1302 T HN 0.322 nan 8.240 nan 0.000 0.448 1303 K N 0.628 121.021 120.400 -0.012 0.000 2.487 1303 K HA 0.122 4.443 4.320 0.000 0.000 0.192 1303 K C 0.518 177.122 176.600 0.007 0.000 1.027 1303 K CA 0.387 56.676 56.287 0.003 0.000 1.054 1303 K CB 0.325 32.829 32.500 0.007 0.000 0.824 1303 K HN 0.671 nan 8.250 nan 0.000 0.510 1304 E N 1.372 121.572 120.200 -0.000 0.000 2.199 1304 E HA 0.085 4.435 4.350 0.000 0.000 0.265 1304 E C -1.141 175.466 176.600 0.012 0.000 0.882 1304 E CA -0.679 55.724 56.400 0.006 0.000 0.759 1304 E CB 0.946 30.648 29.700 0.003 0.000 1.148 1304 E HN -0.114 nan 8.360 nan 0.000 0.412 1305 N N 4.121 122.830 118.700 0.015 0.000 2.410 1305 N HA -0.031 4.710 4.740 0.000 0.000 0.281 1305 N C -1.102 174.437 175.510 0.048 0.000 1.241 1305 N CA 0.418 53.483 53.050 0.025 0.000 0.998 1305 N CB 0.230 38.715 38.487 -0.005 0.000 1.376 1305 N HN 0.372 nan 8.380 nan 0.000 0.490 1306 E N 0.911 121.168 120.200 0.095 0.000 2.214 1306 E HA 0.409 4.759 4.350 0.000 0.000 0.274 1306 E C 0.008 176.744 176.600 0.226 0.000 0.977 1306 E CA -0.828 55.653 56.400 0.136 0.000 0.827 1306 E CB 1.461 31.234 29.700 0.122 0.000 1.130 1306 E HN 0.546 nan 8.360 nan 0.000 0.394 1307 G N 2.790 111.677 108.800 0.146 0.000 2.696 1307 G HA2 0.440 4.400 3.960 0.000 0.000 0.329 1307 G HA3 0.440 4.400 3.960 0.000 0.000 0.329 1307 G C -0.355 174.609 174.900 0.107 0.000 0.973 1307 G CA -0.405 44.739 45.100 0.073 0.000 1.257 1307 G HN 0.305 nan 8.290 nan 0.000 0.456 1308 F N 0.480 120.428 119.950 -0.004 0.000 2.572 1308 F HA 0.896 5.423 4.527 0.000 0.000 0.342 1308 F C -0.034 175.767 175.800 0.002 0.000 1.064 1308 F CA -1.208 56.792 58.000 0.001 0.000 1.008 1308 F CB 1.596 40.599 39.000 0.005 0.000 1.303 1308 F HN 0.112 nan 8.300 nan 0.000 0.492 1309 T N 1.298 115.928 114.554 0.126 0.000 2.876 1309 T HA 0.617 4.967 4.350 0.000 0.000 0.289 1309 T C -1.076 173.704 174.700 0.133 0.000 1.014 1309 T CA -0.638 61.474 62.100 0.020 0.000 0.986 1309 T CB 1.878 70.755 68.868 0.015 0.000 1.021 1309 T HN 0.571 nan 8.240 nan 0.000 0.458 1310 V N 2.555 122.514 119.914 0.076 0.000 2.555 1310 V HA 0.625 4.745 4.120 0.000 0.000 0.302 1310 V C -0.129 176.001 176.094 0.060 0.000 1.038 1310 V CA -0.726 61.641 62.300 0.112 0.000 0.887 1310 V CB 2.064 33.966 31.823 0.132 0.000 0.991 1310 V HN 1.023 nan 8.190 nan 0.000 0.434 1311 T N 4.030 118.621 114.554 0.062 0.000 2.864 1311 T HA 0.674 5.024 4.350 0.000 0.000 0.310 1311 T C 0.135 174.859 174.700 0.040 0.000 1.040 1311 T CA -0.179 61.945 62.100 0.041 0.000 0.977 1311 T CB 1.376 70.265 68.868 0.034 0.000 0.976 1311 T HN 0.929 nan 8.240 nan 0.000 0.459 1312 A N 2.826 125.665 122.820 0.031 0.000 2.246 1312 A HA 0.839 5.159 4.320 0.000 0.000 0.291 1312 A C 0.065 177.660 177.584 0.018 0.000 1.103 1312 A CA -0.545 51.508 52.037 0.027 0.000 0.844 1312 A CB 0.665 19.678 19.000 0.021 0.000 1.136 1312 A HN 0.800 nan 8.150 nan 0.000 0.500 1313 E N -1.123 119.083 120.200 0.011 0.000 2.481 1313 E HA 0.469 4.819 4.350 0.000 0.000 0.301 1313 E C -0.361 176.236 176.600 -0.005 0.000 0.948 1313 E CA 0.273 56.676 56.400 0.006 0.000 0.804 1313 E CB 0.949 30.655 29.700 0.010 0.000 1.265 1313 E HN 2.106 nan 8.360 nan 0.000 0.406 1314 G N 2.910 111.706 108.800 -0.006 0.000 2.342 1314 G HA2 -0.080 3.880 3.960 0.000 0.000 0.220 1314 G HA3 -0.080 3.880 3.960 0.000 0.000 0.220 1314 G C -1.372 173.519 174.900 -0.014 0.000 1.243 1314 G CA -0.647 44.445 45.100 -0.014 0.000 1.083 1314 G HN 0.447 nan 8.290 nan 0.000 0.500 1315 K N 0.088 120.475 120.400 -0.022 0.000 2.095 1315 K HA 0.751 5.072 4.320 0.000 0.000 0.252 1315 K C 0.494 177.077 176.600 -0.027 0.000 0.977 1315 K CA 0.812 57.087 56.287 -0.021 0.000 0.900 1315 K CB 1.316 33.803 32.500 -0.021 0.000 1.060 1315 K HN 2.352 nan 8.250 nan 0.000 0.449 1316 G N 0.587 109.373 108.800 -0.023 0.000 2.576 1316 G HA2 -0.110 3.850 3.960 0.000 0.000 0.686 1316 G HA3 -0.110 3.850 3.960 0.000 0.000 0.686 1316 G C -1.569 173.324 174.900 -0.011 0.000 1.242 1316 G CA -0.957 44.130 45.100 -0.023 0.000 0.819 1316 G HN 0.497 nan 8.290 nan 0.000 0.655 1317 Q N 0.591 120.387 119.800 -0.008 0.000 2.372 1317 Q HA 0.610 4.950 4.340 0.000 0.000 0.259 1317 Q C 0.678 176.684 176.000 0.010 0.000 0.993 1317 Q CA -0.003 55.800 55.803 0.000 0.000 0.854 1317 Q CB 0.827 29.564 28.738 -0.002 0.000 1.231 1317 Q HN 1.202 nan 8.270 nan 0.000 0.462 1318 G N 1.694 110.501 108.800 0.012 0.000 2.938 1318 G HA2 0.712 4.672 3.960 0.000 0.000 0.258 1318 G HA3 0.712 4.672 3.960 0.000 0.000 0.258 1318 G C -0.956 173.954 174.900 0.017 0.000 1.356 1318 G CA -0.376 44.735 45.100 0.018 0.000 1.052 1318 G HN 0.518 nan 8.290 nan 0.000 0.550 1319 T N -0.442 114.123 114.554 0.018 0.000 2.923 1319 T HA 0.487 4.837 4.350 0.000 0.000 0.311 1319 T C -1.701 173.011 174.700 0.019 0.000 1.183 1319 T CA -0.294 61.816 62.100 0.017 0.000 1.020 1319 T CB 1.924 70.803 68.868 0.018 0.000 1.165 1319 T HN 0.487 nan 8.240 nan 0.000 0.482 1320 L N 3.494 124.730 121.223 0.022 0.000 2.415 1320 L HA 0.652 4.992 4.340 0.000 0.000 0.268 1320 L C -0.481 176.410 176.870 0.035 0.000 0.984 1320 L CA -0.336 54.523 54.840 0.033 0.000 0.853 1320 L CB 1.212 43.295 42.059 0.041 0.000 1.215 1320 L HN 0.729 nan 8.230 nan 0.000 0.419 1321 S N 3.796 119.518 115.700 0.037 0.000 2.456 1321 S HA 0.802 5.273 4.470 0.000 0.000 0.316 1321 S C -0.597 174.038 174.600 0.058 0.000 1.089 1321 S CA -0.700 57.523 58.200 0.038 0.000 1.101 1321 S CB 1.552 64.767 63.200 0.026 0.000 0.995 1321 S HN 0.311 nan 8.310 nan 0.000 0.468 1322 V N 4.095 124.052 119.914 0.071 0.000 2.357 1322 V HA 0.461 4.581 4.120 0.000 0.000 0.284 1322 V C -0.530 175.607 176.094 0.072 0.000 1.018 1322 V CA -0.605 61.758 62.300 0.105 0.000 0.841 1322 V CB 1.265 33.191 31.823 0.172 0.000 0.991 1322 V HN 0.842 nan 8.190 nan 0.000 0.437 1323 V N 4.675 124.626 119.914 0.061 0.000 2.407 1323 V HA 0.488 4.608 4.120 0.000 0.000 0.291 1323 V C 0.391 176.516 176.094 0.051 0.000 1.018 1323 V CA -0.462 61.868 62.300 0.049 0.000 0.842 1323 V CB 2.110 33.956 31.823 0.038 0.000 0.996 1323 V HN 0.975 nan 8.190 nan 0.000 0.426 1324 T N 2.701 117.288 114.554 0.054 0.000 2.928 1324 T HA 0.814 5.164 4.350 0.000 0.000 0.284 1324 T C -0.458 174.301 174.700 0.097 0.000 1.008 1324 T CA -0.663 61.471 62.100 0.056 0.000 1.057 1324 T CB 1.922 70.803 68.868 0.022 0.000 1.018 1324 T HN 0.496 nan 8.240 nan 0.000 0.493 1325 M N 2.780 122.444 119.600 0.107 0.000 2.393 1325 M HA 0.630 5.110 4.480 0.000 0.000 0.299 1325 M C -1.758 174.654 176.300 0.186 0.000 1.103 1325 M CA -0.869 54.506 55.300 0.124 0.000 0.910 1325 M CB 1.883 34.500 32.600 0.027 0.000 1.659 1325 M HN 1.004 nan 8.290 nan 0.000 0.445 1326 Y N -0.166 120.057 120.300 -0.129 0.000 2.788 1326 Y HA 0.518 5.069 4.550 0.000 0.000 0.335 1326 Y C -1.732 174.017 175.900 -0.251 0.000 1.287 1326 Y CA -1.345 56.666 58.100 -0.147 0.000 1.068 1326 Y CB 1.152 39.591 38.460 -0.035 0.000 1.340 1326 Y HN 0.535 nan 8.280 nan 0.000 0.449 1327 H N 1.530 120.505 119.070 -0.158 0.000 2.541 1327 H HA 0.719 5.275 4.556 0.000 0.000 0.316 1327 H C -0.426 174.736 175.328 -0.278 0.000 1.043 1327 H CA -0.200 55.695 56.048 -0.255 0.000 1.232 1327 H CB 1.569 31.291 29.762 -0.067 0.000 1.406 1327 H HN 0.899 nan 8.280 nan 0.000 0.469 1328 A N 3.577 126.191 122.820 -0.343 0.000 2.252 1328 A HA 0.277 4.597 4.320 0.000 0.000 0.305 1328 A C 0.433 178.022 177.584 0.009 0.000 1.097 1328 A CA -0.747 51.226 52.037 -0.106 0.000 0.849 1328 A CB 0.816 19.723 19.000 -0.156 0.000 1.142 1328 A HN 0.674 nan 8.150 nan 0.000 0.499 1329 K N 0.319 120.751 120.400 0.055 0.000 2.350 1329 K HA 0.451 4.771 4.320 0.000 0.000 0.279 1329 K C -0.110 176.504 176.600 0.023 0.000 1.027 1329 K CA 0.136 56.446 56.287 0.040 0.000 0.969 1329 K CB 0.580 33.108 32.500 0.047 0.000 0.954 1329 K HN 0.752 nan 8.250 nan 0.000 0.474 1330 A N 3.734 126.564 122.820 0.017 0.000 2.311 1330 A HA 0.347 4.667 4.320 0.000 0.000 0.334 1330 A C -0.266 177.328 177.584 0.016 0.000 1.139 1330 A CA -0.632 51.413 52.037 0.014 0.000 0.830 1330 A CB 0.946 19.953 19.000 0.011 0.000 1.234 1330 A HN 0.880 nan 8.150 nan 0.000 0.483 1331 K N 0.519 120.929 120.400 0.016 0.000 2.387 1331 K HA 0.209 4.529 4.320 0.000 0.000 0.203 1331 K C -1.104 175.506 176.600 0.017 0.000 1.030 1331 K CA -0.128 56.169 56.287 0.017 0.000 1.099 1331 K CB 0.220 32.730 32.500 0.016 0.000 0.863 1331 K HN 0.779 nan 8.250 nan 0.000 0.529 1332 D N 0.060 120.470 120.400 0.017 0.000 10.730 1332 D HA -0.148 4.492 4.640 0.000 0.000 0.336 1332 D C 0.090 176.401 176.300 0.019 0.000 3.136 1332 D CA 0.592 54.603 54.000 0.019 0.000 2.711 1332 D CB 0.162 40.974 40.800 0.021 0.000 1.218 1332 D HN 0.110 nan 8.370 nan 0.000 0.943 1333 Q N 1.005 120.817 119.800 0.020 0.000 2.505 1333 Q HA 0.549 4.889 4.340 0.000 0.000 0.184 1333 Q C 1.588 177.602 176.000 0.024 0.000 0.878 1333 Q CA 1.591 57.406 55.803 0.020 0.000 0.811 1333 Q CB 0.218 28.968 28.738 0.019 0.000 1.118 1333 Q HN 0.687 nan 8.270 nan 0.000 0.605 1334 L N -4.555 116.685 121.223 0.028 0.000 1.967 1334 L HA 0.424 4.764 4.340 0.000 0.000 0.222 1334 L C 1.206 178.100 176.870 0.040 0.000 1.189 1334 L CA 0.629 55.490 54.840 0.035 0.000 1.303 1334 L CB 0.175 42.255 42.059 0.036 0.000 2.607 1334 L HN 0.379 nan 8.230 nan 0.000 0.524 1335 T N -3.947 110.630 114.554 0.038 0.000 3.478 1335 T HA 0.227 4.577 4.350 0.000 0.000 0.223 1335 T C 1.263 175.987 174.700 0.039 0.000 0.958 1335 T CA 1.171 63.291 62.100 0.034 0.000 1.324 1335 T CB 0.444 69.329 68.868 0.029 0.000 1.262 1335 T HN 0.443 nan 8.240 nan 0.000 0.379 1336 c N 1.889 120.516 118.600 0.045 0.000 5.885 1336 c HA -0.332 4.239 4.570 0.000 0.000 0.328 1336 c C 1.757 175.890 174.090 0.071 0.000 2.431 1336 c CA 0.937 57.307 56.329 0.069 0.000 2.195 1336 c CB -2.265 40.298 42.510 0.088 0.000 3.233 1336 c HN 0.925 nan 8.230 nan 0.000 0.262 1337 N N -0.651 118.070 118.700 0.035 0.000 2.341 1337 N HA -0.320 4.420 4.740 0.000 0.000 0.229 1337 N C 0.539 176.016 175.510 -0.056 0.000 0.769 1337 N CA 2.708 55.758 53.050 -0.000 0.000 2.688 1337 N CB -0.975 37.516 38.487 0.007 0.000 0.826 1337 N HN 0.718 nan 8.380 nan 0.000 0.488 1338 K N -0.500 119.879 120.400 -0.035 0.000 2.367 1338 K HA 0.356 4.676 4.320 0.000 0.000 0.195 1338 K C -0.226 176.109 176.600 -0.442 0.000 1.060 1338 K CA 0.303 56.429 56.287 -0.269 0.000 1.022 1338 K CB 0.524 32.942 32.500 -0.137 0.000 0.894 1338 K HN 0.121 nan 8.250 nan 0.000 0.540 1339 F N 0.752 120.628 119.950 -0.124 0.000 2.547 1339 F HA 0.327 4.854 4.527 0.000 0.000 0.316 1339 F C -0.354 175.436 175.800 -0.016 0.000 1.121 1339 F CA -1.419 56.554 58.000 -0.045 0.000 0.911 1339 F CB 1.689 40.700 39.000 0.018 0.000 1.179 1339 F HN -0.232 nan 8.300 nan 0.000 0.443 1340 D N 2.406 122.887 120.400 0.134 0.000 2.225 1340 D HA 0.591 5.231 4.640 0.000 0.000 0.249 1340 D C -1.242 175.144 176.300 0.144 0.000 1.052 1340 D CA -0.067 53.997 54.000 0.106 0.000 0.909 1340 D CB 2.039 42.873 40.800 0.055 0.000 1.186 1340 D HN 0.310 nan 8.370 nan 0.000 0.431 1341 L N 1.779 123.062 121.223 0.101 0.000 2.543 1341 L HA 0.378 4.718 4.340 0.000 0.000 0.265 1341 L C -1.552 175.353 176.870 0.058 0.000 0.945 1341 L CA -0.486 54.406 54.840 0.086 0.000 0.869 1341 L CB 1.739 43.843 42.059 0.075 0.000 1.294 1341 L HN 0.143 nan 8.230 nan 0.000 0.405 1342 K N 3.358 123.787 120.400 0.048 0.000 2.463 1342 K HA 0.806 5.127 4.320 0.000 0.000 0.255 1342 K C -1.481 175.131 176.600 0.019 0.000 0.942 1342 K CA -0.403 55.905 56.287 0.034 0.000 0.814 1342 K CB 2.436 34.952 32.500 0.027 0.000 1.122 1342 K HN 0.300 nan 8.250 nan 0.000 0.425 1343 V N 2.762 122.687 119.914 