REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xwj_1_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 0.000 176.348 176.300 0.080 0.000 2.045 730 D CA 0.000 54.036 54.000 0.061 0.000 0.868 730 D CB 0.000 40.831 40.800 0.052 0.000 0.688 731 E N 0.286 120.531 120.200 0.074 0.000 2.388 731 E HA 0.565 4.915 4.350 -0.000 0.000 0.281 731 E C -1.540 175.062 176.600 0.003 0.000 1.046 731 E CA -0.384 56.062 56.400 0.076 0.000 0.825 731 E CB 2.311 32.036 29.700 0.043 0.000 1.243 731 E HN -0.036 nan 8.360 nan 0.000 0.438 732 D N 1.275 121.625 120.400 -0.083 0.000 4.725 732 D HA 0.369 5.009 4.640 -0.000 0.000 0.263 732 D C 0.179 176.308 176.300 -0.286 0.000 1.787 732 D CA 0.974 54.866 54.000 -0.181 0.000 1.071 732 D CB -0.416 40.227 40.800 -0.262 0.000 1.722 732 D HN 0.839 nan 8.370 nan 0.000 0.635 733 I N -0.998 119.342 120.570 -0.383 0.000 7.292 733 I HA -0.310 3.860 4.170 -0.000 0.000 0.126 733 I C -0.839 175.151 176.117 -0.212 0.000 1.519 733 I CA 0.496 61.576 61.300 -0.367 0.000 2.398 733 I CB -0.834 36.802 38.000 -0.606 0.000 3.030 733 I HN 0.313 nan 8.210 nan 0.000 0.266 734 I N 1.786 122.235 120.570 -0.201 0.000 2.460 734 I HA 0.584 4.754 4.170 -0.000 0.000 0.298 734 I C 0.925 176.973 176.117 -0.115 0.000 0.989 734 I CA -0.334 60.880 61.300 -0.144 0.000 1.173 734 I CB 1.532 39.417 38.000 -0.191 0.000 1.338 734 I HN 0.808 nan 8.210 nan 0.000 0.456 735 A N 5.060 127.837 122.820 -0.072 0.000 2.565 735 A HA 0.040 4.360 4.320 -0.000 0.000 0.237 735 A C 1.076 178.636 177.584 -0.040 0.000 1.053 735 A CA -0.063 51.945 52.037 -0.048 0.000 0.755 735 A CB 0.079 19.064 19.000 -0.024 0.000 0.980 735 A HN 0.780 nan 8.150 nan 0.000 0.506 736 E N 1.848 122.031 120.200 -0.028 0.000 2.515 736 E HA -0.118 4.232 4.350 -0.000 0.000 0.201 736 E C 1.022 177.622 176.600 0.000 0.000 1.071 736 E CA 1.016 57.409 56.400 -0.011 0.000 0.880 736 E CB 0.058 29.760 29.700 0.003 0.000 0.828 736 E HN 0.876 nan 8.360 nan 0.000 0.540 737 E N 0.359 120.558 120.200 -0.002 0.000 2.276 737 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 737 E C 0.344 176.947 176.600 0.004 0.000 0.983 737 E CA 0.115 56.519 56.400 0.006 0.000 0.861 737 E CB 0.200 29.905 29.700 0.008 0.000 0.817 737 E HN 0.048 nan 8.360 nan 0.000 0.485 738 N N 1.072 119.770 118.700 -0.004 0.000 2.714 738 N HA 0.221 4.960 4.740 -0.000 0.000 0.298 738 N C -0.917 174.583 175.510 -0.017 0.000 1.298 738 N CA 0.234 53.282 53.050 -0.004 0.000 1.007 738 N CB 0.372 38.859 38.487 -0.001 0.000 1.318 738 N HN 0.089 nan 8.380 nan 0.000 0.516 739 I N 0.565 121.131 120.570 -0.008 0.000 2.521 739 I HA 0.188 4.358 4.170 -0.000 0.000 0.277 739 I C -0.256 175.868 176.117 0.012 0.000 1.054 739 I CA -0.825 60.471 61.300 -0.006 0.000 1.117 739 I CB 1.733 39.731 38.000 -0.003 0.000 1.217 739 I HN -0.264 nan 8.210 nan 0.000 0.469 740 V N 5.063 124.984 119.914 0.013 0.000 2.377 740 V HA 0.037 4.157 4.120 -0.000 0.000 0.254 740 V C 0.858 176.969 176.094 0.028 0.000 1.060 740 V CA 0.258 62.569 62.300 0.018 0.000 1.068 740 V CB 0.038 31.869 31.823 0.014 0.000 1.113 740 V HN 0.711 nan 8.190 nan 0.000 0.484 741 S N 5.729 121.450 115.700 0.036 0.000 2.576 741 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 741 S C 0.601 175.234 174.600 0.056 0.000 1.339 741 S CA -0.596 57.640 58.200 0.060 0.000 1.039 741 S CB 0.590 63.829 63.200 0.064 0.000 0.902 741 S HN 0.690 nan 8.310 nan 0.000 0.516 742 R N 0.898 121.454 120.500 0.093 0.000 2.707 742 R HA 0.285 4.625 4.340 -0.000 0.000 0.270 742 R C 1.030 177.363 176.300 0.055 0.000 1.083 742 R CA 0.263 56.377 56.100 0.024 0.000 1.182 742 R CB 0.297 30.644 30.300 0.079 0.000 1.084 742 R HN 0.857 nan 8.270 nan 0.000 0.528 743 S N -1.340 114.221 115.700 -0.231 0.000 2.660 743 S HA -0.006 4.464 4.470 -0.000 0.000 0.262 743 S C -0.229 174.167 174.600 -0.339 0.000 1.006 743 S CA -0.629 57.531 58.200 -0.068 0.000 1.174 743 S CB 0.097 63.288 63.200 -0.015 0.000 0.939 743 S HN 0.562 nan 8.310 nan 0.000 0.438 744 E N 1.539 121.395 120.200 -0.574 0.000 1.944 744 E HA 0.286 4.635 4.350 -0.000 0.000 0.272 744 E C -1.477 174.726 176.600 -0.661 0.000 1.195 744 E CA -0.038 56.087 56.400 -0.459 0.000 0.926 744 E CB -0.070 29.411 29.700 -0.365 0.000 1.051 744 E HN 0.497 nan 8.360 nan 0.000 0.404 745 F N 3.060 123.033 119.950 0.038 0.000 2.597 745 F HA 0.279 4.806 4.527 -0.000 0.000 0.336 745 F C -2.039 173.853 175.800 0.153 0.000 1.432 745 F CA -2.142 55.922 58.000 0.107 0.000 1.120 745 F CB 0.374 39.420 39.000 0.078 0.000 1.253 745 F HN 0.233 nan 8.300 nan 0.000 0.546 746 P HA 0.156 nan 4.420 nan 0.000 0.272 746 P C 0.553 178.118 177.300 0.441 0.000 1.223 746 P CA -0.108 63.154 63.100 0.270 0.000 0.784 746 P CB 1.050 32.847 31.700 0.163 0.000 0.923 747 E N -0.234 120.168 120.200 0.337 0.000 2.371 747 E HA 0.049 4.398 4.350 -0.000 0.000 0.194 747 E C -0.005 176.842 176.600 0.411 0.000 1.012 747 E CA 0.421 57.019 56.400 0.331 0.000 0.860 747 E CB 0.170 29.987 29.700 0.194 0.000 0.811 747 E HN 0.533 nan 8.360 nan 0.000 0.502 748 S N -0.087 115.857 115.700 0.406 0.000 2.542 748 S HA 0.509 4.978 4.470 -0.000 0.000 0.276 748 S C -1.152 173.683 174.600 0.390 0.000 1.148 748 S CA -1.200 57.213 58.200 0.356 0.000 0.886 748 S CB 1.197 64.507 63.200 0.184 0.000 1.109 748 S HN 0.333 nan 8.310 nan 0.000 0.458 749 W N 0.828 122.168 121.300 0.066 0.000 2.955 749 W HA 0.687 5.347 4.660 -0.000 0.000 0.428 749 W C -0.697 175.870 176.519 0.081 0.000 1.041 749 W CA -1.080 56.280 57.345 0.025 0.000 1.220 749 W CB -0.391 29.004 29.460 -0.110 0.000 1.459 749 W HN 1.286 nan 8.180 nan 0.000 0.618 750 L N 2.007 123.356 121.223 0.210 0.000 3.677 750 L HA -0.219 4.120 4.340 -0.000 0.000 0.464 750 L C -0.328 176.571 176.870 0.047 0.000 1.278 750 L CA 0.275 55.099 54.840 -0.026 0.000 0.806 750 L CB -1.233 40.468 42.059 -0.596 0.000 1.610 750 L HN 0.581 nan 8.230 nan 0.000 0.867 751 W N 3.982 125.271 121.300 -0.017 0.000 1.818 751 W HA 0.358 5.018 4.660 -0.000 0.000 0.334 751 W C 0.069 176.585 176.519 -0.004 0.000 0.753 751 W CA -0.500 56.834 57.345 -0.018 0.000 1.826 751 W CB 0.123 29.588 29.460 0.009 0.000 2.001 751 W HN 0.481 nan 8.180 nan 0.000 0.324 752 N N 0.538 119.173 118.700 -0.107 0.000 3.100 752 N HA 0.529 5.269 4.740 -0.000 0.000 0.344 752 N C -1.402 174.001 175.510 -0.179 0.000 1.413 752 N CA -0.746 52.250 53.050 -0.090 0.000 0.752 752 N CB 2.112 40.594 38.487 -0.008 0.000 1.519 752 N HN -0.241 nan 8.380 nan 0.000 0.620 753 V N 0.893 120.741 119.914 -0.109 0.000 2.709 753 V HA 0.400 4.520 4.120 -0.000 0.000 0.308 753 V C -0.883 175.166 176.094 -0.074 0.000 1.062 753 V CA -0.644 61.588 62.300 -0.113 0.000 0.901 753 V CB 2.204 33.969 31.823 -0.097 0.000 1.003 753 V HN 0.538 nan 8.190 nan 0.000 0.425 754 E N 1.908 122.062 120.200 -0.077 0.000 2.317 754 E HA 0.574 4.923 4.350 -0.000 0.000 0.270 754 E C -1.793 174.774 176.600 -0.054 0.000 0.885 754 E CA -0.753 55.613 56.400 -0.057 0.000 0.760 754 E CB 2.788 32.453 29.700 -0.058 0.000 1.227 754 E HN 0.620 nan 8.360 nan 0.000 0.434 755 D N 1.533 121.908 120.400 -0.041 0.000 2.505 755 D HA 0.350 4.989 4.640 -0.000 0.000 0.249 755 D C -0.285 175.995 176.300 -0.034 0.000 1.082 755 D CA -0.465 53.512 54.000 -0.038 0.000 0.839 755 D CB 1.530 42.312 40.800 -0.031 0.000 1.317 755 D HN 0.171 nan 8.370 nan 0.000 0.497 756 L N 2.716 123.918 121.223 -0.036 0.000 2.334 756 L HA 0.303 4.643 4.340 -0.000 0.000 0.286 756 L C 1.238 178.092 176.870 -0.027 0.000 1.108 756 L CA 0.011 54.831 54.840 -0.033 0.000 0.875 756 L CB 0.364 42.401 42.059 -0.037 0.000 1.246 756 L HN 0.202 nan 8.230 nan 0.000 0.439 757 K N 0.985 121.371 120.400 -0.024 0.000 2.402 757 K HA 0.156 4.476 4.320 -0.000 0.000 0.204 757 K C -0.028 176.562 176.600 -0.018 0.000 1.056 757 K CA -0.339 55.937 56.287 -0.020 0.000 1.069 757 K CB 0.775 33.265 32.500 -0.017 0.000 0.888 757 K HN 0.441 nan 8.250 nan 0.000 0.546 758 E N 2.014 122.202 120.200 -0.020 0.000 2.418 758 E HA 0.020 4.369 4.350 -0.000 0.000 0.261 758 E C -2.522 174.067 176.600 -0.018 0.000 1.070 758 E CA -1.674 54.714 56.400 -0.019 0.000 0.931 758 E CB -0.128 29.560 29.700 -0.021 0.000 0.954 758 E HN -0.116 nan 8.360 nan 0.000 0.439 759 P HA 0.022 nan 4.420 nan 0.000 0.256 759 P C -2.390 174.901 177.300 -0.016 0.000 1.189 759 P CA -0.605 62.487 63.100 -0.014 0.000 0.808 759 P CB -0.265 31.428 31.700 -0.013 0.000 0.793 760 P HA 0.161 nan 4.420 nan 0.000 0.271 760 P C -0.443 176.848 177.300 -0.015 0.000 1.226 760 P CA 0.220 63.310 63.100 -0.017 0.000 0.765 760 P CB 0.690 32.380 31.700 -0.016 0.000 0.835 761 K N 3.043 123.433 120.400 -0.016 0.000 2.426 761 K HA 0.275 4.595 4.320 -0.000 0.000 0.254 761 K C -0.218 176.373 176.600 -0.015 0.000 0.936 761 K CA -0.691 55.587 56.287 -0.015 0.000 0.801 761 K CB 1.242 33.733 32.500 -0.014 0.000 1.139 761 K HN 0.237 nan 8.250 nan 0.000 0.424 762 N N 1.377 120.069 118.700 -0.013 0.000 2.741 762 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 762 N C 0.532 176.033 175.510 -0.014 0.000 1.112 762 N CA 1.519 54.561 53.050 -0.013 0.000 0.750 762 N CB -1.356 37.123 38.487 -0.013 0.000 1.119 762 N HN 1.125 nan 8.380 nan 0.000 0.561 763 G N -1.438 107.353 108.800 -0.015 0.000 2.143 763 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.248 763 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.248 763 G C -0.263 174.625 174.900 -0.019 0.000 0.991 763 G CA 0.421 45.511 45.100 -0.016 0.000 0.689 763 G HN 0.411 nan 8.290 nan 0.000 0.522 764 I N 1.386 121.944 120.570 -0.020 0.000 2.439 764 I HA 0.391 4.561 4.170 -0.000 0.000 0.283 764 I C 0.307 176.409 176.117 -0.026 0.000 1.023 764 I CA -0.768 60.518 61.300 -0.024 0.000 1.100 764 I CB 1.300 39.285 38.000 -0.025 0.000 1.238 764 I HN 0.027 nan 8.210 nan 0.000 0.445 765 S N 4.313 119.996 115.700 -0.029 0.000 2.585 765 S HA 0.666 5.136 4.470 -0.000 0.000 0.277 765 S C 0.222 174.800 174.600 -0.037 0.000 1.241 765 S CA -0.334 57.848 58.200 -0.030 0.000 1.041 765 S CB 1.438 64.621 63.200 -0.029 0.000 0.987 765 S HN 0.592 nan 8.310 nan 0.000 0.512 766 T N 2.753 117.285 114.554 -0.036 0.000 2.886 766 T HA 0.480 4.830 4.350 -0.000 0.000 0.292 766 T C -0.733 173.942 174.700 -0.042 0.000 1.012 766 T CA -0.773 61.301 62.100 -0.043 0.000 0.982 766 T CB 1.416 70.259 68.868 -0.042 0.000 1.018 766 T HN 0.509 nan 8.240 nan 0.000 0.451 767 K N 3.243 123.613 120.400 -0.050 0.000 2.397 767 K HA 0.584 4.904 4.320 -0.000 0.000 0.253 767 K C -1.306 175.263 176.600 -0.051 0.000 0.932 767 K CA -0.802 55.458 56.287 -0.045 0.000 0.795 767 K CB 1.045 33.518 32.500 -0.045 0.000 1.159 767 K HN 0.498 nan 8.250 nan 0.000 0.424 768 L N 6.028 127.226 121.223 -0.041 0.000 2.272 768 L HA 0.398 4.737 4.340 -0.000 0.000 0.284 768 L C -0.184 176.665 176.870 -0.034 0.000 1.045 768 L CA -0.538 54.277 54.840 -0.042 0.000 0.842 768 L CB 0.996 43.034 42.059 -0.035 0.000 1.224 768 L HN 0.598 nan 8.230 nan 0.000 0.430 769 M N 2.802 122.379 119.600 -0.038 0.000 2.314 769 M HA 0.242 4.722 4.480 -0.000 0.000 0.342 769 M C 0.038 176.322 176.300 -0.027 0.000 1.171 769 M CA 0.020 55.306 55.300 -0.024 0.000 1.098 769 M CB 1.365 33.952 32.600 -0.023 0.000 1.559 769 M HN 0.460 nan 8.290 nan 0.000 0.459 770 N N 3.745 122.434 118.700 -0.018 0.000 2.800 770 N HA 0.407 5.146 4.740 -0.000 0.000 0.240 770 N C -1.177 174.293 175.510 -0.067 0.000 1.096 770 N CA -0.350 52.660 53.050 -0.068 0.000 0.877 770 N CB 0.722 39.164 38.487 -0.076 0.000 1.138 770 N HN 0.618 nan 8.380 nan 0.000 0.509 771 I N -1.085 119.457 120.570 -0.047 0.000 2.797 771 I HA 0.548 4.718 4.170 -0.000 0.000 0.310 771 I C -1.028 175.035 176.117 -0.090 0.000 0.990 771 I CA -0.697 60.652 61.300 0.081 0.000 1.228 771 I CB 0.883 39.002 38.000 0.199 0.000 1.406 771 I HN 0.096 nan 8.210 nan 0.000 0.534 772 F N 3.861 123.831 119.950 0.032 0.000 2.347 772 F HA 0.501 5.028 4.527 -0.000 0.000 0.366 772 F C 0.081 175.742 175.800 -0.232 0.000 1.107 772 F CA -0.551 57.406 58.000 -0.072 0.000 1.058 772 F CB 1.166 40.104 39.000 -0.103 0.000 1.236 772 F HN 0.297 nan 8.300 nan 0.000 0.456 773 L N 4.432 125.615 121.223 -0.066 0.000 2.483 773 L HA 0.064 4.404 4.340 -0.000 0.000 0.276 773 L C 0.934 177.577 176.870 -0.378 0.000 1.213 773 L CA -0.285 54.421 54.840 -0.224 0.000 0.843 773 L CB 0.265 42.328 42.059 0.007 0.000 1.107 773 L HN 0.487 nan 8.230 nan 0.000 0.487 774 K N 1.558 121.563 120.400 -0.658 0.000 2.332 774 K HA 0.041 4.361 4.320 -0.000 0.000 0.246 774 K C 0.345 176.842 176.600 -0.173 0.000 1.066 774 K CA -0.219 55.765 56.287 -0.506 0.000 0.898 774 K CB 0.260 32.388 32.500 -0.620 0.000 1.192 774 K HN 0.461 nan 8.250 nan 0.000 0.509 775 D N -0.200 120.056 120.400 -0.240 0.000 2.350 775 D HA 0.025 4.665 4.640 -0.000 0.000 0.213 775 D C -0.166 176.136 176.300 0.004 0.000 1.031 775 D CA 0.362 54.226 54.000 -0.227 0.000 0.861 775 D CB 0.141 40.617 40.800 -0.541 0.000 0.926 775 D HN 0.159 nan 8.370 nan 0.000 0.520 776 S N 0.670 116.497 115.700 0.213 0.000 2.531 776 S HA 0.219 4.689 4.470 -0.000 0.000 0.279 776 S C 0.703 175.388 174.600 0.143 0.000 1.305 776 S CA -0.308 58.135 58.200 0.404 0.000 1.058 776 S CB 0.941 64.408 63.200 0.445 0.000 0.899 776 S HN 0.117 nan 8.310 nan 0.000 0.493 777 I N 3.668 124.224 120.570 -0.023 0.000 2.269 777 I HA 0.278 4.448 4.170 -0.000 0.000 0.293 777 I C 0.669 176.605 176.117 -0.301 0.000 1.106 777 I CA 0.120 61.278 61.300 -0.237 0.000 1.248 777 I CB 0.143 37.816 38.000 -0.544 0.000 1.444 777 I HN 0.611 nan 8.210 nan 0.000 0.497 778 T N 2.878 117.235 114.554 -0.329 0.000 2.661 778 T HA 0.273 4.623 4.350 -0.000 0.000 0.305 778 T C -0.994 173.454 174.700 -0.420 0.000 1.535 778 T CA -0.323 61.540 62.100 -0.396 0.000 1.000 778 T CB 1.698 70.277 68.868 -0.481 0.000 1.811 778 T HN 0.273 nan 8.240 nan 0.000 0.471 779 T N 2.197 116.511 114.554 -0.402 0.000 2.788 779 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 779 T C -1.020 173.516 174.700 -0.272 0.000 1.009 779 T CA -0.197 61.739 62.100 -0.274 0.000 0.949 779 T CB 0.024 68.786 68.868 -0.176 0.000 0.946 779 T HN 0.409 nan 8.240 nan 0.000 0.453 780 W N 2.432 123.748 121.300 0.028 0.000 2.345 780 W HA 0.321 4.981 4.660 -0.000 0.000 0.308 780 W C 0.876 177.384 176.519 -0.019 0.000 1.273 780 W CA -0.699 56.682 57.345 0.060 0.000 1.243 780 W CB 0.429 29.993 29.460 0.172 0.000 1.260 780 W HN 0.592 nan 8.180 nan 0.000 0.509 781 E N 4.792 125.108 120.200 0.195 0.000 1.993 781 E HA 0.238 4.587 4.350 -0.000 0.000 0.271 781 E C -0.457 176.195 176.600 0.085 0.000 1.008 781 E CA -0.382 56.072 56.400 0.090 0.000 0.814 781 E CB 0.189 29.919 29.700 0.050 0.000 1.098 781 E HN 0.414 nan 8.360 nan 0.000 0.407 782 I N 4.723 125.345 120.570 0.085 0.000 2.441 782 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 782 I C -0.214 175.928 176.117 0.042 0.000 1.049 782 I CA -0.470 60.849 61.300 0.030 0.000 1.381 782 I CB 0.623 38.655 38.000 0.053 0.000 1.409 782 I HN 0.437 nan 8.210 nan 0.000 0.523 783 L N 7.111 128.331 121.223 -0.005 0.000 2.362 783 L HA 0.784 5.123 4.340 -0.000 0.000 0.275 783 L C -0.425 176.415 176.870 -0.050 0.000 0.998 783 L CA -0.209 54.627 54.840 -0.005 0.000 0.820 783 L CB 1.456 43.520 42.059 0.009 0.000 1.270 783 L HN 0.679 nan 8.230 nan 0.000 0.415 784 A N 4.446 127.238 122.820 -0.047 0.000 2.355 784 A HA 0.881 5.201 4.320 -0.000 0.000 0.324 784 A C -1.449 176.092 177.584 -0.071 0.000 1.117 784 A CA -0.551 51.440 52.037 -0.077 0.000 0.785 784 A CB 1.733 20.688 19.000 -0.075 0.000 1.254 784 A HN 0.543 nan 8.150 nan 0.000 0.453 785 V N 2.228 122.086 119.914 -0.092 0.000 2.524 785 V HA 0.453 4.573 4.120 -0.000 0.000 0.297 785 V C 0.138 176.184 176.094 -0.079 0.000 1.035 785 V CA -0.421 61.832 62.300 -0.078 0.000 0.867 785 V CB 1.554 33.326 31.823 -0.085 0.000 1.004 785 V HN 1.104 nan 8.190 nan 0.000 0.426 786 S N 4.446 120.110 115.700 -0.061 0.000 2.585 786 S HA 0.837 5.307 4.470 -0.000 0.000 0.277 786 S C -0.458 174.113 174.600 -0.048 0.000 1.241 786 S CA -0.654 57.512 58.200 -0.057 0.000 1.041 786 S CB 1.797 64.969 63.200 -0.048 0.000 0.987 786 S HN 0.704 nan 8.310 nan 0.000 0.512 787 M N 3.156 122.728 119.600 -0.047 0.000 1.949 787 M HA 0.404 4.884 4.480 -0.000 0.000 0.234 787 M C -0.546 175.735 176.300 -0.033 0.000 0.855 787 M CA -0.160 55.117 55.300 -0.039 0.000 0.800 787 M CB 1.143 33.718 32.600 -0.041 0.000 1.697 787 M HN 0.761 nan 8.290 nan 0.000 0.357 788 S N 1.195 116.878 115.700 -0.029 0.000 2.499 788 S HA 0.316 4.786 4.470 -0.000 0.000 0.279 788 S C 0.915 175.503 174.600 -0.021 0.000 1.219 788 S CA -0.349 57.836 58.200 -0.025 0.000 1.062 788 S CB 0.629 63.814 63.200 -0.024 0.000 0.978 788 S HN 0.741 nan 8.310 nan 0.000 0.489 789 D N 4.619 125.007 120.400 -0.019 0.000 2.264 789 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 789 D C 1.127 177.419 176.300 -0.014 0.000 0.966 789 D CA 1.203 55.194 54.000 -0.016 0.000 0.864 789 D CB 0.097 40.889 40.800 -0.015 0.000 0.933 789 D HN 0.554 nan 8.370 nan 0.000 0.499 790 K N 0.005 120.396 120.400 -0.015 0.000 2.159 790 K HA 0.077 4.396 4.320 -0.000 0.000 0.210 790 K C 2.083 178.675 176.600 -0.014 0.000 1.026 790 K CA 0.017 56.295 56.287 -0.014 0.000 0.959 790 K CB 0.179 32.671 32.500 -0.014 0.000 0.890 790 K HN -0.149 nan 8.250 nan 0.000 0.459 791 K N 0.441 120.832 120.400 -0.015 0.000 1.965 791 K HA -0.008 4.312 4.320 -0.000 0.000 0.214 791 K C 1.407 177.998 176.600 -0.015 0.000 1.046 791 K CA 1.710 57.988 56.287 -0.015 0.000 0.944 791 K CB -0.417 32.072 32.500 -0.017 0.000 0.726 791 K HN 0.459 nan 8.250 nan 0.000 0.441 792 G N 0.172 108.961 108.800 -0.017 0.000 2.291 792 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.249 792 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.249 792 G C -1.393 173.496 174.900 -0.020 0.000 1.340 792 G CA -0.352 44.738 45.100 -0.017 0.000 1.017 792 G HN 0.225 nan 8.290 nan 0.000 0.470 793 I N 0.028 120.587 120.570 -0.018 0.000 2.440 793 I HA 0.675 4.845 4.170 -0.000 0.000 0.294 793 I C -0.425 175.680 176.117 -0.020 0.000 0.995 793 I CA -0.717 60.570 61.300 -0.021 0.000 1.306 793 I CB 1.248 39.237 38.000 -0.018 0.000 1.407 793 I HN 0.932 nan 8.210 nan 0.000 0.501 794 C N 8.088 127.374 119.300 -0.023 0.000 2.947 794 C HA 0.444 4.904 4.460 -0.000 0.000 0.401 794 C C -0.889 174.086 174.990 -0.025 0.000 1.019 794 C CA -0.596 58.409 59.018 -0.021 0.000 1.230 794 C CB 0.355 28.083 27.740 -0.021 0.000 1.644 794 C HN 0.663 nan 8.230 nan 0.000 0.523 795 V N 4.378 124.280 119.914 -0.020 0.000 2.465 795 V HA 0.870 4.989 4.120 -0.000 0.000 0.279 795 V C 0.696 176.781 176.094 -0.015 0.000 1.045 795 V CA 0.270 62.558 62.300 -0.020 0.000 0.938 795 V CB 0.882 32.697 31.823 -0.013 0.000 0.986 795 V HN 1.413 nan 8.190 nan 0.000 0.467 796 A N 3.485 126.294 122.820 -0.019 0.000 2.296 796 A HA 0.511 4.831 4.320 -0.000 0.000 0.264 796 A C 0.078 177.667 177.584 0.007 0.000 1.097 796 A CA -0.472 51.558 52.037 -0.011 0.000 0.811 796 A CB 0.021 19.007 19.000 -0.023 0.000 1.072 796 A HN 0.935 nan 8.150 nan 0.000 0.495 797 D N 0.990 121.402 120.400 0.020 0.000 2.345 797 D HA 0.415 5.055 4.640 -0.000 0.000 0.247 797 D C -2.306 174.035 176.300 0.068 0.000 1.108 797 D CA -0.793 53.230 54.000 0.038 0.000 0.894 797 D CB 0.076 40.901 40.800 0.042 0.000 1.203 797 D HN 0.174 nan 8.370 nan 0.000 0.430 798 P HA 0.025 nan 4.420 nan 0.000 0.262 798 P C -0.670 176.708 177.300 0.131 0.000 1.199 798 P CA -0.033 63.114 63.100 0.078 0.000 0.763 798 P CB -0.014 31.711 31.700 0.042 0.000 0.790 799 F N 3.707 123.655 119.950 -0.002 0.000 2.332 799 F HA 0.250 4.777 4.527 -0.000 0.000 0.368 799 F C 0.396 176.209 175.800 0.023 0.000 1.110 799 F CA -0.773 57.229 58.000 0.004 0.000 1.087 799 F CB 0.674 39.671 39.000 -0.005 0.000 1.235 799 F HN 0.245 nan 8.300 nan 0.000 0.470 800 E N 4.058 123.976 120.200 -0.470 0.000 2.343 800 E HA 0.449 4.799 4.350 -0.000 0.000 0.269 800 E C -1.081 175.183 176.600 -0.559 0.000 1.047 800 E CA -0.634 55.546 56.400 -0.366 0.000 0.874 800 E CB 2.010 31.575 29.700 -0.225 0.000 1.033 800 E HN 0.368 nan 8.360 nan 0.000 0.409 801 V N 2.933 122.714 119.914 -0.221 0.000 2.462 801 V HA 0.122 4.242 4.120 -0.000 0.000 0.288 801 V C -0.337 175.754 176.094 -0.005 0.000 1.020 801 V CA -0.775 61.462 62.300 -0.105 0.000 0.857 801 V CB 1.707 33.588 31.823 0.097 0.000 1.013 801 V HN 0.681 nan 8.190 nan 0.000 0.431 802 T N 4.557 119.074 114.554 -0.062 0.000 2.814 802 T HA 0.411 4.761 4.350 -0.000 0.000 0.297 802 T C -0.025 174.660 174.700 -0.025 0.000 0.956 802 T CA -0.034 62.024 62.100 -0.071 0.000 1.123 802 T CB 1.087 69.897 68.868 -0.096 0.000 0.902 802 T HN 0.354 nan 8.240 nan 0.000 0.528 803 V N 5.695 125.584 119.914 -0.040 0.000 2.325 803 V HA 0.488 4.608 4.120 -0.000 0.000 0.280 803 V C -0.146 175.881 176.094 -0.111 0.000 1.016 