0.018 0.000 2.487 1343 V HA 0.507 4.627 4.120 0.000 0.000 0.298 1343 V C -0.678 175.397 176.094 -0.031 0.000 1.028 1343 V CA -0.667 61.624 62.300 -0.015 0.000 0.860 1343 V CB 2.017 33.853 31.823 0.022 0.000 0.991 1343 V HN 0.802 nan 8.190 nan 0.000 0.427 1344 T N 5.721 120.217 114.554 -0.097 0.000 2.841 1344 T HA 0.664 5.014 4.350 0.000 0.000 0.283 1344 T C -0.771 173.820 174.700 -0.181 0.000 1.000 1344 T CA -0.293 61.750 62.100 -0.095 0.000 0.977 1344 T CB 1.884 70.707 68.868 -0.074 0.000 0.979 1344 T HN 0.437 nan 8.240 nan 0.000 0.446 1345 I N 3.115 123.604 120.570 -0.134 0.000 2.448 1345 I HA 0.445 4.615 4.170 0.000 0.000 0.281 1345 I C -0.812 175.231 176.117 -0.123 0.000 1.027 1345 I CA -0.471 60.722 61.300 -0.179 0.000 1.111 1345 I CB 0.427 38.354 38.000 -0.122 0.000 1.236 1345 I HN 0.451 nan 8.210 nan 0.000 0.452 1346 K N 7.499 127.818 120.400 -0.134 0.000 2.267 1346 K HA 0.672 4.992 4.320 0.000 0.000 0.246 1346 K C -2.658 173.889 176.600 -0.088 0.000 0.954 1346 K CA -1.833 54.399 56.287 -0.092 0.000 0.824 1346 K CB 1.576 34.031 32.500 -0.075 0.000 1.167 1346 K HN 0.240 nan 8.250 nan 0.000 0.431 1347 P HA 0.077 nan 4.420 nan 0.000 0.274 1347 P C -1.133 176.144 177.300 -0.038 0.000 1.231 1347 P CA -0.380 62.696 63.100 -0.041 0.000 0.790 1347 P CB 0.737 32.422 31.700 -0.025 0.000 0.951 1348 A N 3.371 126.174 122.820 -0.028 0.000 2.351 1348 A HA 0.528 4.849 4.320 0.000 0.000 0.257 1348 A C -1.397 176.181 177.584 -0.010 0.000 1.087 1348 A CA -0.726 51.297 52.037 -0.023 0.000 0.798 1348 A CB -1.364 17.626 19.000 -0.018 0.000 1.033 1348 A HN 0.517 nan 8.150 nan 0.000 0.488 1360 N N 1.234 119.925 118.700 -0.016 0.000 2.135 1360 N HA -0.057 4.684 4.740 0.000 0.000 0.186 1360 N C -0.570 174.985 175.510 0.075 0.000 1.027 1360 N CA 1.929 55.005 53.050 0.042 0.000 0.849 1360 N CB -0.066 38.491 38.487 0.116 0.000 1.002 1360 N HN 0.442 nan 8.380 nan 0.000 0.425 1361 T N 0.235 114.833 114.554 0.073 0.000 0.574 1361 T HA -0.257 4.093 4.350 0.000 0.000 0.770 1361 T C -0.409 174.303 174.700 0.021 0.000 0.992 1361 T CA 0.654 62.758 62.100 0.006 0.000 4.057 1361 T CB -0.760 68.092 68.868 -0.026 0.000 2.291 1361 T HN 0.126 nan 8.240 nan 0.000 0.395 1362 M N 4.444 124.043 119.600 -0.002 0.000 2.691 1362 M HA 0.616 5.096 4.480 0.000 0.000 0.293 1362 M C -0.196 175.998 176.300 -0.178 0.000 1.259 1362 M CA -1.085 54.168 55.300 -0.078 0.000 0.827 1362 M CB 2.226 34.763 32.600 -0.105 0.000 1.753 1362 M HN 0.531 nan 8.290 nan 0.000 0.465 1363 I N 2.242 122.697 120.570 -0.192 0.000 2.321 1363 I HA 0.287 4.457 4.170 0.000 0.000 0.291 1363 I C -1.140 174.774 176.117 -0.338 0.000 0.998 1363 I CA -0.762 60.395 61.300 -0.238 0.000 1.227 1363 I CB 1.460 39.369 38.000 -0.152 0.000 1.368 1363 I HN 0.355 nan 8.210 nan 0.000 0.466 1364 L N 7.655 128.566 121.223 -0.520 0.000 2.283 1364 L HA 0.378 4.719 4.340 0.000 0.000 0.281 1364 L C -0.139 176.478 176.870 -0.422 0.000 1.033 1364 L CA -0.007 54.457 54.840 -0.626 0.000 0.848 1364 L CB 0.841 42.301 42.059 -0.999 0.000 1.226 1364 L HN 0.524 nan 8.230 nan 0.000 0.429 1365 E N 4.574 124.617 120.200 -0.261 0.000 2.174 1365 E HA 0.490 4.840 4.350 0.000 0.000 0.282 1365 E C -1.097 175.446 176.600 -0.095 0.000 0.992 1365 E CA -0.407 55.916 56.400 -0.127 0.000 0.803 1365 E CB 0.974 30.621 29.700 -0.088 0.000 1.090 1365 E HN 0.631 nan 8.360 nan 0.000 0.396 1366 I N 4.097 124.653 120.570 -0.024 0.000 2.433 1366 I HA 0.350 4.520 4.170 0.000 0.000 0.292 1366 I C -0.898 175.234 176.117 0.025 0.000 1.001 1366 I CA -0.826 60.476 61.300 0.004 0.000 1.119 1366 I CB 1.722 39.748 38.000 0.043 0.000 1.289 1366 I HN 0.544 nan 8.210 nan 0.000 0.438 1367 c N 3.987 122.605 118.600 0.030 0.000 2.397 1367 c HA 0.695 5.265 4.570 0.000 0.000 0.325 1367 c C 0.229 174.359 174.090 0.067 0.000 1.201 1367 c CA -0.391 55.964 56.329 0.042 0.000 1.377 1367 c CB 1.403 43.930 42.510 0.028 0.000 2.038 1367 c HN 0.808 nan 8.230 nan 0.000 0.457 1368 T N 2.929 117.536 114.554 0.089 0.000 2.883 1368 T HA 0.822 5.172 4.350 0.000 0.000 0.296 1368 T C -1.316 173.463 174.700 0.132 0.000 1.117 1368 T CA -0.490 61.694 62.100 0.140 0.000 1.006 1368 T CB 1.575 70.561 68.868 0.197 0.000 1.191 1368 T HN 0.853 nan 8.240 nan 0.000 0.508 1369 R N 1.392 121.982 120.500 0.150 0.000 2.604 1369 R HA 0.336 4.676 4.340 0.000 0.000 0.261 1369 R C -2.179 174.107 176.300 -0.024 0.000 1.080 1369 R CA -0.729 55.419 56.100 0.080 0.000 0.917 1369 R CB 1.360 31.688 30.300 0.046 0.000 1.252 1369 R HN 0.713 nan 8.270 nan 0.000 0.456 1370 Y N 2.489 122.667 120.300 -0.203 0.000 2.304 1370 Y HA 0.317 4.867 4.550 0.000 0.000 0.328 1370 Y C 0.525 176.304 175.900 -0.203 0.000 1.123 1370 Y CA -0.058 57.787 58.100 -0.425 0.000 1.218 1370 Y CB 1.149 39.417 38.460 -0.319 0.000 1.207 1370 Y HN 0.509 nan 8.280 nan 0.000 0.495 1371 R N 3.720 123.810 120.500 -0.684 0.000 2.568 1371 R HA 0.233 4.573 4.340 0.000 0.000 0.288 1371 R C 0.451 176.583 176.300 -0.281 0.000 1.077 1371 R CA 0.098 55.988 56.100 -0.349 0.000 1.102 1371 R CB 0.039 30.164 30.300 -0.291 0.000 1.278 1371 R HN 0.858 nan 8.270 nan 0.000 0.560 1372 G N -0.294 108.411 108.800 -0.158 0.000 2.890 1372 G HA2 0.057 4.017 3.960 0.000 0.000 0.189 1372 G HA3 0.057 4.017 3.960 0.000 0.000 0.189 1372 G C -0.163 174.761 174.900 0.040 0.000 1.342 1372 G CA -0.286 44.847 45.100 0.055 0.000 1.026 1372 G HN 0.002 nan 8.290 nan 0.000 0.579 1373 D N -0.907 119.463 120.400 -0.050 0.000 2.454 1373 D HA 0.183 4.824 4.640 0.000 0.000 0.214 1373 D C 0.620 176.560 176.300 -0.600 0.000 1.088 1373 D CA 0.314 54.177 54.000 -0.227 0.000 0.855 1373 D CB 0.620 41.363 40.800 -0.094 0.000 1.025 1373 D HN 0.143 nan 8.370 nan 0.000 0.502 1374 Q N 0.522 120.081 119.800 -0.402 0.000 2.297 1374 Q HA 0.355 4.696 4.340 0.000 0.000 0.269 1374 Q C -0.841 174.974 176.000 -0.308 0.000 1.051 1374 Q CA -0.584 54.993 55.803 -0.377 0.000 0.869 1374 Q CB 1.128 29.762 28.738 -0.174 0.000 1.346 1374 Q HN -0.054 nan 8.270 nan 0.000 0.457 1375 D N 1.043 121.374 120.400 -0.115 0.000 2.371 1375 D HA 0.325 4.965 4.640 0.000 0.000 0.256 1375 D C -0.172 176.001 176.300 -0.210 0.000 1.193 1375 D CA 0.098 54.082 54.000 -0.026 0.000 0.881 1375 D CB 0.668 41.507 40.800 0.065 0.000 1.143 1375 D HN 0.537 nan 8.370 nan 0.000 0.473 1376 A N 2.683 125.240 122.820 -0.438 0.000 2.507 1376 A HA 0.360 4.681 4.320 0.000 0.000 0.235 1376 A C 1.211 178.719 177.584 -0.127 0.000 1.070 1376 A CA -0.190 51.533 52.037 -0.523 0.000 0.768 1376 A CB 0.039 18.587 19.000 -0.753 0.000 1.011 1376 A HN 0.645 nan 8.150 nan 0.000 0.502 1377 T N 0.203 114.760 114.554 0.005 0.000 4.022 1377 T HA 0.413 4.763 4.350 0.000 0.000 0.347 1377 T C 0.639 175.416 174.700 0.129 0.000 1.227 1377 T CA -0.267 61.884 62.100 0.085 0.000 0.898 1377 T CB -0.149 68.814 68.868 0.158 0.000 2.033 1377 T HN 0.453 nan 8.240 nan 0.000 0.525 1378 M N 2.164 121.839 119.600 0.125 0.000 2.427 1378 M HA 0.237 4.717 4.480 0.000 0.000 0.345 1378 M C -0.439 175.982 176.300 0.200 0.000 1.653 1378 M CA 0.260 55.613 55.300 0.089 0.000 1.138 1378 M CB -0.166 32.377 32.600 -0.094 0.000 1.995 1378 M HN 0.529 nan 8.290 nan 0.000 0.459 1379 S N 3.490 119.270 115.700 0.135 0.000 2.648 1379 S HA 0.776 5.246 4.470 0.000 0.000 0.305 1379 S C -0.596 173.955 174.600 -0.083 0.000 1.094 1379 S CA -0.837 57.393 58.200 0.050 0.000 0.983 1379 S CB 1.470 64.753 63.200 0.138 0.000 1.101 1379 S HN 0.444 nan 8.310 nan 0.000 0.514 1380 I N 1.214 121.549 120.570 -0.392 0.000 2.493 1380 I HA 0.413 4.583 4.170 0.000 0.000 0.298 1380 I C -0.804 175.085 176.117 -0.380 0.000 0.998 1380 I CA -0.220 60.792 61.300 -0.480 0.000 1.137 1380 I CB 1.243 38.744 38.000 -0.831 0.000 1.310 1380 I HN 0.405 nan 8.210 nan 0.000 0.445 1381 L N 5.181 126.244 121.223 -0.265 0.000 2.313 1381 L HA 0.370 4.710 4.340 0.000 0.000 0.273 1381 L C -0.844 175.948 176.870 -0.130 0.000 1.028 1381 L CA -0.420 54.331 54.840 -0.149 0.000 0.871 1381 L CB 0.782 42.779 42.059 -0.102 0.000 1.242 1381 L HN 0.523 nan 8.230 nan 0.000 0.434 1382 D N 4.884 125.262 120.400 -0.037 0.000 2.313 1382 D HA 0.412 5.052 4.640 0.000 0.000 0.239 1382 D C -0.488 175.818 176.300 0.010 0.000 1.142 1382 D CA -0.062 53.935 54.000 -0.004 0.000 0.847 1382 D CB 1.118 41.972 40.800 0.089 0.000 1.082 1382 D HN 0.261 nan 8.370 nan 0.000 0.480 1383 I N 2.081 122.661 120.570 0.017 0.000 2.530 1383 I HA 0.252 4.422 4.170 0.000 0.000 0.297 1383 I C 0.370 176.540 176.117 0.087 0.000 1.011 1383 I CA -0.769 60.581 61.300 0.083 0.000 1.107 1383 I CB 1.971 40.050 38.000 0.131 0.000 1.285 1383 I HN 0.286 nan 8.210 nan 0.000 0.436 1384 S N 6.360 122.126 115.700 0.109 0.000 2.568 1384 S HA 0.691 5.161 4.470 0.000 0.000 0.302 1384 S C -0.561 174.118 174.600 0.133 0.000 1.082 1384 S CA -0.959 57.290 58.200 0.082 0.000 1.009 1384 S CB 2.045 65.259 63.200 0.023 0.000 1.069 1384 S HN 0.410 nan 8.310 nan 0.000 0.500 1385 M N 1.751 121.422 119.600 0.119 0.000 2.471 1385 M HA 0.377 4.857 4.480 0.000 0.000 0.309 1385 M C -0.133 176.181 176.300 0.023 0.000 1.186 1385 M CA -0.382 55.019 55.300 0.168 0.000 1.008 1385 M CB 1.107 33.842 32.600 0.225 0.000 1.551 1385 M HN 0.736 nan 8.290 nan 0.000 0.477 1386 M N 1.412 121.000 119.600 -0.019 0.000 2.429 1386 M HA 0.032 4.512 4.480 0.000 0.000 0.334 1386 M C 0.546 176.889 176.300 0.071 0.000 1.560 1386 M CA 0.085 55.304 55.300 -0.136 0.000 1.291 1386 M CB -0.430 31.924 32.600 -0.409 0.000 1.754 1386 M HN 0.708 nan 8.290 nan 0.000 0.456 1387 T N 3.284 117.871 114.554 0.055 0.000 2.355 1387 T HA -0.078 4.272 4.350 0.000 0.000 0.194 1387 T C 1.270 176.034 174.700 0.107 0.000 1.049 1387 T CA 1.820 63.971 62.100 0.085 0.000 1.211 1387 T CB -0.252 68.667 68.868 0.085 0.000 0.997 1387 T HN 1.107 nan 8.240 nan 0.000 0.448 1388 G N 3.472 112.271 108.800 -0.002 0.000 2.141 1388 G HA2 -0.193 3.767 3.960 0.000 0.000 0.231 1388 G HA3 -0.193 3.767 3.960 0.000 0.000 0.231 1388 G C -0.035 174.554 174.900 -0.518 0.000 0.984 1388 G CA -0.023 44.844 45.100 -0.389 0.000 0.660 1388 G HN 0.752 nan 8.290 nan 0.000 0.525 1389 F N 0.875 120.744 119.950 -0.136 0.000 2.508 1389 F HA 0.738 5.266 4.527 0.000 0.000 0.325 1389 F C 0.432 176.382 175.800 0.250 0.000 1.090 1389 F CA -0.136 57.882 58.000 0.030 0.000 0.945 1389 F CB 2.337 41.347 39.000 0.017 0.000 1.156 1389 F HN 0.337 nan 8.300 nan 0.000 0.463 1390 A N 4.479 127.473 122.820 0.291 0.000 2.371 1390 A HA 0.795 5.116 4.320 0.000 0.000 0.311 1390 A C -2.864 174.864 177.584 0.241 0.000 1.068 1390 A CA -2.011 50.122 52.037 0.160 0.000 0.744 1390 A CB 1.245 20.117 19.000 -0.214 0.000 1.239 1390 A HN 0.379 nan 8.150 nan 0.000 0.435 1391 P HA 0.140 nan 4.420 nan 0.000 0.271 1391 P C -0.735 176.808 177.300 0.405 0.000 1.233 1391 P CA 0.044 63.391 63.100 0.412 0.000 0.789 1391 P CB 0.482 32.430 31.700 0.413 0.000 0.951 1392 D N -0.300 120.366 120.400 0.443 0.000 2.317 1392 D HA 0.058 4.698 4.640 0.000 0.000 0.252 1392 D C 1.116 177.565 176.300 0.248 0.000 1.174 1392 D CA 0.104 54.365 54.000 0.434 0.000 0.866 1392 D CB 0.448 41.529 40.800 0.469 0.000 1.127 1392 D HN 0.311 nan 8.370 nan 0.000 0.467 1393 T N 1.070 115.731 114.554 0.179 0.000 2.607 1393 T HA -0.246 4.104 4.350 0.000 0.000 0.267 1393 T C 1.309 176.050 174.700 0.068 0.000 1.049 1393 T CA 1.241 63.393 62.100 0.087 0.000 1.162 1393 T CB -0.306 68.588 68.868 0.044 0.000 0.863 1393 T HN 0.327 nan 8.240 nan 0.000 0.424 1394 D N 1.529 121.975 120.400 0.076 0.000 2.182 1394 D HA -0.052 4.589 4.640 0.000 0.000 0.201 1394 D C 1.796 178.139 176.300 0.072 0.000 0.986 1394 D CA 1.114 55.151 54.000 0.060 0.000 0.847 1394 D CB -0.601 40.234 40.800 0.058 0.000 