803 V CA -0.645 61.650 62.300 -0.008 0.000 0.818 803 V CB 1.125 33.019 31.823 0.118 0.000 1.019 803 V HN 0.854 nan 8.190 nan 0.000 0.434 804 M N 3.591 123.122 119.600 -0.114 0.000 2.690 804 M HA 0.646 5.125 4.480 -0.000 0.000 0.302 804 M C -1.305 174.934 176.300 -0.102 0.000 1.234 804 M CA -0.537 54.648 55.300 -0.192 0.000 0.853 804 M CB 2.887 35.366 32.600 -0.200 0.000 1.748 804 M HN 0.695 nan 8.290 nan 0.000 0.469 805 Q N 0.754 120.500 119.800 -0.089 0.000 2.345 805 Q HA 0.240 4.580 4.340 -0.000 0.000 0.275 805 Q C -0.746 175.439 176.000 0.309 0.000 1.063 805 Q CA -0.686 55.180 55.803 0.104 0.000 0.819 805 Q CB 2.059 30.868 28.738 0.117 0.000 1.356 805 Q HN 0.788 nan 8.270 nan 0.000 0.418 806 D N 1.630 122.207 120.400 0.294 0.000 2.103 806 D HA -0.111 4.528 4.640 -0.000 0.000 0.190 806 D C -0.029 176.559 176.300 0.481 0.000 0.997 806 D CA 1.645 55.855 54.000 0.350 0.000 0.833 806 D CB 0.049 41.004 40.800 0.258 0.000 0.961 806 D HN 0.357 nan 8.370 nan 0.000 0.447 807 F N 0.449 120.571 119.950 0.287 0.000 2.493 807 F HA 0.454 4.980 4.527 -0.000 0.000 0.329 807 F C -1.208 174.788 175.800 0.326 0.000 1.126 807 F CA -1.131 56.997 58.000 0.213 0.000 0.937 807 F CB 1.020 40.079 39.000 0.098 0.000 1.146 807 F HN -0.121 nan 8.300 nan 0.000 0.442 808 F N 4.711 124.306 119.950 -0.591 0.000 2.741 808 F HA 0.733 5.260 4.527 -0.000 0.000 0.313 808 F C -2.108 173.449 175.800 -0.406 0.000 1.153 808 F CA -1.707 56.049 58.000 -0.407 0.000 0.931 808 F CB 1.010 39.965 39.000 -0.075 0.000 1.335 808 F HN 0.242 nan 8.300 nan 0.000 0.460 809 I N 1.518 122.071 120.570 -0.029 0.000 2.404 809 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 809 I C -1.186 175.047 176.117 0.193 0.000 0.992 809 I CA -0.502 60.779 61.300 -0.031 0.000 1.149 809 I CB 1.670 39.657 38.000 -0.022 0.000 1.315 809 I HN 0.565 nan 8.210 nan 0.000 0.446 810 D N 6.671 127.182 120.400 0.186 0.000 2.479 810 D HA 0.240 4.879 4.640 -0.000 0.000 0.247 810 D C -0.977 175.372 176.300 0.081 0.000 1.119 810 D CA -0.505 53.627 54.000 0.221 0.000 0.922 810 D CB 0.754 41.824 40.800 0.449 0.000 1.014 810 D HN 0.190 nan 8.370 nan 0.000 0.510 811 L N 4.036 125.259 121.223 -0.000 0.000 2.325 811 L HA 0.383 4.722 4.340 -0.000 0.000 0.284 811 L C -0.252 176.585 176.870 -0.056 0.000 1.089 811 L CA 0.076 54.896 54.840 -0.033 0.000 0.836 811 L CB 0.215 42.233 42.059 -0.067 0.000 1.184 811 L HN 0.204 nan 8.230 nan 0.000 0.444 812 R N 5.496 125.985 120.500 -0.019 0.000 2.310 812 R HA 0.595 4.935 4.340 -0.000 0.000 0.324 812 R C -1.350 174.942 176.300 -0.015 0.000 0.955 812 R CA -0.889 55.200 56.100 -0.018 0.000 0.830 812 R CB 1.292 31.598 30.300 0.010 0.000 1.154 812 R HN 0.402 nan 8.270 nan 0.000 0.458 813 L N 3.829 125.038 121.223 -0.023 0.000 2.342 813 L HA 0.525 4.864 4.340 -0.000 0.000 0.271 813 L C -1.904 174.974 176.870 0.013 0.000 1.008 813 L CA -2.056 52.777 54.840 -0.012 0.000 0.818 813 L CB 1.004 43.045 42.059 -0.031 0.000 1.296 813 L HN 0.432 nan 8.230 nan 0.000 0.427 814 P HA 0.015 nan 4.420 nan 0.000 0.271 814 P C 0.268 177.621 177.300 0.088 0.000 1.233 814 P CA -0.155 62.981 63.100 0.061 0.000 0.789 814 P CB 0.372 32.107 31.700 0.058 0.000 0.951 815 Y N 0.706 121.011 120.300 0.010 0.000 2.181 815 Y HA -0.118 4.432 4.550 -0.000 0.000 0.288 815 Y C 0.611 176.527 175.900 0.026 0.000 1.146 815 Y CA 1.844 59.954 58.100 0.016 0.000 1.164 815 Y CB 0.163 38.631 38.460 0.013 0.000 0.982 815 Y HN 0.405 nan 8.280 nan 0.000 0.515 816 S N -0.361 115.401 115.700 0.102 0.000 2.535 816 S HA 0.590 5.060 4.470 -0.000 0.000 0.272 816 S C -1.253 173.390 174.600 0.072 0.000 1.149 816 S CA -0.441 57.777 58.200 0.031 0.000 0.888 816 S CB 1.411 64.665 63.200 0.090 0.000 1.110 816 S HN 0.564 nan 8.310 nan 0.000 0.463 817 V N -0.165 119.781 119.914 0.053 0.000 2.604 817 V HA 0.844 4.964 4.120 -0.000 0.000 0.305 817 V C -0.132 175.992 176.094 0.050 0.000 1.043 817 V CA -0.967 61.372 62.300 0.065 0.000 0.888 817 V CB 1.266 33.141 31.823 0.087 0.000 0.995 817 V HN 0.843 nan 8.190 nan 0.000 0.429 818 V N 4.147 124.091 119.914 0.050 0.000 2.637 818 V HA 0.275 4.395 4.120 -0.000 0.000 0.296 818 V C 0.951 177.056 176.094 0.017 0.000 1.046 818 V CA -0.168 62.151 62.300 0.032 0.000 1.066 818 V CB 0.793 32.640 31.823 0.039 0.000 0.968 818 V HN 1.089 nan 8.190 nan 0.000 0.483 819 R N 4.500 124.993 120.500 -0.012 0.000 2.643 819 R HA 0.050 4.390 4.340 -0.000 0.000 0.270 819 R C 0.811 177.104 176.300 -0.012 0.000 1.061 819 R CA 0.276 56.358 56.100 -0.030 0.000 1.107 819 R CB 0.046 30.309 30.300 -0.062 0.000 0.999 819 R HN 0.877 nan 8.270 nan 0.000 0.460 820 N N 0.447 119.139 118.700 -0.013 0.000 2.936 820 N HA -0.189 4.551 4.740 -0.000 0.000 0.236 820 N C -1.365 174.150 175.510 0.008 0.000 0.930 820 N CA 1.699 54.748 53.050 -0.001 0.000 0.966 820 N CB -0.818 37.671 38.487 0.005 0.000 1.090 820 N HN 0.719 nan 8.380 nan 0.000 0.592 821 E N 0.796 121.008 120.200 0.020 0.000 2.156 821 E HA 0.177 4.527 4.350 -0.000 0.000 0.279 821 E C 0.085 176.704 176.600 0.031 0.000 0.965 821 E CA -0.401 56.020 56.400 0.035 0.000 0.789 821 E CB 1.322 31.056 29.700 0.057 0.000 1.098 821 E HN 0.140 nan 8.360 nan 0.000 0.397 822 Q N 3.537 123.330 119.800 -0.011 0.000 2.296 822 Q HA 0.189 4.529 4.340 -0.000 0.000 0.263 822 Q C -0.385 175.647 176.000 0.054 0.000 1.026 822 Q CA -0.391 55.349 55.803 -0.106 0.000 0.912 822 Q CB 0.509 29.010 28.738 -0.396 0.000 1.198 822 Q HN 0.453 nan 8.270 nan 0.000 0.407 823 V N 0.811 120.791 119.914 0.110 0.000 3.240 823 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 823 V C -0.841 175.406 176.094 0.256 0.000 1.227 823 V CA -0.887 61.558 62.300 0.241 0.000 1.047 823 V CB 1.892 33.803 31.823 0.146 0.000 1.203 823 V HN 0.856 nan 8.190 nan 0.000 0.471 824 E N 0.851 121.183 120.200 0.220 0.000 2.302 824 E HA 0.499 4.849 4.350 -0.000 0.000 0.263 824 E C -1.050 175.614 176.600 0.108 0.000 0.897 824 E CA -0.734 55.775 56.400 0.182 0.000 0.809 824 E CB 1.735 31.562 29.700 0.213 0.000 1.270 824 E HN 0.884 nan 8.360 nan 0.000 0.410 825 I N 1.125 121.753 120.570 0.096 0.000 2.499 825 I HA 0.580 4.750 4.170 -0.000 0.000 0.296 825 I C -0.410 175.774 176.117 0.111 0.000 0.992 825 I CA -0.961 60.380 61.300 0.069 0.000 1.297 825 I CB 1.073 39.081 38.000 0.012 0.000 1.410 825 I HN 0.224 nan 8.210 nan 0.000 0.507 826 R N 4.925 125.472 120.500 0.077 0.000 2.310 826 R HA 0.600 4.940 4.340 -0.000 0.000 0.324 826 R C -0.876 175.470 176.300 0.078 0.000 0.955 826 R CA -0.810 55.337 56.100 0.078 0.000 0.830 826 R CB 1.592 31.916 30.300 0.040 0.000 1.154 826 R HN 0.857 nan 8.270 nan 0.000 0.458 827 A N 3.639 126.534 122.820 0.126 0.000 2.322 827 A HA 0.424 4.744 4.320 -0.000 0.000 0.327 827 A C -0.090 177.507 177.584 0.022 0.000 1.394 827 A CA -0.625 51.469 52.037 0.095 0.000 0.921 827 A CB 0.631 19.739 19.000 0.181 0.000 1.153 827 A HN 0.407 nan 8.150 nan 0.000 0.523 828 V N 4.063 123.953 119.914 -0.039 0.000 2.406 828 V HA 0.221 4.341 4.120 -0.000 0.000 0.272 828 V C -0.391 175.528 176.094 -0.291 0.000 1.043 828 V CA -0.240 61.942 62.300 -0.195 0.000 0.915 828 V CB 0.873 32.532 31.823 -0.273 0.000 0.988 828 V HN 0.686 nan 8.190 nan 0.000 0.466 829 L N 6.664 127.685 121.223 -0.338 0.000 2.255 829 L HA 0.450 4.790 4.340 -0.000 0.000 0.289 829 L C -0.396 176.152 176.870 -0.536 0.000 1.046 829 L CA 0.027 54.641 54.840 -0.376 0.000 0.816 829 L CB 0.335 42.304 42.059 -0.150 0.000 1.197 829 L HN 0.459 nan 8.230 nan 0.000 0.427 830 Y N 2.090 121.977 120.300 -0.689 0.000 2.310 830 Y HA 0.394 4.944 4.550 -0.000 0.000 0.326 830 Y C 0.716 176.320 175.900 -0.494 0.000 1.151 830 Y CA -0.230 57.451 58.100 -0.700 0.000 1.195 830 Y CB 1.101 38.956 38.460 -1.007 0.000 1.210 830 Y HN 0.525 nan 8.280 nan 0.000 0.483 831 N N 2.185 120.760 118.700 -0.210 0.000 2.664 831 N HA 0.145 4.885 4.740 -0.000 0.000 0.257 831 N C -1.384 174.077 175.510 -0.081 0.000 1.108 831 N CA -0.530 52.520 53.050 -0.001 0.000 0.822 831 N CB 0.000 38.522 38.487 0.059 0.000 1.199 831 N HN 0.509 nan 8.380 nan 0.000 0.529 832 Y N 0.996 121.390 120.300 0.156 0.000 2.495 832 Y HA 0.303 4.853 4.550 -0.000 0.000 0.293 832 Y C 0.655 176.623 175.900 0.114 0.000 1.186 832 Y CA -0.245 57.940 58.100 0.140 0.000 1.266 832 Y CB 0.109 38.668 38.460 0.165 0.000 1.101 832 Y HN 0.153 nan 8.280 nan 0.000 0.517 833 R N 0.855 121.471 120.500 0.194 0.000 2.449 833 R HA -0.042 4.298 4.340 -0.000 0.000 0.296 833 R C 1.339 177.701 176.300 0.105 0.000 1.047 833 R CA -0.095 56.085 56.100 0.133 0.000 1.018 833 R CB 0.709 31.057 30.300 0.080 0.000 0.962 833 R HN 0.264 nan 8.270 nan 0.000 0.428 834 Q N 3.016 122.876 119.800 0.101 0.000 1.998 834 Q HA -0.243 4.096 4.340 -0.000 0.000 0.209 834 Q C -0.339 175.698 176.000 0.061 0.000 1.002 834 Q CA 2.261 58.114 55.803 0.083 0.000 0.858 834 Q CB 0.037 28.819 28.738 0.072 0.000 0.932 834 Q HN 0.753 nan 8.270 nan 0.000 0.416 835 N N -0.478 118.252 118.700 0.050 0.000 2.750 835 N HA 0.332 5.072 4.740 -0.000 0.000 0.253 835 N C -1.793 173.735 175.510 0.029 0.000 1.408 835 N CA -0.536 52.536 53.050 0.036 0.000 0.780 835 N CB 1.328 39.835 38.487 0.033 0.000 1.191 835 N HN 0.062 nan 8.380 nan 0.000 0.511 836 Q N 0.836 120.648 119.800 0.021 0.000 2.487 836 Q HA 0.135 4.474 4.340 -0.000 0.000 0.234 836 Q C -1.476 174.516 176.000 -0.013 0.000 0.828 836 Q CA -0.439 55.368 55.803 0.006 0.000 0.907 836 Q CB 0.901 29.639 28.738 -0.001 0.000 1.462 836 Q HN 0.550 nan 8.270 nan 0.000 0.442 837 E N 3.788 123.982 120.200 -0.010 0.000 2.404 837 E HA 0.438 4.788 4.350 -0.000 0.000 0.261 837 E C -0.747 175.831 176.600 -0.036 0.000 1.074 837 E CA -0.387 56.002 56.400 -0.019 0.000 0.917 837 E CB 1.046 30.738 29.700 -0.014 0.000 0.965 837 E HN 0.532 nan 8.360 nan 0.000 0.433 838 L N 1.971 123.168 121.223 -0.045 0.000 2.362 838 L HA 0.381 4.721 4.340 -0.000 0.000 0.275 838 L C -0.120 176.736 176.870 -0.023 0.000 0.998 838 L CA -0.983 53.812 54.840 -0.075 0.000 0.820 838 L CB 1.923 43.876 42.059 -0.176 0.000 1.270 838 L HN 0.611 nan 8.230 nan 0.000 0.415 839 K N 3.215 123.640 120.400 0.042 0.000 2.257 839 K HA 0.466 4.786 4.320 -0.000 0.000 0.270 839 K C -1.102 175.608 176.600 0.182 0.000 1.098 839 K CA -0.385 55.950 56.287 0.081 0.000 0.943 839 K CB 0.714 33.253 32.500 0.066 0.000 1.316 839 K HN 0.377 nan 8.250 nan 0.000 0.447 840 V N 3.775 123.744 119.914 0.092 0.000 2.612 840 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 840 V C 0.140 176.328 176.094 0.157 0.000 1.046 840 V CA -0.876 61.480 62.300 0.093 0.000 0.946 840 V CB 1.543 33.415 31.823 0.082 0.000 1.003 840 V HN 0.672 nan 8.190 nan 0.000 0.459 841 R N 2.573 123.163 120.500 0.150 0.000 2.494 841 R HA 0.501 4.841 4.340 -0.000 0.000 0.284 841 R C -0.980 175.379 176.300 0.097 0.000 1.525 841 R CA -0.266 55.916 56.100 0.137 0.000 1.460 841 R CB 1.361 31.765 30.300 0.175 0.000 1.134 841 R HN 0.626 nan 8.270 nan 0.000 0.592 842 V N 2.261 122.242 119.914 0.112 0.000 2.811 842 V HA 0.250 4.370 4.120 -0.000 0.000 0.302 842 V C -0.321 175.855 176.094 0.137 0.000 1.063 842 V CA 0.348 62.730 62.300 0.137 0.000 1.088 842 V CB 1.453 33.381 31.823 0.175 0.000 0.982 842 V HN 0.798 nan 8.190 nan 0.000 0.485 843 E N 4.318 124.594 120.200 0.126 0.000 2.356 843 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 843 E C -2.017 174.614 176.600 0.051 0.000 0.904 843 E CA -0.994 55.476 56.400 0.117 0.000 0.757 843 E CB 2.016 31.761 29.700 0.075 0.000 1.232 843 E HN 0.644 nan 8.360 nan 0.000 0.442 844 L N 4.782 126.035 121.223 0.050 0.000 2.280 844 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 844 L C -1.429 175.430 176.870 -0.018 0.000 1.023 844 L CA -0.491 54.270 54.840 -0.133 0.000 0.819 844 L CB 0.777 42.623 42.059 -0.354 0.000 1.212 844 L HN 0.547 nan 8.230 nan 0.000 0.420 845 L N 4.478 125.681 121.223 -0.034 0.000 2.483 845 L HA 0.177 4.517 4.340 -0.000 0.000 0.276 845 L C 0.326 177.228 176.870 0.053 0.000 1.213 845 L CA 0.354 55.212 54.840 0.030 0.000 0.843 845 L CB -0.105 41.967 42.059 0.021 0.000 1.107 845 L HN 0.662 nan 8.230 nan 0.000 0.487 846 H N 2.368 121.452 119.070 0.024 0.000 2.690 846 H HA 0.379 4.934 4.556 -0.000 0.000 0.365 846 H C -0.408 174.957 175.328 0.062 0.000 1.142 846 H CA 0.111 56.184 56.048 0.042 0.000 1.417 846 H CB 0.562 30.352 29.762 0.047 0.000 1.446 846 H HN 0.581 nan 8.280 nan 0.000 0.599 847 N N 4.002 122.288 118.700 -0.689 0.000 2.578 847 N HA 0.172 4.912 4.740 -0.000 0.000 0.282 847 N C -2.482 172.791 175.510 -0.395 0.000 1.119 847 N CA -1.840 51.015 53.050 -0.326 0.000 0.948 847 N CB 1.746 40.272 38.487 0.065 0.000 1.546 847 N HN 0.344 nan 8.380 nan 0.000 0.525 848 P HA -0.050 nan 4.420 nan 0.000 0.220 848 P C 0.751 177.990 177.300 -0.102 0.000 1.144 848 P CA 1.067 64.123 63.100 -0.073 0.000 0.800 848 P CB 0.307 32.032 31.700 0.042 0.000 0.772 849 A N -2.598 120.127 122.820 -0.157 0.000 2.119 849 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 849 A C 0.659 177.880 177.584 -0.606 0.000 1.153 849 A CA 0.877 52.696 52.037 -0.363 0.000 0.692 849 A CB -0.722 18.009 19.000 -0.449 0.000 0.799 849 A HN 0.089 nan 8.150 nan 0.000 0.458 850 F N -3.236 116.645 119.950 -0.116 0.000 2.618 850 F HA 0.537 5.064 4.527 -0.000 0.000 0.332 850 F C 0.028 175.762 175.800 -0.109 0.000 1.061 850 F CA -1.178 56.759 58.000 -0.105 0.000 0.974 850 F CB 1.501 40.433 39.000 -0.113 0.000 1.310 850 F HN -0.168 nan 8.300 nan 0.000 0.491 851 c N 2.672 121.348 118.600 0.126 0.000 2.521 851 c HA 0.707 5.277 4.570 -0.000 0.000 0.291 851 c C -0.118 173.977 174.090 0.009 0.000 1.074 851 c CA -0.358 55.996 56.329 0.041 0.000 1.495 851 c CB -1.587 40.929 42.510 0.010 0.000 1.862 851 c HN 0.823 nan 8.230 nan 0.000 0.418 852 S N 4.239 119.937 115.700 -0.004 0.000 2.753 852 S HA 0.590 5.060 4.470 -0.000 0.000 0.302 852 S C 0.581 175.143 174.600 -0.062 0.000 1.104 852 S CA -0.737 57.422 58.200 -0.068 0.000 0.968 852 S CB 0.665 63.805 63.200 -0.100 0.000 1.278 852 S HN 0.588 nan 8.310 nan 0.000 0.549 853 L N 0.503 121.632 121.223 -0.157 0.000 2.627 853 L HA 0.328 4.668 4.340 -0.000 0.000 0.233 853 L C 0.865 177.779 176.870 0.074 0.000 1.144 853 L CA 0.098 54.903 54.840 -0.058 0.000 0.892 853 L CB -0.653 41.366 42.059 -0.066 0.000 1.039 853 L HN 0.719 nan 8.230 nan 0.000 0.442 854 A N 0.303 123.181 122.820 0.096 0.000 2.258 854 A HA 0.568 4.888 4.320 -0.000 0.000 0.316 854 A C 0.442 178.191 177.584 0.274 0.000 1.279 854 A CA -0.387 51.764 52.037 0.190 0.000 0.876 854 A CB 0.410 19.536 19.000 0.209 0.000 1.170 854 A HN 0.233 nan 8.150 nan 0.000 0.520 855 T N -1.266 113.377 114.554 0.148 0.000 2.855 855 T HA 0.463 4.813 4.350 -0.000 0.000 0.275 855 T C 1.252 175.713 174.700 -0.399 0.000 1.022 855 T CA 0.445 62.534 62.100 -0.017 0.000 0.977 855 T CB 0.312 69.160 68.868 -0.034 0.000 1.559 855 T HN 0.836 nan 8.240 nan 0.000 0.600 856 T N -2.383 111.836 114.554 -0.559 0.000 3.113 856 T HA 0.256 4.606 4.350 -0.000 0.000 0.256 856 T C 1.118 175.719 174.700 -0.165 0.000 1.131 856 T CA 0.171 62.008 62.100 -0.438 0.000 1.074 856 T CB -0.283 68.386 68.868 -0.330 0.000 0.944 856 T HN 0.651 nan 8.240 nan 0.000 0.516 857 K N -0.451 119.884 120.400 -0.108 0.000 2.491 857 K HA 0.299 4.619 4.320 -0.000 0.000 0.211 857 K C 0.685 177.276 176.600 -0.016 0.000 1.210 857 K CA -0.355 55.905 56.287 -0.044 0.000 1.003 857 K CB 1.140 33.620 32.500 -0.032 0.000 1.009 857 K HN 0.141 nan 8.250 nan 0.000 0.577 858 R N 1.360 121.856 120.500 -0.007 0.000 2.664 858 R HA 0.363 4.703 4.340 -0.000 0.000 0.286 858 R C -1.042 175.297 176.300 0.064 0.000 0.967 858 R CA -0.579 55.540 56.100 0.032 0.000 0.933 858 R CB 1.228 31.554 30.300 0.044 0.000 1.146 858 R HN -0.091 nan 8.270 nan 0.000 0.468 859 R N 2.630 123.178 120.500 0.079 0.000 2.310 859 R HA 0.140 4.480 4.340 -0.000 0.000 0.316 859 R C -0.672 175.709 176.300 0.134 0.000 1.004 859 R CA -0.635 55.526 56.100 0.102 0.000 0.900 859 R CB 1.033 31.375 30.300 0.069 0.000 1.152 859 R HN 0.542 nan 8.270 nan 0.000 0.513 860 H N 5.400 124.526 119.070 0.093 0.000 3.232 860 H HA 0.022 4.577 4.556 -0.000 0.000 0.254 860 H C -0.848 174.567 175.328 0.145 0.000 1.213 860 H CA 0.462 56.580 56.048 0.117 0.000 1.503 860 H CB 0.475 30.321 29.762 0.141 0.000 1.563 860 H HN 0.623 nan 8.280 nan 0.000 0.490 861 Q N 3.713 123.412 119.800 -0.169 0.000 2.379 861 Q HA 0.422 4.762 4.340 -0.000 0.000 0.278 861 Q C -1.508 174.403 176.000 -0.147 0.000 1.068 861 Q CA -1.268 54.478 55.803 -0.095 0.000 0.816 861 Q CB 2.152 30.899 28.738 0.015 0.000 1.387 861 Q HN 0.390 nan 8.270 nan 0.000 0.413 862 Q N 0.417 120.152 119.800 -0.108 0.000 2.359 862 Q HA 0.630 4.970 4.340 -0.000 0.000 0.275 862 Q C -1.120 174.839 176.000 -0.068 0.000 1.082 862 Q CA -0.545 55.182 55.803 -0.126 0.000 0.849 862 Q CB 2.537 31.182 28.738 -0.155 0.000 1.377 862 Q HN 0.671 nan 8.270 nan 0.000 0.452 863 T N 1.006 115.483 114.554 -0.128 0.000 2.934 863 T HA 0.567 4.917 4.350 -0.000 0.000 0.328 863 T C -0.737 173.886 174.700 -0.128 0.000 1.068 863 T CA -0.596 61.455 62.100 -0.082 0.000 1.018 863 T CB 0.197 69.013 68.868 -0.086 0.000 1.009 863 T HN 0.455 nan 8.240 nan 0.000 0.471 864 V N 0.822 120.701 119.914 -0.059 0.000 3.103 864 V HA 0.892 5.012 4.120 -0.000 0.000 0.318 864 V C -0.300 175.774 176.094 -0.034 0.000 1.114 864 V CA -0.872 61.393 62.300 -0.058 0.000 1.020 864 V CB 2.150 33.948 31.823 -0.042 0.000 1.085 864 V HN 0.595 nan 8.190 nan 0.000 0.446 865 T N 3.318 117.847 114.554 -0.042 0.000 2.833 865 T HA 0.590 4.940 4.350 -0.000 0.000 0.297 865 T C -0.227 174.453 174.700 -0.033 0.000 1.015 865 T CA -0.006 62.074 62.100 -0.033 0.000 0.963 865 T CB 0.419 69.262 68.868 -0.042 0.000 0.955 865 T HN 0.604 nan 8.240 nan 0.000 0.449 866 I N 5.677 126.237 120.570 -0.017 0.000 2.352 866 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 866 I C -2.080 174.021 176.117 -0.026 0.000 1.036 866 I CA -2.414 58.873 61.300 -0.021 0.000 1.336 866 I CB 0.909 38.916 38.000 0.012 0.000 1.407 866 I HN 0.254 nan 8.210 nan 0.000 0.497 867 P HA 0.109 nan 4.420 nan 0.000 0.270 867 P C -2.486 174.801 177.300 -0.021 0.000 1.223 867 P CA -1.007 62.074 63.100 -0.032 0.000 0.785 867 P CB -0.230 31.444 31.700 -0.043 0.000 0.923 868 P HA 0.032 nan 4.420 nan 0.000 0.268 868 P C -0.490 176.815 177.300 0.008 0.000 1.204 868 P CA 0.266 63.370 63.100 0.006 0.000 0.768 868 P CB 0.044 31.753 31.700 0.015 0.000 0.842 869 K N -0.083 120.321 120.400 0.007 0.000 3.257 869 K HA -0.108 4.211 4.320 -0.000 0.000 0.270 869 K C -0.037 176.539 176.600 -0.039 0.000 0.984 869 K CA 0.735 57.022 56.287 -0.001 0.000 0.739 869 K CB -2.010 30.526 32.500 0.060 0.000 1.351 869 K HN 0.772 nan 8.250 nan 0.000 0.463 870 S N -1.950 113.685 115.700 -0.109 0.000 2.727 870 S HA 0.745 5.214 4.470 -0.000 0.000 0.278 870 S C -0.752 173.740 174.600 -0.181 0.000 1.186 870 S CA -0.341 57.810 58.200 -0.081 0.000 0.836 870 S CB 2.316 65.522 63.200 0.009 0.000 1.186 870 S HN 0.467 nan 8.310 nan 0.000 0.499 871 S N -0.113 115.483 115.700 -0.173 0.000 2.618 871 S HA 0.858 5.328 4.470 -0.000 0.000 0.277 871 S C -1.619 172.838 174.600 -0.238 0.000 1.138 871 S CA -0.792 57.201 58.200 -0.345 0.000 0.844 871 S CB 1.468 64.242 63.200 -0.710 0.000 1.127 871 S HN 1.487 nan 8.310 nan 0.000 0.474 872 L N 1.162 122.223 121.223 -0.270 0.000 2.436 872 L HA 0.748 5.088 4.340 -0.000 0.000 0.268 872 L C -0.511 176.257 176.870 -0.171 0.000 0.974 872 L CA -0.161 54.579 54.840 -0.166 0.000 0.826 872 L CB 2.162 44.158 42.059 -0.106 0.000 1.291 872 L HN 0.921 nan 8.230 nan 0.000 0.406 873 S N 3.644 119.272 115.700 -0.120 0.000 2.475 873 S HA 0.682 5.152 4.470 -0.000 0.000 0.281 873 S C -0.793 173.770 174.600 -0.062 0.000 1.198 873 S CA -0.473 57.674 58.200 -0.088 0.000 1.063 873 S CB 0.594 63.757 63.200 -0.061 0.000 0.972 873 S HN 0.467 nan 8.310 nan 0.000 0.486 874 V N 8.624 128.511 119.914 -0.045 0.000 2.294 874 V HA 0.372 4.492 4.120 -0.000 0.000 0.272 874 V C -2.252 173.747 176.094 -0.157 0.000 1.027 874 V CA -1.975 60.266 62.300 -0.098 0.000 0.823 874 V CB 0.866 32.660 31.823 -0.048 0.000 1.030 874 V HN 0.719 nan 8.190 nan 0.000 0.457 875 P HA 0.237 nan 4.420 nan 0.000 0.269 875 P C -1.255 175.853 177.300 -0.320 0.000 1.209 875 P CA 0.121 63.143 63.100 -0.128 0.000 0.776 875 P CB 0.237 31.898 31.700 -0.064 0.000 0.876 876 Y N 0.426 120.757 120.300 0.051 0.000 2.315 876 Y HA 0.294 4.843 4.550 -0.000 0.000 0.324 876 Y C -0.207 175.690 175.900 -0.004 0.000 1.062 876 Y CA -0.985 57.129 58.100 0.024 0.000 1.159 876 Y CB 1.526 39.983 38.460 -0.005 0.000 1.145 876 Y HN 0.105 nan 8.280 nan 0.000 0.442 877 V N 4.356 124.332 119.914 0.103 0.000 2.383 877 V HA 0.787 4.907 4.120 -0.000 0.000 0.275 877 V C -0.103 175.970 176.094 -0.036 0.000 1.036 877 V CA -0.531 61.788 62.300 