0.942 1394 D HN 0.466 nan 8.370 nan 0.000 0.467 1395 D N -0.799 119.669 120.400 0.113 0.000 2.277 1395 D HA 0.035 4.675 4.640 0.000 0.000 0.208 1395 D C 2.044 178.385 176.300 0.067 0.000 0.962 1395 D CA 0.182 54.253 54.000 0.118 0.000 0.865 1395 D CB 0.169 41.086 40.800 0.195 0.000 0.939 1395 D HN 0.175 nan 8.370 nan 0.000 0.510 1396 L N -0.000 121.240 121.223 0.030 0.000 2.049 1396 L HA -0.062 4.279 4.340 0.000 0.000 0.203 1396 L C 2.088 178.933 176.870 -0.042 0.000 1.074 1396 L CA 0.789 55.594 54.840 -0.058 0.000 0.749 1396 L CB -0.119 41.891 42.059 -0.083 0.000 0.907 1396 L HN -0.138 nan 8.230 nan 0.000 0.439 1397 K N -0.017 120.374 120.400 -0.015 0.000 2.127 1397 K HA -0.291 4.030 4.320 0.000 0.000 0.208 1397 K C 2.042 178.642 176.600 -0.000 0.000 1.047 1397 K CA 1.506 57.788 56.287 -0.008 0.000 0.927 1397 K CB -0.251 32.250 32.500 0.002 0.000 0.716 1397 K HN 0.083 nan 8.250 nan 0.000 0.450 1398 Q N 0.273 120.079 119.800 0.009 0.000 2.224 1398 Q HA -0.000 4.340 4.340 0.000 0.000 0.203 1398 Q C 1.564 177.570 176.000 0.011 0.000 0.970 1398 Q CA 1.296 57.109 55.803 0.017 0.000 0.865 1398 Q CB 0.072 28.828 28.738 0.030 0.000 0.922 1398 Q HN 0.347 nan 8.270 nan 0.000 0.445 1399 L N -0.986 120.233 121.223 -0.007 0.000 2.162 1399 L HA 0.108 4.448 4.340 0.000 0.000 0.205 1399 L C 2.293 179.157 176.870 -0.010 0.000 1.086 1399 L CA 0.700 55.531 54.840 -0.016 0.000 0.778 1399 L CB -0.690 41.333 42.059 -0.060 0.000 0.928 1399 L HN 0.225 nan 8.230 nan 0.000 0.446 1400 A N 0.887 123.694 122.820 -0.021 0.000 1.902 1400 A HA -0.221 4.099 4.320 0.000 0.000 0.217 1400 A C 1.923 179.531 177.584 0.040 0.000 1.181 1400 A CA 2.020 54.056 52.037 -0.002 0.000 0.623 1400 A CB -0.794 18.189 19.000 -0.028 0.000 0.818 1400 A HN 0.539 nan 8.150 nan 0.000 0.443 1401 N N -0.172 118.545 118.700 0.028 0.000 2.459 1401 N HA 0.051 4.792 4.740 0.000 0.000 0.181 1401 N C 0.996 176.526 175.510 0.034 0.000 1.046 1401 N CA 0.042 53.112 53.050 0.034 0.000 0.904 1401 N CB -0.119 38.383 38.487 0.024 0.000 0.964 1401 N HN 0.473 nan 8.380 nan 0.000 0.444 1402 G N 1.131 109.950 108.800 0.031 0.000 2.432 1402 G HA2 0.170 4.130 3.960 0.000 0.000 0.239 1402 G HA3 0.170 4.130 3.960 0.000 0.000 0.239 1402 G C -0.049 174.875 174.900 0.040 0.000 1.291 1402 G CA -0.299 44.820 45.100 0.031 0.000 0.863 1402 G HN -0.009 nan 8.290 nan 0.000 0.560 1403 V N 2.665 122.598 119.914 0.033 0.000 2.924 1403 V HA 0.220 4.340 4.120 0.000 0.000 0.305 1403 V C 0.914 177.030 176.094 0.037 0.000 1.073 1403 V CA 0.731 63.050 62.300 0.032 0.000 1.098 1403 V CB 1.026 32.861 31.823 0.021 0.000 1.000 1403 V HN 1.026 nan 8.190 nan 0.000 0.484 1404 D N 2.327 122.749 120.400 0.038 0.000 2.946 1404 D HA -0.143 4.497 4.640 0.000 0.000 0.202 1404 D C 0.332 176.673 176.300 0.068 0.000 1.068 1404 D CA 1.217 55.242 54.000 0.042 0.000 1.011 1404 D CB -0.543 40.278 40.800 0.036 0.000 1.105 1404 D HN 0.695 nan 8.370 nan 0.000 0.425 1405 R N -0.349 120.201 120.500 0.084 0.000 2.740 1405 R HA 0.632 4.973 4.340 0.000 0.000 0.282 1405 R C -0.921 175.494 176.300 0.191 0.000 0.969 1405 R CA -0.684 55.482 56.100 0.110 0.000 0.918 1405 R CB 2.336 32.673 30.300 0.062 0.000 1.175 1405 R HN 0.064 nan 8.270 nan 0.000 0.464 1406 Y N 1.999 122.339 120.300 0.065 0.000 2.504 1406 Y HA 0.570 5.120 4.550 0.000 0.000 0.344 1406 Y C -1.496 174.484 175.900 0.133 0.000 1.023 1406 Y CA -1.001 57.151 58.100 0.085 0.000 1.020 1406 Y CB 1.577 40.083 38.460 0.077 0.000 1.282 1406 Y HN 0.511 nan 8.280 nan 0.000 0.454 1407 I N 4.954 125.112 120.570 -0.686 0.000 2.586 1407 I HA 0.247 4.417 4.170 0.000 0.000 0.288 1407 I C -0.563 175.050 176.117 -0.840 0.000 1.147 1407 I CA -0.941 59.992 61.300 -0.612 0.000 1.047 1407 I CB 2.253 40.083 38.000 -0.282 0.000 1.244 1407 I HN 0.736 nan 8.210 nan 0.000 0.429 1408 S N 4.877 120.168 115.700 -0.682 0.000 2.563 1408 S HA 0.027 4.497 4.470 0.000 0.000 0.284 1408 S C 1.167 175.728 174.600 -0.065 0.000 1.331 1408 S CA -0.337 57.698 58.200 -0.275 0.000 1.047 1408 S CB 1.314 64.535 63.200 0.036 0.000 0.859 1408 S HN 0.857 nan 8.310 nan 0.000 0.514 1409 K N 1.434 121.860 120.400 0.044 0.000 2.089 1409 K HA -0.268 4.052 4.320 0.000 0.000 0.210 1409 K C 1.626 178.266 176.600 0.067 0.000 1.048 1409 K CA 1.807 58.126 56.287 0.053 0.000 0.926 1409 K CB -0.449 32.100 32.500 0.081 0.000 0.714 1409 K HN 0.795 nan 8.250 nan 0.000 0.448 1410 Y N 1.598 121.891 120.300 -0.011 0.000 2.014 1410 Y HA -0.327 4.223 4.550 0.000 0.000 0.272 1410 Y C 2.320 178.204 175.900 -0.027 0.000 1.164 1410 Y CA 2.570 60.664 58.100 -0.009 0.000 1.114 1410 Y CB -0.342 38.124 38.460 0.011 0.000 0.961 1410 Y HN 0.258 nan 8.280 nan 0.000 0.489 1411 E N -0.529 119.753 120.200 0.137 0.000 2.204 1411 E HA -0.149 4.201 4.350 0.000 0.000 0.194 1411 E C 1.895 178.472 176.600 -0.039 0.000 0.989 1411 E CA 0.795 57.218 56.400 0.037 0.000 0.824 1411 E CB -0.314 29.398 29.700 0.019 0.000 0.756 1411 E HN 0.378 nan 8.360 nan 0.000 0.477 1412 L N 1.042 122.237 121.223 -0.046 0.000 1.961 1412 L HA -0.171 4.169 4.340 0.000 0.000 0.210 1412 L C 1.062 177.897 176.870 -0.058 0.000 1.072 1412 L CA 2.096 56.905 54.840 -0.052 0.000 0.749 1412 L CB -0.640 41.393 42.059 -0.044 0.000 0.889 1412 L HN 0.234 nan 8.230 nan 0.000 0.432 1413 D N -1.775 118.578 120.400 -0.079 0.000 2.676 1413 D HA 0.004 4.645 4.640 0.000 0.000 0.239 1413 D C 1.206 177.429 176.300 -0.129 0.000 1.213 1413 D CA 0.094 54.038 54.000 -0.093 0.000 0.835 1413 D CB -0.169 40.577 40.800 -0.090 0.000 1.009 1413 D HN 0.244 nan 8.370 nan 0.000 0.479 1414 K N 0.639 120.968 120.400 -0.118 0.000 2.019 1414 K HA 0.391 4.712 4.320 0.000 0.000 0.209 1414 K C 0.654 177.202 176.600 -0.087 0.000 1.032 1414 K CA 0.899 57.111 56.287 -0.126 0.000 0.947 1414 K CB -0.064 32.375 32.500 -0.101 0.000 0.757 1414 K HN 0.278 nan 8.250 nan 0.000 0.444 1415 A N -0.714 122.081 122.820 -0.041 0.000 3.098 1415 A HA -0.155 4.165 4.320 0.000 0.000 0.651 1415 A C 0.428 178.039 177.584 0.045 0.000 0.652 1415 A CA -0.320 51.722 52.037 0.008 0.000 0.222 1415 A CB -1.752 17.221 19.000 -0.045 0.000 3.759 1415 A HN 0.151 nan 8.150 nan 0.000 0.530 1416 F N 0.884 120.689 119.950 -0.243 0.000 2.184 1416 F HA -0.160 4.367 4.527 0.000 0.000 0.301 1416 F C 2.836 178.293 175.800 -0.571 0.000 1.076 1416 F CA 2.331 60.058 58.000 -0.455 0.000 1.295 1416 F CB -0.901 37.886 39.000 -0.354 0.000 1.026 1416 F HN 0.898 nan 8.300 nan 0.000 0.494 1417 S N -0.459 115.160 115.700 -0.135 0.000 2.402 1417 S HA -0.279 4.191 4.470 0.000 0.000 0.281 1417 S C 0.757 175.233 174.600 -0.207 0.000 1.097 1417 S CA 2.287 60.396 58.200 -0.153 0.000 1.368 1417 S CB -0.337 62.798 63.200 -0.109 0.000 1.255 1417 S HN 0.413 nan 8.310 nan 0.000 0.450 1418 D N -0.384 119.917 120.400 -0.165 0.000 3.250 1418 D HA 0.202 4.843 4.640 0.000 0.000 0.252 1418 D C -0.833 175.426 176.300 -0.068 0.000 1.342 1418 D CA -0.134 53.800 54.000 -0.111 0.000 0.807 1418 D CB 0.291 41.049 40.800 -0.070 0.000 1.449 1418 D HN 0.290 nan 8.370 nan 0.000 0.610 1419 R N 1.920 122.380 120.500 -0.068 0.000 4.017 1419 R HA 0.099 4.439 4.340 0.000 0.000 0.272 1419 R C 0.927 177.262 176.300 0.058 0.000 1.516 1419 R CA -0.224 55.873 56.100 -0.005 0.000 1.519 1419 R CB -0.108 30.193 30.300 0.002 0.000 1.422 1419 R HN 0.092 nan 8.270 nan 0.000 0.719 1420 N N -0.627 118.110 118.700 0.062 0.000 2.463 1420 N HA -0.070 4.670 4.740 0.000 0.000 0.181 1420 N C -0.025 175.529 175.510 0.073 0.000 1.078 1420 N CA 0.288 53.395 53.050 0.095 0.000 0.902 1420 N CB 0.322 38.852 38.487 0.071 0.000 0.970 1420 N HN 0.235 nan 8.380 nan 0.000 0.451 1421 T N -1.930 112.652 114.554 0.047 0.000 2.893 1421 T HA 0.689 5.039 4.350 0.000 0.000 0.291 1421 T C -0.796 173.922 174.700 0.030 0.000 1.028 1421 T CA -0.950 61.173 62.100 0.038 0.000 0.995 1421 T CB 2.204 71.079 68.868 0.013 0.000 1.051 1421 T HN 0.076 nan 8.240 nan 0.000 0.470 1422 L N 1.566 122.798 121.223 0.015 0.000 2.513 1422 L HA 0.725 5.065 4.340 0.000 0.000 0.261 1422 L C -2.000 174.815 176.870 -0.091 0.000 0.945 1422 L CA -0.770 54.050 54.840 -0.033 0.000 0.848 1422 L CB 1.912 43.949 42.059 -0.038 0.000 1.334 1422 L HN 0.872 nan 8.230 nan 0.000 0.407 1423 I N 5.723 126.196 120.570 -0.162 0.000 2.410 1423 I HA 0.447 4.617 4.170 0.000 0.000 0.286 1423 I C -0.723 175.150 176.117 -0.406 0.000 1.009 1423 I CA -0.390 60.722 61.300 -0.314 0.000 1.111 1423 I CB 1.717 39.457 38.000 -0.433 0.000 1.262 1423 I HN 0.434 nan 8.210 nan 0.000 0.443 1424 I N 6.719 127.072 120.570 -0.362 0.000 2.306 1424 I HA 0.265 4.435 4.170 0.000 0.000 0.288 1424 I C -0.671 175.292 176.117 -0.257 0.000 1.036 1424 I CA -0.581 60.557 61.300 -0.269 0.000 1.221 1424 I CB 0.448 38.336 38.000 -0.186 0.000 1.385 1424 I HN 0.410 nan 8.210 nan 0.000 0.472 1425 Y N 6.383 126.673 120.300 -0.016 0.000 2.359 1425 Y HA 0.356 4.907 4.550 0.000 0.000 0.330 1425 Y C 0.166 176.094 175.900 0.046 0.000 1.143 1425 Y CA -0.265 57.858 58.100 0.039 0.000 1.318 1425 Y CB 0.730 39.287 38.460 0.163 0.000 1.234 1425 Y HN 0.367 nan 8.280 nan 0.000 0.522 1426 L N 3.676 124.998 121.223 0.166 0.000 2.319 1426 L HA 0.262 4.602 4.340 0.000 0.000 0.281 1426 L C 0.223 177.154 176.870 0.100 0.000 1.005 1426 L CA -0.594 54.313 54.840 0.112 0.000 0.828 1426 L CB 1.459 43.568 42.059 0.084 0.000 1.227 1426 L HN 0.680 nan 8.230 nan 0.000 0.415 1427 D N 2.346 122.792 120.400 0.078 0.000 2.265 1427 D HA -0.120 4.520 4.640 0.000 0.000 0.208 1427 D C 0.234 176.556 176.300 0.038 0.000 0.977 1427 D CA 1.384 55.405 54.000 0.036 0.000 0.871 1427 D CB 0.199 41.011 40.800 0.019 0.000 0.925 1427 D HN 0.568 nan 8.370 nan 0.000 0.485 1428 K N -2.518 117.916 120.400 0.057 0.000 2.736 1428 K HA 0.444 4.765 4.320 0.000 0.000 0.290 1428 K C -1.434 175.212 176.600 0.076 0.000 1.033 1428 K CA -1.069 55.251 56.287 0.054 0.000 0.852 1428 K CB 1.495 34.013 32.500 0.030 0.000 1.494 1428 K HN -0.162 nan 8.250 nan 0.000 0.378 1429 V N -1.960 118.001 119.914 0.078 0.000 2.876 1429 V HA 0.721 4.841 4.120 0.000 0.000 0.312 1429 V C -0.467 175.675 176.094 0.080 0.000 1.085 1429 V CA -0.546 61.818 62.300 0.106 0.000 0.945 1429 V CB 1.723 33.666 31.823 0.202 0.000 1.017 1429 V HN 0.875 nan 8.190 nan 0.000 0.428 1430 S N 0.720 116.469 115.700 0.082 0.000 2.632 1430 S HA 0.472 4.942 4.470 0.000 0.000 0.267 1430 S C 0.593 175.265 174.600 0.119 0.000 1.276 1430 S CA 0.524 58.768 58.200 0.074 0.000 0.998 1430 S CB 0.564 63.772 63.200 0.014 0.000 0.953 1430 S HN 1.349 nan 8.310 nan 0.000 0.547 1431 H N -0.229 118.869 119.070 0.048 0.000 3.046 1431 H HA 0.503 5.059 4.556 0.000 0.000 0.262 1431 H C 1.371 176.722 175.328 0.038 0.000 1.044 1431 H CA 0.394 56.483 56.048 0.069 0.000 1.209 1431 H CB -0.021 29.804 29.762 0.104 0.000 1.507 1431 H HN 0.320 nan 8.280 nan 0.000 0.507 1432 S N -0.218 115.177 115.700 -0.508 0.000 2.371 1432 S HA 0.065 4.535 4.470 0.000 0.000 0.219 1432 S C 0.233 174.750 174.600 -0.139 0.000 1.040 1432 S CA 0.877 58.861 58.200 -0.360 0.000 0.958 1432 S CB 0.152 63.124 63.200 -0.379 0.000 0.860 1432 S HN 0.673 nan 8.310 nan 0.000 0.487 1433 E N 0.681 120.821 120.200 -0.100 0.000 2.393 1433 E HA 0.528 4.879 4.350 0.000 0.000 0.265 1433 E C -1.794 174.799 176.600 -0.012 0.000 0.941 1433 E CA -1.018 55.356 56.400 -0.042 0.000 0.801 1433 E CB -0.042 29.637 29.700 -0.035 0.000 1.313 1433 E HN -0.202 nan 8.360 nan 0.000 0.435 1434 D N 0.564 120.967 120.400 0.005 0.000 2.389 1434 D HA 0.223 4.863 4.640 0.000 0.000 0.247 1434 D C -0.766 175.551 176.300 0.029 0.000 1.128 1434 D CA 0.056 54.071 54.000 0.025 0.000 0.884 1434 D CB 0.451 41.267 40.800 0.026 0.000 1.194 1434 D HN 0.247 nan 8.370 nan 0.000 0.441 1435 D N 1.350 121.778 120.400 0.047 0.000 2.396 1435 D HA 0.221 4.861 4.640 0.000 0.000 0.225 1435 D C -0.584 175.747 176.300 0.050 0.000 1.121 1435 D CA -0.219 53.809 54.000 0.048 0.000 0.853 1435 D CB 0.440 41.277 40.800 0.061 0.000 1.043 1435 D HN 0.183 nan 8.370 nan 0.000 0.500 1436 c N 3.371 121.995 118.600 0.039 0.000 2.382 1436 c HA 0.746 5.316 4.570 0.000 0.000 0.327 1436 c C 0.040 174.155 174.090 0.041 0.000 1.250 1436 c CA -0.839 55.513 56.329 0.037 0.000 1.707 1436 c CB -0.107 42.418 42.510 0.025 0.000 2.272 1436 c HN 0.543 nan 8.230 nan 0.000 0.506 1437 L N 1.331 122.585 121.223 0.051 0.000 2.257 1437 L HA 1.127 5.467 4.340 0.000 0.000 0.257 1437 L C -0.365 176.559 176.870 0.090 0.000 1.033 1437 L CA -0.819 54.063 54.840 0.070 0.000 0.835 1437 L CB 1.245 43.349 42.059 0.074 0.000 1.398 1437 L HN 0.825 nan 8.230 nan 0.000 0.429 1438 A N 0.615 123.520 122.820 0.141 0.000 2.565 1438 A HA 0.747 5.067 4.320 0.000 0.000 0.298 1438 A C -1.477 176.246 177.584 0.232 0.000 1.062 1438 A CA -0.358 51.752 52.037 0.122 0.000 0.723 1438 A CB 0.747 19.754 19.000 0.012 0.000 1.282 1438 A HN 1.357 nan 8.150 nan 0.000 0.400 1439 F N -0.385 119.534 119.950 -0.052 0.000 2.626 1439 F HA 0.817 5.344 4.527 0.000 0.000 0.311 1439 F C -0.519 175.252 175.800 -0.049 0.000 1.088 1439 F CA -1.349 56.631 58.000 -0.032 0.000 0.949 1439 F CB 1.217 40.208 39.000 -0.015 0.000 1.322 1439 F HN 0.431 nan 8.300 nan 0.000 0.461 1440 K N 2.025 122.433 120.400 0.012 0.000 2.249 1440 K HA 0.610 4.930 4.320 0.000 0.000 0.280 1440 K C -0.826 175.683 176.600 -0.152 0.000 1.033 1440 K CA -0.842 55.361 56.287 -0.141 0.000 0.946 1440 K CB 1.678 34.119 32.500 -0.099 0.000 1.005 1440 K HN 0.658 nan 8.250 nan 0.000 0.469 1441 V N 0.007 119.780 119.914 -0.235 0.000 2.495 1441 V HA 0.421 4.541 4.120 0.000 0.000 0.298 1441 V C -0.535 175.533 176.094 -0.043 0.000 1.031 1441 V CA -0.829 61.462 62.300 -0.015 0.000 0.871 1441 V CB 1.369 33.250 31.823 0.097 0.000 0.988 1441 V HN 0.687 nan 8.190 nan 0.000 0.432 1442 H N 3.200 122.352 119.070 0.136 0.000 2.469 1442 H HA 0.435 4.991 4.556 0.000 0.000 0.342 1442 H C -0.859 174.138 175.328 -0.553 0.000 1.115 1442 H CA -0.447 55.546 56.048 -0.093 0.000 1.204 1442 H CB 2.523 32.297 29.762 0.021 0.000 1.492 1442 H HN 0.822 nan 8.280 nan 0.000 0.499 1443 Q N 2.726 122.049 119.800 -0.794 0.000 2.337 1443 Q HA 0.071 4.411 4.340 0.000 0.000 0.255 1443 Q C -0.040 175.678 176.000 -0.470 0.000 0.997 1443 Q CA -0.428 54.699 55.803 -1.128 0.000 0.925 1443 Q CB 0.401 28.414 28.738 -1.208 0.000 1.212 1443 Q HN 0.721 nan 8.270 nan 0.000 0.436 1444 Y N 3.021 123.049 120.300 -0.454 0.000 2.476 1444 Y HA 0.303 4.853 4.550 0.000 0.000 0.283 1444 Y C -0.252 175.671 175.900 0.037 0.000 1.109 1444 Y CA -0.508 57.463 58.100 -0.214 0.000 1.246 1444 Y CB 0.470 38.682 38.460 -0.413 0.000 1.068 1444 Y HN 0.428 nan 8.280 nan 0.000 0.552 1445 F N 3.148 122.713 119.950 -0.642 0.000 2.610 1445 F HA 0.405 4.932 4.527 0.000 0.000 0.355 1445 F C -0.843 174.762 175.800 -0.325 0.000 1.140 1445 F CA -1.844 55.932 58.000 -0.374 0.000 1.037 1445 F CB 0.622 39.411 39.000 -0.351 0.000 1.287 1445 F HN -0.027 nan 8.300 nan 0.000 0.457 1446 N N 5.040 123.414 118.700 -0.543 0.000 2.430 1446 N HA 0.406 5.147 4.740 0.000 0.000 0.265 1446 N C -1.555 173.660 175.510 -0.492 0.000 1.100 1446 N CA 0.308 53.109 53.050 -0.414 0.000 0.961 1446 N CB 1.589 39.911 38.487 -0.275 0.000 1.075 1446 N HN 0.533 nan 8.380 nan 0.000 0.478 1447 V N 3.132 122.873 119.914 -0.288 0.000 2.971 1447 V HA 0.314 4.434 4.120 0.000 0.000 0.309 1447 V C -0.788 175.256 176.094 -0.084 0.000 1.130 1447 V CA -0.916 61.263 62.300 -0.202 0.000 0.964 1447 V CB 2.034 33.780 31.823 -0.128 0.000 1.029 1447 V HN 0.792 nan 8.190 nan 0.000 0.427 1448 E N 5.972 126.137 120.200 -0.059 0.000 2.373 1448 E HA 0.526 4.876 4.350 0.000 0.000 0.267 1448 E C -0.552 176.051 176.600 0.006 0.000 1.032 1448 E CA -0.423 55.961 56.400 -0.028 0.000 0.889 1448 E CB 0.892 30.572 29.700 -0.033 0.000 0.984 1448 E HN 0.761 nan 8.360 nan 0.000 0.425 1449 L N 1.876 123.110 121.223 0.018 0.000 3.052 1449 L HA -0.236 4.104 4.340 0.000 0.000 0.652 1449 L C -0.584 176.333 176.870 0.079 0.000 1.019 1449 L CA 0.122 54.988 54.840 0.044 0.000 1.317 1449 L CB -1.363 40.704 42.059 0.013 0.000 1.728 1449 L HN 0.744 nan 8.230 nan 0.000 0.839 1450 I N 0.451 121.093 120.570 0.120 0.000 2.428 1450 I HA 0.502 4.672 4.170 0.000 0.000 0.296 1450 I C 0.311 176.524 176.117 0.159 0.000 0.985 1450 I CA -0.117 61.243 61.300 0.100 0.000 1.260 1450 I CB 1.465 39.462 38.000 -0.005 0.000 1.389 1450 I HN 0.477 nan 8.210 nan 0.000 0.484 1451 Q N 6.539 126.409 119.800 0.117 0.000 2.295 1451 Q HA 0.432 4.773 4.340 0.000 0.000 0.259 1451 Q C -2.312 173.719 176.000 0.051 0.000 0.976 1451 Q CA -1.882 53.981 55.803 0.101 0.000 0.923 1451 Q CB 0.808 29.633 28.738 0.144 0.000 1.185 1451 Q HN 0.504 nan 8.270 nan 0.000 0.410 1452 P HA -0.078 nan 4.420 nan 0.000 0.263 1452 P C -0.298 176.870 177.300 -0.220 0.000 1.175 1452 P CA 0.315 63.407 63.100 -0.014 0.000 0.761 1452 P CB 0.536 32.235 31.700 -0.001 0.000 0.794 1453 G N 1.879 110.250 108.800 -0.716 0.000 2.634 1453 G HA2 0.505 4.465 3.960 0.000 0.000 0.255 1453 G HA3 0.505 4.465 3.960 0.000 0.000 0.255 1453 G C -0.921 173.629 174.900 -0.583 0.000 1.205 1453 G CA -0.071 44.394 45.100 -1.059 0.000 0.884 1453 G HN 0.635 nan 8.290 nan 0.000 0.549 1454 A N -0.353 122.343 122.820 -0.206 0.000 2.459 1454 A HA 0.633 4.954 4.320 0.000 0.000 0.296 1454 A C -1.073 176.512 177.584 0.002 0.000 1.039 1454 A CA -0.419 51.554 52.037 -0.107 0.000 0.698 1454 A CB 1.994 20.910 19.000 -0.141 0.000 1.261 1454 A HN 0.980 nan 8.150 nan 0.000 0.405 1455 V N 2.183 122.076 119.914 -0.035 0.000 2.555 1455 V HA 0.660 4.781 4.120 0.000 0.000 0.302 1455 V C -0.083 175.955 176.094 -0.094 0.000 1.038 1455 V CA -0.515 61.784 62.300 -0.001 0.000 0.887 1455 V CB 1.921 33.776 31.823 0.054 0.000 0.991 1455 V HN 0.904 nan 8.190 nan 0.000 0.434 1456 K N 4.083 124.454 120.400 -0.048 0.000 2.507 1456 K HA 0.724 5.044 4.320 0.000 0.000 0.251 1456 K C -1.169 175.445 176.600 0.023 0.000 0.943 1456 K CA -0.525 55.736 56.287 -0.044 0.000 0.794 1456 K CB 2.061 34.530 32.500 -0.052 0.000 1.188 1456 K HN 0.536 nan 8.250 nan 0.000 0.428 1457 V N 1.372 121.259 119.914 -0.045 0.000 2.966 1457 V HA 0.790 4.910 4.120 0.000 0.000 0.317 1457 V C -0.947 175.039 176.094 -0.179 0.000 1.070 1457 V CA -0.663 61.532 62.300 -0.175 0.000 1.008 1457 V CB 0.618 32.242 31.823 -0.331 0.000 1.070 1457 V HN 0.920 nan 8.190 nan 0.000 0.457 1458 Y N -0.849 119.071 120.300 -0.634 0.000 2.575 1458 Y HA 0.683 5.233 4.550 0.000 0.000 0.346 1458 Y C -0.514 175.228 175.900 -0.263 0.000 1.260 1458 Y CA -0.796 56.947 58.100 -0.596 0.000 1.317 1458 Y CB -0.065 38.196 38.460 -0.332 0.000 1.352 1458 Y HN 1.130 nan 8.280 nan 0.000 0.492 1459 A N 3.035 125.802 122.820 -0.088 0.000 2.407 1459 A HA 0.334 4.654 4.320 0.000 0.000 0.248 1459 A C 0.645 178.152 177.584 -0.128 0.000 1.082 1459 A CA 0.057 52.085 52.037 -0.015 0.000 0.785 1459 A CB -0.210 18.789 19.000 -0.002 0.000 1.020 1459 A HN 1.424 nan 8.150 nan 0.000 0.489 1460 Y N 0.926 121.204 120.300 -0.036 0.000 2.256 1460 Y HA -0.299 4.251 4.550 0.000 0.000 0.288 1460 Y C 1.599 177.571 175.900 0.119 0.000 1.155 1460 Y CA 1.881 60.011 58.100 0.049 0.000 1.203 1460 Y CB -0.924 37.594 38.460 0.097 0.000 0.980 1460 Y HN 0.742 nan 8.280 nan 0.000 0.530 1461 Y N 0.325 120.151 120.300 -0.791 0.000 2.457 1461 Y HA 0.216 4.766 4.550 0.000 0.000 0.292 1461 Y C -0.036 175.760 175.900 -0.174 0.000 1.125 1461 Y CA -0.032 57.693 58.100 -0.625 0.000 1.254 1461 Y CB -0.447 37.585 38.460 -0.712 0.000 1.012 1461 Y HN 0.181 nan 8.280 nan 0.000 0.555 1462 N N 0.348 118.770 118.700 -0.463 0.000 2.461 1462 N HA 0.251 4.991 4.740 0.000 0.000 0.284 1462 N C -0.165 175.280 175.510 -0.107 0.000 1.049 1462 N CA -0.452 52.461 53.050 -0.229 0.000 0.889 1462 N CB 1.482 39.800 38.487 -0.282 0.000 1.365 1462 N HN 0.161 nan 8.380 nan 0.000 0.499 1463 L N 3.527 124.706 121.223 -0.073 0.000 2.127 1463 L HA 0.263 4.603 4.340 0.000 0.000 0.203 1463 L C 1.572 178.353 176.870 -0.149 0.000 1.080 1463 L CA 1.812 56.562 54.840 -0.149 0.000 0.768 1463 L CB -0.228 41.748 42.059 -0.137 0.000 0.924 1463 L HN 0.632 nan 8.230 nan 0.000 0.444 1464 E N 0.552 120.705 120.200 -0.077 0.000 2.085 1464 E HA -0.233 4.117 4.350 0.000 0.000 0.194 1464 E C 0.919 177.497 176.600 -0.036 0.000 0.994 1464 E CA 1.380 57.751 56.400 -0.048 0.000 0.801 1464 E CB -0.356 29.336 29.700 -0.014 0.000 0.743 1464 E HN 0.682 nan 8.360 nan 0.000 0.453 1465 E N 1.514 121.703 120.200 -0.018 0.000 2.222 1465 E HA 0.087 4.437 4.350 0.000 0.000 0.312 1465 E C -0.694 175.914 176.600 0.013 0.000 1.263 1465 E CA -0.252 56.165 56.400 0.029 0.000 1.356 1465 E CB -0.108 29.638 29.700 0.077 0.000 1.180 1465 E HN 0.053 nan 8.360 nan 0.000 0.494 1466 S N 0.872 116.546 115.700 -0.042 0.000 2.677 1466 S HA 0.654 5.124 4.470 0.000 0.000 0.304 1466 S C -0.707 173.854 174.600 -0.066 0.000 1.108 1466 S CA -1.019 57.117 58.200 -0.107 0.000 0.944 1466 S CB 1.956 65.041 63.200 -0.192 0.000 1.127 1466 S HN 0.428 nan 8.310 nan 0.000 0.511 1467 c N 1.356 119.898 118.600 -0.097 0.000 2.535 1467 c HA 0.819 5.389 4.570 0.000 0.000 0.319 1467 c C -0.821 173.221 174.090 -0.081 0.000 1.171 1467 c CA 0.019 56.323 56.329 -0.041 0.000 1.394 1467 c CB 0.935 43.468 42.510 0.037 0.000 1.990 1467 c HN 0.991 nan 8.230 nan 0.000 0.466 1468 T N 4.981 119.474 114.554 -0.101 0.000 2.890 1468 T HA 0.496 4.846 4.350 0.000 0.000 0.295 1468 T C -0.536 173.976 174.700 -0.313 0.000 0.993 1468 T CA -0.448 61.517 62.100 -0.225 0.000 0.979 1468 T CB 0.968 69.669 68.868 -0.280 0.000 0.967 1468 T HN 0.594 nan 8.240 nan 0.000 0.441 1469 R N 1.565 121.885 120.500 -0.300 0.000 2.720 1469 R HA 0.834 5.175 4.340 0.000 0.000 0.272 1469 R C -1.096 174.968 176.300 -0.392 0.000 0.991 1469 R CA -0.806 55.162 56.100 -0.219 0.000 1.010 1469 R CB 0.737 31.026 30.300 -0.018 0.000 1.141 1469 R HN 0.472 nan 8.270 nan 0.000 0.494 1470 F N 1.014 121.010 119.950 0.076 0.000 2.575 1470 F HA 0.504 5.031 4.527 0.000 0.000 0.330 1470 F C -0.576 175.302 175.800 0.129 0.000 1.056 1470 F CA -0.738 57.292 58.000 0.050 0.000 0.964 1470 F CB 1.392 40.383 39.000 -0.015 0.000 1.258 1470 F HN 0.424 nan 8.300 nan 0.000 0.484 1471 Y N -0.335 120.077 120.300 0.188 0.000 2.396 1471 Y HA 0.628 5.178 4.550 0.000 0.000 0.332 1471 Y C -1.595 174.352 175.900 0.077 0.000 1.034 1471 Y CA -0.920 57.229 58.100 0.081 0.000 1.057 1471 Y CB 1.201 39.652 38.460 -0.014 0.000 1.220 1471 Y HN 0.730 nan 8.280 nan 0.000 0.440 1472 H N 5.196 124.292 119.070 0.043 0.000 2.865 1472 H HA 0.331 4.887 4.556 0.000 0.000 0.362 1472 H C -2.509 172.805 175.328 -0.023 0.000 1.114 1472 H CA -2.240 53.780 56.048 -0.047 0.000 1.208 1472 H CB 3.228 32.944 29.762 -0.077 0.000 1.727 1472 H HN 0.488 nan 8.280 nan 0.000 0.534 1473 P HA -0.174 nan 4.420 nan 0.000 0.216 1473 P C 0.413 177.732 177.300 0.032 0.000 1.157 1473 P CA 1.727 64.743 63.100 -0.139 0.000 0.880 1473 P CB 0.649 32.199 31.700 -0.251 0.000 0.791 1474 E N -0.979 119.360 120.200 0.231 0.000 2.101 1474 E HA 0.084 4.434 4.350 0.000 0.000 0.194 1474 E C 0.307 176.983 176.600 0.127 0.000 0.950 1474 E CA -0.188 56.317 56.400 0.175 0.000 0.917 1474 E CB -0.349 29.445 29.700 0.156 0.000 0.963 1474 E HN 0.076 nan 8.360 nan 0.000 0.476 1475 K N 2.362 122.806 120.400 0.073 0.000 2.477 1475 K HA -0.157 4.163 4.320 0.000 0.000 0.275 1475 K C 0.596 177.173 176.600 -0.038 0.000 1.054 1475 K CA 0.107 