0.032 0.000 0.889 877 V CB 0.454 32.255 31.823 -0.035 0.000 0.985 877 V HN 0.666 nan 8.190 nan 0.000 0.459 878 I N 2.368 122.923 120.570 -0.025 0.000 3.145 878 I HA 0.919 5.089 4.170 -0.000 0.000 0.313 878 I C -1.118 175.018 176.117 0.033 0.000 1.122 878 I CA -1.310 59.984 61.300 -0.010 0.000 0.987 878 I CB 2.645 40.618 38.000 -0.044 0.000 1.236 878 I HN 0.339 nan 8.210 nan 0.000 0.453 879 V N 2.205 122.179 119.914 0.101 0.000 2.445 879 V HA 0.358 4.478 4.120 -0.000 0.000 0.283 879 V C -2.534 173.625 176.094 0.108 0.000 1.014 879 V CA -1.384 60.961 62.300 0.075 0.000 0.852 879 V CB 1.382 33.201 31.823 -0.006 0.000 1.021 879 V HN 0.615 nan 8.190 nan 0.000 0.435 880 P HA 0.146 nan 4.420 nan 0.000 0.257 880 P C 0.778 177.986 177.300 -0.153 0.000 1.189 880 P CA 0.478 63.501 63.100 -0.128 0.000 0.780 880 P CB 0.552 32.223 31.700 -0.048 0.000 0.772 881 L N 3.203 124.290 121.223 -0.226 0.000 2.249 881 L HA 0.082 4.421 4.340 -0.000 0.000 0.207 881 L C 1.193 177.985 176.870 -0.130 0.000 1.090 881 L CA 0.939 55.702 54.840 -0.128 0.000 0.802 881 L CB -0.391 41.612 42.059 -0.094 0.000 0.947 881 L HN 0.351 nan 8.230 nan 0.000 0.453 882 K N -0.369 119.911 120.400 -0.199 0.000 2.426 882 K HA 0.463 4.783 4.320 -0.000 0.000 0.251 882 K C -0.160 176.337 176.600 -0.172 0.000 0.941 882 K CA -0.706 55.486 56.287 -0.158 0.000 0.808 882 K CB 1.643 34.060 32.500 -0.139 0.000 1.265 882 K HN -0.118 nan 8.250 nan 0.000 0.432 883 T N -1.034 113.443 114.554 -0.128 0.000 2.681 883 T HA 0.526 4.876 4.350 -0.000 0.000 0.333 883 T C 0.852 175.490 174.700 -0.104 0.000 1.049 883 T CA 0.272 62.303 62.100 -0.115 0.000 1.002 883 T CB -0.037 68.766 68.868 -0.107 0.000 1.161 883 T HN 1.298 nan 8.240 nan 0.000 0.519 884 G N -0.536 108.218 108.800 -0.077 0.000 2.757 884 G HA2 0.039 3.999 3.960 -0.000 0.000 0.638 884 G HA3 0.039 3.999 3.960 -0.000 0.000 0.638 884 G C -0.804 174.061 174.900 -0.058 0.000 1.344 884 G CA -0.362 44.702 45.100 -0.059 0.000 0.855 884 G HN 1.295 nan 8.290 nan 0.000 0.537 885 L N 1.204 122.402 121.223 -0.042 0.000 2.363 885 L HA 0.480 4.819 4.340 -0.000 0.000 0.286 885 L C 0.841 177.704 176.870 -0.011 0.000 1.106 885 L CA -0.227 54.595 54.840 -0.029 0.000 0.859 885 L CB 0.465 42.509 42.059 -0.025 0.000 1.223 885 L HN 0.632 nan 8.230 nan 0.000 0.446 886 Q N 3.248 123.055 119.800 0.011 0.000 2.162 886 Q HA 0.388 4.728 4.340 -0.000 0.000 0.197 886 Q C -0.615 175.475 176.000 0.150 0.000 1.013 886 Q CA -0.382 55.457 55.803 0.059 0.000 1.040 886 Q CB 1.015 29.742 28.738 -0.017 0.000 1.114 886 Q HN 0.667 nan 8.270 nan 0.000 0.547 887 E N 0.056 120.393 120.200 0.229 0.000 2.246 887 E HA 0.480 4.830 4.350 -0.000 0.000 0.266 887 E C -1.641 175.027 176.600 0.114 0.000 0.880 887 E CA -0.459 56.028 56.400 0.144 0.000 0.762 887 E CB 1.657 31.410 29.700 0.089 0.000 1.180 887 E HN 0.215 nan 8.360 nan 0.000 0.416 888 V N 4.069 123.970 119.914 -0.022 0.000 2.448 888 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 888 V C -0.517 175.512 176.094 -0.109 0.000 1.025 888 V CA -0.627 61.570 62.300 -0.173 0.000 0.859 888 V CB 1.641 33.279 31.823 -0.309 0.000 0.988 888 V HN 0.748 nan 8.190 nan 0.000 0.431 889 E N 3.492 123.621 120.200 -0.117 0.000 2.275 889 E HA 0.722 5.072 4.350 -0.000 0.000 0.270 889 E C -1.622 174.915 176.600 -0.105 0.000 0.882 889 E CA -0.619 55.740 56.400 -0.068 0.000 0.758 889 E CB 2.408 32.097 29.700 -0.017 0.000 1.195 889 E HN 0.608 nan 8.360 nan 0.000 0.419 890 V N 0.863 120.729 119.914 -0.080 0.000 2.638 890 V HA 0.661 4.780 4.120 -0.000 0.000 0.306 890 V C -0.872 175.220 176.094 -0.004 0.000 1.052 890 V CA -0.892 61.357 62.300 -0.086 0.000 0.885 890 V CB 1.535 33.270 31.823 -0.145 0.000 0.999 890 V HN 0.587 nan 8.190 nan 0.000 0.424 891 K N 2.896 123.307 120.400 0.018 0.000 2.281 891 K HA 0.982 5.302 4.320 -0.000 0.000 0.242 891 K C -0.653 175.998 176.600 0.085 0.000 0.971 891 K CA -0.587 55.732 56.287 0.053 0.000 0.834 891 K CB 2.485 35.009 32.500 0.040 0.000 1.181 891 K HN 1.213 nan 8.250 nan 0.000 0.435 892 A N 0.716 123.610 122.820 0.123 0.000 2.540 892 A HA 0.729 5.049 4.320 -0.000 0.000 0.297 892 A C -1.772 175.910 177.584 0.164 0.000 1.056 892 A CA -0.616 51.522 52.037 0.168 0.000 0.700 892 A CB 1.641 20.801 19.000 0.268 0.000 1.280 892 A HN 0.689 nan 8.150 nan 0.000 0.398 893 A N 0.946 123.793 122.820 0.045 0.000 2.413 893 A HA 0.882 5.202 4.320 -0.000 0.000 0.307 893 A C -0.098 177.394 177.584 -0.154 0.000 1.087 893 A CA -0.092 51.901 52.037 -0.073 0.000 0.750 893 A CB 1.282 20.202 19.000 -0.133 0.000 1.296 893 A HN 2.241 nan 8.150 nan 0.000 0.423 894 V N -1.156 118.624 119.914 -0.225 0.000 2.713 894 V HA 0.698 4.818 4.120 -0.000 0.000 0.307 894 V C -0.710 175.346 176.094 -0.064 0.000 1.052 894 V CA -0.884 61.323 62.300 -0.156 0.000 0.967 894 V CB 0.799 32.459 31.823 -0.272 0.000 1.019 894 V HN 0.687 nan 8.190 nan 0.000 0.459 895 Y N 2.106 122.419 120.300 0.023 0.000 2.299 895 Y HA 0.444 4.994 4.550 -0.000 0.000 0.326 895 Y C 1.003 177.010 175.900 0.178 0.000 1.164 895 Y CA 0.857 58.966 58.100 0.014 0.000 1.234 895 Y CB 0.412 38.906 38.460 0.057 0.000 1.219 895 Y HN 1.020 nan 8.280 nan 0.000 0.497 896 H N -0.388 118.760 119.070 0.129 0.000 2.899 896 H HA -0.211 4.345 4.556 -0.000 0.000 0.282 896 H C -1.105 174.020 175.328 -0.339 0.000 1.198 896 H CA 1.103 57.118 56.048 -0.055 0.000 1.140 896 H CB -2.081 27.640 29.762 -0.068 0.000 1.317 896 H HN 0.718 nan 8.280 nan 0.000 0.375 897 H N -2.040 117.090 119.070 0.100 0.000 3.017 897 H HA 0.343 4.898 4.556 -0.000 0.000 0.346 897 H C -0.984 174.408 175.328 0.106 0.000 1.286 897 H CA -0.873 55.236 56.048 0.102 0.000 1.120 897 H CB 0.699 30.498 29.762 0.061 0.000 1.860 897 H HN 0.075 nan 8.280 nan 0.000 0.542 898 F N 2.937 122.965 119.950 0.130 0.000 2.753 898 F HA 0.398 4.924 4.527 -0.000 0.000 0.314 898 F C -1.200 174.645 175.800 0.075 0.000 1.215 898 F CA -0.282 57.759 58.000 0.068 0.000 1.243 898 F CB -0.115 38.918 39.000 0.055 0.000 1.400 898 F HN 0.232 nan 8.300 nan 0.000 0.548 899 I N 1.596 122.136 120.570 -0.050 0.000 2.582 899 I HA 0.455 4.625 4.170 -0.000 0.000 0.292 899 I C -0.401 175.660 176.117 -0.093 0.000 1.066 899 I CA -0.509 60.763 61.300 -0.046 0.000 1.053 899 I CB 1.543 39.537 38.000 -0.010 0.000 1.241 899 I HN 0.287 nan 8.210 nan 0.000 0.421 900 S N 3.578 119.284 115.700 0.010 0.000 2.588 900 S HA 0.817 5.287 4.470 -0.000 0.000 0.269 900 S C -1.608 173.111 174.600 0.197 0.000 1.157 900 S CA -0.741 57.509 58.200 0.083 0.000 0.824 900 S CB 3.227 66.394 63.200 -0.055 0.000 1.126 900 S HN 0.593 nan 8.310 nan 0.000 0.464 901 D N -1.309 119.228 120.400 0.229 0.000 2.648 901 D HA 0.703 5.343 4.640 -0.000 0.000 0.244 901 D C -0.654 175.726 176.300 0.133 0.000 1.244 901 D CA 0.193 54.301 54.000 0.179 0.000 0.772 901 D CB 1.783 42.693 40.800 0.184 0.000 1.379 901 D HN 1.058 nan 8.370 nan 0.000 0.428 902 G N -0.100 108.769 108.800 0.116 0.000 2.718 902 G HA2 0.583 4.543 3.960 -0.000 0.000 0.295 902 G HA3 0.583 4.543 3.960 -0.000 0.000 0.295 902 G C -1.704 173.274 174.900 0.130 0.000 1.421 902 G CA -0.547 44.612 45.100 0.098 0.000 0.902 902 G HN 0.429 nan 8.290 nan 0.000 0.501 903 V N 0.747 120.725 119.914 0.107 0.000 2.577 903 V HA 0.626 4.745 4.120 -0.000 0.000 0.303 903 V C -0.089 176.067 176.094 0.103 0.000 1.042 903 V CA -0.825 61.562 62.300 0.146 0.000 0.872 903 V CB 1.883 33.736 31.823 0.051 0.000 0.998 903 V HN 0.771 nan 8.190 nan 0.000 0.423 904 R N 3.970 124.581 120.500 0.185 0.000 2.494 904 R HA 0.467 4.807 4.340 -0.000 0.000 0.284 904 R C -0.445 175.947 176.300 0.154 0.000 1.525 904 R CA -0.400 55.772 56.100 0.119 0.000 1.460 904 R CB 0.588 30.945 30.300 0.096 0.000 1.134 904 R HN 0.701 nan 8.270 nan 0.000 0.592 905 K N 0.666 121.108 120.400 0.070 0.000 2.210 905 K HA 0.513 4.833 4.320 -0.000 0.000 0.236 905 K C -0.508 176.110 176.600 0.031 0.000 1.016 905 K CA -0.826 55.495 56.287 0.056 0.000 0.913 905 K CB 1.936 34.408 32.500 -0.047 0.000 1.141 905 K HN 0.229 nan 8.250 nan 0.000 0.462 906 S N 0.828 116.547 115.700 0.032 0.000 2.566 906 S HA 0.624 5.093 4.470 -0.000 0.000 0.298 906 S C -1.087 173.515 174.600 0.003 0.000 1.083 906 S CA -0.997 57.221 58.200 0.030 0.000 0.978 906 S CB 1.054 64.274 63.200 0.034 0.000 1.073 906 S HN 0.543 nan 8.310 nan 0.000 0.491 907 L N -0.751 120.483 121.223 0.018 0.000 2.422 907 L HA 0.711 5.051 4.340 -0.000 0.000 0.264 907 L C -1.079 175.773 176.870 -0.029 0.000 0.984 907 L CA -1.073 53.754 54.840 -0.021 0.000 0.819 907 L CB 1.562 43.629 42.059 0.014 0.000 1.330 907 L HN 0.361 nan 8.230 nan 0.000 0.410 908 K N 1.643 121.970 120.400 -0.121 0.000 2.237 908 K HA 0.502 4.822 4.320 -0.000 0.000 0.270 908 K C -0.876 175.695 176.600 -0.049 0.000 1.015 908 K CA -0.622 55.599 56.287 -0.110 0.000 0.949 908 K CB 1.960 34.339 32.500 -0.202 0.000 0.976 908 K HN 0.487 nan 8.250 nan 0.000 0.472 909 V N 3.401 123.289 119.914 -0.043 0.000 2.289 909 V HA 0.087 4.207 4.120 -0.000 0.000 0.272 909 V C -0.296 175.775 176.094 -0.038 0.000 1.026 909 V CA -0.902 61.376 62.300 -0.036 0.000 0.807 909 V CB 1.086 32.862 31.823 -0.078 0.000 1.044 909 V HN 0.473 nan 8.190 nan 0.000 0.443 910 V N 7.296 127.206 119.914 -0.006 0.000 2.529 910 V HA 0.150 4.270 4.120 -0.000 0.000 0.292 910 V C -1.907 174.153 176.094 -0.057 0.000 1.028 910 V CA -1.241 61.064 62.300 0.008 0.000 1.074 910 V CB 0.939 32.809 31.823 0.079 0.000 0.958 910 V HN 0.637 nan 8.190 nan 0.000 0.481 911 P HA 0.023 nan 4.420 nan 0.000 0.265 911 P C 0.020 177.234 177.300 -0.142 0.000 1.193 911 P CA -0.012 62.925 63.100 -0.271 0.000 0.765 911 P CB 0.370 31.685 31.700 -0.642 0.000 0.823 912 E N 2.161 122.317 120.200 -0.073 0.000 2.558 912 E HA 0.274 4.623 4.350 -0.000 0.000 0.255 912 E C 0.610 177.219 176.600 0.015 0.000 0.968 912 E CA 0.542 56.935 56.400 -0.012 0.000 0.939 912 E CB -0.260 29.438 29.700 -0.003 0.000 0.921 912 E HN 0.670 nan 8.360 nan 0.000 0.477 913 G N 3.464 112.293 108.800 0.047 0.000 2.291 913 G HA2 0.065 4.025 3.960 -0.000 0.000 0.249 913 G HA3 0.065 4.025 3.960 -0.000 0.000 0.249 913 G C -1.468 173.465 174.900 0.056 0.000 1.340 913 G CA -0.394 44.743 45.100 0.061 0.000 1.017 913 G HN 0.654 nan 8.290 nan 0.000 0.470 914 I N -0.050 120.531 120.570 0.018 0.000 2.769 914 I HA 0.628 4.798 4.170 -0.000 0.000 0.298 914 I C -0.517 175.515 176.117 -0.142 0.000 1.128 914 I CA -1.287 59.992 61.300 -0.036 0.000 1.031 914 I CB 1.926 39.898 38.000 -0.048 0.000 1.235 914 I HN 0.439 nan 8.210 nan 0.000 0.423 915 R N 7.487 127.897 120.500 -0.149 0.000 2.248 915 R HA 0.399 4.739 4.340 -0.000 0.000 0.337 915 R C -0.660 175.492 176.300 -0.247 0.000 1.085 915 R CA -0.176 55.776 56.100 -0.248 0.000 0.934 915 R CB 0.298 30.499 30.300 -0.165 0.000 1.034 915 R HN 0.547 nan 8.270 nan 0.000 0.465 916 M N 2.113 121.476 119.600 -0.395 0.000 2.654 916 M HA 0.293 4.773 4.480 -0.000 0.000 0.310 916 M C 0.361 176.556 176.300 -0.175 0.000 1.211 916 M CA -0.831 54.289 55.300 -0.300 0.000 0.947 916 M CB 1.764 34.122 32.600 -0.404 0.000 1.647 916 M HN 0.370 nan 8.290 nan 0.000 0.481 917 N N 0.454 119.135 118.700 -0.031 0.000 2.716 917 N HA 0.188 4.928 4.740 -0.000 0.000 0.245 917 N C -1.457 174.102 175.510 0.082 0.000 1.495 917 N CA -0.469 52.607 53.050 0.044 0.000 0.759 917 N CB 0.200 38.692 38.487 0.007 0.000 1.261 917 N HN 0.473 nan 8.380 nan 0.000 0.515 918 K N 0.753 121.246 120.400 0.154 0.000 2.430 918 K HA 0.070 4.390 4.320 -0.000 0.000 0.280 918 K C -0.219 176.424 176.600 0.072 0.000 1.063 918 K CA 0.458 56.813 56.287 0.113 0.000 1.071 918 K CB 0.172 32.748 32.500 0.128 0.000 0.899 918 K HN 0.317 nan 8.250 nan 0.000 0.473 919 T N 3.369 117.953 114.554 0.049 0.000 2.776 919 T HA 0.030 4.380 4.350 -0.000 0.000 0.292 919 T C 1.822 176.541 174.700 0.031 0.000 0.921 919 T CA -0.500 61.622 62.100 0.038 0.000 1.038 919 T CB 0.604 69.488 68.868 0.027 0.000 0.910 919 T HN 0.272 nan 8.240 nan 0.000 0.536 920 V N 2.491 122.426 119.914 0.035 0.000 2.220 920 V HA 0.006 4.126 4.120 -0.000 0.000 0.246 920 V C 1.268 177.366 176.094 0.006 0.000 1.049 920 V CA 1.990 64.302 62.300 0.020 0.000 1.003 920 V CB -0.633 31.209 31.823 0.031 0.000 0.634 920 V HN 1.027 nan 8.190 nan 0.000 0.444 921 A N -1.260 121.568 122.820 0.013 0.000 2.608 921 A HA 0.643 4.963 4.320 -0.000 0.000 0.292 921 A C -1.116 176.477 177.584 0.015 0.000 1.066 921 A CA 0.157 52.196 52.037 0.003 0.000 0.676 921 A CB 1.908 20.896 19.000 -0.019 0.000 1.277 921 A HN 0.871 nan 8.150 nan 0.000 0.413 922 V N -0.022 119.897 119.914 0.010 0.000 2.313 922 V HA 0.567 4.687 4.120 -0.000 0.000 0.262 922 V C -0.244 175.856 176.094 0.010 0.000 1.011 922 V CA -0.986 61.322 62.300 0.013 0.000 0.858 922 V CB 0.234 32.064 31.823 0.011 0.000 1.104 922 V HN 0.749 nan 8.190 nan 0.000 0.456 923 R N 1.411 121.918 120.500 0.012 0.000 2.577 923 R HA 0.641 4.981 4.340 -0.000 0.000 0.269 923 R C 0.056 176.364 176.300 0.013 0.000 1.084 923 R CA -0.292 55.813 56.100 0.009 0.000 1.163 923 R CB 0.925 31.229 30.300 0.007 0.000 1.100 923 R HN 0.623 nan 8.270 nan 0.000 0.547 924 T N 2.222 116.783 114.554 0.012 0.000 2.779 924 T HA 0.461 4.811 4.350 -0.000 0.000 0.280 924 T C 0.067 174.776 174.700 0.016 0.000 0.987 924 T CA -0.628 61.481 62.100 0.014 0.000 0.966 924 T CB 0.985 69.861 68.868 0.014 0.000 0.933 924 T HN 0.202 nan 8.240 nan 0.000 0.442 925 L N 4.837 126.071 121.223 0.018 0.000 2.265 925 L HA 0.559 4.899 4.340 -0.000 0.000 0.289 925 L C -0.538 176.345 176.870 0.022 0.000 1.033 925 L CA -0.685 54.168 54.840 0.021 0.000 0.814 925 L CB 0.635 42.707 42.059 0.021 0.000 1.203 925 L HN 0.749 nan 8.230 nan 0.000 0.423 926 D N 2.696 123.110 120.400 0.023 0.000 2.491 926 D HA 0.221 4.861 4.640 -0.000 0.000 0.232 926 D C -2.897 173.418 176.300 0.025 0.000 1.334 926 D CA -1.264 52.751 54.000 0.026 0.000 0.909 926 D CB 0.892 41.709 40.800 0.028 0.000 1.513 926 D HN 0.076 nan 8.370 nan 0.000 0.514 927 P HA 0.087 nan 4.420 nan 0.000 0.272 927 P C 0.497 177.812 177.300 0.025 0.000 1.248 927 P CA 0.321 63.435 63.100 0.023 0.000 0.799 927 P CB 0.536 32.250 31.700 0.023 0.000 0.997 928 E N -2.326 117.889 120.200 0.024 0.000 4.584 928 E HA -0.352 3.998 4.350 -0.000 0.000 0.282 928 E C 1.446 178.060 176.600 0.024 0.000 0.747 928 E CA 1.545 57.959 56.400 0.025 0.000 1.563 928 E CB -1.065 28.652 29.700 0.029 0.000 1.779 928 E HN 0.458 nan 8.360 nan 0.000 0.408 929 R N 0.664 121.178 120.500 0.024 0.000 2.142 929 R HA 0.205 4.544 4.340 -0.000 0.000 0.204 929 R C 1.646 177.957 176.300 0.018 0.000 1.059 929 R CA 0.817 56.930 56.100 0.022 0.000 1.055 929 R CB 0.459 30.773 30.300 0.025 0.000 0.976 929 R HN 0.180 nan 8.270 nan 0.000 0.483 930 L N 0.327 121.561 121.223 0.017 0.000 3.229 930 L HA 0.435 4.775 4.340 -0.000 0.000 0.286 930 L C 0.577 177.454 176.870 0.013 0.000 1.239 930 L CA -0.467 54.381 54.840 0.014 0.000 1.035 930 L CB 1.534 43.601 42.059 0.013 0.000 1.408 930 L HN 0.214 nan 8.230 nan 0.000 0.593 931 G N 0.996 109.805 108.800 0.015 0.000 2.890 931 G HA2 0.734 4.694 3.960 -0.000 0.000 0.189 931 G HA3 0.734 4.694 3.960 -0.000 0.000 0.189 931 G C -0.662 174.246 174.900 0.013 0.000 1.342 931 G CA -0.495 44.614 45.100 0.015 0.000 1.026 931 G HN 0.251 nan 8.290 nan 0.000 0.579 932 R N -1.799 118.710 120.500 0.014 0.000 2.808 932 R HA 0.386 4.726 4.340 -0.000 0.000 0.254 932 R C -0.833 175.475 176.300 0.013 0.000 1.145 932 R CA -0.608 55.499 56.100 0.013 0.000 1.066 932 R CB 0.825 31.131 30.300 0.010 0.000 1.268 932 R HN 0.446 nan 8.270 nan 0.000 0.447 933 E N 0.803 121.012 120.200 0.014 0.000 3.370 933 E HA -0.247 4.103 4.350 -0.000 0.000 0.291 933 E C 0.998 177.608 176.600 0.016 0.000 0.916 933 E CA 2.418 58.826 56.400 0.014 0.000 0.981 933 E CB -1.307 28.400 29.700 0.013 0.000 1.498 933 E HN 1.286 nan 8.360 nan 0.000 0.452 934 G N -2.357 106.453 108.800 0.018 0.000 2.195 934 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.224 934 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.224 934 G C 0.302 175.213 174.900 0.019 0.000 0.990 934 G CA 0.401 45.512 45.100 0.020 0.000 0.639 934 G HN 1.102 nan 8.290 nan 0.000 0.514 935 V N -2.161 117.764 119.914 0.018 0.000 2.815 935 V HA 0.904 5.024 4.120 -0.000 0.000 0.314 935 V C -0.382 175.722 176.094 0.017 0.000 1.064 935 V CA -0.585 61.726 62.300 0.018 0.000 0.952 935 V CB 1.978 33.812 31.823 0.018 0.000 1.020 935 V HN 0.599 nan 8.190 nan 0.000 0.439 936 Q N 1.710 121.521 119.800 0.018 0.000 2.285 936 Q HA 0.517 4.857 4.340 -0.000 0.000 0.269 936 Q C -1.395 174.615 176.000 0.017 0.000 1.030 936 Q CA -0.699 55.114 55.803 0.017 0.000 0.788 936 Q CB 2.307 31.056 28.738 0.018 0.000 1.266 936 Q HN 0.894 nan 8.270 nan 0.000 0.438 937 K N 2.591 122.998 120.400 0.012 0.000 2.159 937 K HA 0.404 4.724 4.320 -0.000 0.000 0.266 937 K C -1.004 175.597 176.600 0.001 0.000 0.975 937 K CA -0.683 55.609 56.287 0.009 0.000 0.865 937 K CB 1.640 34.144 32.500 0.006 0.000 1.087 937 K HN 0.400 nan 8.250 nan 0.000 0.446 938 E N 2.497 122.696 120.200 -0.002 0.000 2.343 938 E HA 0.152 4.502 4.350 -0.000 0.000 0.260 938 E C -1.544 175.024 176.600 -0.053 0.000 0.908 938 E CA -0.485 55.903 56.400 -0.019 0.000 0.814 938 E CB 0.691 30.388 29.700 -0.006 0.000 1.302 938 E HN 0.355 nan 8.360 nan 0.000 0.408 939 D N 3.189 123.544 120.400 -0.075 0.000 2.341 939 D HA 0.336 4.976 4.640 -0.000 0.000 0.245 939 D C 0.006 176.185 176.300 -0.202 0.000 1.106 939 D CA 0.151 54.073 54.000 -0.130 0.000 0.905 939 D CB 0.940 41.682 40.800 -0.097 0.000 1.202 939 D HN 0.421 nan 8.370 nan 0.000 0.426 940 I N 2.587 122.941 120.570 -0.360 0.000 2.476 940 I HA 0.193 4.363 4.170 -0.000 0.000 0.281 940 I C -2.405 173.473 176.117 -0.399 0.000 1.040 940 I CA -2.020 59.013 61.300 -0.444 0.000 1.094 940 I CB 2.027 39.562 38.000 -0.775 0.000 1.219 940 I HN -0.036 nan 8.210 nan 0.000 0.450 941 P HA 0.166 nan 4.420 nan 0.000 0.269 941 P C -2.408 174.822 177.300 -0.117 0.000 1.209 941 P CA -0.814 62.202 63.100 -0.141 0.000 0.776 941 P CB -0.176 31.470 31.700 -0.091 0.000 0.876 942 P HA 0.074 nan 4.420 nan 0.000 0.269 942 P C -0.345 176.937 177.300 -0.029 0.000 1.217 942 P CA 0.060 63.145 63.100 -0.025 0.000 0.783 942 P CB 0.284 31.975 31.700 -0.015 0.000 0.898 943 A N 1.549 124.357 122.820 -0.019 0.000 2.406 943 A HA 0.044 4.363 4.320 -0.000 0.000 0.243 943 A C 1.395 178.935 177.584 -0.074 0.000 1.082 943 A CA 0.143 52.154 52.037 -0.044 0.000 0.786 943 A CB -0.222 18.745 19.000 -0.054 0.000 1.029 943 A HN 0.604 nan 8.150 nan 0.000 0.495 944 D N -0.162 120.189 120.400 -0.080 0.000 2.096 944 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 944 D C 0.949 177.166 176.300 -0.138 0.000 0.980 944 D CA 1.929 55.880 54.000 -0.082 0.000 0.860 944 D CB -0.348 40.421 40.800 -0.051 0.000 1.005 944 D HN 0.641 nan 8.370 nan 0.000 0.449 945 L N -0.092 120.989 121.223 -0.238 0.000 3.843 945 L HA -0.271 4.068 4.340 -0.000 0.000 0.411 945 L C 1.549 178.319 176.870 -0.167 0.000 1.205 945 L CA 0.352 54.965 54.840 -0.380 0.000 0.945 945 L CB -2.430 39.382 42.059 -0.412 0.000 1.929 945 L HN 0.177 nan 8.230 nan 0.000 0.934 946 S N -0.487 115.165 115.700 -0.080 0.000 2.383 946 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 946 S C 1.156 175.761 174.600 0.007 0.000 1.026 946 S CA 1.096 59.279 58.200 -0.028 0.000 0.981 946 S CB -0.134 63.060 63.200 -0.011 0.000 0.818 946 S HN 0.683 nan 8.310 nan 0.000 0.472 947 D N 0.901 121.328 120.400 0.046 0.000 2.561 947 D HA 0.121 4.760 4.640 -0.000 0.000 0.232 947 D C 0.240 176.636 176.300 0.161 0.000 1.198 947 D CA -0.376 53.679 54.000 0.092 0.000 0.826 947 D CB -0.695 40.167 40.800 0.104 0.000 0.992 947 D HN 0.584 nan 8.370 nan 0.000 0.490 948 Q N 0.635 120.509 119.800 0.124 0.000 2.332 948 Q HA 0.189 4.529 4.340 -0.000 0.000 0.263 948 Q C -0.372 175.719 176.000 0.151 0.000 0.979 948 Q CA -0.556 55.367 55.803 0.200 0.000 0.885 948 Q CB 1.162 29.930 28.738 0.050 0.000 1.218 948 Q HN 0.012 nan 8.270 nan 0.000 0.405 949 V N 7.112 127.136 119.914 0.184 0.000 2.599 949 V HA 0.052 4.172 4.120 -0.000 0.000 0.300 949 V C -1.998 174.135 176.094 0.066 0.000 1.034 949 V CA -0.988 61.376 62.300 0.106 0.000 1.115 949 V CB 0.423 32.304 31.823 0.097 0.000 0.934 949 V HN 0.845 nan 8.190 nan 0.000 0.485 950 P HA 0.049 nan 4.420 nan 0.000 0.265 950 P C 0.108 177.404 177.300 -0.006 0.000 1.193 950 P CA 0.473 63.579 63.100 0.009 0.000 0.765 950 P CB 0.145 31.843 31.700 -0.002 0.000 0.823 951 D N 1.176 121.568 120.400 -0.013 0.000 2.760 951 D HA -0.133 4.507 4.640 -0.000 0.000 0.244 951 D C -0.941 175.345 176.300 -0.023 0.000 1.123 951 D CA 1.364 55.348 54.000 -0.027 0.000 0.719 951 D CB -1.353 39.419 40.800 -0.048 0.000 1.045 951 D HN 0.470 nan 8.370 nan 0.000 0.426 952 T N -1.272 113.287 114.554 0.008 0.000 2.933 