56.313 56.287 -0.134 0.000 1.135 1475 K CB 0.309 32.555 32.500 -0.423 0.000 0.854 1475 K HN 0.127 nan 8.250 nan 0.000 0.484 1476 E N 2.927 123.094 120.200 -0.056 0.000 2.517 1476 E HA -0.319 4.031 4.350 0.000 0.000 0.251 1476 E C 0.357 176.970 176.600 0.022 0.000 0.990 1476 E CA 2.623 59.009 56.400 -0.023 0.000 1.133 1476 E CB 0.006 29.683 29.700 -0.040 0.000 1.088 1476 E HN 0.833 nan 8.360 nan 0.000 0.516 1477 D N -2.751 117.668 120.400 0.031 0.000 2.992 1477 D HA 0.290 4.930 4.640 0.000 0.000 0.372 1477 D C 0.771 177.146 176.300 0.125 0.000 1.374 1477 D CA 0.452 54.509 54.000 0.096 0.000 0.769 1477 D CB 0.232 41.096 40.800 0.107 0.000 1.215 1477 D HN 0.559 nan 8.370 nan 0.000 0.473 1478 G N 0.588 109.422 108.800 0.057 0.000 2.253 1478 G HA2 -0.319 3.641 3.960 0.000 0.000 0.251 1478 G HA3 -0.319 3.641 3.960 0.000 0.000 0.251 1478 G C 0.275 175.039 174.900 -0.228 0.000 0.998 1478 G CA -0.084 45.010 45.100 -0.010 0.000 0.621 1478 G HN 0.406 nan 8.290 nan 0.000 0.524 1479 K N 1.393 121.676 120.400 -0.195 0.000 2.412 1479 K HA 0.546 4.866 4.320 0.000 0.000 0.284 1479 K C 1.119 177.588 176.600 -0.218 0.000 1.046 1479 K CA -0.063 56.082 56.287 -0.236 0.000 0.999 1479 K CB 0.293 32.714 32.500 -0.133 0.000 0.941 1479 K HN 0.397 nan 8.250 nan 0.000 0.474 1480 L N 3.059 124.147 121.223 -0.225 0.000 2.467 1480 L HA 0.082 4.422 4.340 0.000 0.000 0.270 1480 L C 0.361 177.154 176.870 -0.129 0.000 1.205 1480 L CA -0.463 54.264 54.840 -0.189 0.000 0.828 1480 L CB 0.263 42.225 42.059 -0.162 0.000 1.101 1480 L HN 0.597 nan 8.230 nan 0.000 0.479 1481 N N 2.831 121.456 118.700 -0.125 0.000 2.483 1481 N HA 0.215 4.955 4.740 0.000 0.000 0.264 1481 N C -0.857 174.678 175.510 0.042 0.000 1.197 1481 N CA 0.065 53.067 53.050 -0.080 0.000 0.927 1481 N CB 0.397 38.806 38.487 -0.130 0.000 1.065 1481 N HN 0.443 nan 8.380 nan 0.000 0.461 1482 K N 0.048 120.557 120.400 0.183 0.000 2.570 1482 K HA 0.393 4.714 4.320 0.000 0.000 0.256 1482 K C -1.763 174.957 176.600 0.199 0.000 0.939 1482 K CA -0.926 55.458 56.287 0.162 0.000 0.833 1482 K CB 1.053 33.589 32.500 0.059 0.000 1.318 1482 K HN 0.194 nan 8.250 nan 0.000 0.433 1483 L N 2.637 123.745 121.223 -0.190 0.000 2.275 1483 L HA 0.535 4.876 4.340 0.000 0.000 0.288 1483 L C -1.359 175.302 176.870 -0.348 0.000 1.046 1483 L CA 0.093 54.504 54.840 -0.715 0.000 0.805 1483 L CB 1.119 42.339 42.059 -1.397 0.000 1.193 1483 L HN 0.918 nan 8.230 nan 0.000 0.426 1484 c N 4.709 123.261 118.600 -0.079 0.000 2.563 1484 c HA 0.700 5.270 4.570 0.000 0.000 0.314 1484 c C -0.223 174.099 174.090 0.386 0.000 1.199 1484 c CA -0.895 55.568 56.329 0.222 0.000 1.564 1484 c CB 1.779 44.362 42.510 0.121 0.000 2.173 1484 c HN 0.867 nan 8.230 nan 0.000 0.485 1485 R N 2.047 122.772 120.500 0.374 0.000 2.502 1485 R HA 0.416 4.756 4.340 0.000 0.000 0.298 1485 R C -0.361 175.945 176.300 0.009 0.000 1.018 1485 R CA -0.088 56.090 56.100 0.130 0.000 0.899 1485 R CB 0.654 30.897 30.300 -0.095 0.000 1.181 1485 R HN 0.986 nan 8.270 nan 0.000 0.444 1486 D N 2.223 122.632 120.400 0.014 0.000 4.566 1486 D HA -0.265 4.375 4.640 0.000 0.000 0.168 1486 D C 0.059 176.365 176.300 0.011 0.000 0.658 1486 D CA 2.197 56.195 54.000 -0.003 0.000 1.285 1486 D CB -0.296 40.482 40.800 -0.038 0.000 0.770 1486 D HN 0.793 nan 8.370 nan 0.000 0.517 1487 E N -0.389 119.810 120.200 -0.002 0.000 2.715 1487 E HA 0.221 4.571 4.350 0.000 0.000 0.224 1487 E C -0.193 176.413 176.600 0.010 0.000 0.962 1487 E CA -0.237 56.166 56.400 0.005 0.000 1.145 1487 E CB 1.160 30.856 29.700 -0.007 0.000 1.083 1487 E HN 0.153 nan 8.360 nan 0.000 0.506 1488 L N 1.223 122.455 121.223 0.014 0.000 2.289 1488 L HA 0.391 4.731 4.340 0.000 0.000 0.285 1488 L C -1.012 175.950 176.870 0.154 0.000 1.049 1488 L CA -0.186 54.678 54.840 0.039 0.000 0.804 1488 L CB 0.997 43.038 42.059 -0.031 0.000 1.195 1488 L HN -0.047 nan 8.230 nan 0.000 0.428 1489 c N 4.385 123.070 118.600 0.141 0.000 2.898 1489 c HA 0.834 5.404 4.570 0.000 0.000 0.304 1489 c C -0.680 173.481 174.090 0.118 0.000 1.237 1489 c CA -0.928 55.494 56.329 0.155 0.000 1.529 1489 c CB 2.119 44.675 42.510 0.078 0.000 2.021 1489 c HN 0.938 nan 8.230 nan 0.000 0.474 1490 R N 0.804 121.345 120.500 0.068 0.000 2.621 1490 R HA 0.688 5.028 4.340 0.000 0.000 0.284 1490 R C -0.896 175.402 176.300 -0.004 0.000 0.998 1490 R CA -0.295 55.826 56.100 0.035 0.000 0.895 1490 R CB 0.668 31.001 30.300 0.056 0.000 1.195 1490 R HN 0.701 nan 8.270 nan 0.000 0.450 1491 c N 2.054 120.667 118.600 0.020 0.000 2.657 1491 c HA 0.465 5.035 4.570 0.000 0.000 0.420 1491 c C 1.278 175.377 174.090 0.016 0.000 1.323 1491 c CA 0.657 57.000 56.329 0.023 0.000 1.894 1491 c CB -0.036 42.500 42.510 0.044 0.000 2.681 1491 c HN 0.935 nan 8.230 nan 0.000 0.613 1492 A N 3.795 126.627 122.820 0.021 0.000 2.603 1492 A HA 0.293 4.613 4.320 0.000 0.000 0.277 1492 A C 0.443 178.024 177.584 -0.006 0.000 1.158 1492 A CA 0.020 52.076 52.037 0.032 0.000 0.962 1492 A CB -0.031 19.043 19.000 0.124 0.000 1.189 1492 A HN 0.845 nan 8.150 nan 0.000 0.552 1493 E N 2.308 122.491 120.200 -0.028 0.000 1.814 1493 E HA 0.233 4.583 4.350 0.000 0.000 0.264 1493 E C -0.077 176.487 176.600 -0.060 0.000 1.179 1493 E CA 0.290 56.654 56.400 -0.060 0.000 0.972 1493 E CB -0.198 29.457 29.700 -0.075 0.000 1.077 1493 E HN 0.866 nan 8.360 nan 0.000 0.417 1494 E N 1.050 121.212 120.200 -0.063 0.000 2.377 1494 E HA 0.283 4.634 4.350 0.000 0.000 0.266 1494 E C -0.743 175.801 176.600 -0.093 0.000 1.111 1494 E CA -0.997 55.360 56.400 -0.071 0.000 0.889 1494 E CB 0.300 29.969 29.700 -0.051 0.000 1.644 1494 E HN -0.109 nan 8.360 nan 0.000 0.464 1495 N N -0.044 118.590 118.700 -0.110 0.000 2.458 1495 N HA 0.060 4.800 4.740 0.000 0.000 0.258 1495 N C 0.540 175.942 175.510 -0.180 0.000 1.219 1495 N CA -0.075 52.866 53.050 -0.181 0.000 0.902 1495 N CB 0.456 38.831 38.487 -0.187 0.000 1.076 1495 N HN 0.499 nan 8.380 nan 0.000 0.455 1496 c N 1.142 119.565 118.600 -0.295 0.000 2.435 1496 c HA 0.041 4.611 4.570 0.000 0.000 0.279 1496 c C 0.757 174.846 174.090 -0.002 0.000 1.321 1496 c CA 0.446 56.681 56.329 -0.157 0.000 1.752 1496 c CB -1.456 40.965 42.510 -0.148 0.000 1.959 1496 c HN 0.771 nan 8.230 nan 0.000 0.500 1497 F N -3.452 116.443 119.950 -0.091 0.000 2.923 1497 F HA 0.576 5.103 4.527 0.000 0.000 0.323 1497 F C 0.647 176.391 175.800 -0.094 0.000 1.189 1497 F CA -1.243 56.688 58.000 -0.115 0.000 0.930 1497 F CB -0.157 38.713 39.000 -0.216 0.000 1.414 1497 F HN -0.248 nan 8.300 nan 0.000 0.496 1498 I N 0.193 120.854 120.570 0.151 0.000 2.045 1498 I HA -0.195 3.975 4.170 0.000 0.000 0.233 1498 I C 1.146 177.287 176.117 0.041 0.000 1.048 1498 I CA 2.318 63.684 61.300 0.111 0.000 1.313 1498 I CB -0.425 37.727 38.000 0.253 0.000 1.043 1498 I HN 0.820 nan 8.210 nan 0.000 0.393 1499 Q N -0.469 119.369 119.800 0.064 0.000 2.634 1499 Q HA 0.484 4.825 4.340 0.000 0.000 0.417 1499 Q C -0.783 175.237 176.000 0.033 0.000 0.592 1499 Q CA -0.905 54.911 55.803 0.021 0.000 0.952 1499 Q CB 1.388 30.162 28.738 0.060 0.000 1.171 1499 Q HN 0.010 nan 8.270 nan 0.000 0.369 1504 K N 0.508 120.925 120.400 0.029 0.000 2.603 1504 K HA 0.126 4.446 4.320 0.000 0.000 0.216 1504 K C 0.290 176.908 176.600 0.029 0.000 1.562 1504 K CA 0.671 56.971 56.287 0.021 0.000 1.012 1504 K CB 0.061 32.569 32.500 0.013 0.000 1.280 1504 K HN 0.188 nan 8.250 nan 0.000 0.620 1505 V N 2.211 122.158 119.914 0.056 0.000 5.791 1505 V HA -0.213 3.907 4.120 0.000 0.000 0.239 1505 V C 0.146 176.257 176.094 0.028 0.000 0.714 1505 V CA 1.138 63.487 62.300 0.081 0.000 0.851 1505 V CB -2.876 29.038 31.823 0.152 0.000 0.957 1505 V HN 0.631 nan 8.190 nan 0.000 0.419 1506 T N 1.549 116.104 114.554 0.002 0.000 2.888 1506 T HA 0.691 5.041 4.350 0.000 0.000 0.283 1506 T C 1.047 175.718 174.700 -0.048 0.000 1.013 1506 T CA -0.128 61.961 62.100 -0.019 0.000 0.938 1506 T CB 2.007 70.867 68.868 -0.014 0.000 1.298 1506 T HN 0.564 nan 8.240 nan 0.000 0.580 1507 L N 0.096 121.298 121.223 -0.034 0.000 2.056 1507 L HA -0.035 4.305 4.340 0.000 0.000 0.207 1507 L C 2.625 179.485 176.870 -0.017 0.000 1.078 1507 L CA 1.634 56.462 54.840 -0.019 0.000 0.749 1507 L CB -0.443 41.626 42.059 0.018 0.000 0.901 1507 L HN 0.714 nan 8.230 nan 0.000 0.433 1508 E N -0.055 120.131 120.200 -0.024 0.000 2.150 1508 E HA -0.193 4.157 4.350 0.000 0.000 0.193 1508 E C 1.920 178.486 176.600 -0.057 0.000 0.985 1508 E CA 0.913 57.293 56.400 -0.033 0.000 0.814 1508 E CB -0.053 29.629 29.700 -0.030 0.000 0.752 1508 E HN 0.410 nan 8.360 nan 0.000 0.466 1509 E N 0.206 120.366 120.200 -0.067 0.000 2.478 1509 E HA -0.055 4.295 4.350 0.000 0.000 0.198 1509 E C 1.562 178.053 176.600 -0.181 0.000 1.046 1509 E CA 0.425 56.773 56.400 -0.088 0.000 0.870 1509 E CB 0.114 29.787 29.700 -0.044 0.000 0.818 1509 E HN 0.276 nan 8.360 nan 0.000 0.527 1510 R N -0.279 120.091 120.500 -0.216 0.000 2.167 1510 R HA 0.225 4.566 4.340 0.000 0.000 0.201 1510 R C 2.408 178.561 176.300 -0.246 0.000 1.024 1510 R CA 0.032 55.893 56.100 -0.398 0.000 1.053 1510 R CB 0.099 29.991 30.300 -0.681 0.000 0.987 1510 R HN 0.080 nan 8.270 nan 0.000 0.493 1511 L N 0.839 122.065 121.223 0.004 0.000 2.217 1511 L HA -0.127 4.213 4.340 0.000 0.000 0.211 1511 L C 1.369 178.177 176.870 -0.104 0.000 1.107 1511 L CA 0.998 55.875 54.840 0.060 0.000 0.783 1511 L CB -0.184 41.897 42.059 0.037 0.000 0.919 1511 L HN 0.116 nan 8.230 nan 0.000 0.442 1512 D N 0.098 120.424 120.400 -0.124 0.000 2.137 1512 D HA -0.113 4.527 4.640 0.000 0.000 0.202 1512 D C 2.081 178.279 176.300 -0.170 0.000 0.970 1512 D CA 1.099 55.024 54.000 -0.126 0.000 0.837 1512 D CB 0.142 40.889 40.800 -0.088 0.000 0.981 1512 D HN 0.189 nan 8.370 nan 0.000 0.475 1513 K N 0.075 120.340 120.400 -0.224 0.000 2.365 1513 K HA 0.176 4.496 4.320 0.000 0.000 0.197 1513 K C 1.409 177.714 176.600 -0.491 0.000 1.042 1513 K CA 0.405 56.562 56.287 -0.217 0.000 0.987 1513 K CB 0.469 32.903 32.500 -0.111 0.000 0.779 1513 K HN -0.046 nan 8.250 nan 0.000 0.484 1514 A N -0.423 121.905 122.820 -0.820 0.000 2.387 1514 A HA 0.075 4.395 4.320 0.000 0.000 0.234 1514 A C 1.124 178.344 177.584 -0.606 0.000 1.253 1514 A CA 0.010 51.288 52.037 -1.265 0.000 0.894 1514 A CB 0.009 18.076 19.000 -1.557 0.000 0.963 1514 A HN 0.285 nan 8.150 nan 0.000 0.508 1515 c N 0.455 118.832 118.600 -0.372 0.000 3.386 1515 c HA 0.258 4.828 4.570 0.000 0.000 0.279 1515 c C 0.441 174.437 174.090 -0.157 0.000 1.508 1515 c CA -0.669 55.524 56.329 -0.226 0.000 1.801 1515 c CB -1.168 41.239 42.510 -0.170 0.000 2.798 1515 c HN 0.586 nan 8.230 nan 0.000 0.605 1516 E N 2.181 122.285 120.200 -0.161 0.000 2.413 1516 E HA 0.042 4.392 4.350 0.000 0.000 0.263 1516 E C -1.484 175.076 176.600 -0.067 0.000 1.015 1516 E CA -0.756 55.589 56.400 -0.091 0.000 0.916 1516 E CB 0.586 30.246 29.700 -0.067 0.000 0.947 1516 E HN 0.162 nan 8.360 nan 0.000 0.440 1517 P HA -0.257 nan 4.420 nan 0.000 0.218 1517 P C 1.235 178.533 177.300 -0.003 0.000 1.152 1517 P CA 1.642 64.731 63.100 -0.017 0.000 0.857 1517 P CB 0.097 31.795 31.700 -0.004 0.000 0.787 1518 G N -0.626 108.176 108.800 0.003 0.000 2.404 1518 G HA2 -0.136 3.824 3.960 0.000 0.000 0.215 1518 G HA3 -0.136 3.824 3.960 0.000 0.000 0.215 1518 G C 0.353 175.267 174.900 0.023 0.000 1.174 1518 G CA 0.095 45.212 45.100 0.028 0.000 0.780 1518 G HN 0.180 nan 8.290 nan 0.000 0.537 1519 V N 1.670 121.568 119.914 -0.028 0.000 2.625 1519 V HA 0.004 4.124 4.120 0.000 0.000 0.305 1519 V C 1.173 177.245 176.094 -0.038 0.000 1.055 1519 V CA 1.274 63.528 62.300 -0.077 0.000 1.209 1519 V CB 1.108 32.791 31.823 -0.233 0.000 0.877 1519 V HN 0.464 nan 8.190 nan 