952 T HA 0.669 5.019 4.350 -0.000 0.000 0.305 952 T C -0.056 174.689 174.700 0.075 0.000 1.092 952 T CA -0.914 61.202 62.100 0.028 0.000 1.008 952 T CB 2.049 70.953 68.868 0.060 0.000 1.102 952 T HN 0.164 nan 8.240 nan 0.000 0.469 953 E N 1.404 121.657 120.200 0.088 0.000 2.312 953 E HA 0.735 5.085 4.350 -0.000 0.000 0.259 953 E C -0.421 176.268 176.600 0.149 0.000 1.122 953 E CA -0.831 55.624 56.400 0.092 0.000 0.922 953 E CB 0.849 30.587 29.700 0.063 0.000 1.109 953 E HN 0.973 nan 8.360 nan 0.000 0.442 954 S N -0.855 114.908 115.700 0.105 0.000 2.556 954 S HA 0.438 4.908 4.470 -0.000 0.000 0.280 954 S C -1.154 173.484 174.600 0.064 0.000 1.141 954 S CA -1.120 57.148 58.200 0.113 0.000 0.883 954 S CB 0.743 64.027 63.200 0.141 0.000 1.103 954 S HN 0.765 nan 8.310 nan 0.000 0.453 955 E N 0.738 120.972 120.200 0.057 0.000 2.263 955 E HA 0.742 5.092 4.350 -0.000 0.000 0.264 955 E C -1.235 175.384 176.600 0.030 0.000 0.923 955 E CA -1.030 55.389 56.400 0.031 0.000 0.802 955 E CB 1.860 31.572 29.700 0.020 0.000 1.228 955 E HN 0.457 nan 8.360 nan 0.000 0.417 956 T N 1.509 116.070 114.554 0.011 0.000 2.791 956 T HA 0.278 4.628 4.350 -0.000 0.000 0.288 956 T C -0.492 174.197 174.700 -0.019 0.000 0.999 956 T CA -0.655 61.454 62.100 0.015 0.000 0.952 956 T CB 0.680 69.567 68.868 0.033 0.000 0.938 956 T HN 0.401 nan 8.240 nan 0.000 0.444 957 R N 4.819 125.318 120.500 -0.003 0.000 2.408 957 R HA 0.351 4.691 4.340 -0.000 0.000 0.308 957 R C -0.257 176.028 176.300 -0.025 0.000 1.210 957 R CA -0.425 55.661 56.100 -0.023 0.000 1.115 957 R CB -0.223 30.071 30.300 -0.010 0.000 1.127 957 R HN 0.619 nan 8.270 nan 0.000 0.523 958 I N 4.861 125.386 120.570 -0.075 0.000 2.634 958 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 958 I C 0.082 176.162 176.117 -0.063 0.000 1.124 958 I CA -0.090 61.167 61.300 -0.070 0.000 1.417 958 I CB 0.848 38.728 38.000 -0.201 0.000 1.396 958 I HN 0.466 nan 8.210 nan 0.000 0.571 959 L N 6.964 128.167 121.223 -0.033 0.000 2.470 959 L HA 0.558 4.897 4.340 -0.000 0.000 0.268 959 L C -1.097 175.744 176.870 -0.048 0.000 0.964 959 L CA -0.457 54.353 54.840 -0.050 0.000 0.839 959 L CB 1.956 43.996 42.059 -0.031 0.000 1.276 959 L HN 0.517 nan 8.230 nan 0.000 0.403 960 L N 3.762 124.934 121.223 -0.085 0.000 2.319 960 L HA 0.688 5.028 4.340 -0.000 0.000 0.267 960 L C -0.807 176.024 176.870 -0.065 0.000 1.011 960 L CA -0.528 54.269 54.840 -0.072 0.000 0.818 960 L CB 2.061 44.056 42.059 -0.107 0.000 1.316 960 L HN 0.584 nan 8.230 nan 0.000 0.432 961 Q N 0.326 120.101 119.800 -0.043 0.000 2.518 961 Q HA 0.381 4.721 4.340 -0.000 0.000 0.254 961 Q C -1.050 174.933 176.000 -0.028 0.000 0.962 961 Q CA -0.459 55.321 55.803 -0.039 0.000 0.982 961 Q CB 1.956 30.672 28.738 -0.037 0.000 1.516 961 Q HN 0.788 nan 8.270 nan 0.000 0.426 962 G N 0.678 109.458 108.800 -0.032 0.000 2.621 962 G HA2 0.520 4.480 3.960 -0.000 0.000 0.271 962 G HA3 0.520 4.480 3.960 -0.000 0.000 0.271 962 G C -0.701 174.182 174.900 -0.028 0.000 1.236 962 G CA 0.366 45.451 45.100 -0.024 0.000 0.958 962 G HN 0.448 nan 8.290 nan 0.000 0.512 963 T N 0.458 115.007 114.554 -0.009 0.000 4.111 963 T HA 0.429 4.779 4.350 -0.000 0.000 0.346 963 T C -3.025 171.699 174.700 0.040 0.000 0.893 963 T CA -0.834 61.264 62.100 -0.003 0.000 1.011 963 T CB 1.511 70.382 68.868 0.005 0.000 1.094 963 T HN 0.287 nan 8.240 nan 0.000 0.467 964 P HA 0.341 nan 4.420 nan 0.000 0.267 964 P C 0.891 178.265 177.300 0.123 0.000 1.205 964 P CA 0.305 63.501 63.100 0.160 0.000 0.765 964 P CB 0.950 32.773 31.700 0.203 0.000 0.828 965 V N 1.214 121.206 119.914 0.130 0.000 0.792 965 V HA -0.307 3.813 4.120 -0.000 0.000 0.068 965 V C 0.869 177.091 176.094 0.214 0.000 2.635 965 V CA 1.802 64.200 62.300 0.163 0.000 3.584 965 V CB -1.903 30.026 31.823 0.175 0.000 1.239 965 V HN 0.794 nan 8.190 nan 0.000 1.127 966 A N 0.973 123.952 122.820 0.265 0.000 2.539 966 A HA 0.610 4.930 4.320 -0.000 0.000 0.306 966 A C 0.299 177.974 177.584 0.152 0.000 1.392 966 A CA 0.583 52.780 52.037 0.267 0.000 1.060 966 A CB 0.166 19.419 19.000 0.420 0.000 1.134 966 A HN 0.691 nan 8.150 nan 0.000 0.542 967 Q N 1.322 121.183 119.800 0.102 0.000 3.224 967 Q HA 0.647 4.987 4.340 -0.000 0.000 0.357 967 Q C -0.079 175.943 176.000 0.037 0.000 0.848 967 Q CA -1.182 54.662 55.803 0.069 0.000 0.841 967 Q CB 0.237 29.015 28.738 0.067 0.000 1.776 967 Q HN 0.581 nan 8.270 nan 0.000 0.406 968 M N -0.417 119.209 119.600 0.043 0.000 7.319 968 M HA -0.225 4.255 4.480 -0.000 0.000 0.133 968 M C -0.532 175.797 176.300 0.049 0.000 0.480 968 M CA 1.775 57.103 55.300 0.047 0.000 1.311 968 M CB -2.566 30.051 32.600 0.029 0.000 0.421 968 M HN 0.913 nan 8.290 nan 0.000 0.169 969 T N 1.437 116.026 114.554 0.058 0.000 0.915 969 T HA -0.083 4.266 4.350 -0.000 0.000 0.734 969 T C -0.243 174.537 174.700 0.132 0.000 0.985 969 T CA 0.790 62.923 62.100 0.056 0.000 3.878 969 T CB -0.459 68.399 68.868 -0.017 0.000 2.195 969 T HN 0.460 nan 8.240 nan 0.000 0.387 970 E N 2.061 122.420 120.200 0.264 0.000 2.280 970 E HA 0.364 4.714 4.350 -0.000 0.000 0.264 970 E C 0.245 176.959 176.600 0.190 0.000 1.064 970 E CA -0.769 55.759 56.400 0.214 0.000 0.900 970 E CB 0.743 30.559 29.700 0.193 0.000 1.123 970 E HN 0.544 nan 8.360 nan 0.000 0.418 971 D N 0.242 120.720 120.400 0.130 0.000 2.339 971 D HA 0.351 4.991 4.640 -0.000 0.000 0.245 971 D C -0.301 176.087 176.300 0.147 0.000 1.115 971 D CA -0.120 53.948 54.000 0.115 0.000 0.917 971 D CB 0.894 41.746 40.800 0.087 0.000 1.192 971 D HN 0.387 nan 8.370 nan 0.000 0.428 972 A N 0.997 123.906 122.820 0.148 0.000 2.295 972 A HA 0.453 4.773 4.320 -0.000 0.000 0.318 972 A C -0.131 177.596 177.584 0.239 0.000 1.134 972 A CA -0.727 51.442 52.037 0.219 0.000 0.827 972 A CB 0.697 19.790 19.000 0.155 0.000 1.136 972 A HN 0.366 nan 8.150 nan 0.000 0.493 973 V N 2.808 122.926 119.914 0.340 0.000 2.540 973 V HA -0.007 4.113 4.120 -0.000 0.000 0.297 973 V C -0.004 176.256 176.094 0.277 0.000 1.024 973 V CA -0.038 62.438 62.300 0.294 0.000 1.105 973 V CB -0.052 31.941 31.823 0.283 0.000 0.938 973 V HN 0.841 nan 8.190 nan 0.000 0.482 974 D N 3.858 124.367 120.400 0.182 0.000 2.488 974 D HA 0.161 4.801 4.640 -0.000 0.000 0.238 974 D C 0.993 177.351 176.300 0.096 0.000 1.138 974 D CA 0.598 54.665 54.000 0.112 0.000 0.873 974 D CB 1.247 42.084 40.800 0.062 0.000 1.183 974 D HN 0.645 nan 8.370 nan 0.000 0.458 975 A N 2.766 125.637 122.820 0.085 0.000 2.067 975 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 975 A C 1.821 179.493 177.584 0.146 0.000 1.158 975 A CA 1.130 53.228 52.037 0.102 0.000 0.661 975 A CB -0.434 18.607 19.000 0.067 0.000 0.801 975 A HN 0.707 nan 8.150 nan 0.000 0.452 976 E N -0.403 119.821 120.200 0.040 0.000 2.338 976 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 976 E C 1.433 177.974 176.600 -0.098 0.000 1.007 976 E CA 0.417 56.789 56.400 -0.048 0.000 0.849 976 E CB 0.040 29.708 29.700 -0.054 0.000 0.774 976 E HN 0.343 nan 8.360 nan 0.000 0.506 977 R N -0.209 120.209 120.500 -0.137 0.000 2.317 977 R HA 0.126 4.466 4.340 -0.000 0.000 0.208 977 R C 0.919 177.094 176.300 -0.207 0.000 0.914 977 R CA 0.225 56.116 56.100 -0.348 0.000 1.060 977 R CB 0.345 30.181 30.300 -0.774 0.000 1.015 977 R HN 0.255 nan 8.270 nan 0.000 0.498 978 L N 0.271 121.440 121.223 -0.089 0.000 3.110 978 L HA 0.273 4.613 4.340 -0.000 0.000 0.266 978 L C 0.637 177.485 176.870 -0.036 0.000 1.257 978 L CA -0.034 54.693 54.840 -0.189 0.000 1.038 978 L CB 0.347 42.279 42.059 -0.212 0.000 1.395 978 L HN -0.191 nan 8.230 nan 0.000 0.566 979 K N 0.350 120.758 120.400 0.013 0.000 2.589 979 K HA 0.001 4.320 4.320 -0.000 0.000 0.204 979 K C 0.848 177.481 176.600 0.055 0.000 1.029 979 K CA 0.291 56.570 56.287 -0.013 0.000 1.177 979 K CB -0.082 32.299 32.500 -0.198 0.000 0.902 979 K HN 0.544 nan 8.250 nan 0.000 0.501 980 H N -3.816 115.269 119.070 0.024 0.000 3.535 980 H HA 0.196 4.752 4.556 -0.000 0.000 0.260 980 H C 1.065 176.405 175.328 0.019 0.000 1.173 980 H CA -0.391 55.664 56.048 0.012 0.000 1.168 980 H CB -0.085 29.672 29.762 -0.009 0.000 1.568 980 H HN -0.014 nan 8.280 nan 0.000 0.602 981 L N 1.287 122.296 121.223 -0.357 0.000 2.599 981 L HA 0.176 4.516 4.340 -0.000 0.000 0.230 981 L C -0.027 176.801 176.870 -0.071 0.000 1.141 981 L CA 0.028 54.723 54.840 -0.241 0.000 0.877 981 L CB 0.127 41.943 42.059 -0.404 0.000 1.009 981 L HN 0.343 nan 8.230 nan 0.000 0.447 982 I N 1.452 122.027 120.570 0.008 0.000 2.206 982 I HA 0.134 4.304 4.170 -0.000 0.000 0.292 982 I C 0.023 176.180 176.117 0.065 0.000 1.156 982 I CA 0.077 61.414 61.300 0.062 0.000 1.356 982 I CB 0.020 38.102 38.000 0.137 0.000 1.494 982 I HN -0.213 nan 8.210 nan 0.000 0.601 983 V N 3.892 123.839 119.914 0.054 0.000 2.472 983 V HA 0.284 4.404 4.120 -0.000 0.000 0.290 983 V C 0.742 176.868 176.094 0.054 0.000 1.037 983 V CA -0.582 61.753 62.300 0.058 0.000 0.908 983 V CB 1.842 33.700 31.823 0.059 0.000 0.985 983 V HN 0.568 nan 8.190 nan 0.000 0.454 984 T N 7.360 121.946 114.554 0.054 0.000 2.769 984 T HA 0.202 4.552 4.350 -0.000 0.000 0.293 984 T C -2.342 172.388 174.700 0.050 0.000 0.931 984 T CA -0.618 61.513 62.100 0.052 0.000 1.139 984 T CB 0.469 69.368 68.868 0.050 0.000 0.881 984 T HN 0.471 nan 8.240 nan 0.000 0.532 985 P HA 0.167 nan 4.420 nan 0.000 0.262 985 P C -0.494 176.840 177.300 0.056 0.000 1.182 985 P CA 0.073 63.204 63.100 0.052 0.000 0.761 985 P CB 0.401 32.137 31.700 0.061 0.000 0.795 986 S N 1.238 116.964 115.700 0.044 0.000 2.578 986 S HA 0.815 5.285 4.470 -0.000 0.000 0.272 986 S C -0.342 174.275 174.600 0.028 0.000 1.145 986 S CA -0.138 58.094 58.200 0.054 0.000 0.835 986 S CB 1.450 64.683 63.200 0.056 0.000 1.104 986 S HN 0.895 nan 8.310 nan 0.000 0.458 987 G N -0.082 108.750 108.800 0.055 0.000 2.362 987 G HA2 0.207 4.166 3.960 -0.000 0.000 0.517 987 G HA3 0.207 4.166 3.960 -0.000 0.000 0.517 987 G C 0.369 175.261 174.900 -0.012 0.000 1.256 987 G CA 0.013 45.127 45.100 0.023 0.000 1.027 987 G HN 2.190 nan 8.290 nan 0.000 0.491 988 C N -0.858 118.353 119.300 -0.147 0.000 2.310 988 C HA 0.751 5.211 4.460 -0.000 0.000 0.279 988 C C 2.657 176.884 174.990 -1.271 0.000 2.750 988 C CA 1.066 59.803 59.018 -0.469 0.000 1.792 988 C CB -0.127 27.331 27.740 -0.469 0.000 1.957 988 C HN 2.194 nan 8.230 nan 0.000 0.463 989 G N -0.462 107.379 108.800 -1.598 0.000 2.534 989 G HA2 0.027 3.987 3.960 -0.000 0.000 0.217 989 G HA3 0.027 3.987 3.960 -0.000 0.000 0.217 989 G C 1.396 175.949 174.900 -0.578 0.000 1.128 989 G CA 0.788 45.111 45.100 -1.295 0.000 0.784 989 G HN 0.889 nan 8.290 nan 0.000 0.542 990 E N -0.269 119.654 120.200 -0.462 0.000 2.256 990 E HA 0.064 4.414 4.350 -0.000 0.000 0.198 990 E C 2.122 178.544 176.600 -0.297 0.000 0.908 990 E CA -0.014 56.229 56.400 -0.262 0.000 0.915 990 E CB 0.165 29.798 29.700 -0.112 0.000 0.890 990 E HN 0.372 nan 8.360 nan 0.000 0.484 991 E N 1.318 121.323 120.200 -0.325 0.000 2.204 991 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 991 E C 1.823 178.317 176.600 -0.176 0.000 0.990 991 E CA 0.737 56.965 56.400 -0.286 0.000 0.821 991 E CB -0.011 29.583 29.700 -0.177 0.000 0.750 991 E HN 0.053 nan 8.360 nan 0.000 0.477 992 N N 0.680 119.271 118.700 -0.182 0.000 2.084 992 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 992 N C 1.631 177.119 175.510 -0.035 0.000 1.030 992 N CA 1.359 54.359 53.050 -0.084 0.000 0.849 992 N CB 0.025 38.464 38.487 -0.081 0.000 1.012 992 N HN 0.041 nan 8.380 nan 0.000 0.423 993 M N 0.237 119.805 119.600 -0.053 0.000 2.175 993 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 993 M C 2.089 178.410 176.300 0.035 0.000 1.063 993 M CA 0.794 56.115 55.300 0.035 0.000 1.119 993 M CB -0.880 31.761 32.600 0.068 0.000 1.377 993 M HN 0.209 nan 8.290 nan 0.000 0.415 994 I N -0.437 120.098 120.570 -0.059 0.000 2.361 994 I HA -0.178 3.991 4.170 -0.000 0.000 0.251 994 I C 2.322 178.433 176.117 -0.010 0.000 1.133 994 I CA 1.344 62.604 61.300 -0.067 0.000 1.413 994 I CB -0.817 37.074 38.000 -0.182 0.000 1.073 994 I HN 0.325 nan 8.210 nan 0.000 0.424 995 G N -0.196 108.599 108.800 -0.008 0.000 2.838 995 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.210 995 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.210 995 G C 1.596 176.523 174.900 0.045 0.000 1.153 995 G CA -0.122 44.991 45.100 0.022 0.000 0.778 995 G HN 0.250 nan 8.290 nan 0.000 0.539 996 M N 0.248 119.881 119.600 0.055 0.000 2.486 996 M HA 0.077 4.557 4.480 -0.000 0.000 0.264 996 M C 2.346 178.700 176.300 0.089 0.000 1.125 996 M CA 0.927 56.268 55.300 0.068 0.000 1.144 996 M CB 0.047 32.692 32.600 0.075 0.000 1.353 996 M HN 0.104 nan 8.290 nan 0.000 0.466 997 T N 2.203 116.825 114.554 0.115 0.000 2.652 997 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 997 T C -0.989 173.819 174.700 0.179 0.000 1.039 997 T CA 1.667 63.871 62.100 0.175 0.000 1.153 997 T CB -1.536 67.464 68.868 0.221 0.000 0.863 997 T HN 0.376 nan 8.240 nan 0.000 0.428 998 P HA -0.057 nan 4.420 nan 0.000 0.219 998 P C 1.291 178.589 177.300 -0.004 0.000 1.146 998 P CA 1.290 64.423 63.100 0.055 0.000 0.808 998 P CB -0.266 31.463 31.700 0.048 0.000 0.779 999 T N -0.477 114.095 114.554 0.031 0.000 2.852 999 T HA -0.008 4.342 4.350 -0.000 0.000 0.256 999 T C 2.005 176.725 174.700 0.033 0.000 1.038 999 T CA 0.781 62.893 62.100 0.019 0.000 1.141 999 T CB -0.807 68.086 68.868 0.041 0.000 0.869 999 T HN -0.132 nan 8.240 nan 0.000 0.439 1000 V N 1.647 121.605 119.914 0.073 0.000 2.261 1000 V HA -0.120 3.999 4.120 -0.000 0.000 0.246 1000 V C 2.375 178.531 176.094 0.105 0.000 1.047 1000 V CA 1.407 63.765 62.300 0.097 0.000 1.015 1000 V CB -0.545 31.358 31.823 0.133 0.000 0.642 1000 V HN 0.356 nan 8.190 nan 0.000 0.446 1001 I N 0.400 121.040 120.570 0.116 0.000 2.493 1001 I HA -0.113 4.057 4.170 -0.000 0.000 0.254 1001 I C 2.271 178.359 176.117 -0.048 0.000 1.160 1001 I CA 1.384 62.692 61.300 0.012 0.000 1.445 1001 I CB -0.641 37.349 38.000 -0.017 0.000 1.086 1001 I HN 0.183 nan 8.210 nan 0.000 0.433 1002 A N -0.394 122.341 122.820 -0.142 0.000 1.855 1002 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 1002 A C 2.347 179.821 177.584 -0.182 0.000 1.191 1002 A CA 2.067 53.930 52.037 -0.289 0.000 0.613 1002 A CB -1.215 17.596 19.000 -0.315 0.000 0.829 1002 A HN 0.255 nan 8.150 nan 0.000 0.442 1003 V N -0.169 119.723 119.914 -0.037 0.000 2.407 1003 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 1003 V C 2.468 178.641 176.094 0.131 0.000 1.055 1003 V CA 2.550 64.930 62.300 0.134 0.000 1.049 1003 V CB -1.138 30.822 31.823 0.227 0.000 0.662 1003 V HN 0.858 nan 8.190 nan 0.000 0.455 1004 H N -0.857 118.225 119.070 0.021 0.000 2.353 1004 H HA -0.258 4.297 4.556 -0.000 0.000 0.300 1004 H C 2.112 177.450 175.328 0.015 0.000 1.090 1004 H CA 2.352 58.410 56.048 0.017 0.000 1.327 1004 H CB -0.269 29.486 29.762 -0.012 0.000 1.383 1004 H HN 0.508 nan 8.280 nan 0.000 0.508 1005 Y N 0.234 120.492 120.300 -0.070 0.000 2.314 1005 Y HA -0.043 4.507 4.550 -0.000 0.000 0.293 1005 Y C 1.875 177.653 175.900 -0.203 0.000 1.129 1005 Y CA 1.151 59.189 58.100 -0.103 0.000 1.201 1005 Y CB 0.004 38.452 38.460 -0.020 0.000 0.999 1005 Y HN 0.219 nan 8.280 nan 0.000 0.541 1006 L N -0.494 120.577 121.223 -0.253 0.000 2.313 1006 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 1006 L C 1.477 178.182 176.870 -0.274 0.000 1.119 1006 L CA 0.803 55.321 54.840 -0.538 0.000 0.809 1006 L CB -0.352 40.924 42.059 -1.306 0.000 0.933 1006 L HN 0.107 nan 8.230 nan 0.000 0.449 1007 D N -0.174 120.196 120.400 -0.049 0.000 2.194 1007 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 1007 D C 2.138 178.369 176.300 -0.115 0.000 0.964 1007 D CA 0.819 54.844 54.000 0.043 0.000 0.846 1007 D CB 0.168 40.979 40.800 0.018 0.000 0.962 1007 D HN 0.240 nan 8.370 nan 0.000 0.490 1008 E N -0.154 119.890 120.200 -0.260 0.000 2.140 1008 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 1008 E C 2.094 178.535 176.600 -0.266 0.000 0.973 1008 E CA 0.986 57.224 56.400 -0.270 0.000 0.829 1008 E CB -0.342 29.158 29.700 -0.334 0.000 0.781 1008 E HN 0.391 nan 8.360 nan 0.000 0.466 1009 T N -0.863 113.465 114.554 -0.376 0.000 3.088 1009 T HA -0.010 4.340 4.350 -0.000 0.000 0.259 1009 T C 0.448 175.041 174.700 -0.178 0.000 1.122 1009 T CA 0.153 62.061 62.100 -0.320 0.000 1.095 1009 T CB 0.050 68.635 68.868 -0.473 0.000 0.930 1009 T HN -0.056 nan 8.240 nan 0.000 0.508 1010 E N 0.930 121.048 120.200 -0.136 0.000 2.389 1010 E HA -0.208 4.142 4.350 -0.000 0.000 0.243 1010 E C -0.134 176.454 176.600 -0.019 0.000 1.154 1010 E CA 0.564 56.953 56.400 -0.018 0.000 0.723 1010 E CB -2.297 27.399 29.700 -0.007 0.000 1.261 1010 E HN 0.778 nan 8.360 nan 0.000 0.390 1011 Q N -1.337 118.383 119.800 -0.134 0.000 2.211 1011 Q HA 0.093 4.433 4.340 -0.000 0.000 0.231 1011 Q C 0.861 176.798 176.000 -0.105 0.000 0.865 1011 Q CA -0.258 55.484 55.803 -0.102 0.000 0.997 1011 Q CB -0.095 28.575 28.738 -0.114 0.000 1.101 1011 Q HN 0.393 nan 8.270 nan 0.000 0.468 1012 W N 0.921 122.217 121.300 -0.007 0.000 2.961 1012 W HA -0.026 4.634 4.660 -0.000 0.000 0.240 1012 W C 1.364 177.937 176.519 0.090 0.000 1.305 1012 W CA 0.373 57.734 57.345 0.027 0.000 1.465 1012 W CB 0.429 29.873 29.460 -0.027 0.000 1.135 1012 W HN 0.338 nan 8.180 nan 0.000 0.688 1013 E N 0.448 120.787 120.200 0.230 0.000 2.021 1013 E HA -0.142 4.208 4.350 -0.000 0.000 0.189 1013 E C 2.035 178.719 176.600 0.140 0.000 0.980 1013 E CA 0.822 57.318 56.400 0.161 0.000 0.803 1013 E CB -0.193 29.567 29.700 0.101 0.000 0.766 1013 E HN 0.030 nan 8.360 nan 0.000 0.449 1014 K N 0.531 121.000 120.400 0.114 0.000 2.366 1014 K HA -0.035 4.285 4.320 -0.000 0.000 0.198 1014 K C 1.768 178.424 176.600 0.092 0.000 1.044 1014 K CA 0.451 56.785 56.287 0.080 0.000 0.973 1014 K CB -0.277 32.255 32.500 0.053 0.000 0.767 1014 K HN 0.117 nan 8.250 nan 0.000 0.475 1015 F N 1.072 121.017 119.950 -0.009 0.000 2.234 1015 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 1015 F C 1.416 177.239 175.800 0.038 0.000 1.087 1015 F CA 1.728 59.712 58.000 -0.026 0.000 1.340 1015 F CB 0.315 39.248 39.000 -0.111 0.000 1.031 1015 F HN 0.236 nan 8.300 nan 0.000 0.500 1016 G N -0.208 108.689 108.800 0.162 0.000 3.134 1016 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.195 1016 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.195 1016 G C -0.017 174.998 174.900 0.192 0.000 1.054 1016 G CA -0.360 44.789 45.100 0.083 0.000 0.828 1016 G HN 0.652 nan 8.290 nan 0.000 0.462 1017 L N -0.842 120.607 121.223 0.376 0.000 0.585 1017 L HA 0.034 4.373 4.340 -0.000 0.000 0.356 1017 L C 0.932 177.900 176.870 0.163 0.000 0.995 1017 L CA 2.458 57.470 54.840 0.286 0.000 1.223 1017 L CB -0.676 41.491 42.059 0.180 0.000 0.010 1017 L HN 2.028 nan 8.230 nan 0.000 0.091 1018 E N 0.051 120.287 120.200 0.060 0.000 4.067 1018 E HA -0.310 4.039 4.350 -0.000 0.000 0.346 1018 E C 0.829 177.445 176.600 0.026 0.000 0.613 1018 E CA 2.326 58.732 56.400 0.010 0.000 1.252 1018 E CB -1.055 28.658 29.700 0.022 0.000 1.731 1018 E HN 0.724 nan 8.360 nan 0.000 0.406 1019 K N -0.087 120.387 120.400 0.122 0.000 2.444 1019 K HA 0.139 4.459 4.320 -0.000 0.000 0.193 1019 K C 1.891 178.571 176.600 0.133 0.000 1.024 1019 K CA 0.540 56.930 56.287 0.172 0.000 1.077 1019 K CB 0.109 32.795 32.500 0.310 0.000 0.833 1019 K HN 0.175 nan 8.250 nan 0.000 0.517 1020 R N 1.410 121.856 120.500 -0.090 0.000 2.073 1020 R HA -0.170 4.170 4.340 -0.000 0.000 0.229 1020 R C 2.246 178.400 176.300 -0.244 0.000 1.120 1020 R CA 1.411 57.248 56.100 -0.439 0.000 0.967 1020 R CB 0.083 29.623 30.300 -1.267 0.000 0.862 1020 R HN 0.019 nan 8.270 nan 0.000 0.436 1021 Q N 0.063 119.752 119.800 -0.184 0.000 2.135 1021 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 1021 Q C 1.757 177.722 176.000 -0.058 0.000 0.981 1021 Q CA 2.245 57.976 55.803 -0.119 0.000 0.856 1021 Q CB -0.724 27.960 28.738 -0.091 0.000 0.902 1021 Q HN 0.474 nan 8.270 nan 0.000 0.425 1022 G N -0.669 108.120 108.800 -0.019 0.000 2.471 1022 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.219 1022 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.219 1022 G C 1.375 176.292 174.900 0.029 0.000 1.125 1022 G CA 0.689 45.798 45.100 0.015 0.000 0.775 1022 G HN 0.508 nan 8.290 nan 0.000 0.548 1023 A N 0.508 123.348 122.820 0.034 0.000 1.930 1023 A HA 0.241 4.561 4.320 -0.000 0.000 0.215 1023 A C 2.267 179.861 177.584 0.018 0.000 1.176 1023 A CA 0.650 52.721 52.037 0.056 0.000 0.632 1023 A CB -0.228 18.843 19.000 0.119 0.000 0.819 1023 A HN 0.263 nan 8.150 nan 0.000 0.445 1024 L N 0.226 121.434 121.223 -0.025 0.000 2.083 1024 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 1024 L C 2.286 179.140 176.870 -0.026 0.000 1.083 1024 L CA 1.853 56.668 54.840 -0.041 0.000 0.752 1024 L CB -1.465 40.547 42.059 -0.078 0.000 0.899 1024 L HN 0.545 nan 8.230 nan 0.000 0.433 1025 E N -0.292 119.899 120.200 -0.015 0.000 2.150 1025 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 1025 E C 2.328 178.938 176.600 0.016 0.000 0.985 1025 E CA 0.672 57.071 56.400 -0.001 0.000 0.814 1025 E CB -0.009 29.693 29.700 0.003 0.000 0.752 1025 E HN 0.466 nan 8.360 nan 0.000 0.466 1026 L N 0.512 121.748 121.223 0.022 0.000 2.109 1026 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 1026 L C 2.356 179.246 176.870 0.033 0.000 1.086 1026 L CA 0.745 55.606 54.840 0.035 0.000 0.760 1026 L CB -0.292 41.793 42.059 0.044 0.000 0.910 1026 L HN 0.151 nan 8.230 nan 0.000 0.437 1027 I N -0.162 120.418 120.570 0.016 0.000 2.286 1027 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 1027 I C 2.444 178.561 176.117 0.001 0.000 1.104 1027 I CA 1.269 62.568 61.300 -0.001 0.000 1.397 1027 I CB -0.277 37.705 38.000 -0.030 0.000 1.072 1027 I HN 0.200 nan 8.210 nan 0.000 0.417 1028 K N 1.001 121.400 120.400 -0.002 0.000 2.057 1028 K HA -0.207 4.112 4.320 -0.000 0.000 0.206 1028 K C 2.176 178.841 176.600 0.110 0.000 1.050 1028 K CA 1.247 57.552 56.287 0.029 0.000 0.935 1028 K CB -0.150 32.351 32.500 0.001 0.000 0.715 1028 K HN 0.201 nan 8.250 nan 0.000 0.439 1029 K N 0.736 121.181 120.400 0.075 0.000 2.057 1029 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 1029 K C 2.193 178.850 176.600 0.095 0.000 1.050 1029 K CA 1.547 57.882 56.287 0.080 0.000 0.935 1029 K CB -0.251 32.284 32.500 0.059 0.000 0.715 1029 K HN 0.208 nan 8.250 nan 0.000 0.439 1030 G N -0.066 108.788 108.800 0.090 0.000 2.432 1030 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 1030 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 1030 G C 1.369 176.342 174.900 0.121 0.000 1.135 1030 G CA 0.886 46.043 45.100 0.097 0.000 0.767 1030 G HN 0.485 nan 8.290 nan 0.000 0.550 1031 Y N 1.915 122.194 120.300 -0.035 0.000 2.200 1031 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 1031 Y C 2.941 178.885 175.900 0.073 0.000 1.137 1031 Y CA 2.198 60.248 58.100 -0.082 0.000 1.163 1031 Y CB -0.405 37.913 38.460 -0.237 0.000 0.988 1031 Y HN 0.167 nan 8.280 nan 0.000 0.518 1032 T N 0.725 115.292 114.554 0.020 0.000 2.777 1032 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 1032 T C 1.701 176.393 174.700 -0.014 0.000 1.040 1032 T CA 1.821 63.895 62.100 -0.043 0.000 1.141 1032 T CB -0.248 68.658 68.868 0.064 0.000 0.868 1032 T HN 0.481 nan 8.240 nan 0.000 0.444 1033 Q N 0.517 120.359 119.800 0.070 0.000 2.084 1033 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 1033 Q C 2.471 178.637 176.000 0.278 0.000 0.978 1033 Q CA 1.283 57.175 55.803 0.147 0.000 0.844 1033 Q CB -0.212 28.642 28.738 0.193 0.000 0.898 1033 Q HN 0.358 nan 8.270 nan 0.000 0.426 1034 Q N 0.973 120.928 119.800 0.259 0.000 2.226 1034 Q HA -0.089 4.250 4.340 -0.000 0.000 0.204 1034 Q C 1.721 177.958 176.000 0.394 0.000 0.975 1034 Q CA 1.149 57.173 55.803 0.369 0.000 0.866 1034 Q CB -0.090 28.817 28.738 0.282 0.000 0.915 1034 Q HN 0.399 nan 8.270 nan 0.000 0.440 1035 L N -0.570 120.748 121.223 0.157 0.000 2.275 1035 L HA -0.048 4.292 4.340 -0.000 0.000 0.215 1035 L C 2.169 179.045 176.870 0.009 0.000 1.119 1035 L CA 0.760 55.644 54.840 0.073 0.000 0.790 1035 L CB -0.626 41.371 42.059 -0.103 0.000 0.919 1035 L HN 0.248 nan 8.230 nan 0.000 0.443 1036 A N -0.359 122.432 122.820 -0.048 0.000 2.067 1036 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 1036 A C 1.549 178.902 177.584 -0.386 0.000 1.158 1036 A CA 1.038 52.915 52.037 -0.267 0.000 0.661 1036 A CB -0.490 18.256 19.000 -0.424 0.000 0.801 1036 A HN 0.399 nan 8.150 nan 0.000 0.452 1037 F N -0.496 119.474 119.950 0.033 0.000 2.641 1037 F HA 0.274 4.801 4.527 -0.000 0.000 0.302 1037 F C 0.976 176.735 175.800 -0.068 0.000 1.098 1037 F CA -0.258 57.758 58.000 0.026 0.000 1.318 1037 F CB 0.176 39.217 39.000 0.068 0.000 1.035 1037 F HN 0.015 nan 8.300 nan 0.000 0.551 1038 R N 2.079 122.536 120.500 -0.071 0.000 2.216 1038 R HA 0.201 4.541 4.340 -0.000 0.000 0.332 1038 R C -0.075 176.027 176.300 -0.330 0.000 1.056 1038 R CA -0.167 55.664 56.100 -0.448 0.000 0.901 1038 R CB 0.485 30.513 30.300 -0.454 0.000 1.039 1038 R HN 0.307 nan 8.270 nan 0.000 0.456 1039 Q N 4.623 124.194 119.800 -0.382 0.000 2.368 1039 Q HA 0.129 4.469 4.340 -0.000 0.000 0.237 1039 Q C -1.651 174.198 176.000 -0.253 0.000 0.987 1039 Q CA -1.845 53.803 55.803 -0.257 0.000 0.896 1039 Q CB 0.867 29.461 28.738 -0.241 0.000 1.241 1039 Q HN 0.482 nan 8.270 nan 0.000 0.485 1040 P HA -0.167 nan 4.420 nan 0.000 0.221 1040 P C 0.703 177.929 177.300 -0.123 0.000 1.145 1040 P CA 1.274 64.303 63.100 -0.118 0.000 0.795 1040 P CB 0.139 31.798 31.700 -0.068 0.000 0.775 1041 S N -2.630 112.966 115.700 -0.173 0.000 2.701 1041 S HA 0.113 4.583 4.470 -0.000 0.000 0.220 1041 S C 0.936 175.354 174.600 -0.303 0.000 0.954 1041 S CA 0.294 58.396 58.200 -0.163 0.000 0.936 1041 S CB -1.026 62.087 63.200 -0.145 0.000 0.777 1041 S HN 0.009 nan 8.310 nan 0.000 0.518 1042 S N -0.569 114.939 115.700 -0.320 0.000 3.146 1042 S HA -0.175 4.295 4.470 -0.000 0.000 0.285 1042 S C 0.561 174.816 174.600 -0.575 0.000 1.293 1042 S CA 0.775 58.769 58.200 -0.342 0.000 1.137 1042 S CB -2.149 60.980 63.200 -0.117 0.000 1.357 1042 S HN 1.262 nan 8.310 nan 0.000 0.678 1043 A N -0.276 122.030 122.820 -0.857 0.000 2.247 1043 A HA 0.881 5.201 4.320 -0.000 0.000 0.313 1043 A C -0.296 176.753 177.584 -0.892 0.000 1.109 1043 A CA -0.346 51.068 52.037 -1.039 0.000 0.890 1043 A CB 0.567 18.430 19.000 -1.894 0.000 1.239 1043 A HN 0.256 nan 8.150 nan 0.000 0.506 1044 F N -1.651 118.065 119.950 -0.390 0.000 2.593 1044 F HA 0.760 5.286 4.527 -0.000 0.000 0.320 1044 F C 0.505 176.227 175.800 -0.130 0.000 1.060 1044 F CA 0.286 58.169 58.000 -0.196 0.000 0.940 1044 F CB 2.442 41.347 39.000 -0.158 0.000 1.268 1044 F HN 0.871 nan 8.300 nan 0.000 0.475 1045 A N 0.245 123.140 122.820 0.125 0.000 2.564 1045 A HA 0.696 5.016 4.320 -0.000 0.000 0.291 1045 A C 0.123 177.687 177.584 -0.034 0.000 1.102 1045 A CA -0.164 51.911 52.037 0.062 0.000 0.660 1045 A CB 0.360 19.398 19.000 0.063 0.000 1.283 1045 A HN 1.037 nan 8.150 nan 0.000 0.430 1046 A N -0.613 122.135 122.820 -0.120 0.000 1.940 1046 A HA 0.389 4.709 4.320 -0.000 0.000 0.219 1046 A C 0.402 177.486 177.584 -0.832 0.000 1.176 1046 A CA 1.836 53.577 52.037 -0.492 0.000 0.631 1046 A CB -0.518 18.234 19.000 -0.413 0.000 0.814 1046 A HN 0.977 nan 8.150 nan 0.000 0.446 1047 F N -3.667 116.365 119.950 0.138 0.000 2.664 1047 F HA 0.399 4.926 4.527 -0.000 0.000 0.317 1047 F C 0.899 176.799 175.800 0.167 0.000 1.108 1047 F CA -0.432 57.701 58.000 0.222 0.000 0.957 1047 F CB 1.662 40.751 39.000 0.148 0.000 1.365 1047 F HN -0.126 nan 8.300 nan 0.000 0.475 1048 V N -1.551 118.569 119.914 0.344 0.000 3.444 1048 V HA 0.016 4.136 4.120 -0.000 0.000 0.271 1048 V C 0.869 177.033 176.094 0.118 0.000 1.188 1048 V CA 1.354 63.748 62.300 0.155 0.000 1.168 1048 V CB -1.146 30.720 31.823 0.071 0.000 0.810 1048 V HN 0.836 nan 8.190 nan 0.000 0.500 1049 K N 0.326 120.827 120.400 0.168 0.000 2.367 1049 K HA 0.246 4.566 4.320 -0.000 0.000 0.198 1049 K C 1.272 177.941 176.600 0.114 0.000 1.132 1049 K CA -0.409 55.940 56.287 0.103 0.000 0.941 1049 K CB 0.288 32.825 32.500 0.061 0.000 1.052 1049 K HN 0.381 nan 8.250 nan 0.000 0.507 1050 R N 1.915 122.527 120.500 0.187 0.000 2.643 1050 R HA 0.186 4.526 4.340 -0.000 0.000 0.270 1050 R C -0.464 175.910 176.300 0.123 0.000 1.061 1050 R CA -0.003 56.200 56.100 0.172 0.000 1.107 1050 R CB 0.493 30.952 30.300 0.265 0.000 0.999 1050 R HN 0.114 nan 8.270 nan 0.000 0.460 1051 A N 5.544 128.429 122.820 0.108 0.000 2.531 1051 A HA 0.205 4.525 4.320 -0.000 0.000 0.236 1051 A C -2.073 175.579 177.584 0.112 0.000 1.062 1051 A CA -1.056 51.044 52.037 0.105 0.000 0.760 1051 A CB -0.223 18.842 19.000 0.108 0.000 0.995 1051 A HN 0.581 nan 8.150 nan 0.000 0.501 1052 P HA 0.071 nan 4.420 nan 0.000 0.264 1052 P C -0.298 177.131 177.300 0.214 0.000 1.193 1052 P CA 0.368 63.513 63.100 0.075 0.000 0.763 1052 P CB 0.672 32.395 31.700 0.037 0.000 0.810 1053 S N 2.075 117.888 115.700 0.187 0.000 2.422 1053 S HA 0.188 4.658 4.470 -0.000 0.000 0.298 1053 S C 1.302 176.137 174.600 0.391 0.000 1.118 1053 S CA -0.350 58.010 58.200 0.267 0.000 1.083 1053 S CB -0.098 63.233 63.200 0.218 0.000 0.971 1053 S HN 0.349 nan 8.310 nan 0.000 0.478 1054 T N 4.603 119.427 114.554 0.450 0.000 2.720 1054 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 1054 T C 1.202 176.135 174.700 0.388 0.000 1.037 1054 T CA 1.623 64.008 62.100 0.474 0.000 1.144 1054 T CB -0.338 68.718 68.868 0.312 0.000 0.864 1054 T HN 0.885 nan 8.240 nan 0.000 0.444 1055 W N 1.284 122.683 121.300 0.164 0.000 2.378 1055 W HA -0.005 4.655 4.660 -0.000 0.000 0.313 1055 W C 1.963 178.574 176.519 0.154 0.000 1.197 1055 W CA 0.426 57.837 57.345 0.110 0.000 1.304 1055 W CB -0.582 28.853 29.460 -0.042 0.000 1.148 1055 W HN 0.113 nan 8.180 nan 0.000 0.494 1056 L N 0.806 122.299 121.223 0.450 0.000 2.042 1056 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 1056 L C 2.295 179.179 176.870 0.023 0.000 1.076 1056 L CA 2.801 57.776 54.840 0.226 0.000 0.749 1056 L CB -1.371 40.843 42.059 0.258 0.000 0.893 1056 L HN -0.029 nan 8.230 nan 0.000 0.432 1057 T N -0.223 114.413 114.554 0.136 0.000 2.746 1057 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 1057 T C 1.864 176.575 174.700 0.018 0.000 1.039 1057 T CA 1.378 63.569 62.100 0.151 0.000 1.142 1057 T CB -0.509 68.530 68.868 0.285 0.000 0.866 1057 T HN 0.533 nan 8.240 nan 0.000 0.444 1058 A N 0.101 122.926 122.820 0.009 0.000 1.968 1058 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 1058 A C 2.068 179.514 177.584 -0.230 0.000 1.169 1058 A CA 1.123 53.099 52.037 -0.100 0.000 0.638 1058 A CB -0.842 18.115 19.000 -0.073 0.000 0.812 1058 A HN 0.592 nan 8.150 nan 0.000 0.446 1059 Y N 0.487 120.525 120.300 -0.436 0.000 2.200 1059 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 1059 Y C 2.279 177.905 175.900 -0.458 0.000 1.137 1059 Y CA 1.738 59.521 58.100 -0.528 0.000 1.163 1059 Y CB -0.201 37.701 38.460 -0.929 0.000 0.988 1059 Y HN 0.062 nan 8.280 nan 0.000 0.518 1060 V N -0.709 118.947 119.914 -0.430 0.000 2.324 1060 V HA -0.351 3.768 4.120 -0.000 0.000 0.250 1060 V C 2.304 178.002 176.094 -0.660 0.000 1.060 1060 V CA 1.879 63.754 62.300 -0.709 0.000 1.042 1060 V CB -0.936 30.137 31.823 -1.250 0.000 0.650 1060 V HN 0.362 nan 8.190 nan 0.000 0.450 1061 V N -0.108 119.529 119.914 -0.462 0.000 2.407 1061 V HA -0.295 3.824 4.120 -0.000 0.000 0.248 1061 V C 2.405 178.367 176.094 -0.220 0.000 1.055 1061 V CA 2.331 64.471 62.300 -0.267 0.000 1.049 1061 V CB -0.742 30.977 31.823 -0.174 0.000 0.662 1061 V HN 0.580 nan 8.190 nan 0.000 0.455 1062 K N 0.058 120.237 120.400 -0.368 0.000 2.057 1062 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 1062 K C 2.009 178.440 176.600 -0.282 0.000 1.049 1062 K CA 1.772 57.840 56.287 -0.366 0.000 0.931 1062 K CB -0.107 32.039 32.500 -0.589 0.000 0.714 1062 K HN 0.364 nan 8.250 nan 0.000 0.440 1063 V N 0.641 120.294 119.914 -0.435 0.000 2.407 1063 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 1063 V C 2.054 178.204 176.094 0.093 0.000 1.041 1063 V CA 1.264 63.425 62.300 -0.232 0.000 1.040 1063 V CB -0.538 31.080 31.823 -0.342 0.000 0.671 1063 V HN 0.189 nan 8.190 nan 0.000 0.455 1064 F N 1.200 121.051 119.950 -0.165 0.000 2.134 1064 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 1064 F C 2.655 178.426 175.800 -0.048 0.000 1.097 1064 F CA 1.529 59.492 58.000 -0.062 0.000 1.264 1064 F CB -1.081 37.905 39.000 -0.024 0.000 1.001 1064 F HN 0.063 nan 8.300 nan 0.000 0.479 1065 S N -0.060 115.719 115.700 0.131 0.000 2.507 1065 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 1065 S C 2.028 176.649 174.600 0.034 0.000 0.988 1065 S CA 0.572 58.807 58.200 0.060 0.000 0.944 1065 S CB -0.331 62.882 63.200 0.020 0.000 0.762 1065 S HN 0.369 nan 8.310 nan 0.000 0.526 1066 L N 0.351 121.596 121.223 0.037 0.000 2.408 1066 L HA 0.315 4.654 4.340 -0.000 0.000 0.215 1066 L C 1.938 178.819 176.870 0.018 0.000 1.081 1066 L CA 0.417 55.265 54.840 0.012 0.000 0.840 1066 L CB -0.212 41.849 42.059 0.004 0.000 1.002 1066 L HN 0.281 nan 8.230 nan 0.000 0.468 1067 A N -0.744 122.074 122.820 -0.005 0.000 2.251 1067 A HA 0.069 4.389 4.320 -0.000 0.000 0.209 1067 A C 1.914 179.443 177.584 -0.091 0.000 1.187 1067 A CA 0.746 52.749 52.037 -0.056 0.000 0.823 1067 A CB -0.627 18.290 19.000 -0.139 0.000 0.846 1067 A HN 0.365 nan 8.150 nan 0.000 0.486 1068 V N -2.213 117.669 119.914 -0.054 0.000 2.759 1068 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 1068 V C 1.248 177.314 176.094 -0.047 0.000 1.080 1068 V CA 2.066 64.330 62.300 -0.060 0.000 1.101 1068 V CB -0.871 30.940 31.823 -0.019 0.000 0.698 1068 V HN 0.438 nan 8.190 nan 0.000 0.477 1069 N N 0.008 118.698 118.700 -0.017 0.000 2.336 1069 N HA 0.292 5.031 4.740 -0.000 0.000 0.189 1069 N C 1.279 176.776 175.510 -0.023 0.000 1.113 1069 N CA 0.718 53.762 53.050 -0.009 0.000 0.858 1069 N CB 0.486 38.989 38.487 0.025 0.000 0.970 1069 N HN 0.515 nan 8.380 nan 0.000 0.471 1070 L N -0.571 120.628 121.223 -0.041 0.000 2.515 1070 L HA 0.388 4.728 4.340 -0.000 0.000 0.202 1070 L C 1.003 177.817 176.870 -0.094 0.000 1.056 1070 L CA 0.309 55.117 54.840 -0.054 0.000 0.847 1070 L CB 0.095 42.135 42.059 -0.031 0.000 1.131 1070 L HN 0.018 nan 8.230 nan 0.000 0.484 1071 I N -2.977 117.511 120.570 -0.137 0.000 3.516 1071 I HA 0.758 4.928 4.170 -0.000 0.000 0.297 1071 I C -0.562 175.425 176.117 -0.217 0.000 1.139 1071 I CA -1.156 60.034 61.300 -0.184 0.000 1.020 1071 I CB 1.813 39.666 38.000 -0.246 0.000 1.341 1071 I HN -0.188 nan 8.210 nan 0.000 0.490 1072 A N 2.701 125.364 122.820 -0.262 0.000 2.252 1072 A HA 0.665 4.985 4.320 -0.000 0.000 0.309 1072 A C -0.520 176.822 177.584 -0.403 0.000 1.285 1072 A CA -0.394 51.500 52.037 -0.239 0.000 0.900 1072 A CB -0.059 18.850 19.000 -0.152 0.000 1.157 1072 A HN 0.464 nan 8.150 nan 0.000 0.536 1073 I N 2.679 123.082 120.570 -0.277 0.000 2.339 1073 I HA 0.185 4.355 4.170 -0.000 0.000 0.290 1073 I C -0.112 176.016 176.117 0.017 0.000 0.994 1073 I CA -0.628 60.537 61.300 -0.224 0.000 1.191 1073 I CB 1.372 39.309 38.000 -0.105 0.000 1.343 1073 I HN 0.625 nan 8.210 nan 0.000 0.458 1074 D N 4.051 124.555 120.400 0.174 0.000 2.401 1074 D HA 0.058 4.698 4.640 -0.000 0.000 0.254 1074 D C 1.054 177.455 176.300 0.167 0.000 1.192 1074 D CA 0.451 54.559 54.000 0.181 0.000 0.885 1074 D CB 1.099 42.044 40.800 0.241 0.000 1.147 1074 D HN 0.417 nan 8.370 nan 0.000 0.478 1075 S N 2.997 118.761 115.700 0.107 0.000 2.419 1075 S HA -0.159 4.310 4.470 -0.000 0.000 0.233 1075 S C 1.694 176.353 174.600 0.097 0.000 1.016 1075 S CA 0.661 58.917 58.200 0.093 0.000 0.974 1075 S CB 0.005 63.242 63.200 0.062 0.000 0.786 1075 S HN 0.575 nan 8.310 nan 0.000 0.492 1076 Q N 0.569 120.426 119.800 0.095 0.000 2.167 1076 Q HA -0.009 4.331 4.340 -0.000 0.000 0.202 1076 Q C 2.338 178.394 176.000 0.092 0.000 0.970 1076 Q CA 0.954 56.805 55.803 0.080 0.000 0.855 1076 Q CB -0.499 28.278 28.738 0.065 0.000 0.911 1076 Q HN 0.476 nan 8.270 nan 0.000 0.438 1077 V N 0.583 120.581 119.914 0.140 0.000 2.331 1077 V HA -0.172 3.947 4.120 -0.000 0.000 0.242 1077 V C 2.241 178.443 176.094 0.180 0.000 1.034 1077 V CA 0.979 63.380 62.300 0.168 0.000 1.027 1077 V CB -0.635 31.351 31.823 0.272 0.000 0.667 1077 V HN 0.188 nan 8.190 nan 0.000 0.457 1078 L N 0.428 121.775 121.223 0.206 0.000 1.989 1078 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 1078 L C 2.343 179.276 176.870 0.106 0.000 1.071 1078 L CA 2.335 57.272 54.840 0.161 0.000 0.749 1078 L CB -0.879 41.288 42.059 0.180 0.000 0.890 1078 L HN 0.385 nan 8.230 nan 0.000 0.431 1079 c N -0.036 118.623 118.600 0.098 0.000 2.448 1079 c HA 0.070 4.640 4.570 -0.000 0.000 0.280 1079 c C 2.720 176.864 174.090 0.089 0.000 1.398 1079 c CA 0.246 56.623 56.329 0.080 0.000 1.774 1079 c CB -1.955 40.596 42.510 0.068 0.000 1.888 1079 c HN 0.764 nan 8.230 nan 0.000 0.519 1080 G N 0.764 109.618 108.800 0.090 0.000 2.418 1080 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.217 1080 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.217 1080 G C 1.852 176.821 174.900 0.116 0.000 1.158 1080 G CA 0.952 46.101 45.100 0.082 0.000 0.771 1080 G HN 0.588 nan 8.290 nan 0.000 0.545 1081 A N -0.036 122.860 122.820 0.126 0.000 1.968 1081 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 1081 A C 2.548 180.272 177.584 0.233 0.000 1.169 1081 A CA 1.534 53.681 52.037 0.185 0.000 0.638 1081 A CB -0.344 18.786 19.000 0.216 0.000 0.812 1081 A HN 0.234 nan 8.150 nan 0.000 0.446 1082 V N 0.218 120.222 119.914 0.151 0.000 2.307 1082 V HA -0.229 3.890 4.120 -0.000 0.000 0.245 1082 V C 2.492 178.676 176.094 0.150 0.000 1.045 1082 V CA 2.252 64.625 62.300 0.122 0.000 1.024 1082 V CB -0.590 31.276 31.823 0.072 0.000 0.651 1082 V HN 0.682 nan 8.190 nan 0.000 0.449 1083 K N -1.212 119.277 120.400 0.149 0.000 2.147 1083 K HA -0.260 4.060 4.320 -0.000 0.000 0.205 1083 K C 1.995 178.701 176.600 0.175 0.000 1.049 1083 K CA 1.837 58.205 56.287 0.134 0.000 0.936 1083 K CB -0.246 32.322 32.500 0.113 0.000 0.722 1083 K HN 0.585 nan 8.250 nan 0.000 0.446 1084 W N 1.339 122.667 121.300 0.046 0.000 2.379 1084 W HA -0.118 4.542 4.660 -0.000 0.000 0.307 1084 W C 1.380 177.950 176.519 0.084 0.000 1.200 1084 W CA 1.205 58.580 57.345 0.050 0.000 1.297 1084 W CB -0.246 29.235 29.460 0.036 0.000 1.140 1084 W HN -0.037 nan 8.180 nan 0.000 0.507 1085 L N 0.210 121.529 121.223 0.161 0.000 2.079 1085 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 1085 L C 2.348 179.274 176.870 0.093 0.000 1.081 1085 L CA 1.397 56.258 54.840 0.036 0.000 0.752 1085 L CB -0.790 41.368 42.059 0.166 0.000 0.896 1085 L HN 0.067 nan 8.230 nan 0.000 0.433 1086 I N -0.583 120.047 120.570 0.100 0.000 2.141 1086 I HA -0.261 3.909 4.170 -0.000 0.000 0.236 1086 I C 2.357 178.442 176.117 -0.053 0.000 1.071 1086 I CA 1.240 62.582 61.300 0.070 0.000 1.345 1086 I CB -0.256 37.789 38.000 0.074 0.000 1.066 1086 I HN 0.149 nan 8.210 nan 0.000 0.406 1087 L N 0.053 121.241 121.223 -0.059 0.000 2.056 1087 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 1087 L C 2.626 179.405 176.870 -0.151 0.000 1.078 1087 L CA 1.150 55.942 54.840 -0.080 0.000 0.749 1087 L CB -0.532 41.508 42.059 -0.031 0.000 0.901 1087 L HN 0.272 nan 8.230 nan 0.000 0.433 1088 E N 0.205 120.240 120.200 -0.274 0.000 2.035 1088 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 1088 E C 0.821 177.190 176.600 -0.386 0.000 0.966 1088 E CA 0.714 56.889 56.400 -0.376 0.000 0.823 1088 E CB 0.006 29.300 29.700 -0.676 0.000 0.791 1088 E HN 0.135 nan 8.360 nan 0.000 0.459 1089 K N 1.851 121.932 120.400 -0.533 0.000 2.758 1089 K HA 0.215 4.535 4.320 -0.000 0.000 0.250 1089 K C -0.249 176.231 176.600 -0.200 0.000 1.268 1089 K CA -0.019 56.061 56.287 -0.345 0.000 1.228 1089 K CB 0.162 32.410 32.500 -0.420 0.000 1.715 1089 K HN 0.172 nan 8.250 nan 0.000 0.334 1090 Q N 1.214 120.847 119.800 -0.279 0.000 2.331 1090 Q HA 0.179 4.519 4.340 -0.000 0.000 0.249 1090 Q C -1.194 174.611 176.000 -0.326 0.000 0.913 1090 Q CA -0.395 55.141 55.803 -0.445 0.000 0.874 1090 Q CB 1.450 29.851 28.738 -0.562 0.000 1.384 1090 Q HN 0.144 nan 8.270 nan 0.000 0.427 1091 K N 3.372 123.581 120.400 -0.318 0.000 2.138 1091 K HA 0.239 4.559 4.320 -0.000 0.000 0.251 1091 K C -1.830 174.641 176.600 -0.214 0.000 1.015 1091 K CA -1.705 54.449 56.287 -0.223 0.000 0.917 1091 K CB 0.569 32.954 32.500 -0.191 0.000 1.021 1091 K HN 0.356 nan 8.250 nan 0.000 0.485 1092 P HA -0.162 nan 4.420 nan 0.000 0.222 1092 P C -0.112 177.120 177.300 -0.112 0.000 1.142 1092 P CA 1.231 64.264 63.100 -0.112 0.000 0.788 1092 P CB 0.178 31.833 31.700 -0.075 0.000 0.767 1093 D N -1.640 118.675 120.400 -0.142 0.000 2.317 1093 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 1093 D C 1.687 177.878 176.300 -0.182 0.000 0.966 1093 D CA 1.332 55.258 54.000 -0.125 0.000 0.876 1093 D CB -0.562 40.149 40.800 -0.148 0.000 0.927 1093 D HN 0.181 nan 8.370 nan 0.000 0.519 1094 G N -0.046 108.583 108.800 -0.284 0.000 2.141 1094 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 1094 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 1094 G C 0.188 174.746 174.900 -0.570 0.000 0.984 1094 G CA 0.192 45.085 45.100 -0.345 0.000 0.660 1094 G HN 0.283 nan 8.290 nan 0.000 0.525 1095 V N 0.840 120.359 119.914 -0.659 0.000 2.481 1095 V HA 0.693 4.813 4.120 -0.000 0.000 0.286 1095 V C 0.272 176.030 176.094 -0.561 0.000 