0.000 0.489 1520 D N 3.133 123.539 120.400 0.010 0.000 2.840 1520 D HA 0.111 4.751 4.640 0.000 0.000 0.277 1520 D C 0.296 176.690 176.300 0.158 0.000 1.066 1520 D CA 0.370 54.456 54.000 0.144 0.000 0.979 1520 D CB 0.336 41.337 40.800 0.335 0.000 1.157 1520 D HN 0.625 nan 8.370 nan 0.000 0.466 1521 Y N -0.650 119.698 120.300 0.080 0.000 2.487 1521 Y HA 0.703 5.253 4.550 0.000 0.000 0.337 1521 Y C -1.090 174.704 175.900 -0.177 0.000 1.076 1521 Y CA -1.365 56.680 58.100 -0.092 0.000 1.115 1521 Y CB 1.576 39.982 38.460 -0.090 0.000 1.235 1521 Y HN -0.251 nan 8.280 nan 0.000 0.468 1522 V N 3.750 123.507 119.914 -0.263 0.000 2.610 1522 V HA 0.343 4.463 4.120 0.000 0.000 0.298 1522 V C -1.556 174.503 176.094 -0.058 0.000 1.067 1522 V CA -0.937 61.332 62.300 -0.051 0.000 0.894 1522 V CB 0.725 32.623 31.823 0.125 0.000 1.015 1522 V HN 0.748 nan 8.190 nan 0.000 0.432 1523 Y N 1.810 122.360 120.300 0.418 0.000 2.499 1523 Y HA 0.570 5.120 4.550 0.000 0.000 0.347 1523 Y C 0.119 176.207 175.900 0.313 0.000 0.987 1523 Y CA -1.539 56.751 58.100 0.317 0.000 1.044 1523 Y CB 1.970 40.591 38.460 0.269 0.000 1.245 1523 Y HN 0.548 nan 8.280 nan 0.000 0.461 1524 K N 2.725 123.367 120.400 0.404 0.000 2.266 1524 K HA 0.408 4.728 4.320 0.000 0.000 0.274 1524 K C -0.686 176.011 176.600 0.161 0.000 1.090 1524 K CA -0.216 56.219 56.287 0.246 0.000 0.925 1524 K CB 0.204 32.667 32.500 -0.061 0.000 1.225 1524 K HN 0.890 nan 8.250 nan 0.000 0.458 1525 T N 1.025 115.699 114.554 0.199 0.000 2.948 1525 T HA 0.466 4.816 4.350 0.000 0.000 0.285 1525 T C -0.376 174.403 174.700 0.131 0.000 1.019 1525 T CA -1.037 61.150 62.100 0.146 0.000 1.013 1525 T CB 1.720 70.658 68.868 0.116 0.000 1.117 1525 T HN 0.586 nan 8.240 nan 0.000 0.533 1526 R N 0.563 121.096 120.500 0.054 0.000 2.621 1526 R HA 0.536 4.876 4.340 0.000 0.000 0.292 1526 R C -1.544 174.733 176.300 -0.039 0.000 0.969 1526 R CA -1.023 55.008 56.100 -0.115 0.000 0.887 1526 R CB 1.397 31.582 30.300 -0.192 0.000 1.180 1526 R HN 0.555 nan 8.270 nan 0.000 0.450 1527 L N 6.254 127.456 121.223 -0.035 0.000 2.295 1527 L HA 0.175 4.515 4.340 0.000 0.000 0.288 1527 L C 0.159 177.045 176.870 0.027 0.000 1.079 1527 L CA 0.439 55.314 54.840 0.058 0.000 0.830 1527 L CB 1.248 43.394 42.059 0.144 0.000 1.200 1527 L HN 0.640 nan 8.230 nan 0.000 0.438 1528 V N 3.782 123.724 119.914 0.046 0.000 2.426 1528 V HA 0.118 4.238 4.120 0.000 0.000 0.242 1528 V C 0.925 177.048 176.094 0.049 0.000 1.036 1528 V CA 0.786 63.106 62.300 0.033 0.000 1.044 1528 V CB -0.430 31.413 31.823 0.034 0.000 0.688 1528 V HN 0.739 nan 8.190 nan 0.000 0.462 1529 K N 0.043 120.487 120.400 0.074 0.000 2.468 1529 K HA 0.591 4.911 4.320 0.000 0.000 0.252 1529 K C -1.965 174.688 176.600 0.089 0.000 0.932 1529 K CA -0.411 55.916 56.287 0.066 0.000 0.794 1529 K CB 2.676 35.204 32.500 0.047 0.000 1.241 1529 K HN -0.001 nan 8.250 nan 0.000 0.428 1530 V N 4.175 124.131 119.914 0.071 0.000 2.409 1530 V HA 0.314 4.434 4.120 0.000 0.000 0.291 1530 V C -0.838 175.236 176.094 -0.033 0.000 1.020 1530 V CA -0.735 61.591 62.300 0.043 0.000 0.848 1530 V CB 1.511 33.413 31.823 0.132 0.000 0.990 1530 V HN 0.753 nan 8.190 nan 0.000 0.430 1531 Q N 4.467 124.200 119.800 -0.112 0.000 2.348 1531 Q HA 0.569 4.909 4.340 0.000 0.000 0.265 1531 Q C -1.314 174.618 176.000 -0.114 0.000 0.998 1531 Q CA -0.793 54.960 55.803 -0.084 0.000 0.831 1531 Q CB 2.132 30.836 28.738 -0.057 0.000 1.251 1531 Q HN 0.494 nan 8.270 nan 0.000 0.456 1532 L N 1.738 122.920 121.223 -0.067 0.000 2.375 1532 L HA 0.502 4.842 4.340 0.000 0.000 0.271 1532 L C 0.528 177.375 176.870 -0.039 0.000 1.107 1532 L CA 0.351 55.155 54.840 -0.059 0.000 0.806 1532 L CB 1.321 43.361 42.059 -0.033 0.000 1.146 1532 L HN 0.788 nan 8.230 nan 0.000 0.447 1533 S N 0.542 116.219 115.700 -0.037 0.000 3.121 1533 S HA 0.483 4.953 4.470 0.000 0.000 0.324 1533 S C 0.247 174.829 174.600 -0.030 0.000 1.192 1533 S CA -0.637 57.551 58.200 -0.020 0.000 0.937 1533 S CB 0.835 64.037 63.200 0.003 0.000 1.336 1533 S HN 0.390 nan 8.310 nan 0.000 0.664 1534 N N 1.389 120.075 118.700 -0.023 0.000 2.325 1534 N HA 0.201 4.941 4.740 0.000 0.000 0.182 1534 N C 0.169 175.629 175.510 -0.083 0.000 1.088 1534 N CA 1.156 54.182 53.050 -0.039 0.000 0.879 1534 N CB 0.004 38.481 38.487 -0.016 0.000 0.983 1534 N HN 0.722 nan 8.380 nan 0.000 0.471 1535 D N -1.616 118.724 120.400 -0.099 0.000 2.618 1535 D HA 0.070 4.711 4.640 0.000 0.000 0.278 1535 D C -0.451 175.526 176.300 -0.538 0.000 1.203 1535 D CA 0.115 53.951 54.000 -0.273 0.000 1.073 1535 D CB 0.100 40.839 40.800 -0.101 0.000 1.632 1535 D HN -0.045 nan 8.370 nan 0.000 0.473 1536 F N 1.917 121.831 119.950 -0.060 0.000 2.536 1536 F HA 0.385 4.912 4.527 0.000 0.000 0.322 1536 F C -0.361 175.380 175.800 -0.098 0.000 1.144 1536 F CA -1.069 56.886 58.000 -0.074 0.000 0.924 1536 F CB 1.830 40.777 39.000 -0.088 0.000 1.181 1536 F HN -0.318 nan 8.300 nan 0.000 0.438 1537 D N 2.566 122.978 120.400 0.020 0.000 2.339 1537 D HA 0.232 4.872 4.640 0.000 0.000 0.245 1537 D C -0.485 175.656 176.300 -0.264 0.000 1.115 1537 D CA -0.082 53.800 54.000 -0.195 0.000 0.917 1537 D CB 1.103 41.704 40.800 -0.332 0.000 1.192 1537 D HN 0.556 nan 8.370 nan 0.000 0.428 1538 E N 0.853 120.815 120.200 -0.397 0.000 2.220 1538 E HA 0.185 4.536 4.350 0.000 0.000 0.256 1538 E C -0.964 175.457 176.600 -0.299 0.000 0.881 1538 E CA -0.618 55.643 56.400 -0.232 0.000 0.766 1538 E CB 1.035 30.695 29.700 -0.065 0.000 1.187 1538 E HN 0.312 nan 8.360 nan 0.000 0.419 1539 Y N 2.691 123.073 120.300 0.137 0.000 2.700 1539 Y HA 0.290 4.840 4.550 0.000 0.000 0.333 1539 Y C 0.475 176.482 175.900 0.178 0.000 1.036 1539 Y CA -0.742 57.431 58.100 0.121 0.000 1.287 1539 Y CB 0.117 38.619 38.460 0.070 0.000 1.132 1539 Y HN 0.444 nan 8.280 nan 0.000 0.510 1540 I N 4.807 125.511 120.570 0.222 0.000 2.472 1540 I HA 0.002 4.172 4.170 0.000 0.000 0.305 1540 I C -0.233 175.998 176.117 0.190 0.000 1.196 1540 I CA 0.310 61.723 61.300 0.188 0.000 1.613 1540 I CB -0.307 37.759 38.000 0.110 0.000 1.501 1540 I HN 0.426 nan 8.210 nan 0.000 0.754 1541 M N 4.501 124.261 119.600 0.266 0.000 2.162 1541 M HA 0.328 4.808 4.480 0.000 0.000 0.356 1541 M C 0.357 176.739 176.300 0.137 0.000 1.303 1541 M CA -0.186 55.228 55.300 0.190 0.000 1.116 1541 M CB 0.993 33.699 32.600 0.177 0.000 1.632 1541 M HN 0.473 nan 8.290 nan 0.000 0.469 1542 A N 5.918 128.783 122.820 0.076 0.000 2.310 1542 A HA 0.541 4.861 4.320 0.000 0.000 0.300 1542 A C 0.206 177.806 177.584 0.027 0.000 1.269 1542 A CA -0.581 51.482 52.037 0.042 0.000 0.909 1542 A CB -0.184 18.833 19.000 0.029 0.000 1.144 1542 A HN 0.880 nan 8.150 nan 0.000 0.540 1543 I N 2.770 123.332 120.570 -0.014 0.000 2.587 1543 I HA 0.000 4.171 4.170 0.000 0.000 0.284 1543 I C 1.000 177.118 176.117 0.000 0.000 1.134 1543 I CA 0.406 61.680 61.300 -0.044 0.000 1.410 1543 I CB 0.626 38.490 38.000 -0.226 0.000 1.392 1543 I HN 0.819 nan 8.210 nan 0.000 0.545 1544 E N 5.108 125.327 120.200 0.033 0.000 2.415 1544 E HA 0.011 4.361 4.350 0.000 0.000 0.197 1544 E C -0.084 176.525 176.600 0.015 0.000 1.007 1544 E CA 0.173 56.582 56.400 0.014 0.000 0.890 1544 E CB 0.509 30.205 29.700 -0.005 0.000 0.891 1544 E HN 0.708 nan 8.360 nan 0.000 0.496 1545 Q N -0.024 119.818 119.800 0.070 0.000 2.468 1545 Q HA 0.173 4.513 4.340 0.000 0.000 0.263 1545 Q C -1.094 175.052 176.000 0.243 0.000 0.979 1545 Q CA -0.707 55.161 55.803 0.109 0.000 0.932 1545 Q CB 0.920 29.695 28.738 0.061 0.000 1.462 1545 Q HN -0.068 nan 8.270 nan 0.000 0.403 1546 T N 1.193 115.895 114.554 0.248 0.000 3.005 1546 T HA 0.385 4.735 4.350 0.000 0.000 0.323 1546 T C 1.049 175.892 174.700 0.239 0.000 1.131 1546 T CA -0.567 61.760 62.100 0.378 0.000 0.977 1546 T CB -0.299 68.773 68.868 0.340 0.000 1.055 1546 T HN 0.654 nan 8.240 nan 0.000 0.562 1547 I N 0.909 121.612 120.570 0.221 0.000 2.113 1547 I HA -0.014 4.157 4.170 0.000 0.000 0.238 1547 I C 1.612 177.766 176.117 0.061 0.000 1.070 1547 I CA 1.150 62.518 61.300 0.114 0.000 1.332 1547 I CB -0.030 38.035 38.000 0.108 0.000 1.044 1547 I HN 0.463 nan 8.210 nan 0.000 0.402 1548 K N 1.499 121.936 120.400 0.061 0.000 2.572 1548 K HA 0.298 4.618 4.320 0.000 0.000 0.244 1548 K C -0.788 175.876 176.600 0.107 0.000 0.965 1548 K CA -0.224 56.089 56.287 0.044 0.000 0.943 1548 K CB 1.266 33.754 32.500 -0.020 0.000 1.154 1548 K HN -0.017 nan 8.250 nan 0.000 0.447 1549 S N 1.179 116.971 115.700 0.154 0.000 2.568 1549 S HA 0.249 4.720 4.470 0.000 0.000 0.282 1549 S C 0.560 175.284 174.600 0.207 0.000 1.338 1549 S CA -0.209 58.127 58.200 0.226 0.000 1.045 1549 S CB 1.342 64.655 63.200 0.189 0.000 0.873 1549 S HN 0.792 nan 8.310 nan 0.000 0.516 1550 G N 0.916 109.887 108.800 0.284 0.000 3.286 1550 G HA2 0.353 4.313 3.960 0.000 0.000 0.166 1550 G HA3 0.353 4.313 3.960 0.000 0.000 0.166 1550 G C 0.971 176.000 174.900 0.214 0.000 1.155 1550 G CA 0.064 45.329 45.100 0.275 0.000 0.871 1550 G HN 0.685 nan 8.290 nan 0.000 0.637 1551 S N -0.749 115.078 115.700 0.213 0.000 2.461 1551 S HA 0.019 4.489 4.470 0.000 0.000 0.228 1551 S C 0.569 175.154 174.600 -0.024 0.000 1.005 1551 S CA 0.891 59.122 58.200 0.052 0.000 0.942 1551 S CB -0.014 63.167 63.200 -0.032 0.000 0.776 1551 S HN 0.355 nan 8.310 nan 0.000 0.514 1552 D N 2.823 123.271 120.400 0.079 0.000 2.336 1552 D HA 0.130 4.770 4.640 0.000 0.000 0.249 1552 D C -0.296 176.083 176.300 0.132 0.000 1.213 1552 D CA -0.142 53.897 54.000 0.066 0.000 0.870 1552 D CB 0.501 41.461 40.800 0.267 0.000 1.076 1552 D HN 0.138 nan 8.370 nan 0.000 0.483 1553 E N 3.129 123.361 120.200 0.053 0.000 2.222 1553 E HA 0.049 4.399 4.350 0.000 0.000 0.312 1553 E C -0.367 176.273 176.600 0.066 0.000 1.263 1553 E CA -0.113 56.324 56.400 0.061 0.000 1.356 1553 E CB 0.456 30.169 29.700 0.022 0.000 1.180 1553 E HN 0.147 nan 8.360 nan 0.000 0.494 1554 V N 2.605 122.583 119.914 0.106 0.000 2.350 1554 V HA 0.101 4.222 4.120 0.000 0.000 0.276 1554 V C -0.043 176.084 176.094 0.056 0.000 1.028 1554 V CA -0.560 61.779 62.300 0.066 0.000 0.860 1554 V CB 1.504 33.348 31.823 0.036 0.000 0.990 1554 V HN 0.347 nan 8.190 nan 0.000 0.453 1555 Q N 3.558 123.377 119.800 0.033 0.000 2.396 1555 Q HA 0.422 4.762 4.340 0.000 0.000 0.221 1555 Q C -0.434 175.576 176.000 0.016 0.000 1.025 1555 Q CA -0.020 55.801 55.803 0.030 0.000 0.946 1555 Q CB 1.464 30.215 28.738 0.022 0.000 1.224 1555 Q HN 0.681 nan 8.270 nan 0.000 0.539 1556 V N 1.707 121.634 119.914 0.022 0.000 2.470 1556 V HA 0.424 4.544 4.120 0.000 0.000 0.276 1556 V C 1.164 177.262 176.094 0.006 0.000 1.040 1556 V CA 1.379 63.688 62.300 0.014 0.000 1.008 1556 V CB 0.188 32.025 31.823 0.024 0.000 0.990 1556 V HN 1.004 nan 8.190 nan 0.000 0.477 1557 G N 3.680 112.479 108.800 -0.001 0.000 2.391 1557 G HA2 -0.157 3.803 3.960 0.000 0.000 0.204 1557 G HA3 -0.157 3.803 3.960 0.000 0.000 0.204 1557 G C 0.224 175.125 174.900 0.002 0.000 1.012 1557 G CA -0.218 44.883 45.100 0.003 0.000 0.651 1557 G HN 0.580 nan 8.290 nan 0.000 0.494 1558 Q N 0.699 120.497 119.800 -0.003 0.000 2.492 1558 Q HA 0.509 4.849 4.340 0.000 0.000 0.238 1558 Q C 0.112 176.113 176.000 0.002 0.000 1.045 1558 Q CA 0.371 56.175 55.803 0.001 0.000 0.934 1558 Q CB 0.427 29.165 28.738 -0.000 0.000 1.276 1558 Q HN 0.550 nan 8.270 nan 0.000 0.521 1559 Q N 1.021 120.833 119.800 0.019 0.000 2.274 1559 Q HA 0.489 4.829 4.340 0.000 0.000 0.260 1559 Q C -0.786 175.246 176.000 0.054 0.000 0.974 1559 Q CA -0.721 55.106 55.803 0.041 0.000 0.876 1559 Q CB 1.592 30.360 28.738 0.050 0.000 1.297 1559 Q HN 0.194 nan 8.270 nan 0.000 0.446 1560 R N 1.257 121.808 120.500 0.086 0.000 2.532 1560 