1.042 1095 V CA -0.601 61.288 62.300 -0.685 0.000 0.928 1095 V CB 1.153 32.536 31.823 -0.733 0.000 0.986 1095 V HN 0.205 nan 8.190 nan 0.000 0.462 1096 F N 3.045 122.904 119.950 -0.152 0.000 2.408 1096 F HA 0.539 5.066 4.527 -0.000 0.000 0.344 1096 F C 0.357 176.137 175.800 -0.033 0.000 1.112 1096 F CA -0.172 57.786 58.000 -0.069 0.000 1.096 1096 F CB 1.239 40.239 39.000 0.001 0.000 1.129 1096 F HN 0.435 nan 8.300 nan 0.000 0.486 1097 Q N 2.117 121.987 119.800 0.118 0.000 2.342 1097 Q HA 0.344 4.684 4.340 -0.000 0.000 0.267 1097 Q C -1.217 174.854 176.000 0.119 0.000 1.038 1097 Q CA -1.050 54.805 55.803 0.086 0.000 0.832 1097 Q CB 2.001 30.749 28.738 0.017 0.000 1.323 1097 Q HN 0.610 nan 8.270 nan 0.000 0.448 1098 E N 1.961 122.233 120.200 0.120 0.000 2.200 1098 E HA 0.120 4.469 4.350 -0.000 0.000 0.283 1098 E C -0.839 175.823 176.600 0.103 0.000 1.015 1098 E CA 0.058 56.539 56.400 0.135 0.000 0.819 1098 E CB 1.030 30.803 29.700 0.122 0.000 1.081 1098 E HN 0.579 nan 8.360 nan 0.000 0.397 1099 D N 3.071 123.546 120.400 0.125 0.000 2.431 1099 D HA 0.174 4.814 4.640 -0.000 0.000 0.235 1099 D C -0.260 176.101 176.300 0.101 0.000 0.980 1099 D CA 0.600 54.662 54.000 0.104 0.000 0.912 1099 D CB 0.431 41.302 40.800 0.118 0.000 1.056 1099 D HN 0.374 nan 8.370 nan 0.000 0.494 1100 A N 1.731 124.628 122.820 0.128 0.000 2.802 1100 A HA 0.514 4.834 4.320 -0.000 0.000 0.344 1100 A C -2.615 175.026 177.584 0.094 0.000 1.215 1100 A CA -1.280 50.822 52.037 0.107 0.000 0.821 1100 A CB 0.545 19.620 19.000 0.124 0.000 1.099 1100 A HN -0.154 nan 8.150 nan 0.000 0.479 1101 P HA 0.136 nan 4.420 nan 0.000 0.264 1101 P C 0.576 177.869 177.300 -0.012 0.000 1.183 1101 P CA 0.165 63.267 63.100 0.003 0.000 0.763 1101 P CB 0.635 32.317 31.700 -0.030 0.000 0.807 1102 V N 1.697 121.579 119.914 -0.053 0.000 2.872 1102 V HA -0.025 4.095 4.120 -0.000 0.000 0.307 1102 V C 1.459 177.506 176.094 -0.078 0.000 1.072 1102 V CA 0.102 62.372 62.300 -0.050 0.000 1.148 1102 V CB -0.354 31.417 31.823 -0.086 0.000 0.954 1102 V HN 0.334 nan 8.190 nan 0.000 0.490 1103 I N 1.986 122.520 120.570 -0.059 0.000 2.208 1103 I HA -0.121 4.048 4.170 -0.000 0.000 0.245 1103 I C 1.650 177.634 176.117 -0.222 0.000 1.097 1103 I CA 1.279 62.499 61.300 -0.134 0.000 1.363 1103 I CB -0.880 37.020 38.000 -0.167 0.000 1.051 1103 I HN 0.699 nan 8.210 nan 0.000 0.413 1104 H N 2.989 121.991 119.070 -0.113 0.000 3.067 1104 H HA 0.147 4.702 4.556 -0.000 0.000 0.265 1104 H C 0.567 175.757 175.328 -0.230 0.000 1.234 1104 H CA -0.062 55.901 56.048 -0.143 0.000 1.452 1104 H CB 0.530 30.198 29.762 -0.157 0.000 1.527 1104 H HN 0.343 nan 8.280 nan 0.000 0.486 1105 Q N 1.865 121.593 119.800 -0.120 0.000 2.444 1105 Q HA -0.068 4.271 4.340 -0.000 0.000 0.206 1105 Q C 1.492 177.367 176.000 -0.208 0.000 0.948 1105 Q CA 0.369 56.057 55.803 -0.191 0.000 0.946 1105 Q CB 0.413 29.076 28.738 -0.125 0.000 1.027 1105 Q HN 0.747 nan 8.270 nan 0.000 0.513 1106 E N -0.115 119.966 120.200 -0.198 0.000 2.415 1106 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 1106 E C 1.666 178.082 176.600 -0.305 0.000 1.007 1106 E CA 0.249 56.489 56.400 -0.267 0.000 0.890 1106 E CB -0.220 29.209 29.700 -0.451 0.000 0.891 1106 E HN 0.434 nan 8.360 nan 0.000 0.496 1107 M N 0.445 119.859 119.600 -0.309 0.000 2.558 1107 M HA 0.241 4.721 4.480 -0.000 0.000 0.255 1107 M C 2.058 178.156 176.300 -0.336 0.000 1.113 1107 M CA 0.744 55.873 55.300 -0.286 0.000 1.097 1107 M CB -0.592 31.845 32.600 -0.272 0.000 1.426 1107 M HN 0.074 nan 8.290 nan 0.000 0.488 1108 I N -2.105 118.122 120.570 -0.571 0.000 3.578 1108 I HA 0.435 4.604 4.170 -0.000 0.000 0.295 1108 I C 1.362 177.300 176.117 -0.299 0.000 1.280 1108 I CA 0.350 61.208 61.300 -0.737 0.000 1.347 1108 I CB -0.822 36.478 38.000 -1.166 0.000 1.051 1108 I HN 0.473 nan 8.210 nan 0.000 0.460 1109 G N 2.132 110.762 108.800 -0.284 0.000 2.601 1109 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.306 1109 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.306 1109 G C 0.909 175.427 174.900 -0.637 0.000 1.172 1109 G CA 0.227 45.134 45.100 -0.323 0.000 0.966 1109 G HN 0.670 nan 8.290 nan 0.000 0.542 1110 G N -0.505 107.977 108.800 -0.530 0.000 3.181 1110 G HA2 0.437 4.397 3.960 -0.000 0.000 0.219 1110 G HA3 0.437 4.397 3.960 -0.000 0.000 0.219 1110 G C 1.105 175.727 174.900 -0.462 0.000 1.182 1110 G CA 0.991 45.541 45.100 -0.916 0.000 0.791 1110 G HN 0.553 nan 8.290 nan 0.000 0.537 1111 L N -0.631 120.458 121.223 -0.224 0.000 2.640 1111 L HA 0.392 4.732 4.340 -0.000 0.000 0.230 1111 L C 2.378 179.169 176.870 -0.132 0.000 1.123 1111 L CA 0.122 54.887 54.840 -0.124 0.000 0.900 1111 L CB -0.036 41.923 42.059 -0.167 0.000 1.146 1111 L HN 0.129 nan 8.230 nan 0.000 0.484 1112 R N 0.463 120.898 120.500 -0.109 0.000 2.070 1112 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 1112 R C 0.843 177.137 176.300 -0.010 0.000 1.138 1112 R CA 1.151 57.216 56.100 -0.059 0.000 0.936 1112 R CB -0.044 30.272 30.300 0.027 0.000 0.839 1112 R HN 0.249 nan 8.270 nan 0.000 0.429 1113 N N 1.859 120.586 118.700 0.044 0.000 2.405 1113 N HA -0.053 4.687 4.740 -0.000 0.000 0.260 1113 N C -1.596 173.905 175.510 -0.015 0.000 1.152 1113 N CA -0.200 52.836 53.050 -0.025 0.000 0.948 1113 N CB 0.475 38.893 38.487 -0.114 0.000 1.111 1113 N HN 0.253 nan 8.380 nan 0.000 0.485 1114 N N 2.411 121.103 118.700 -0.012 0.000 2.955 1114 N HA 0.085 4.825 4.740 -0.000 0.000 0.242 1114 N C 0.002 175.522 175.510 0.017 0.000 1.123 1114 N CA -0.555 52.501 53.050 0.011 0.000 0.949 1114 N CB 0.504 38.998 38.487 0.011 0.000 1.214 1114 N HN 0.386 nan 8.380 nan 0.000 0.504 1115 N N 1.814 120.526 118.700 0.021 0.000 2.416 1115 N HA -0.057 4.683 4.740 -0.000 0.000 0.177 1115 N C -0.615 174.920 175.510 0.042 0.000 1.036 1115 N CA 0.830 53.893 53.050 0.022 0.000 0.901 1115 N CB 0.315 38.810 38.487 0.013 0.000 0.976 1115 N HN 0.621 nan 8.380 nan 0.000 0.444 1116 E N -0.424 119.815 120.200 0.066 0.000 3.909 1116 E HA 0.065 4.415 4.350 -0.000 0.000 0.236 1116 E C 0.007 176.679 176.600 0.119 0.000 1.222 1116 E CA -0.209 56.245 56.400 0.089 0.000 1.205 1116 E CB 1.087 30.840 29.700 0.088 0.000 1.249 1116 E HN -0.016 nan 8.360 nan 0.000 0.411 1117 K N 1.069 121.530 120.400 0.102 0.000 2.074 1117 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 1117 K C 1.135 177.828 176.600 0.154 0.000 1.048 1117 K CA 1.953 58.305 56.287 0.109 0.000 0.926 1117 K CB 0.090 32.636 32.500 0.076 0.000 0.713 1117 K HN 0.159 nan 8.250 nan 0.000 0.444 1118 D N -0.266 120.237 120.400 0.171 0.000 2.087 1118 D HA -0.174 4.466 4.640 -0.000 0.000 0.192 1118 D C 1.893 178.404 176.300 0.352 0.000 0.993 1118 D CA 1.375 55.512 54.000 0.228 0.000 0.828 1118 D CB -0.159 40.808 40.800 0.280 0.000 0.968 1118 D HN 0.191 nan 8.370 nan 0.000 0.448 1119 M N 0.556 120.369 119.600 0.355 0.000 2.117 1119 M HA -0.051 4.428 4.480 -0.000 0.000 0.262 1119 M C 2.265 178.738 176.300 0.288 0.000 1.065 1119 M CA 0.859 56.366 55.300 0.345 0.000 1.114 1119 M CB -1.090 31.613 32.600 0.172 0.000 1.361 1119 M HN -0.016 nan 8.290 nan 0.000 0.408 1120 A N 0.315 123.280 122.820 0.243 0.000 1.841 1120 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 1120 A C 2.211 179.962 177.584 0.279 0.000 1.195 1120 A CA 1.350 53.533 52.037 0.243 0.000 0.611 1120 A CB -1.047 18.101 19.000 0.248 0.000 0.835 1120 A HN 0.397 nan 8.150 nan 0.000 0.443 1121 L N 0.028 121.411 121.223 0.267 0.000 2.042 1121 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 1121 L C 2.400 179.465 176.870 0.324 0.000 1.076 1121 L CA 2.861 57.880 54.840 0.297 0.000 0.749 1121 L CB -1.156 41.051 42.059 0.248 0.000 0.893 1121 L HN 0.393 nan 8.230 nan 0.000 0.432 1122 T N -0.232 114.525 114.554 0.338 0.000 2.833 1122 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 1122 T C 1.853 176.751 174.700 0.330 0.000 1.054 1122 T CA 1.240 63.594 62.100 0.422 0.000 1.135 1122 T CB -0.431 68.655 68.868 0.364 0.000 0.869 1122 T HN 0.533 nan 8.240 nan 0.000 0.466 1123 A N 0.545 123.536 122.820 0.285 0.000 1.930 1123 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 1123 A C 1.956 179.636 177.584 0.160 0.000 1.176 1123 A CA 0.768 52.925 52.037 0.200 0.000 0.632 1123 A CB -0.788 18.314 19.000 0.169 0.000 0.819 1123 A HN 0.475 nan 8.150 nan 0.000 0.445 1124 F N 0.803 120.795 119.950 0.070 0.000 2.075 1124 F HA -0.155 4.371 4.527 -0.000 0.000 0.297 1124 F C 2.220 177.990 175.800 -0.049 0.000 1.113 1124 F CA 2.136 60.172 58.000 0.061 0.000 1.218 1124 F CB -0.209 38.879 39.000 0.146 0.000 0.984 1124 F HN 0.025 nan 8.300 nan 0.000 0.472 1125 V N 0.493 120.416 119.914 0.015 0.000 2.407 1125 V HA -0.267 3.852 4.120 -0.000 0.000 0.248 1125 V C 2.293 178.143 176.094 -0.406 0.000 1.055 1125 V CA 1.600 63.690 62.300 -0.351 0.000 1.049 1125 V CB -0.846 30.475 31.823 -0.836 0.000 0.662 1125 V HN 0.432 nan 8.190 nan 0.000 0.455 1126 L N 0.204 121.287 121.223 -0.234 0.000 2.017 1126 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 1126 L C 2.198 179.004 176.870 -0.108 0.000 1.073 1126 L CA 1.925 56.713 54.840 -0.086 0.000 0.745 1126 L CB -0.537 41.562 42.059 0.066 0.000 0.894 1126 L HN 0.228 nan 8.230 nan 0.000 0.432 1127 I N -1.091 119.410 120.570 -0.116 0.000 2.264 1127 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 1127 I C 2.339 178.368 176.117 -0.145 0.000 1.111 1127 I CA 1.371 62.608 61.300 -0.105 0.000 1.382 1127 I CB -0.519 37.486 38.000 0.008 0.000 1.060 1127 I HN 0.228 nan 8.210 nan 0.000 0.418 1128 S N 0.972 116.522 115.700 -0.251 0.000 2.382 1128 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 1128 S C 1.986 176.492 174.600 -0.157 0.000 1.027 1128 S CA 1.188 59.236 58.200 -0.253 0.000 0.991 1128 S CB -0.305 62.679 63.200 -0.360 0.000 0.823 1128 S HN 0.362 nan 8.310 nan 0.000 0.469 1129 L N 1.153 122.292 121.223 -0.140 0.000 2.093 1129 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 1129 L C 2.553 179.391 176.870 -0.052 0.000 1.085 1129 L CA 1.097 55.892 54.840 -0.076 0.000 0.755 1129 L CB -0.570 41.460 42.059 -0.048 0.000 0.904 1129 L HN 0.348 nan 8.230 nan 0.000 0.435 1130 Q N -0.088 119.672 119.800 -0.066 0.000 2.369 1130 Q HA -0.144 4.195 4.340 -0.000 0.000 0.206 1130 Q C 1.627 177.598 176.000 -0.049 0.000 0.963 1130 Q CA 0.845 56.612 55.803 -0.060 0.000 0.894 1130 Q CB 0.067 28.750 28.738 -0.092 0.000 0.965 1130 Q HN 0.570 nan 8.270 nan 0.000 0.475 1131 E N 0.045 120.216 120.200 -0.048 0.000 2.435 1131 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 1131 E C 0.931 177.521 176.600 -0.017 0.000 1.029 1131 E CA 0.479 56.863 56.400 -0.026 0.000 0.865 1131 E CB 0.359 30.044 29.700 -0.026 0.000 0.833 1131 E HN 0.230 nan 8.360 nan 0.000 0.510 1132 A N 0.825 123.633 122.820 -0.021 0.000 2.538 1132 A HA 0.112 4.432 4.320 -0.000 0.000 0.269 1132 A C 1.619 179.204 177.584 0.002 0.000 1.231 1132 A CA -0.306 51.729 52.037 -0.003 0.000 0.948 1132 A CB 0.103 19.102 19.000 -0.001 0.000 1.110 1132 A HN -0.025 nan 8.150 nan 0.000 0.529 1133 K N 0.552 120.949 120.400 -0.006 0.000 2.057 1133 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 1133 K C 0.607 177.209 176.600 0.003 0.000 1.050 1133 K CA 1.769 58.055 56.287 -0.002 0.000 0.935 1133 K CB -0.060 32.433 32.500 -0.011 0.000 0.715 1133 K HN 0.293 nan 8.250 nan 0.000 0.439 1134 D N 0.488 120.889 120.400 0.002 0.000 2.310 1134 D HA -0.088 4.552 4.640 -0.000 0.000 0.212 1134 D C 1.716 178.022 176.300 0.010 0.000 0.965 1134 D CA 0.898 54.901 54.000 0.005 0.000 0.879 1134 D CB 0.116 40.919 40.800 0.004 0.000 0.921 1134 D HN 0.362 nan 8.370 nan 0.000 0.510 1135 I N -0.521 120.058 120.570 0.014 0.000 2.685 1135 I HA -0.078 4.092 4.170 -0.000 0.000 0.251 1135 I C 1.268 177.400 176.117 0.025 0.000 1.102 1135 I CA 0.399 61.711 61.300 0.020 0.000 1.442 1135 I CB 0.186 38.203 38.000 0.027 0.000 1.194 1135 I HN -0.090 nan 8.210 nan 0.000 0.448 1136 c N 1.504 120.120 118.600 0.027 0.000 2.377 1136 c HA 0.066 4.635 4.570 -0.000 0.000 0.341 1136 c C 2.139 176.244 174.090 0.025 0.000 1.304 1136 c CA -0.160 56.188 56.329 0.031 0.000 1.690 1136 c CB -1.973 40.559 42.510 0.038 0.000 1.808 1136 c HN 0.461 nan 8.230 nan 0.000 0.592 1137 E N 1.174 121.385 120.200 0.019 0.000 2.371 1137 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 1137 E C 2.043 178.652 176.600 0.015 0.000 1.012 1137 E CA 0.798 57.207 56.400 0.015 0.000 0.860 1137 E CB 0.260 29.966 29.700 0.010 0.000 0.811 1137 E HN 0.627 nan 8.360 nan 0.000 0.502 1138 E N 0.356 120.566 120.200 0.018 0.000 2.075 1138 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 1138 E C 1.802 178.415 176.600 0.020 0.000 0.969 1138 E CA 1.221 57.631 56.400 0.017 0.000 0.815 1138 E CB 0.132 29.842 29.700 0.017 0.000 0.776 1138 E HN 0.242 nan 8.360 nan 0.000 0.457 1139 Q N -0.238 119.578 119.800 0.025 0.000 1.990 1139 Q HA 0.115 4.455 4.340 -0.000 0.000 0.195 1139 Q C 0.204 176.222 176.000 0.030 0.000 0.977 1139 Q CA 0.811 56.631 55.803 0.029 0.000 0.828 1139 Q CB 0.059 28.818 28.738 0.036 0.000 0.896 1139 Q HN 0.062 nan 8.270 nan 0.000 0.447 1140 V N 4.077 124.011 119.914 0.034 0.000 2.425 1140 V HA -0.080 4.040 4.120 -0.000 0.000 0.276 1140 V C 0.765 176.876 176.094 0.027 0.000 1.017 1140 V CA 0.284 62.605 62.300 0.035 0.000 1.062 1140 V CB 0.200 32.049 31.823 0.042 0.000 0.997 1140 V HN 0.488 nan 8.190 nan 0.000 0.476 1141 N N 3.269 121.983 118.700 0.023 0.000 2.392 1141 N HA -0.080 4.660 4.740 -0.000 0.000 0.177 1141 N C 1.379 176.898 175.510 0.015 0.000 1.066 1141 N CA 0.853 53.913 53.050 0.017 0.000 0.895 1141 N CB 0.006 38.502 38.487 0.014 0.000 0.988 1141 N HN 0.623 nan 8.380 nan 0.000 0.457 1142 S N -0.535 115.176 115.700 0.018 0.000 2.597 1142 S HA 0.187 4.657 4.470 -0.000 0.000 0.224 1142 S C 1.414 176.027 174.600 0.021 0.000 0.955 1142 S CA -0.564 57.645 58.200 0.015 0.000 0.933 1142 S CB -0.283 62.924 63.200 0.011 0.000 0.788 1142 S HN 0.152 nan 8.310 nan 0.000 0.488 1143 L N 2.632 123.871 121.223 0.025 0.000 2.005 1143 L HA 0.219 4.559 4.340 -0.000 0.000 0.207 1143 L C -1.171 175.714 176.870 0.025 0.000 1.072 1143 L CA 1.601 56.459 54.840 0.031 0.000 0.744 1143 L CB -1.345 40.731 42.059 0.028 0.000 0.895 1143 L HN 0.114 nan 8.230 nan 0.000 0.433 1144 P HA -0.107 nan 4.420 nan 0.000 0.216 1144 P C 1.609 178.914 177.300 0.009 0.000 1.150 1144 P CA 1.818 64.923 63.100 0.009 0.000 0.837 1144 P CB -0.395 31.308 31.700 0.004 0.000 0.786 1145 G N -0.792 108.013 108.800 0.008 0.000 2.418 1145 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.217 1145 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.217 1145 G C 1.873 176.776 174.900 0.005 0.000 1.158 1145 G CA 1.062 46.164 45.100 0.003 0.000 0.771 1145 G HN 0.314 nan 8.290 nan 0.000 0.545 1146 S N 0.185 115.895 115.700 0.016 0.000 2.368 1146 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 1146 S C 2.424 177.060 174.600 0.059 0.000 1.029 1146 S CA 0.965 59.183 58.200 0.030 0.000 0.988 1146 S CB -0.292 62.950 63.200 0.068 0.000 0.838 1146 S HN 0.364 nan 8.310 nan 0.000 0.462 1147 I N 1.112 121.715 120.570 0.056 0.000 2.264 1147 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 1147 I C 2.487 178.627 176.117 0.038 0.000 1.111 1147 I CA 1.499 62.831 61.300 0.052 0.000 1.382 1147 I CB -0.811 37.202 38.000 0.022 0.000 1.060 1147 I HN 0.345 nan 8.210 nan 0.000 0.418 1148 T N 0.526 115.093 114.554 0.022 0.000 2.812 1148 T HA -0.097 4.252 4.350 -0.000 0.000 0.264 1148 T C 1.956 176.671 174.700 0.024 0.000 1.042 1148 T CA 0.841 62.949 62.100 0.014 0.000 1.140 1148 T CB -0.038 68.832 68.868 0.004 0.000 0.870 1148 T HN 0.163 nan 8.240 nan 0.000 0.445 1149 K N 1.837 122.247 120.400 0.016 0.000 2.009 1149 K HA 0.022 4.342 4.320 -0.000 0.000 0.210 1149 K C 2.622 179.249 176.600 0.045 0.000 1.049 1149 K CA 1.545 57.836 56.287 0.006 0.000 0.929 1149 K CB -0.998 31.475 32.500 -0.046 0.000 0.714 1149 K HN 0.370 nan 8.250 nan 0.000 0.440 1150 A N 1.000 123.858 122.820 0.063 0.000 1.933 1150 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 1150 A C 2.495 180.196 177.584 0.195 0.000 1.175 1150 A CA 2.131 54.258 52.037 0.151 0.000 0.628 1150 A CB -1.065 18.085 19.000 0.250 0.000 0.814 1150 A HN 0.415 nan 8.150 nan 0.000 0.444 1151 G N -0.027 108.840 108.800 0.111 0.000 2.421 1151 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 1151 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 1151 G C 1.074 176.012 174.900 0.064 0.000 1.171 1151 G CA 1.185 46.324 45.100 0.065 0.000 0.775 1151 G HN 0.467 nan 8.290 nan 0.000 0.543 1152 D N -0.039 120.404 120.400 0.072 0.000 2.182 1152 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 1152 D C 1.885 178.244 176.300 0.098 0.000 0.986 1152 D CA 0.545 54.583 54.000 0.062 0.000 0.847 1152 D CB -0.333 40.500 40.800 0.056 0.000 0.942 1152 D HN 0.346 nan 8.370 nan 0.000 0.467 1153 F N 1.187 121.143 119.950 0.009 0.000 2.084 1153 F HA -0.059 4.468 4.527 -0.000 0.000 0.296 1153 F C 2.032 177.861 175.800 0.047 0.000 1.111 1153 F CA 1.095 59.109 58.000 0.022 0.000 1.224 1153 F CB -0.367 38.644 39.000 0.019 0.000 0.991 1153 F HN -0.138 nan 8.300 nan 0.000 0.471 1154 L N 0.241 121.443 121.223 -0.035 0.000 2.083 1154 L HA -0.206 4.133 4.340 -0.000 0.000 0.209 1154 L C 2.464 179.285 176.870 -0.082 0.000 1.083 1154 L CA 1.930 56.706 54.840 -0.107 0.000 0.752 1154 L CB -0.906 41.208 42.059 0.092 0.000 0.899 1154 L HN 0.298 nan 8.230 nan 0.000 0.433 1155 E N 0.435 120.598 120.200 -0.061 0.000 2.274 1155 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 1155 E C 1.984 178.560 176.600 -0.040 0.000 0.996 1155 E CA 0.828 57.196 56.400 -0.053 0.000 0.840 1155 E CB 0.136 29.800 29.700 -0.060 0.000 0.772 1155 E HN 0.462 nan 8.360 nan 0.000 0.491 1156 A N 0.422 123.188 122.820 -0.090 0.000 2.218 1156 A HA 0.051 4.371 4.320 -0.000 0.000 0.209 1156 A C 1.113 178.632 177.584 -0.109 0.000 1.168 1156 A CA 0.268 52.255 52.037 -0.083 0.000 0.804 1156 A CB 0.217 19.173 19.000 -0.073 0.000 0.834 1156 A HN 0.178 nan 8.150 nan 0.000 0.482 1157 N N -2.472 116.132 118.700 -0.160 0.000 2.118 1157 N HA 0.076 4.816 4.740 -0.000 0.000 0.226 1157 N C 0.611 176.086 175.510 -0.059 0.000 1.305 1157 N CA -0.124 52.835 53.050 -0.152 0.000 0.890 1157 N CB -0.134 38.167 38.487 -0.311 0.000 1.118 1157 N HN 0.484 nan 8.380 nan 0.000 0.511 1158 Y N 1.422 121.654 120.300 -0.113 0.000 2.421 1158 Y HA 0.069 4.618 4.550 -0.000 0.000 0.292 1158 Y C 1.644 177.534 175.900 -0.017 0.000 1.136 1158 Y CA 1.229 59.298 58.100 -0.052 0.000 1.255 1158 Y CB 0.256 38.691 38.460 -0.041 0.000 0.991 1158 Y HN -0.099 nan 8.280 nan 0.000 0.552 1159 M N -0.077 119.563 119.600 0.067 0.000 2.561 1159 M HA 0.024 4.504 4.480 -0.000 0.000 0.238 1159 M C 0.197 176.478 176.300 -0.032 0.000 1.131 1159 M CA 0.648 55.963 55.300 0.026 0.000 1.046 1159 M CB -0.484 32.146 32.600 0.050 0.000 1.532 1159 M HN 0.282 nan 8.290 nan 0.000 0.497 1160 N N 0.043 118.707 118.700 -0.060 0.000 2.171 1160 N HA 0.264 5.004 4.740 -0.000 0.000 0.212 1160 N C 0.207 175.675 175.510 -0.069 0.000 1.184 1160 N CA 0.026 53.044 53.050 -0.054 0.000 0.888 1160 N CB 0.954 39.417 38.487 -0.040 0.000 1.038 1160 N HN 0.290 nan 8.380 nan 0.000 0.517 1161 L N 0.766 121.916 121.223 -0.120 0.000 2.467 1161 L HA 0.086 4.426 4.340 -0.000 0.000 0.270 1161 L C 1.391 178.216 176.870 -0.075 0.000 1.205 1161 L CA 0.202 54.974 54.840 -0.113 0.000 0.828 1161 L CB 0.648 42.581 42.059 -0.209 0.000 1.101 1161 L HN -0.014 nan 8.230 nan 0.000 0.479 1162 Q N 0.905 120.683 119.800 -0.037 0.000 2.534 1162 Q HA 0.207 4.547 4.340 -0.000 0.000 0.252 1162 Q C 0.197 176.199 176.000 0.002 0.000 0.850 1162 Q CA 0.390 56.181 55.803 -0.020 0.000 0.974 1162 Q CB 0.526 29.258 28.738 -0.011 0.000 1.205 1162 Q HN 0.534 nan 8.270 nan 0.000 0.593 1163 R N 0.944 121.462 120.500 0.029 0.000 2.438 1163 R HA 0.252 4.592 4.340 -0.000 0.000 0.287 1163 R C 1.155 177.519 176.300 0.107 0.000 1.077 1163 R CA -0.002 56.142 56.100 0.074 0.000 1.034 1163 R CB 0.712 31.079 30.300 0.112 0.000 0.993 1163 R HN 0.017 nan 8.270 nan 0.000 0.459 1164 S N 1.763 117.544 115.700 0.135 0.000 2.419 1164 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 1164 S C 1.452 176.206 174.600 0.256 0.000 1.016 1164 S CA 1.001 59.321 58.200 0.199 0.000 0.974 1164 S CB -0.234 63.078 63.200 0.186 0.000 0.786 1164 S HN 0.648 nan 8.310 nan 0.000 0.492 1165 Y N 2.692 123.072 120.300 0.133 0.000 2.133 1165 Y HA -0.196 4.353 4.550 -0.000 0.000 0.287 1165 Y C 2.569 178.516 175.900 0.078 0.000 1.134 1165 Y CA 1.947 60.121 58.100 0.124 0.000 1.133 1165 Y CB -0.933 37.612 38.460 0.143 0.000 0.987 1165 Y HN 0.157 nan 8.280 nan 0.000 0.502 1166 T N -0.156 114.524 114.554 0.210 0.000 2.759 1166 T HA -0.184 4.165 4.350 -0.000 0.000 0.269 1166 T C 