R HA 0.349 4.689 4.340 0.000 0.000 0.297 1560 R C -1.074 175.295 176.300 0.116 0.000 0.984 1560 R CA -0.557 55.597 56.100 0.090 0.000 0.884 1560 R CB 2.018 32.352 30.300 0.057 0.000 1.182 1560 R HN 0.591 nan 8.270 nan 0.000 0.442 1561 T N 4.097 118.706 114.554 0.092 0.000 2.779 1561 T HA 0.297 4.648 4.350 0.000 0.000 0.296 1561 T C -0.082 174.663 174.700 0.075 0.000 0.938 1561 T CA 0.342 62.518 62.100 0.126 0.000 1.119 1561 T CB -0.100 68.824 68.868 0.094 0.000 0.891 1561 T HN 0.165 nan 8.240 nan 0.000 0.526 1562 F N 3.460 123.531 119.950 0.203 0.000 2.404 1562 F HA 0.489 5.016 4.527 0.000 0.000 0.354 1562 F C 0.533 176.465 175.800 0.220 0.000 1.122 1562 F CA -1.076 57.063 58.000 0.232 0.000 1.080 1562 F CB 0.726 39.851 39.000 0.209 0.000 1.131 1562 F HN 0.368 nan 8.300 nan 0.000 0.471 1563 I N 2.409 123.148 120.570 0.281 0.000 2.392 1563 I HA 0.486 4.656 4.170 0.000 0.000 0.295 1563 I C -0.044 176.224 176.117 0.252 0.000 0.985 1563 I CA -0.516 60.889 61.300 0.176 0.000 1.221 1563 I CB 1.816 39.793 38.000 -0.038 0.000 1.366 1563 I HN 0.473 nan 8.210 nan 0.000 0.467 1564 S N 6.380 122.263 115.700 0.305 0.000 2.540 1564 S HA 0.580 5.051 4.470 0.000 0.000 0.275 1564 S C -2.779 171.988 174.600 0.279 0.000 1.123 1564 S CA -1.377 57.012 58.200 0.314 0.000 0.907 1564 S CB 2.095 65.514 63.200 0.366 0.000 1.081 1564 S HN 0.202 nan 8.310 nan 0.000 0.476 1565 P HA 0.175 nan 4.420 nan 0.000 0.269 1565 P C 1.021 178.215 177.300 -0.175 0.000 1.217 1565 P CA -0.267 62.693 63.100 -0.233 0.000 0.783 1565 P CB 0.344 31.935 31.700 -0.182 0.000 0.898 1566 I N 2.351 122.744 120.570 -0.294 0.000 2.361 1566 I HA -0.267 3.903 4.170 0.000 0.000 0.251 1566 I C 1.783 177.840 176.117 -0.100 0.000 1.133 1566 I CA 1.557 62.760 61.300 -0.162 0.000 1.413 1566 I CB -0.117 37.774 38.000 -0.181 0.000 1.073 1566 I HN 0.360 nan 8.210 nan 0.000 0.424 1567 K N -0.146 120.180 120.400 -0.124 0.000 2.515 1567 K HA -0.088 4.232 4.320 0.000 0.000 0.196 1567 K C 1.220 177.791 176.600 -0.048 0.000 1.038 1567 K CA 1.156 57.391 56.287 -0.086 0.000 0.967 1567 K CB -0.485 31.951 32.500 -0.108 0.000 0.780 1567 K HN 0.351 nan 8.250 nan 0.000 0.483 1568 c N 0.581 119.170 118.600 -0.019 0.000 3.000 1568 c HA 0.323 4.893 4.570 0.000 0.000 0.286 1568 c C 1.914 176.049 174.090 0.075 0.000 1.343 1568 c CA -0.749 55.601 56.329 0.034 0.000 1.742 1568 c CB -0.940 41.609 42.510 0.065 0.000 2.200 1568 c HN 0.544 nan 8.230 nan 0.000 0.621 1569 R N 1.473 122.008 120.500 0.059 0.000 2.193 1569 R HA -0.046 4.295 4.340 0.000 0.000 0.213 1569 R C 2.026 178.354 176.300 0.046 0.000 1.055 1569 R CA 1.094 57.247 56.100 0.088 0.000 0.995 1569 R CB 0.032 30.373 30.300 0.068 0.000 0.893 1569 R HN 0.647 nan 8.270 nan 0.000 0.459 1570 E N -0.771 119.445 120.200 0.026 0.000 2.166 1570 E HA -0.011 4.340 4.350 0.000 0.000 0.192 1570 E C 1.485 178.097 176.600 0.019 0.000 0.967 1570 E CA 0.640 57.047 56.400 0.011 0.000 0.840 1570 E CB 0.137 29.838 29.700 0.001 0.000 0.795 1570 E HN 0.372 nan 8.360 nan 0.000 0.470 1571 A N 0.673 123.525 122.820 0.053 0.000 2.016 1571 A HA 0.025 4.345 4.320 0.000 0.000 0.217 1571 A C 1.988 179.679 177.584 0.179 0.000 1.162 1571 A CA 0.488 52.605 52.037 0.135 0.000 0.662 1571 A CB -0.200 18.875 19.000 0.124 0.000 0.812 1571 A HN 0.264 nan 8.150 nan 0.000 0.450 1572 L N -1.071 120.190 121.223 0.063 0.000 2.202 1572 L HA -0.039 4.301 4.340 0.000 0.000 0.205 1572 L C 0.784 177.503 176.870 -0.251 0.000 1.083 1572 L CA 0.774 55.496 54.840 -0.198 0.000 0.790 1572 L CB -0.219 41.694 42.059 -0.242 0.000 0.942 1572 L HN 0.503 nan 8.230 nan 0.000 0.452 1573 K N 0.879 121.203 120.400 -0.126 0.000 3.415 1573 K HA -0.219 4.101 4.320 0.000 0.000 0.271 1573 K C -0.637 175.883 176.600 -0.134 0.000 0.876 1573 K CA 0.901 57.131 56.287 -0.095 0.000 0.670 1573 K CB -2.684 29.777 32.500 -0.066 0.000 1.510 1573 K HN 0.246 nan 8.250 nan 0.000 0.455 1574 L N 0.809 121.891 121.223 -0.235 0.000 2.367 1574 L HA 0.242 4.582 4.340 0.000 0.000 0.275 1574 L C 0.731 177.596 176.870 -0.009 0.000 1.129 1574 L CA -0.004 54.678 54.840 -0.264 0.000 0.839 1574 L CB 0.680 42.322 42.059 -0.694 0.000 1.133 1574 L HN 0.359 nan 8.230 nan 0.000 0.453 1575 E N 2.083 122.360 120.200 0.127 0.000 2.227 1575 E HA 0.302 4.653 4.350 0.000 0.000 0.268 1575 E C -0.956 175.713 176.600 0.115 0.000 0.907 1575 E CA -0.836 55.628 56.400 0.106 0.000 0.786 1575 E CB 1.973 31.714 29.700 0.067 0.000 1.191 1575 E HN 0.508 nan 8.360 nan 0.000 0.411 1576 E N 1.645 121.891 120.200 0.077 0.000 2.418 1576 E HA -0.010 4.340 4.350 0.000 0.000 0.261 1576 E C -0.222 176.378 176.600 -0.000 0.000 1.070 1576 E CA 0.226 56.657 56.400 0.051 0.000 0.931 1576 E CB 0.428 30.154 29.700 0.043 0.000 0.954 1576 E HN 0.433 nan 8.360 nan 0.000 0.439 1577 K N 0.046 120.419 120.400 -0.044 0.000 3.407 1577 K HA -0.230 4.090 4.320 0.000 0.000 0.312 1577 K C -0.436 176.031 176.600 -0.221 0.000 1.302 1577 K CA 1.048 57.267 56.287 -0.114 0.000 0.931 1577 K CB -0.924 31.541 32.500 -0.058 0.000 1.257 1577 K HN 0.417 nan 8.250 nan 0.000 0.454 1578 K N 0.225 120.488 120.400 -0.228 0.000 2.211 1578 K HA 0.405 4.726 4.320 0.000 0.000 0.237 1578 K C -0.129 176.098 176.600 -0.622 0.000 1.002 1578 K CA -0.855 55.227 56.287 -0.342 0.000 0.885 1578 K CB 1.148 33.542 32.500 -0.177 0.000 1.136 1578 K HN 0.074 nan 8.250 nan 0.000 0.448 1579 H N 0.491 119.272 119.070 -0.482 0.000 2.573 1579 H HA 0.374 4.930 4.556 0.000 0.000 0.351 1579 H C -1.018 173.898 175.328 -0.687 0.000 1.163 1579 H CA -0.382 55.404 56.048 -0.436 0.000 1.205 1579 H CB 1.218 30.774 29.762 -0.343 0.000 1.605 1579 H HN 0.449 nan 8.280 nan 0.000 0.525 1580 Y N 0.318 120.711 120.300 0.156 0.000 2.544 1580 Y HA 0.181 4.731 4.550 0.000 0.000 0.342 1580 Y C -0.669 175.377 175.900 0.243 0.000 1.062 1580 Y CA -0.923 57.251 58.100 0.123 0.000 1.023 1580 Y CB 1.804 40.229 38.460 -0.059 0.000 1.308 1580 Y HN 0.362 nan 8.280 nan 0.000 0.457 1581 L N 4.465 125.940 121.223 0.420 0.000 2.255 1581 L HA 0.679 5.019 4.340 0.000 0.000 0.289 1581 L C -1.221 175.781 176.870 0.220 0.000 1.046 1581 L CA -0.333 54.758 54.840 0.418 0.000 0.816 1581 L CB 0.127 42.410 42.059 0.373 0.000 1.197 1581 L HN 0.623 nan 8.230 nan 0.000 0.427 1582 M N 5.288 125.025 119.600 0.228 0.000 2.535 1582 M HA 0.642 5.122 4.480 0.000 0.000 0.314 1582 M C -1.562 174.867 176.300 0.216 0.000 1.153 1582 M CA -0.410 54.939 55.300 0.083 0.000 0.924 1582 M CB 2.015 34.612 32.600 -0.004 0.000 1.710 1582 M HN 0.655 nan 8.290 nan 0.000 0.451 1583 W N 0.580 121.926 121.300 0.075 0.000 3.296 1583 W HA 0.911 5.572 4.660 0.000 0.000 0.314 1583 W C -1.300 174.995 176.519 -0.373 0.000 1.238 1583 W CA -1.037 56.125 57.345 -0.304 0.000 1.193 1583 W CB 0.457 29.788 29.460 -0.215 0.000 1.383 1583 W HN 0.867 nan 8.180 nan 0.000 0.545 1584 G N 1.434 109.843 108.800 -0.652 0.000 2.721 1584 G HA2 0.658 4.618 3.960 0.000 0.000 0.296 1584 G HA3 0.658 4.618 3.960 0.000 0.000 0.296 1584 G C -1.450 173.364 174.900 -0.144 0.000 1.383 1584 G CA -1.272 43.717 45.100 -0.185 0.000 0.788 1584 G HN 0.757 nan 8.290 nan 0.000 0.500 1585 L N 0.017 121.301 121.223 0.102 0.000 2.543 1585 L HA 0.319 4.659 4.340 0.000 0.000 0.231 1585 L C 2.115 179.101 176.870 0.193 0.000 1.194 1585 L CA -0.002 54.917 54.840 0.132 0.000 0.823 1585 L CB 1.201 43.333 42.059 0.122 0.000 1.374 1585 L HN 0.711 nan 8.230 nan 0.000 0.507 1586 S N -2.027 113.802 115.700 0.216 0.000 2.478 1586 S HA -0.090 4.380 4.470 0.000 0.000 0.222 1586 S C 1.647 176.432 174.600 0.309 0.000 1.008 1586 S CA 0.408 58.812 58.200 0.340 0.000 0.928 1586 S CB -0.234 63.195 63.200 0.382 0.000 0.781 1586 S HN 0.724 nan 8.310 nan 0.000 0.518 1587 S N 1.162 116.978 115.700 0.194 0.000 2.555 1587 S HA 0.026 4.496 4.470 0.000 0.000 0.230 1587 S C 0.264 174.954 174.600 0.149 0.000 0.978 1587 S CA 0.472 58.775 58.200 0.171 0.000 0.934 1587 S CB -0.481 62.798 63.200 0.131 0.000 0.766 1587 S HN 0.373 nan 8.310 nan 0.000 0.533 1588 D N 0.970 121.419 120.400 0.081 0.000 2.561 1588 D HA 0.363 5.003 4.640 0.000 0.000 0.232 1588 D C -0.913 175.309 176.300 -0.130 0.000 1.198 1588 D CA -0.150 53.871 54.000 0.035 0.000 0.826 1588 D CB -0.335 40.527 40.800 0.103 0.000 0.992 1588 D HN 0.317 nan 8.370 nan 0.000 0.490 1589 F N 0.275 120.275 119.950 0.084 0.000 2.425 1589 F HA 0.437 4.964 4.527 0.000 0.000 0.331 1589 F C 0.065 175.940 175.800 0.125 0.000 1.085 1589 F CA -1.071 56.906 58.000 -0.037 0.000 1.028 1589 F CB 1.530 40.466 39.000 -0.106 0.000 1.177 1589 F HN -0.048 nan 8.300 nan 0.000 0.487 1590 W N 4.213 125.531 121.300 0.031 0.000 2.687 1590 W HA 0.482 5.142 4.660 0.000 0.000 0.328 1590 W C -0.227 176.259 176.519 -0.055 0.000 1.012 1590 W CA -0.320 57.006 57.345 -0.032 0.000 1.262 1590 W CB 1.489 30.907 29.460 -0.070 0.000 1.331 1590 W HN 0.826 nan 8.180 nan 0.000 0.433 1591 G N 3.633 112.121 108.800 -0.520 0.000 2.396 1591 G HA2 -0.136 3.824 3.960 0.000 0.000 0.254 1591 G HA3 -0.136 3.824 3.960 0.000 0.000 0.254 1591 G C -1.369 173.361 174.900 -0.284 0.000 1.248 1591 G CA -0.859 43.973 45.100 -0.447 0.000 1.033 1591 G HN 0.324 nan 8.290 nan 0.000 0.502 1592 E N 0.531 120.598 120.200 -0.222 0.000 2.256 1592 E HA 0.440 4.791 4.350 0.000 0.000 0.267 1592 E C -0.143 176.363 176.600 -0.158 0.000 0.892 1592 E CA -0.775 55.517 56.400 -0.180 0.000 0.775 1592 E CB 1.833 31.440 29.700 -0.155 0.000 1.207 1592 E HN 0.564 nan 8.360 nan 0.000 0.420 1593 K N 2.201 122.505 120.400 -0.161 0.000 2.355 1593 K HA 0.112 4.432 4.320 0.000 0.000 0.270 1593 K C -1.358 175.180 176.600 -0.104 0.000 1.003 1593 K CA -0.977 55.222 56.287 -0.146 0.000 0.957 1593 K CB 0.384 32.791 32.500 -0.155 0.000 0.939 1593 K HN 0.242 nan 8.250 nan 0.000 0.482 1594 P HA 0.017 nan 4.420 nan 0.000 0.255 1594 P C -0.684 176.567 177.300 -0.082 0.000 1.248 1594 P CA 0.317 63.366 63.100 -0.084 0.000 0.807 1594 P CB 0.331 31.998 31.700 -0.056 0.000 1.150 1595 N N 1.171 119.821 118.700 -0.083 0.000 3.124 1595 N HA 0.191 4.932 4.740 0.000 0.000 0.284 1595 N C -0.164 175.291 175.510 -0.091 0.000 1.209 1595 N CA 0.130 53.138 53.050 -0.070 0.000 1.149 1595 N CB -0.005 38.447 38.487 -0.059 0.000 1.434 1595 N HN 0.263 nan 8.380 nan 0.000 0.529 1596 L N 0.224 121.384 121.223 -0.104 0.000 2.343 1596 L HA 0.431 4.771 4.340 0.000 0.000 0.275 1596 L C 0.516 177.333 176.870 -0.089 0.000 1.056 1596 L CA -0.386 54.376 54.840 -0.130 0.000 0.804 1596 L CB 1.251 43.164 42.059 -0.244 0.000 1.203 1596 L HN 0.101 nan 8.230 nan 0.000 0.440 1597 S N 0.325 116.001 115.700 -0.040 0.000 2.536 1597 S HA 0.613 5.084 4.470 0.000 0.000 0.298 1597 S C -1.119 173.413 174.600 -0.113 0.000 1.083 1597 S CA -0.519 57.677 58.200 -0.007 0.000 0.995 1597 S CB 1.395 64.687 63.200 0.154 0.000 1.058 1597 S HN 0.212 nan 8.310 nan 0.000 0.488 1598 Y N 1.361 121.522 120.300 -0.233 0.000 2.352 1598 Y HA 0.520 5.070 4.550 0.000 0.000 0.326 1598 Y C 0.178 176.018 175.900 -0.100 0.000 1.166 1598 Y CA -0.933 56.965 58.100 -0.336 0.000 1.182 1598 Y CB 0.684 38.575 38.460 -0.949 0.000 1.216 1598 Y HN 0.351 nan 8.280 nan 0.000 0.474 1599 I N 4.212 124.865 120.570 0.138 0.000 2.362 1599 I HA 0.238 4.409 4.170 0.000 0.000 0.289 1599 I C -0.175 176.085 176.117 0.239 0.000 0.994 1599 I CA -1.035 60.342 61.300 0.129 0.000 1.158 1599 I CB 1.303 39.312 38.000 0.014 0.000 1.315 1599 I HN 0.583 nan 8.210 nan 0.000 0.451 1600 I N 6.471 127.198 120.570 0.263 0.000 2.270 1600 I HA 0.139 4.309 4.170 0.000 0.000 0.300 1600 I C 1.202 177.420 176.117 0.170 0.000 1.186 1600 I CA 0.054 61.501 61.300 0.245 0.000 1.431 1600 I CB -0.229 37.901 38.000 0.218 0.000 1.485 1600 I HN 0.641 nan 8.210 