2.007 176.716 174.700 0.015 0.000 1.042 1166 T CA 1.608 63.766 62.100 0.096 0.000 1.140 1166 T CB -0.720 68.228 68.868 0.133 0.000 0.864 1166 T HN 0.231 nan 8.240 nan 0.000 0.455 1167 V N 1.468 121.396 119.914 0.023 0.000 2.407 1167 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 1167 V C 2.799 179.046 176.094 0.254 0.000 1.055 1167 V CA 1.638 63.957 62.300 0.032 0.000 1.049 1167 V CB -1.099 30.755 31.823 0.051 0.000 0.662 1167 V HN 0.542 nan 8.190 nan 0.000 0.455 1168 A N -0.318 122.549 122.820 0.077 0.000 1.874 1168 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 1168 A C 2.231 179.820 177.584 0.008 0.000 1.189 1168 A CA 1.622 53.670 52.037 0.019 0.000 0.615 1168 A CB -0.442 18.395 19.000 -0.272 0.000 0.830 1168 A HN 0.469 nan 8.150 nan 0.000 0.443 1169 I N -0.702 119.712 120.570 -0.259 0.000 2.394 1169 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 1169 I C 2.409 178.503 176.117 -0.039 0.000 1.136 1169 I CA 1.277 62.338 61.300 -0.398 0.000 1.425 1169 I CB -0.049 37.501 38.000 -0.752 0.000 1.079 1169 I HN 0.307 nan 8.210 nan 0.000 0.425 1170 A N 0.220 123.086 122.820 0.075 0.000 2.021 1170 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 1170 A C 2.275 179.953 177.584 0.157 0.000 1.163 1170 A CA 1.028 53.175 52.037 0.182 0.000 0.676 1170 A CB -1.097 18.081 19.000 0.296 0.000 0.818 1170 A HN 0.484 nan 8.150 nan 0.000 0.453 1171 G N -1.478 107.456 108.800 0.225 0.000 2.408 1171 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 1171 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 1171 G C 1.505 176.246 174.900 -0.265 0.000 1.150 1171 G CA 1.231 46.250 45.100 -0.136 0.000 0.776 1171 G HN 0.557 nan 8.290 nan 0.000 0.542 1172 Y N 2.024 122.210 120.300 -0.191 0.000 2.373 1172 Y HA 0.206 4.756 4.550 -0.000 0.000 0.293 1172 Y C 2.724 178.567 175.900 -0.095 0.000 1.129 1172 Y CA 0.696 58.714 58.100 -0.137 0.000 1.226 1172 Y CB -0.229 38.246 38.460 0.026 0.000 1.000 1172 Y HN 0.231 nan 8.280 nan 0.000 0.549 1173 A N 0.037 122.770 122.820 -0.144 0.000 1.929 1173 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 1173 A C 2.142 179.594 177.584 -0.219 0.000 1.176 1173 A CA 1.605 53.526 52.037 -0.193 0.000 0.628 1173 A CB -0.881 18.099 19.000 -0.035 0.000 0.816 1173 A HN 0.509 nan 8.150 nan 0.000 0.444 1174 L N -1.174 119.913 121.223 -0.226 0.000 2.341 1174 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 1174 L C 2.887 179.594 176.870 -0.271 0.000 1.115 1174 L CA 0.630 55.322 54.840 -0.246 0.000 0.820 1174 L CB -0.382 41.480 42.059 -0.328 0.000 0.944 1174 L HN 0.401 nan 8.230 nan 0.000 0.452 1175 A N -0.113 122.517 122.820 -0.316 0.000 1.930 1175 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 1175 A C 2.182 179.614 177.584 -0.253 0.000 1.175 1175 A CA 1.154 53.019 52.037 -0.286 0.000 0.627 1175 A CB -0.320 18.517 19.000 -0.273 0.000 0.815 1175 A HN 0.438 nan 8.150 nan 0.000 0.443 1176 Q N -1.035 118.567 119.800 -0.331 0.000 2.364 1176 Q HA -0.001 4.339 4.340 -0.000 0.000 0.207 1176 Q C 1.630 177.524 176.000 -0.177 0.000 0.970 1176 Q CA 1.254 56.891 55.803 -0.277 0.000 0.888 1176 Q CB -0.188 28.333 28.738 -0.362 0.000 0.951 1176 Q HN 0.736 nan 8.270 nan 0.000 0.469 1177 M N -1.672 117.827 119.600 -0.168 0.000 2.382 1177 M HA 0.194 4.674 4.480 -0.000 0.000 0.247 1177 M C 0.964 177.199 176.300 -0.109 0.000 1.104 1177 M CA 0.488 55.717 55.300 -0.119 0.000 1.030 1177 M CB 0.848 33.384 32.600 -0.106 0.000 1.424 1177 M HN 0.281 nan 8.290 nan 0.000 0.486 1178 G N 1.969 110.691 108.800 -0.130 0.000 2.168 1178 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 1178 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 1178 G C 0.596 175.427 174.900 -0.116 0.000 0.997 1178 G CA 0.277 45.308 45.100 -0.115 0.000 0.708 1178 G HN 0.533 nan 8.290 nan 0.000 0.520 1179 R N -1.019 119.399 120.500 -0.137 0.000 2.480 1179 R HA 0.339 4.679 4.340 -0.000 0.000 0.277 1179 R C 0.488 176.681 176.300 -0.179 0.000 1.008 1179 R CA -0.305 55.716 56.100 -0.132 0.000 1.090 1179 R CB 0.330 30.561 30.300 -0.115 0.000 1.234 1179 R HN 0.277 nan 8.270 nan 0.000 0.549 1180 L N 1.602 122.700 121.223 -0.208 0.000 2.494 1180 L HA 0.308 4.648 4.340 -0.000 0.000 0.251 1180 L C -0.764 176.002 176.870 -0.173 0.000 1.119 1180 L CA 0.060 54.741 54.840 -0.264 0.000 1.026 1180 L CB -0.083 41.760 42.059 -0.361 0.000 1.370 1180 L HN -0.081 nan 8.230 nan 0.000 0.426 1181 K N 1.141 121.466 120.400 -0.125 0.000 2.409 1181 K HA 0.867 5.187 4.320 -0.000 0.000 0.252 1181 K C 0.499 177.072 176.600 -0.045 0.000 1.036 1181 K CA -0.643 55.600 56.287 -0.074 0.000 0.871 1181 K CB 1.345 33.809 32.500 -0.061 0.000 1.374 1181 K HN 0.381 nan 8.250 nan 0.000 0.459 1182 G N 0.925 109.710 108.800 -0.024 0.000 2.611 1182 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.301 1182 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.301 1182 G C -1.756 173.151 174.900 0.011 0.000 1.233 1182 G CA 0.262 45.357 45.100 -0.007 0.000 0.993 1182 G HN 0.509 nan 8.290 nan 0.000 0.553 1183 P HA -0.008 nan 4.420 nan 0.000 0.216 1183 P C 2.298 179.652 177.300 0.090 0.000 1.150 1183 P CA 1.623 64.751 63.100 0.045 0.000 0.837 1183 P CB -0.122 31.602 31.700 0.040 0.000 0.786 1184 L N -1.468 119.804 121.223 0.082 0.000 2.017 1184 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 1184 L C 2.374 179.334 176.870 0.149 0.000 1.073 1184 L CA 1.591 56.515 54.840 0.140 0.000 0.745 1184 L CB -1.802 40.209 42.059 -0.079 0.000 0.894 1184 L HN -0.041 nan 8.230 nan 0.000 0.432 1185 L N -0.239 121.009 121.223 0.042 0.000 2.083 1185 L HA -0.178 4.161 4.340 -0.000 0.000 0.209 1185 L C 2.268 179.222 176.870 0.140 0.000 1.083 1185 L CA 1.561 56.440 54.840 0.064 0.000 0.752 1185 L CB -0.896 41.158 42.059 -0.008 0.000 0.899 1185 L HN 0.357 nan 8.230 nan 0.000 0.433 1186 N N 0.131 118.889 118.700 0.096 0.000 2.142 1186 N HA -0.248 4.492 4.740 -0.000 0.000 0.186 1186 N C 1.938 177.505 175.510 0.094 0.000 1.023 1186 N CA 1.723 54.813 53.050 0.067 0.000 0.852 1186 N CB -0.152 38.358 38.487 0.038 0.000 0.998 1186 N HN 0.473 nan 8.380 nan 0.000 0.424 1187 K N -0.909 119.586 120.400 0.159 0.000 2.057 1187 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 1187 K C 2.035 178.768 176.600 0.222 0.000 1.050 1187 K CA 0.933 57.314 56.287 0.156 0.000 0.935 1187 K CB -0.407 32.193 32.500 0.166 0.000 0.715 1187 K HN 0.196 nan 8.250 nan 0.000 0.439 1188 F N 1.665 121.757 119.950 0.236 0.000 2.161 1188 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 1188 F C 1.520 177.505 175.800 0.309 0.000 1.089 1188 F CA 1.383 59.575 58.000 0.321 0.000 1.282 1188 F CB -0.003 39.174 39.000 0.296 0.000 1.010 1188 F HN -0.024 nan 8.300 nan 0.000 0.485 1189 L N -0.434 120.823 121.223 0.056 0.000 2.127 1189 L HA -0.109 4.231 4.340 -0.000 0.000 0.203 1189 L C 2.572 179.275 176.870 -0.278 0.000 1.080 1189 L CA 1.490 56.180 54.840 -0.249 0.000 0.768 1189 L CB -1.254 40.615 42.059 -0.317 0.000 0.924 1189 L HN 0.249 nan 8.230 nan 0.000 0.444 1190 T N -4.573 109.892 114.554 -0.148 0.000 2.951 1190 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 1190 T C 1.791 176.378 174.700 -0.190 0.000 1.073 1190 T CA 1.421 63.437 62.100 -0.141 0.000 1.134 1190 T CB -0.585 68.239 68.868 -0.074 0.000 0.884 1190 T HN 0.142 nan 8.240 nan 0.000 0.479 1191 T N 2.510 116.955 114.554 -0.182 0.000 2.720 1191 T HA 0.148 4.498 4.350 -0.000 0.000 0.268 1191 T C 1.184 175.604 174.700 -0.468 0.000 1.037 1191 T CA 0.992 62.968 62.100 -0.207 0.000 1.144 1191 T CB -0.771 68.078 68.868 -0.033 0.000 0.864 1191 T HN 0.741 nan 8.240 nan 0.000 0.444 1192 A N 2.252 124.537 122.820 -0.892 0.000 2.522 1192 A HA 0.252 4.572 4.320 -0.000 0.000 0.256 1192 A C 0.387 177.588 177.584 -0.639 0.000 1.086 1192 A CA -0.095 51.182 52.037 -1.267 0.000 0.763 1192 A CB -0.137 17.694 19.000 -1.949 0.000 1.024 1192 A HN 0.392 nan 8.150 nan 0.000 0.502 1193 K N 2.438 122.526 120.400 -0.521 0.000 2.298 1193 K HA 0.191 4.511 4.320 -0.000 0.000 0.280 1193 K C -0.464 175.937 176.600 -0.331 0.000 1.032 1193 K CA 0.019 56.105 56.287 -0.336 0.000 0.958 1193 K CB 0.239 32.584 32.500 -0.258 0.000 0.978 1193 K HN 0.738 nan 8.250 nan 0.000 0.472 1194 D N 2.933 123.196 120.400 -0.227 0.000 3.077 1194 D HA -0.196 4.443 4.640 -0.000 0.000 0.217 1194 D C -0.849 175.318 176.300 -0.223 0.000 1.162 1194 D CA 1.329 55.215 54.000 -0.190 0.000 0.943 1194 D CB -0.876 39.817 40.800 -0.179 0.000 1.122 1194 D HN 0.863 nan 8.370 nan 0.000 0.413 1195 K N -1.074 119.178 120.400 -0.247 0.000 3.257 1195 K HA -0.267 4.052 4.320 -0.000 0.000 0.270 1195 K C 0.429 176.726 176.600 -0.505 0.000 0.984 1195 K CA 1.145 57.303 56.287 -0.216 0.000 0.739 1195 K CB -1.455 31.023 32.500 -0.036 0.000 1.351 1195 K HN 0.587 nan 8.250 nan 0.000 0.463 1196 N N -0.872 117.507 118.700 -0.536 0.000 1.872 1196 N HA -0.024 4.715 4.740 -0.000 0.000 0.223 1196 N C -0.536 174.618 175.510 -0.593 0.000 1.424 1196 N CA -0.158 52.611 53.050 -0.470 0.000 0.710 1196 N CB 0.357 38.654 38.487 -0.318 0.000 1.074 1196 N HN 0.476 nan 8.380 nan 0.000 0.544 1197 R N -1.058 118.961 120.500 -0.803 0.000 2.604 1197 R HA 0.307 4.647 4.340 -0.000 0.000 0.261 1197 R C -1.733 174.200 176.300 -0.612 0.000 1.080 1197 R CA -0.761 54.822 56.100 -0.863 0.000 0.917 1197 R CB 0.465 29.703 30.300 -1.770 0.000 1.252 1197 R HN -0.010 nan 8.270 nan 0.000 0.456 1198 W N 3.941 125.036 121.300 -0.342 0.000 1.928 1198 W HA 0.185 4.844 4.660 -0.000 0.000 0.341 1198 W C -0.254 176.205 176.519 -0.101 0.000 0.789 1198 W CA -0.333 56.904 57.345 -0.180 0.000 1.680 1198 W CB 0.843 30.240 29.460 -0.105 0.000 1.882 1198 W HN 0.685 nan 8.180 nan 0.000 0.315 1199 E N 0.592 120.780 120.200 -0.021 0.000 2.283 1199 E HA 0.363 4.713 4.350 -0.000 0.000 0.271 1199 E C -0.719 175.917 176.600 0.060 0.000 1.031 1199 E CA -0.531 55.893 56.400 0.041 0.000 0.868 1199 E CB 1.611 31.301 29.700 -0.016 0.000 1.094 1199 E HN -0.062 nan 8.360 nan 0.000 0.401 1200 D N 2.303 122.757 120.400 0.091 0.000 2.646 1200 D HA 0.266 4.906 4.640 -0.000 0.000 0.245 1200 D C -2.495 173.815 176.300 0.017 0.000 1.099 1200 D CA -1.959 52.072 54.000 0.052 0.000 0.849 1200 D CB 1.807 42.650 40.800 0.072 0.000 1.448 1200 D HN 0.268 nan 8.370 nan 0.000 0.489 1201 P HA 0.312 nan 4.420 nan 0.000 0.254 1201 P C -0.153 177.117 177.300 -0.051 0.000 1.186 1201 P CA 0.455 63.542 63.100 -0.022 0.000 0.868 1201 P CB 0.070 31.753 31.700 -0.029 0.000 0.856 1202 G N 1.872 110.649 108.800 -0.038 0.000 2.801 1202 G HA2 0.232 4.192 3.960 -0.000 0.000 0.648 1202 G HA3 0.232 4.192 3.960 -0.000 0.000 0.648 1202 G C -1.303 173.562 174.900 -0.057 0.000 1.415 1202 G CA -1.081 43.976 45.100 -0.072 0.000 0.887 1202 G HN 0.380 nan 8.290 nan 0.000 0.627 1203 K N -0.268 120.129 120.400 -0.005 0.000 0.847 1203 K HA -0.177 4.143 4.320 -0.000 0.000 0.800 1203 K C 1.093 177.772 176.600 0.132 0.000 2.306 1203 K CA 1.423 57.762 56.287 0.087 0.000 1.514 1203 K CB -0.898 31.698 32.500 0.160 0.000 2.737 1203 K HN 0.904 nan 8.250 nan 0.000 0.219 1204 Q N -0.370 119.520 119.800 0.150 0.000 2.477 1204 Q HA 0.100 4.440 4.340 -0.000 0.000 0.252 1204 Q C 1.826 177.860 176.000 0.058 0.000 0.869 1204 Q CA 0.307 56.164 55.803 0.089 0.000 0.969 1204 Q CB 0.100 28.857 28.738 0.031 0.000 1.144 1204 Q HN 0.418 nan 8.270 nan 0.000 0.577 1205 L N 0.407 121.674 121.223 0.073 0.000 2.081 1205 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 1205 L C 1.560 178.400 176.870 -0.049 0.000 1.080 1205 L CA 1.943 56.751 54.840 -0.053 0.000 0.754 1205 L CB -0.393 41.588 42.059 -0.130 0.000 0.893 1205 L HN 0.162 nan 8.230 nan 0.000 0.433 1206 Y N -0.690 119.615 120.300 0.009 0.000 2.516 1206 Y HA -0.030 4.519 4.550 -0.000 0.000 0.291 1206 Y C 2.277 178.282 175.900 0.174 0.000 1.131 1206 Y CA 0.766 58.876 58.100 0.015 0.000 1.281 1206 Y CB -0.608 37.794 38.460 -0.096 0.000 1.013 1206 Y HN 0.335 nan 8.280 nan 0.000 0.554 1207 N N -0.460 118.415 118.700 0.292 0.000 2.245 1207 N HA -0.090 4.649 4.740 -0.000 0.000 0.185 1207 N C 2.039 177.744 175.510 0.325 0.000 1.036 1207 N CA 1.248 54.482 53.050 0.305 0.000 0.857 1207 N CB -0.855 37.809 38.487 0.295 0.000 1.015 1207 N HN 0.088 nan 8.380 nan 0.000 0.436 1208 V N 1.885 121.912 119.914 0.189 0.000 2.332 1208 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 1208 V C 2.352 178.528 176.094 0.136 0.000 1.055 1208 V CA 1.739 64.098 62.300 0.099 0.000 1.038 1208 V CB -0.533 31.121 31.823 -0.280 0.000 0.651 1208 V HN 0.406 nan 8.190 nan 0.000 0.450 1209 E N 0.262 120.562 120.200 0.166 0.000 2.051 1209 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 1209 E C 2.261 179.087 176.600 0.378 0.000 0.991 1209 E CA 1.376 57.945 56.400 0.281 0.000 0.799 1209 E CB -0.236 29.692 29.700 0.380 0.000 0.748 1209 E HN 0.556 nan 8.360 nan 0.000 0.449 1210 A N 0.362 123.420 122.820 0.397 0.000 1.865 1210 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 1210 A C 2.418 180.080 177.584 0.130 0.000 1.191 1210 A CA 2.190 54.370 52.037 0.239 0.000 0.623 1210 A CB -1.116 18.103 19.000 0.365 0.000 0.826 1210 A HN 0.364 nan 8.150 nan 0.000 0.444 1211 T N 0.182 114.865 114.554 0.214 0.000 2.833 1211 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 1211 T C 2.199 176.923 174.700 0.041 0.000 1.054 1211 T CA 1.567 63.781 62.100 0.190 0.000 1.135 1211 T CB -0.296 68.810 68.868 0.396 0.000 0.869 1211 T HN 0.488 nan 8.240 nan 0.000 0.466 1212 S N 0.475 116.203 115.700 0.047 0.000 2.356 1212 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 1212 S C 1.745 176.211 174.600 -0.224 0.000 1.032 1212 S CA 1.020 59.166 58.200 -0.090 0.000 1.005 1212 S CB -0.516 62.609 63.200 -0.126 0.000 0.867 1212 S HN 0.545 nan 8.310 nan 0.000 0.449 1213 Y N 1.742 121.918 120.300 -0.206 0.000 2.207 1213 Y HA -0.143 4.406 4.550 -0.000 0.000 0.287 1213 Y C 2.629 178.350 175.900 -0.299 0.000 1.156 1213 Y CA 0.874 58.793 58.100 -0.302 0.000 1.182 1213 Y CB -0.591 37.749 38.460 -0.199 0.000 0.979 1213 Y HN 0.283 nan 8.280 nan 0.000 0.521 1214 A N -0.511 122.183 122.820 -0.211 0.000 1.930 1214 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 1214 A C 2.121 179.617 177.584 -0.148 0.000 1.175 1214 A CA 1.420 53.240 52.037 -0.360 0.000 0.627 1214 A CB -0.929 17.008 19.000 -1.771 0.000 0.815 1214 A HN 0.415 nan 8.150 nan 0.000 0.443 1215 L N -0.100 121.034 121.223 -0.149 0.000 2.017 1215 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 1215 L C 2.182 179.037 176.870 -0.025 0.000 1.073 1215 L CA 1.674 56.502 54.840 -0.020 0.000 0.745 1215 L CB -0.613 41.433 42.059 -0.022 0.000 0.894 1215 L HN 0.385 nan 8.230 nan 0.000 0.432 1216 L N -0.620 120.494 121.223 -0.181 0.000 2.191 1216 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 1216 L C 2.575 179.462 176.870 0.028 0.000 1.103 1216 L CA 0.978 55.672 54.840 -0.242 0.000 0.769 1216 L CB -0.823 40.719 42.059 -0.863 0.000 0.908 1216 L HN 0.408 nan 8.230 nan 0.000 0.438 1217 A N 0.067 122.933 122.820 0.077 0.000 1.897 1217 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1217 A C 2.214 179.817 177.584 0.031 0.000 1.181 1217 A CA 0.978 53.098 52.037 0.138 0.000 0.620 1217 A CB -0.476 18.461 19.000 -0.104 0.000 0.821 1217 A HN 0.325 nan 8.150 nan 0.000 0.443 1218 L N -0.471 120.814 121.223 0.103 0.000 2.046 1218 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 1218 L C 2.451 179.280 176.870 -0.069 0.000 1.077 1218 L CA 1.033 55.930 54.840 0.096 0.000 0.747 1218 L CB -0.585 41.618 42.059 0.240 0.000 0.896 1218 L HN 0.354 nan 8.230 nan 0.000 0.432 1219 L N -0.686 120.530 121.223 -0.011 0.000 2.201 1219 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 1219 L C 2.586 179.426 176.870 -0.049 0.000 1.105 1219 L CA 0.731 55.548 54.840 -0.038 0.000 0.775 1219 L CB -0.390 41.759 42.059 0.151 0.000 0.913 1219 L HN 0.287 nan 8.230 nan 0.000 0.440 1220 Q N 0.641 120.447 119.800 0.009 0.000 2.172 1220 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 1220 Q C 1.912 177.869 176.000 -0.072 0.000 0.964 1220 Q CA 1.348 57.154 55.803 0.005 0.000 0.855 1220 Q CB -0.019 28.745 28.738 0.044 0.000 0.918 1220 Q HN 0.495 nan 8.270 nan 0.000 0.444 1221 L N -0.021 121.132 121.223 -0.117 0.000 2.591 1221 L HA 0.154 4.494 4.340 -0.000 0.000 0.228 1221 L C 0.211 176.966 176.870 -0.191 0.000 1.133 1221 L CA 0.165 54.925 54.840 -0.134 0.000 0.880 1221 L CB -0.060 41.927 42.059 -0.121 0.000 1.033 1221 L HN 0.157 nan 8.230 nan 0.000 0.450 1222 K N -0.156 120.036 120.400 -0.346 0.000 3.088 1222 K HA -0.235 4.084 4.320 -0.000 0.000 0.273 1222 K C 0.045 176.232 176.600 -0.688 0.000 1.111 1222 K CA 0.875 56.781 56.287 -0.635 0.000 0.803 1222 K CB -1.267 31.170 32.500 -0.106 0.000 1.226 1222 K HN 0.200 nan 8.250 nan 0.000 0.485 1223 D N 0.411 120.502 120.400 -0.514 0.000 2.631 1223 D HA 0.120 4.760 4.640 -0.000 0.000 0.227 1223 D C 0.180 176.386 176.300 -0.157 0.000 1.146 1223 D CA -0.480 53.396 54.000 -0.207 0.000 1.009 1223 D CB -0.284 40.495 40.800 -0.036 0.000 1.057 1223 D HN 0.126 nan 8.370 nan 0.000 0.509 1224 F N 0.217 120.235 119.950 0.113 0.000 2.795 1224 F HA 0.109 4.636 4.527 -0.000 0.000 0.303 1224 F C 1.450 177.320 175.800 0.117 0.000 1.186 1224 F CA -0.050 58.019 58.000 0.115 0.000 1.415 1224 F CB 0.153 39.183 39.000 0.050 0.000 1.106 1224 F HN 0.121 nan 8.300 nan 0.000 0.558 1225 D N -1.176 119.370 120.400 0.244 0.000 2.346 1225 D HA -0.031 4.609 4.640 -0.000 0.000 0.206 1225 D C 1.434 177.877 176.300 0.238 0.000 1.001 1225 D CA 0.656 54.779 54.000 0.206 0.000 0.871 1225 D CB -0.053 40.849 40.800 0.170 0.000 0.943 1225 D HN 0.300 nan 8.370 nan 0.000 0.518 1226 F N 0.124 120.136 119.950 0.103 0.000 2.706 1226 F HA 0.130 4.657 4.527 -0.000 0.000 0.308 1226 F C 1.554 177.432 175.800 0.131 0.000 1.095 1226 F CA 0.092 58.153 58.000 0.101 0.000 1.244 1226 F CB 0.483 39.548 39.000 0.108 0.000 1.063 1226 F HN -0.282 nan 8.300 nan 0.000 0.582 1227 V N 1.903 121.944 119.914 0.212 0.000 2.323 1227 V HA -0.114 4.006 4.120 -0.000 0.000 0.244 1227 V C -0.427 175.711 176.094 0.072 0.000 1.041 1227 V CA 1.742 64.155 62.300 0.188 0.000 1.025 1227 V CB -1.654 30.364 31.823 0.326 0.000 0.656 1227 V HN 0.128 nan 8.190 nan 0.000 0.451 1228 P HA -0.136 nan 4.420 nan 0.000 0.216 1228 P C -1.380 175.897 177.300 -0.040 0.000 1.157 1228 P CA 2.068 65.196 63.100 0.046 0.000 0.880 1228 P CB -1.326 30.415 31.700 0.069 0.000 0.791 1229 P HA -0.105 nan 4.420 nan 0.000 0.217 1229 P C 1.601 178.840 177.300 -0.102 0.000 1.150 1229 P CA 1.077 64.084 63.100 -0.155 0.000 0.832 1229 P CB -0.425 31.073 31.700 -0.337 0.000 0.787 1230 V N -0.457 119.392 119.914 -0.109 0.000 2.255 1230 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 1230 V C 2.484 178.627 176.094 0.083 0.000 1.038 1230 V CA 1.670 63.996 62.300 0.044 0.000 1.008 1230 V CB -1.312 30.602 31.823 0.153 0.000 0.645 1230 V HN -0.071 nan 8.190 nan 0.000 0.449 1231 V N 0.321 120.199 119.914 -0.061 0.000 2.380 1231 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 1231 V C 2.577 178.611 176.094 -0.100 0.000 1.063 1231 V CA 2.520 64.700 62.300 -0.200 0.000 1.055 1231 V CB -0.891 30.565 31.823 -0.611 0.000 0.657 1231 V HN 0.513 nan 8.190 nan 0.000 0.455 1232 R N -1.325 119.151 120.500 -0.039 0.000 2.096 1232 R HA -0.240 4.099 4.340 -0.000 0.000 0.235 1232 R C 2.143 178.470 176.300 0.045 0.000 1.127 1232 R CA 2.080 58.180 56.100 -0.001 0.000 0.968 1232 R CB -0.352 29.956 30.300 0.014 0.000 0.861 1232 R HN 0.655 nan 8.270 nan 0.000 0.440 1233 W N 0.949 122.198 121.300 -0.085 0.000 2.388 1233 W HA -0.091 4.568 4.660 -0.000 0.000 0.294 1233 W C 1.398 177.875 176.519 -0.070 0.000 1.212 1233 W CA 1.146 58.450 57.345 -0.068 0.000 1.271 1233 W CB -0.134 29.291 29.460 -0.058 0.000 1.126 1233 W HN 0.032 nan 8.180 nan 0.000 0.535 1234 L N 0.642 121.835 121.223 -0.050 0.000 2.027 1234 L HA -0.237 4.102 4.340 -0.000 0.000 0.206 1234 L C 2.240 178.930 176.870 -0.299 0.000 1.074 1234 L CA 1.449 56.137 54.840 -0.253 0.000 0.745 1234 L CB -1.134 40.864 42.059 -0.101 0.000 0.898 1234 L HN -0.041 nan 8.230 nan 0.000 0.433 1235 N N 0.302 118.888 118.700 -0.191 0.000 2.223 1235 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 1235 N C 1.356 176.762 175.510 -0.173 0.000 1.016 1235 N CA 1.069 54.024 53.050 -0.158 0.000 0.863 1235 N CB -0.168 38.273 38.487 -0.077 0.000 0.983 1235 N HN 0.416 nan 8.380 nan 0.000 0.429 1236 E N 0.003 120.089 120.200 -0.189 0.000 2.463 1236 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 1236 E C 1.152 177.590 176.600 -0.270 0.000 1.083 1236 E CA -0.002 56.293 56.400 -0.175 0.000 0.872 1236 E CB 0.191 29.823 29.700 -0.113 0.000 0.966 1236 E HN 0.406 nan 8.360 nan 0.000 0.491 1237 Q N 0.447 120.020 119.800 -0.378 0.000 2.316 1237 Q HA 0.117 4.457 4.340 -0.000 0.000 0.235 1237 Q C -0.391 