nan 0.000 0.650 1601 G N 4.133 113.025 108.800 0.153 0.000 2.543 1601 G HA2 0.223 4.183 3.960 0.000 0.000 0.267 1601 G HA3 0.223 4.183 3.960 0.000 0.000 0.267 1601 G C 0.775 175.730 174.900 0.090 0.000 1.406 1601 G CA -0.521 44.641 45.100 0.103 0.000 1.048 1601 G HN 0.628 nan 8.290 nan 0.000 0.548 1602 K N -0.818 119.616 120.400 0.056 0.000 2.525 1602 K HA 0.174 4.494 4.320 0.000 0.000 0.192 1602 K C 0.407 177.054 176.600 0.079 0.000 1.029 1602 K CA 0.981 57.290 56.287 0.035 0.000 1.029 1602 K CB 0.495 32.994 32.500 -0.002 0.000 0.814 1602 K HN 0.189 nan 8.250 nan 0.000 0.503 1603 D N 0.666 121.131 120.400 0.109 0.000 2.431 1603 D HA 0.043 4.683 4.640 0.000 0.000 0.213 1603 D C -0.517 175.887 176.300 0.174 0.000 1.130 1603 D CA 0.131 54.218 54.000 0.145 0.000 0.834 1603 D CB 0.669 41.548 40.800 0.131 0.000 0.985 1603 D HN 0.102 nan 8.370 nan 0.000 0.504 1604 T N 0.857 115.500 114.554 0.148 0.000 2.771 1604 T HA 0.088 4.439 4.350 0.000 0.000 0.291 1604 T C -0.234 174.474 174.700 0.013 0.000 0.954 1604 T CA -0.611 61.559 62.100 0.116 0.000 1.045 1604 T CB 1.502 70.465 68.868 0.159 0.000 0.917 1604 T HN 0.101 nan 8.240 nan 0.000 0.484 1605 W N 5.126 126.163 121.300 -0.438 0.000 2.342 1605 W HA 0.495 5.156 4.660 0.000 0.000 0.310 1605 W C -1.635 174.520 176.519 -0.605 0.000 1.128 1605 W CA -0.753 56.158 57.345 -0.724 0.000 1.322 1605 W CB 0.575 28.969 29.460 -1.777 0.000 1.251 1605 W HN 0.295 nan 8.180 nan 0.000 0.439 1606 V N 6.399 125.768 119.914 -0.908 0.000 2.357 1606 V HA 0.265 4.385 4.120 0.000 0.000 0.284 1606 V C -0.385 175.163 176.094 -0.910 0.000 1.018 1606 V CA -0.536 61.279 62.300 -0.808 0.000 0.841 1606 V CB 1.465 32.778 31.823 -0.850 0.000 0.991 1606 V HN 0.526 nan 8.190 nan 0.000 0.437 1607 E N 2.790 122.680 120.200 -0.516 0.000 2.263 1607 E HA 0.350 4.700 4.350 0.000 0.000 0.268 1607 E C -1.086 175.563 176.600 0.082 0.000 0.884 1607 E CA -0.882 55.338 56.400 -0.300 0.000 0.766 1607 E CB 1.449 31.023 29.700 -0.210 0.000 1.196 1607 E HN 0.850 nan 8.360 nan 0.000 0.416 1608 H N 4.465 123.561 119.070 0.044 0.000 2.975 1608 H HA 0.049 4.605 4.556 0.000 0.000 0.303 1608 H C -1.202 174.150 175.328 0.040 0.000 1.023 1608 H CA 0.061 56.167 56.048 0.096 0.000 1.473 1608 H CB 0.412 30.203 29.762 0.048 0.000 1.498 1608 H HN 0.337 nan 8.280 nan 0.000 0.549 1609 W N 9.028 129.925 121.300 -0.671 0.000 2.308 1609 W HA 0.279 4.940 4.660 0.000 0.000 0.311 1609 W C -2.651 173.453 176.519 -0.692 0.000 1.088 1609 W CA -3.102 53.953 57.345 -0.484 0.000 1.309 1609 W CB 0.705 30.023 29.460 -0.237 0.000 1.229 1609 W HN 0.636 nan 8.180 nan 0.000 0.427 1610 P HA -0.059 nan 4.420 nan 0.000 0.267 1610 P C -0.007 177.346 177.300 0.088 0.000 1.200 1610 P CA 0.346 63.451 63.100 0.007 0.000 0.772 1610 P CB 0.884 32.634 31.700 0.084 0.000 0.855 1611 E N 1.121 121.356 120.200 0.059 0.000 2.585 1611 E HA -0.065 4.285 4.350 0.000 0.000 0.256 1611 E C 1.291 177.897 176.600 0.009 0.000 1.383 1611 E CA 0.168 56.584 56.400 0.028 0.000 1.029 1611 E CB 0.186 29.920 29.700 0.057 0.000 1.044 1611 E HN 0.380 nan 8.360 nan 0.000 0.595 1612 E N 0.290 120.476 120.200 -0.023 0.000 2.047 1612 E HA -0.166 4.184 4.350 0.000 0.000 0.191 1612 E C 0.742 177.349 176.600 0.011 0.000 0.987 1612 E CA 2.021 58.411 56.400 -0.017 0.000 0.799 1612 E CB -0.206 29.472 29.700 -0.036 0.000 0.752 1612 E HN 0.571 nan 8.360 nan 0.000 0.449 1613 D N -0.450 119.959 120.400 0.014 0.000 2.319 1613 D HA -0.029 4.611 4.640 0.000 0.000 0.230 1613 D C 0.751 177.068 176.300 0.028 0.000 1.094 1613 D CA 0.161 54.172 54.000 0.019 0.000 0.856 1613 D CB -0.005 40.804 40.800 0.015 0.000 0.915 1613 D HN 0.386 nan 8.370 nan 0.000 0.517 1614 E N -0.599 119.624 120.200 0.038 0.000 2.431 1614 E HA 0.067 4.417 4.350 0.000 0.000 0.200 1614 E C 1.118 177.747 176.600 0.049 0.000 0.995 1614 E CA -0.054 56.375 56.400 0.048 0.000 0.915 1614 E CB 0.273 30.015 29.700 0.070 0.000 0.930 1614 E HN 0.227 nan 8.360 nan 0.000 0.496 1615 c N 1.911 120.541 118.600 0.049 0.000 2.472 1615 c HA -0.022 4.548 4.570 0.000 0.000 0.278 1615 c C 2.291 176.402 174.090 0.034 0.000 1.447 1615 c CA 0.317 56.674 56.329 0.047 0.000 1.773 1615 c CB -0.531 42.014 42.510 0.058 0.000 1.793 1615 c HN 0.418 nan 8.230 nan 0.000 0.544 1616 Q N 0.694 120.512 119.800 0.029 0.000 2.230 1616 Q HA -0.027 4.313 4.340 0.000 0.000 0.202 1616 Q C 0.605 176.618 176.000 0.021 0.000 0.963 1616 Q CA 0.799 56.616 55.803 0.023 0.000 0.866 1616 Q CB -0.560 28.190 28.738 0.019 0.000 0.931 1616 Q HN 0.617 nan 8.270 nan 0.000 0.452 1617 D N 2.771 123.185 120.400 0.023 0.000 2.450 1617 D HA -0.072 4.568 4.640 0.000 0.000 0.247 1617 D C 0.221 176.532 176.300 0.018 0.000 1.162 1617 D CA 0.101 54.113 54.000 0.020 0.000 0.879 1617 D CB 0.578 41.393 40.800 0.024 0.000 1.163 1617 D HN 0.204 nan 8.370 nan 0.000 0.472 1618 E N 2.351 122.559 120.200 0.014 0.000 2.651 1618 E HA 0.018 4.368 4.350 0.000 0.000 0.236 1618 E C 0.121 176.726 176.600 0.010 0.000 1.422 1618 E CA 0.256 56.663 56.400 0.011 0.000 1.534 1618 E CB -0.004 29.701 29.700 0.009 0.000 1.381 1618 E HN 0.551 nan 8.360 nan 0.000 0.435 1619 E N -0.194 120.013 120.200 0.012 0.000 2.626 1619 E HA 0.067 4.417 4.350 0.000 0.000 0.194 1619 E C 0.936 177.543 176.600 0.012 0.000 0.950 1619 E CA 0.011 56.417 56.400 0.010 0.000 1.583 1619 E CB 0.306 30.011 29.700 0.008 0.000 1.881 1619 E HN 0.259 nan 8.360 nan 0.000 0.979 1620 N N 0.815 119.527 118.700 0.019 0.000 2.424 1620 N HA -0.039 4.701 4.740 0.000 0.000 0.178 1620 N C 1.462 176.980 175.510 0.014 0.000 1.060 1620 N CA 0.244 53.309 53.050 0.024 0.000 0.901 1620 N CB 0.266 38.778 38.487 0.042 0.000 0.979 1620 N HN 0.085 nan 8.380 nan 0.000 0.451 1621 Q N 1.261 121.069 119.800 0.014 0.000 2.029 1621 Q HA -0.246 4.094 4.340 0.000 0.000 0.209 1621 Q C 1.858 177.859 176.000 0.002 0.000 0.999 1621 Q CA 1.526 57.337 55.803 0.012 0.000 0.857 1621 Q CB -0.141 28.605 28.738 0.013 0.000 0.926 1621 Q HN 0.095 nan 8.270 nan 0.000 0.415 1622 K N 1.027 121.427 120.400 -0.001 0.000 2.173 1622 K HA -0.258 4.063 4.320 0.000 0.000 0.207 1622 K C 1.888 178.475 176.600 -0.023 0.000 1.046 1622 K CA 1.857 58.139 56.287 -0.008 0.000 0.929 1622 K CB -0.152 32.344 32.500 -0.006 0.000 0.720 1622 K HN 0.260 nan 8.250 nan 0.000 0.453 1623 Q N -1.122 118.659 119.800 -0.032 0.000 2.123 1623 Q HA -0.070 4.270 4.340 0.000 0.000 0.196 1623 Q C 2.080 178.015 176.000 -0.108 0.000 0.958 1623 Q CA 1.450 57.210 55.803 -0.072 0.000 0.841 1623 Q CB -0.089 28.607 28.738 -0.069 0.000 0.915 1623 Q HN 0.429 nan 8.270 nan 0.000 0.455 1624 c N 0.989 119.553 118.600 -0.060 0.000 2.413 1624 c HA -0.162 4.409 4.570 0.000 0.000 0.276 1624 c C 2.525 176.609 174.090 -0.009 0.000 1.236 1624 c CA 0.997 57.310 56.329 -0.027 0.000 1.735 1624 c CB -0.901 41.633 42.510 0.039 0.000 2.031 1624 c HN 0.599 nan 8.230 nan 0.000 0.474 1625 Q N 0.202 120.001 119.800 -0.001 0.000 2.291 1625 Q HA -0.163 4.177 4.340 0.000 0.000 0.205 1625 Q C 1.476 177.480 176.000 0.006 0.000 0.970 1625 Q CA 1.225 57.036 55.803 0.014 0.000 0.876 1625 Q CB -0.162 28.583 28.738 0.013 0.000 0.935 1625 Q HN 0.682 nan 8.270 nan 0.000 0.455 1626 D N 0.247 120.629 120.400 -0.031 0.000 2.183 1626 D HA -0.028 4.613 4.640 0.000 0.000 0.205 1626 D C 1.844 178.120 176.300 -0.041 0.000 0.962 1626 D CA 0.668 54.649 54.000 -0.033 0.000 0.849 1626 D CB 0.068 40.831 40.800 -0.062 0.000 0.978 1626 D HN 0.177 nan 8.370 nan 0.000 0.488 1627 L N 0.471 121.591 121.223 -0.173 0.000 2.109 1627 L HA 0.029 4.369 4.340 0.000 0.000 0.207 1627 L C 2.443 179.314 176.870 0.002 0.000 1.086 1627 L CA 1.199 55.838 54.840 -0.336 0.000 0.760 1627 L CB -0.472 40.908 42.059 -1.132 0.000 0.910 1627 L HN 0.073 nan 8.230 nan 0.000 0.437 1628 G N -0.649 108.213 108.800 0.103 0.000 2.443 1628 G HA2 -0.148 3.812 3.960 0.000 0.000 0.219 1628 G HA3 -0.148 3.812 3.960 0.000 0.000 0.219 1628 G C 1.646 176.636 174.900 0.149 0.000 1.131 1628 G CA 0.754 45.978 45.100 0.207 0.000 0.775 1628 G HN 0.452 nan 8.290 nan 0.000 0.547 1629 A N 0.002 122.891 122.820 0.114 0.000 2.030 1629 A HA 0.320 4.640 4.320 0.000 0.000 0.215 1629 A C 1.936 179.597 177.584 0.129 0.000 1.164 1629 A CA 0.651 52.748 52.037 0.100 0.000 0.697 1629 A CB -0.309 18.735 19.000 0.073 0.000 0.827 1629 A HN 0.330 nan 8.150 nan 0.000 0.457 1630 F N 1.274 121.226 119.950 0.003 0.000 2.502 1630 F HA -0.035 4.492 4.527 0.000 0.000 0.298 1630 F C 2.146 177.984 175.800 0.063 0.000 1.111 1630 F CA 1.769 59.771 58.000 0.003 0.000 1.445 1630 F CB -0.266 38.714 39.000 -0.033 0.000 1.081 1630 F HN 0.169 nan 8.300 nan 0.000 0.558 1631 T N 0.030 114.651 114.554 0.111 0.000 2.732 1631 T HA -0.144 4.206 4.350 0.000 0.000 0.261 1631 T C 1.604 176.303 174.700 -0.002 0.000 1.040 1631 T CA 1.760 63.919 62.100 0.099 0.000 1.145 1631 T CB -0.181 68.833 68.868 0.243 0.000 0.866 1631 T HN 0.346 nan 8.240 nan 0.000 0.427 1632 E N 0.676 120.892 120.200 0.027 0.000 2.442 1632 E HA 0.104 4.454 4.350 0.000 0.000 0.195 1632 E C 1.937 178.560 176.600 0.038 0.000 1.030 1632 E CA 0.104 56.520 56.400 0.027 0.000 0.869 1632 E CB 0.071 29.800 29.700 0.049 0.000 0.857 1632 E HN 0.218 nan 8.360 nan 0.000 0.505 1633 S N -0.150 115.548 115.700 -0.003 0.000 2.558 1633 S HA 0.093 4.563 4.470 0.000 0.000 0.217 1633 S C 1.572 176.147 174.600 -0.042 0.000 0.975 1633 S CA 0.251 58.473 58.200 0.037 0.000 0.912 1633 S CB 0.213 63.397 63.200 -0.028 0.000 0.776 1633 S HN 0.134 nan 8.310 nan 0.000 0.526 1634 M N -0.161 119.330 119.600 -0.182 0.000 2.571 1634 M HA 0.229 4.709 4.480 0.000 0.000 0.259 1634 M C 1.770 178.008 176.300 -0.102 0.000 1.205 1634 M CA 0.575 55.741 55.300 -0.222 0.000 1.138 1634 M CB -0.352 31.969 32.600 -0.465 0.000 1.329 1634 M HN 0.142 nan 8.290 nan 0.000 0.503 1635 V N 0.071 119.942 119.914 -0.072 0.000 2.323 1635 V HA -0.146 3.974 4.120 0.000 0.000 0.244 1635 V C 2.356 178.412 176.094 -0.063 0.000 1.041 1635 V CA 1.307 63.580 62.300 -0.044 0.000 1.025 1635 V CB -0.249 31.560 31.823 -0.023 0.000 0.656 1635 V HN 0.155 nan 8.190 nan 0.000 0.451 1636 V N -1.102 118.762 119.914 -0.083 0.000 2.273 1636 V HA -0.105 4.015 4.120 0.000 0.000 0.242 1636 V C 2.001 177.910 176.094 -0.308 0.000 1.035 1636 V CA 2.034 64.198 62.300 -0.226 0.000 1.013 1636 V CB -0.548 31.082 31.823 -0.322 0.000 0.652 1636 V HN 0.424 nan 8.190 nan 0.000 0.452 1637 F N -0.279 119.633 119.950 -0.063 0.000 2.222 1637 F HA 0.483 5.010 4.527 0.000 0.000 0.285 1637 F C 1.854 177.611 175.800 -0.071 0.000 1.068 1637 F CA 1.402 59.365 58.000 -0.062 0.000 1.265 1637 F CB -0.576 38.385 39.000 -0.065 0.000 1.087 1637 F HN 0.331 nan 8.300 nan 0.000 0.511 1638 G N -0.460 108.402 108.800 0.104 0.000 2.848 1638 G HA2 -0.243 3.717 3.960 0.000 0.000 0.246 1638 G HA3 -0.243 3.717 3.960 0.000 0.000 0.246 1638 G C -0.862 174.021 174.900 -0.028 0.000 1.374 1638 G CA -0.470 44.629 45.100 -0.001 0.000 0.982 1638 G HN 0.408 nan 8.290 nan 0.000 0.563 1639 c N 2.391 120.976 118.600 -0.025 0.000 2.391 1639 c HA 0.687 5.257 4.570 0.000 0.000 0.339 1639 c C -0.121 173.952 174.090 -0.028 0.000 1.205 1639 c CA 0.120 56.419 56.329 -0.050 0.000 1.937 1639 c CB 1.278 43.752 42.510 -0.061 0.000 2.341 1639 c HN 0.680 nan 8.230 nan 0.000 0.516 1640 P HA -0.035 nan 4.420 nan 0.000 0.217 1640 P C 0.272 177.554 177.300 -0.030 0.000 1.151 1640 P CA 1.119 64.191 63.100 -0.047 0.000 0.828 1640 P CB 0.152 31.810 31.700 -0.070 0.000 0.788 1641 N N 0.000 118.680 118.700 -0.034 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.035 53.050 -0.024 0.000 0.885 1641 N CB 0.000 38.470 38.487 -0.028 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667