175.425 176.000 -0.307 0.000 0.863 1237 Q CA -0.140 55.411 55.803 -0.419 0.000 0.939 1237 Q CB 0.587 28.900 28.738 -0.709 0.000 1.108 1237 Q HN -0.026 nan 8.270 nan 0.000 0.522 1238 R N 0.725 121.026 120.500 -0.332 0.000 2.877 1238 R HA -0.244 4.096 4.340 -0.000 0.000 0.275 1238 R C -1.738 174.267 176.300 -0.492 0.000 0.924 1238 R CA 0.497 56.319 56.100 -0.464 0.000 0.715 1238 R CB -1.398 28.725 30.300 -0.295 0.000 1.761 1238 R HN 0.334 nan 8.270 nan 0.000 0.498 1239 Y N 2.643 122.553 120.300 -0.650 0.000 2.555 1239 Y HA 0.286 4.835 4.550 -0.000 0.000 0.326 1239 Y C -0.580 175.093 175.900 -0.378 0.000 0.984 1239 Y CA -1.070 56.769 58.100 -0.435 0.000 1.298 1239 Y CB 0.542 38.825 38.460 -0.295 0.000 1.094 1239 Y HN 0.309 nan 8.280 nan 0.000 0.500 1240 Y N 4.277 124.424 120.300 -0.254 0.000 2.496 1240 Y HA 0.360 4.910 4.550 -0.000 0.000 0.313 1240 Y C 1.500 177.405 175.900 0.008 0.000 1.184 1240 Y CA -0.009 58.109 58.100 0.030 0.000 1.275 1240 Y CB -0.332 38.246 38.460 0.197 0.000 1.103 1240 Y HN 0.842 nan 8.280 nan 0.000 0.513 1241 G N 0.153 108.588 108.800 -0.608 0.000 2.641 1241 G HA2 0.144 4.103 3.960 -0.000 0.000 0.254 1241 G HA3 0.144 4.103 3.960 -0.000 0.000 0.254 1241 G C 0.261 175.120 174.900 -0.068 0.000 1.315 1241 G CA -0.007 44.858 45.100 -0.391 0.000 0.907 1241 G HN 1.277 nan 8.290 nan 0.000 0.572 1242 G N -2.229 106.636 108.800 0.109 0.000 2.731 1242 G HA2 0.504 4.464 3.960 -0.000 0.000 0.686 1242 G HA3 0.504 4.464 3.960 -0.000 0.000 0.686 1242 G C 1.169 176.130 174.900 0.101 0.000 1.395 1242 G CA 0.616 45.806 45.100 0.151 0.000 0.870 1242 G HN 3.277 nan 8.290 nan 0.000 0.591 1243 G N -0.322 108.545 108.800 0.111 0.000 2.362 1243 G HA2 0.428 4.388 3.960 -0.000 0.000 0.517 1243 G HA3 0.428 4.388 3.960 -0.000 0.000 0.517 1243 G C -0.375 174.623 174.900 0.164 0.000 1.256 1243 G CA 0.121 45.299 45.100 0.131 0.000 1.027 1243 G HN 2.264 nan 8.290 nan 0.000 0.491 1244 Y N 1.709 122.050 120.300 0.069 0.000 2.336 1244 Y HA 0.444 4.994 4.550 -0.000 0.000 0.335 1244 Y C 1.283 177.223 175.900 0.066 0.000 1.046 1244 Y CA 1.060 59.196 58.100 0.060 0.000 1.198 1244 Y CB 0.939 39.431 38.460 0.052 0.000 1.182 1244 Y HN 2.418 nan 8.280 nan 0.000 0.502 1245 G N 3.587 112.047 108.800 -0.567 0.000 2.198 1245 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 1245 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 1245 G C 0.481 175.304 174.900 -0.130 0.000 1.025 1245 G CA 0.683 45.511 45.100 -0.453 0.000 0.769 1245 G HN 1.210 nan 8.290 nan 0.000 0.507 1246 S N -1.489 114.207 115.700 -0.008 0.000 2.583 1246 S HA 0.307 4.777 4.470 -0.000 0.000 0.239 1246 S C 1.700 176.395 174.600 0.158 0.000 0.966 1246 S CA 0.933 59.218 58.200 0.142 0.000 0.973 1246 S CB 0.417 63.757 63.200 0.233 0.000 0.794 1246 S HN 0.323 nan 8.310 nan 0.000 0.463 1247 T N 2.500 117.099 114.554 0.075 0.000 2.708 1247 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 1247 T C 1.939 176.791 174.700 0.253 0.000 1.037 1247 T CA 1.369 63.544 62.100 0.124 0.000 1.146 1247 T CB -0.187 68.684 68.868 0.005 0.000 0.865 1247 T HN 0.357 nan 8.240 nan 0.000 0.435 1248 Q N 0.573 120.507 119.800 0.224 0.000 2.062 1248 Q HA 0.148 4.488 4.340 -0.000 0.000 0.196 1248 Q C 2.806 179.008 176.000 0.336 0.000 0.967 1248 Q CA 1.375 57.385 55.803 0.344 0.000 0.832 1248 Q CB -0.770 28.147 28.738 0.298 0.000 0.899 1248 Q HN 0.533 nan 8.270 nan 0.000 0.442 1249 A N 0.703 123.670 122.820 0.245 0.000 1.883 1249 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 1249 A C 2.376 180.168 177.584 0.348 0.000 1.186 1249 A CA 2.267 54.435 52.037 0.219 0.000 0.624 1249 A CB -1.004 18.057 19.000 0.100 0.000 0.822 1249 A HN 0.401 nan 8.150 nan 0.000 0.444 1250 T N -1.108 113.713 114.554 0.444 0.000 2.708 1250 T HA -0.131 4.218 4.350 -0.000 0.000 0.266 1250 T C 1.614 176.600 174.700 0.477 0.000 1.037 1250 T CA 1.577 63.976 62.100 0.497 0.000 1.146 1250 T CB -0.397 68.705 68.868 0.389 0.000 0.865 1250 T HN 0.459 nan 8.240 nan 0.000 0.435 1251 F N 0.844 120.948 119.950 0.256 0.000 2.365 1251 F HA 0.004 4.531 4.527 -0.000 0.000 0.300 1251 F C 1.955 177.818 175.800 0.106 0.000 1.090 1251 F CA 0.856 58.964 58.000 0.179 0.000 1.408 1251 F CB -0.163 38.944 39.000 0.177 0.000 1.060 1251 F HN 0.028 nan 8.300 nan 0.000 0.534 1252 M N -1.412 118.274 119.600 0.143 0.000 2.556 1252 M HA 0.038 4.518 4.480 -0.000 0.000 0.264 1252 M C 2.382 178.605 176.300 -0.128 0.000 1.163 1252 M CA 0.723 55.971 55.300 -0.086 0.000 1.186 1252 M CB -1.269 31.276 32.600 -0.090 0.000 1.321 1252 M HN 0.064 nan 8.290 nan 0.000 0.485 1253 V N 0.329 120.203 119.914 -0.067 0.000 2.490 1253 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 1253 V C 1.885 177.779 176.094 -0.332 0.000 1.061 1253 V CA 1.820 63.996 62.300 -0.205 0.000 1.064 1253 V CB -0.403 31.275 31.823 -0.242 0.000 0.670 1253 V HN 0.268 nan 8.190 nan 0.000 0.461 1254 F N -0.436 119.447 119.950 -0.111 0.000 2.569 1254 F HA 0.096 4.623 4.527 -0.000 0.000 0.295 1254 F C 2.371 178.164 175.800 -0.011 0.000 1.115 1254 F CA 1.246 59.156 58.000 -0.151 0.000 1.450 1254 F CB -0.259 38.611 39.000 -0.217 0.000 1.107 1254 F HN 0.164 nan 8.300 nan 0.000 0.563 1255 Q N 0.440 120.233 119.800 -0.012 0.000 2.172 1255 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 1255 Q C 2.203 178.184 176.000 -0.032 0.000 0.964 1255 Q CA 1.260 56.993 55.803 -0.116 0.000 0.855 1255 Q CB -0.024 28.456 28.738 -0.430 0.000 0.918 1255 Q HN 0.361 nan 8.270 nan 0.000 0.444 1256 A N 0.466 123.245 122.820 -0.068 0.000 1.898 1256 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 1256 A C 1.944 179.583 177.584 0.091 0.000 1.183 1256 A CA 0.593 52.603 52.037 -0.045 0.000 0.622 1256 A CB -0.413 18.516 19.000 -0.119 0.000 0.824 1256 A HN 0.399 nan 8.150 nan 0.000 0.444 1257 L N -0.755 120.542 121.223 0.124 0.000 2.156 1257 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 1257 L C 2.983 180.098 176.870 0.409 0.000 1.095 1257 L CA 0.867 55.867 54.840 0.266 0.000 0.770 1257 L CB -0.478 41.718 42.059 0.229 0.000 0.914 1257 L HN 0.434 nan 8.230 nan 0.000 0.439 1258 A N -0.281 122.782 122.820 0.406 0.000 1.897 1258 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 1258 A C 2.214 179.865 177.584 0.112 0.000 1.181 1258 A CA 1.418 53.573 52.037 0.198 0.000 0.620 1258 A CB -0.402 18.756 19.000 0.264 0.000 0.821 1258 A HN 0.345 nan 8.150 nan 0.000 0.443 1259 Q N -1.606 118.291 119.800 0.162 0.000 2.291 1259 Q HA -0.155 4.184 4.340 -0.000 0.000 0.205 1259 Q C 1.619 177.708 176.000 0.148 0.000 0.970 1259 Q CA 1.743 57.623 55.803 0.128 0.000 0.876 1259 Q CB -0.590 28.216 28.738 0.114 0.000 0.935 1259 Q HN 0.757 nan 8.270 nan 0.000 0.455 1260 Y N -0.166 120.176 120.300 0.070 0.000 2.314 1260 Y HA -0.075 4.474 4.550 -0.000 0.000 0.293 1260 Y C 1.633 177.559 175.900 0.043 0.000 1.129 1260 Y CA 1.272 59.421 58.100 0.082 0.000 1.201 1260 Y CB 0.215 38.729 38.460 0.090 0.000 0.999 1260 Y HN 0.119 nan 8.280 nan 0.000 0.541 1261 Q N 0.555 120.336 119.800 -0.032 0.000 2.369 1261 Q HA -0.094 4.246 4.340 -0.000 0.000 0.206 1261 Q C 1.576 177.468 176.000 -0.180 0.000 0.963 1261 Q CA 1.210 56.922 55.803 -0.152 0.000 0.894 1261 Q CB 0.004 28.682 28.738 -0.100 0.000 0.965 1261 Q HN 0.589 nan 8.270 nan 0.000 0.475 1262 K N -0.057 120.266 120.400 -0.129 0.000 2.244 1262 K HA 0.005 4.325 4.320 -0.000 0.000 0.200 1262 K C 0.711 177.236 176.600 -0.125 0.000 1.052 1262 K CA 0.636 56.858 56.287 -0.108 0.000 0.980 1262 K CB 0.461 32.928 32.500 -0.055 0.000 0.838 1262 K HN 0.007 nan 8.250 nan 0.000 0.481 1263 D N 0.945 121.281 120.400 -0.107 0.000 2.339 1263 D HA 0.072 4.712 4.640 -0.000 0.000 0.217 1263 D C -0.090 176.013 176.300 -0.329 0.000 1.050 1263 D CA 0.095 54.049 54.000 -0.077 0.000 0.856 1263 D CB 0.308 41.230 40.800 0.204 0.000 0.922 1263 D HN 0.089 nan 8.370 nan 0.000 0.518 1264 A N 2.107 124.654 122.820 -0.455 0.000 2.491 1264 A HA 0.362 4.682 4.320 -0.000 0.000 0.261 1264 A C -1.772 175.498 177.584 -0.522 0.000 1.101 1264 A CA -0.835 50.834 52.037 -0.613 0.000 0.772 1264 A CB 0.055 18.580 19.000 -0.791 0.000 1.043 1264 A HN -0.032 nan 8.150 nan 0.000 0.501 1265 P HA 0.248 nan 4.420 nan 0.000 0.291 1265 P C -0.324 176.733 177.300 -0.405 0.000 1.287 1265 P CA 0.170 62.929 63.100 -0.569 0.000 0.767 1265 P CB 0.447 31.787 31.700 -0.601 0.000 1.290 1266 D N -4.682 115.439 120.400 -0.465 0.000 2.401 1266 D HA 0.127 4.767 4.640 -0.000 0.000 0.269 1266 D C 0.151 176.317 176.300 -0.223 0.000 1.117 1266 D CA 0.146 53.975 54.000 -0.284 0.000 0.829 1266 D CB 0.277 40.953 40.800 -0.206 0.000 1.350 1266 D HN 0.600 nan 8.370 nan 0.000 0.529 1267 H N -1.187 117.660 119.070 -0.372 0.000 3.619 1267 H HA 0.435 4.990 4.556 -0.000 0.000 0.314 1267 H C -1.386 173.836 175.328 -0.178 0.000 1.587 1267 H CA -1.150 54.730 56.048 -0.281 0.000 1.172 1267 H CB 0.347 29.817 29.762 -0.486 0.000 1.730 1267 H HN -0.118 nan 8.280 nan 0.000 0.780 1268 Q N -0.095 119.765 119.800 0.099 0.000 2.399 1268 Q HA 0.396 4.736 4.340 -0.000 0.000 0.276 1268 Q C -1.102 175.011 176.000 0.189 0.000 1.098 1268 Q CA -1.148 54.696 55.803 0.067 0.000 0.827 1268 Q CB 2.365 31.154 28.738 0.085 0.000 1.386 1268 Q HN 0.619 nan 8.270 nan 0.000 0.443 1269 E N 1.200 121.462 120.200 0.103 0.000 2.757 1269 E HA -0.044 4.305 4.350 -0.000 0.000 0.238 1269 E C -0.867 175.826 176.600 0.155 0.000 1.057 1269 E CA 0.113 56.591 56.400 0.130 0.000 0.952 1269 E CB 0.224 29.976 29.700 0.086 0.000 0.934 1269 E HN 0.281 nan 8.360 nan 0.000 0.518 1270 L N 5.118 126.465 121.223 0.207 0.000 2.360 1270 L HA 0.278 4.618 4.340 -0.000 0.000 0.265 1270 L C -0.902 176.008 176.870 0.067 0.000 1.066 1270 L CA -0.207 54.727 54.840 0.155 0.000 0.929 1270 L CB 0.318 42.507 42.059 0.218 0.000 1.306 1270 L HN 0.265 nan 8.230 nan 0.000 0.434 1271 N N 4.610 123.307 118.700 -0.005 0.000 2.725 1271 N HA 0.286 5.026 4.740 -0.000 0.000 0.248 1271 N C -1.684 173.765 175.510 -0.101 0.000 1.402 1271 N CA -0.279 52.684 53.050 -0.145 0.000 0.766 1271 N CB 0.425 38.864 38.487 -0.080 0.000 1.223 1271 N HN 0.470 nan 8.380 nan 0.000 0.515 1272 L N 0.753 121.920 121.223 -0.093 0.000 2.276 1272 L HA 0.348 4.688 4.340 -0.000 0.000 0.286 1272 L C 0.304 177.152 176.870 -0.037 0.000 1.061 1272 L CA -0.546 54.271 54.840 -0.039 0.000 0.807 1272 L CB 1.044 43.096 42.059 -0.012 0.000 1.177 1272 L HN 0.284 nan 8.230 nan 0.000 0.429 1273 D N 3.177 123.571 120.400 -0.009 0.000 2.781 1273 D HA 0.156 4.796 4.640 -0.000 0.000 0.254 1273 D C -0.495 175.824 176.300 0.032 0.000 1.213 1273 D CA -0.314 53.692 54.000 0.010 0.000 0.994 1273 D CB 0.496 41.302 40.800 0.011 0.000 1.019 1273 D HN 0.044 nan 8.370 nan 0.000 0.514 1274 V N 2.346 122.288 119.914 0.047 0.000 2.415 1274 V HA 0.216 4.335 4.120 -0.000 0.000 0.267 1274 V C 0.509 176.654 176.094 0.085 0.000 1.042 1274 V CA -0.256 62.081 62.300 0.061 0.000 1.000 1274 V CB 0.604 32.461 31.823 0.056 0.000 1.015 1274 V HN 0.539 nan 8.190 nan 0.000 0.478 1275 S N 6.753 122.495 115.700 0.070 0.000 2.596 1275 S HA 0.779 5.249 4.470 -0.000 0.000 0.318 1275 S C -0.791 173.856 174.600 0.077 0.000 1.097 1275 S CA -0.840 57.403 58.200 0.072 0.000 1.080 1275 S CB 1.308 64.536 63.200 0.047 0.000 0.991 1275 S HN 0.697 nan 8.310 nan 0.000 0.471 1276 L N 1.072 122.348 121.223 0.088 0.000 2.322 1276 L HA 0.706 5.046 4.340 -0.000 0.000 0.281 1276 L C -0.505 176.410 176.870 0.075 0.000 1.014 1276 L CA -0.784 54.116 54.840 0.101 0.000 0.815 1276 L CB 1.520 43.646 42.059 0.111 0.000 1.247 1276 L HN 0.766 nan 8.230 nan 0.000 0.421 1277 Q N 2.834 122.692 119.800 0.096 0.000 2.337 1277 Q HA 0.596 4.936 4.340 -0.000 0.000 0.266 1277 Q C -1.741 174.320 176.000 0.103 0.000 1.023 1277 Q CA -0.854 54.992 55.803 0.071 0.000 0.829 1277 Q CB 2.246 31.019 28.738 0.059 0.000 1.306 1277 Q HN 0.742 nan 8.270 nan 0.000 0.449 1278 L N 5.726 126.984 121.223 0.059 0.000 2.325 1278 L HA 0.419 4.758 4.340 -0.000 0.000 0.278 1278 L C -1.782 175.127 176.870 0.064 0.000 1.023 1278 L CA -1.887 53.000 54.840 0.078 0.000 0.811 1278 L CB 1.102 43.158 42.059 -0.005 0.000 1.249 1278 L HN 0.615 nan 8.230 nan 0.000 0.431 1279 P HA -0.138 nan 4.420 nan 0.000 0.216 1279 P C 0.866 178.186 177.300 0.033 0.000 1.150 1279 P CA 0.938 64.069 63.100 0.052 0.000 0.837 1279 P CB 0.303 32.036 31.700 0.055 0.000 0.786 1280 S N -0.542 115.176 115.700 0.029 0.000 2.849 1280 S HA 0.226 4.696 4.470 -0.000 0.000 0.244 1280 S C 0.147 174.751 174.600 0.006 0.000 1.297 1280 S CA -0.529 57.680 58.200 0.015 0.000 1.241 1280 S CB -1.187 62.020 63.200 0.012 0.000 0.958 1280 S HN -0.056 nan 8.310 nan 0.000 0.489 1281 R N -0.387 120.119 120.500 0.009 0.000 2.633 1281 R HA 0.288 4.628 4.340 -0.000 0.000 0.256 1281 R C 0.338 176.642 176.300 0.007 0.000 1.131 1281 R CA -0.262 55.840 56.100 0.003 0.000 0.994 1281 R CB 0.508 30.806 30.300 -0.004 0.000 1.261 1281 R HN 0.238 nan 8.270 nan 0.000 0.446 1282 S N 0.671 116.374 115.700 0.004 0.000 2.355 1282 S HA -0.004 4.466 4.470 -0.000 0.000 0.210 1282 S C 0.447 175.051 174.600 0.006 0.000 1.035 1282 S CA 0.679 58.882 58.200 0.005 0.000 1.011 1282 S CB -0.150 63.051 63.200 0.003 0.000 1.000 1282 S HN 0.665 nan 8.310 nan 0.000 0.423 1283 S N 1.631 117.332 115.700 0.003 0.000 2.596 1283 S HA 0.214 4.684 4.470 -0.000 0.000 0.260 1283 S C 0.306 174.909 174.600 0.005 0.000 1.336 1283 S CA -0.128 58.074 58.200 0.002 0.000 0.993 1283 S CB 0.330 63.528 63.200 -0.003 0.000 0.923 1283 S HN 0.266 nan 8.310 nan 0.000 0.567 1284 K N 0.408 120.812 120.400 0.006 0.000 2.148 1284 K HA 0.441 4.761 4.320 -0.000 0.000 0.239 1284 K C -0.669 175.934 176.600 0.006 0.000 1.018 1284 K CA -0.632 55.662 56.287 0.012 0.000 0.923 1284 K CB 0.398 32.909 32.500 0.017 0.000 1.117 1284 K HN 0.308 nan 8.250 nan 0.000 0.477 1285 I N 2.429 123.012 120.570 0.022 0.000 2.428 1285 I HA 0.138 4.308 4.170 -0.000 0.000 0.279 1285 I C -0.418 175.732 176.117 0.055 0.000 1.040 1285 I CA -0.282 61.039 61.300 0.034 0.000 1.171 1285 I CB 0.610 38.654 38.000 0.073 0.000 1.312 1285 I HN 0.491 nan 8.210 nan 0.000 0.470 1286 T N 5.553 120.082 114.554 -0.043 0.000 2.799 1286 T HA 0.465 4.815 4.350 -0.000 0.000 0.286 1286 T C -0.165 174.420 174.700 -0.192 0.000 0.973 1286 T CA -0.219 61.855 62.100 -0.045 0.000 1.035 1286 T CB 1.026 69.867 68.868 -0.045 0.000 0.932 1286 T HN 0.320 nan 8.240 nan 0.000 0.469 1287 H N 2.147 121.223 119.070 0.009 0.000 2.771 1287 H HA 0.432 4.987 4.556 -0.000 0.000 0.361 1287 H C -0.288 175.043 175.328 0.004 0.000 1.108 1287 H CA -0.735 55.319 56.048 0.010 0.000 1.201 1287 H CB 2.013 31.777 29.762 0.004 0.000 1.681 1287 H HN 0.371 nan 8.280 nan 0.000 0.534 1288 R N 2.593 123.162 120.500 0.116 0.000 2.494 1288 R HA 0.493 4.833 4.340 -0.000 0.000 0.305 1288 R C -0.398 175.915 176.300 0.022 0.000 0.959 1288 R CA -0.707 55.414 56.100 0.034 0.000 0.864 1288 R CB 1.881 32.203 30.300 0.038 0.000 1.159 1288 R HN 0.440 nan 8.270 nan 0.000 0.446 1289 I N 3.604 124.125 120.570 -0.081 0.000 2.354 1289 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 1289 I C -0.239 175.791 176.117 -0.145 0.000 1.007 1289 I CA -0.619 60.652 61.300 -0.048 0.000 1.167 1289 I CB 1.098 39.085 38.000 -0.021 0.000 1.320 1289 I HN 0.516 nan 8.210 nan 0.000 0.458 1290 H N 4.078 123.183 119.070 0.058 0.000 2.570 1290 H HA 0.143 4.699 4.556 -0.000 0.000 0.342 1290 H C 0.465 175.850 175.328 0.094 0.000 1.245 1290 H CA -0.414 55.692 56.048 0.097 0.000 1.318 1290 H CB 1.596 31.418 29.762 0.099 0.000 1.694 1290 H HN 0.654 nan 8.280 nan 0.000 0.592 1291 W N 1.393 122.756 121.300 0.105 0.000 2.363 1291 W HA -0.177 4.483 4.660 -0.000 0.000 0.296 1291 W C 0.558 177.052 176.519 -0.041 0.000 1.212 1291 W CA 1.747 59.054 57.345 -0.064 0.000 1.260 1291 W CB 0.139 29.497 29.460 -0.170 0.000 1.131 1291 W HN 0.716 nan 8.180 nan 0.000 0.530 1292 E N 0.523 120.716 120.200 -0.011 0.000 2.072 1292 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 1292 E C 2.096 178.608 176.600 -0.147 0.000 0.982 1292 E CA 1.974 58.294 56.400 -0.133 0.000 0.803 1292 E CB -0.641 29.076 29.700 0.029 0.000 0.755 1292 E HN 0.168 nan 8.360 nan 0.000 0.453 1293 S N -0.286 115.391 115.700 -0.039 0.000 2.602 1293 S HA 0.585 5.054 4.470 -0.000 0.000 0.246 1293 S C 0.582 175.148 174.600 -0.056 0.000 1.009 1293 S CA -0.329 57.854 58.200 -0.028 0.000 1.052 1293 S CB 0.041 63.272 63.200 0.050 0.000 0.778 1293 S HN 0.228 nan 8.310 nan 0.000 0.455 1294 A N 1.874 124.606 122.820 -0.146 0.000 2.267 1294 A HA 0.677 4.997 4.320 -0.000 0.000 0.271 1294 A C 1.218 178.717 177.584 -0.142 0.000 1.131 1294 A CA 0.025 51.973 52.037 -0.150 0.000 0.818 1294 A CB -0.436 18.417 19.000 -0.245 0.000 1.118 1294 A HN 1.758 nan 8.150 nan 0.000 0.501 1295 S N -2.582 113.049 115.700 -0.116 0.000 3.521 1295 S HA -0.172 4.298 4.470 -0.000 0.000 0.362 1295 S C -0.364 174.191 174.600 -0.076 0.000 1.044 1295 S CA 1.172 59.315 58.200 -0.094 0.000 1.091 1295 S CB -2.275 60.856 63.200 -0.115 0.000 0.908 1295 S HN 1.980 nan 8.310 nan 0.000 0.473 1296 L N 1.012 122.197 121.223 -0.063 0.000 2.313 1296 L HA 0.652 4.992 4.340 -0.000 0.000 0.283 1296 L C -0.032 176.807 176.870 -0.052 0.000 1.013 1296 L CA -0.879 53.931 54.840 -0.051 0.000 0.816 1296 L CB 1.309 43.345 42.059 -0.037 0.000 1.236 1296 L HN 0.423 nan 8.230 nan 0.000 0.419 1297 L N 6.341 127.535 121.223 -0.049 0.000 2.401 1297 L HA 0.346 4.686 4.340 -0.000 0.000 0.283 1297 L C 0.210 177.039 176.870 -0.069 0.000 1.151 1297 L CA -0.039 54.768 54.840 -0.054 0.000 0.942 1297 L CB -0.381 41.653 42.059 -0.042 0.000 1.283 1297 L HN 0.555 nan 8.230 nan 0.000 0.442 1298 R N 2.186 122.621 120.500 -0.109 0.000 2.296 1298 R HA 0.212 4.552 4.340 -0.000 0.000 0.327 1298 R C 0.099 176.286 176.300 -0.188 0.000 1.137 1298 R CA -0.219 55.775 56.100 -0.176 0.000 1.020 1298 R CB 0.746 30.848 30.300 -0.331 0.000 1.110 1298 R HN 0.557 nan 8.270 nan 0.000 0.499 1299 S N 1.785 117.414 115.700 -0.118 0.000 2.608 1299 S HA 0.469 4.939 4.470 -0.000 0.000 0.291 1299 S C -0.320 174.229 174.600 -0.085 0.000 1.146 1299 S CA -1.007 57.135 58.200 -0.095 0.000 1.043 1299 S CB 2.289 65.454 63.200 -0.059 0.000 1.037 1299 S HN 0.351 nan 8.310 nan 0.000 0.520 1300 E N 1.926 122.072 120.200 -0.090 0.000 2.265 1300 E HA 0.280 4.629 4.350 -0.000 0.000 0.262 1300 E C -0.929 175.618 176.600 -0.090 0.000 0.889 1300 E CA -0.592 55.760 56.400 -0.079 0.000 0.789 1300 E CB 1.813 31.457 29.700 -0.093 0.000 1.221 1300 E HN 0.824 nan 8.360 nan 0.000 0.414 1301 E N 1.378 121.541 120.200 -0.061 0.000 2.242 1301 E HA 0.588 4.938 4.350 -0.000 0.000 0.275 1301 E C -0.582 175.984 176.600 -0.057 0.000 1.002 1301 E CA -0.841 55.527 56.400 -0.053 0.000 0.841 1301 E CB 1.497 31.180 29.700 -0.027 0.000 1.109 1301 E HN 0.116 nan 8.360 nan 0.000 0.394 1302 T N 2.410 116.933 114.554 -0.053 0.000 3.186 1302 T HA 0.219 4.569 4.350 -0.000 0.000 0.320 1302 T C 0.505 175.195 174.700 -0.017 0.000 0.955 1302 T CA -0.729 61.343 62.100 -0.046 0.000 1.030 1302 T CB 0.889 69.709 68.868 -0.080 0.000 1.013 1302 T HN 0.360 nan 8.240 nan 0.000 0.454 1303 K N 1.168 121.564 120.400 -0.006 0.000 2.442 1303 K HA -0.021 4.299 4.320 -0.000 0.000 0.198 1303 K C 0.838 177.443 176.600 0.009 0.000 1.044 1303 K CA 0.741 57.032 56.287 0.007 0.000 0.948 1303 K CB 0.467 32.973 32.500 0.009 0.000 0.762 1303 K HN 0.540 nan 8.250 nan 0.000 0.472 1304 E N 1.536 121.738 120.200 0.004 0.000 2.175 1304 E HA 0.058 4.408 4.350 -0.000 0.000 0.278 1304 E C -0.987 175.625 176.600 0.019 0.000 0.969 1304 E CA -0.633 55.772 56.400 0.008 0.000 0.796 1304 E CB 0.774 30.479 29.700 0.007 0.000 1.104 1304 E HN -0.105 nan 8.360 nan 0.000 0.395 1305 N N 4.468 123.179 118.700 0.018 0.000 2.555 1305 N HA 0.060 4.800 4.740 -0.000 0.000 0.244 1305 N C -1.258 174.278 175.510 0.043 0.000 1.114 1305 N CA 0.105 53.172 53.050 0.029 0.000 0.963 1305 N CB 0.323 38.807 38.487 -0.004 0.000 1.276 1305 N HN 0.418 nan 8.380 nan 0.000 0.510 1306 E N 0.569 120.822 120.200 0.089 0.000 2.339 1306 E HA 0.478 4.827 4.350 -0.000 0.000 0.262 1306 E C -0.177 176.506 176.600 0.140 0.000 0.934 1306 E CA -1.030 55.427 56.400 0.095 0.000 0.802 1306 E CB 1.331 31.086 29.700 0.092 0.000 1.275 1306 E HN 0.490 nan 8.360 nan 0.000 0.427 1307 G N 1.731 110.574 108.800 0.071 0.000 2.696 1307 G HA2 0.406 4.366 3.960 -0.000 0.000 0.329 1307 G HA3 0.406 4.366 3.960 -0.000 0.000 0.329 1307 G C -0.141 174.766 174.900 0.011 0.000 0.973 1307 G CA -0.354 44.739 45.100 -0.012 0.000 1.257 1307 G HN 0.231 nan 8.290 nan 0.000 0.456 1308 F N 1.373 121.321 119.950 -0.004 0.000 2.362 1308 F HA 0.843 5.369 4.527 -0.000 0.000 0.311 1308 F C 0.405 176.205 175.800 0.001 0.000 1.161 1308 F CA -1.206 56.793 58.000 -0.000 0.000 1.085 1308 F CB 0.995 39.996 39.000 0.002 0.000 1.311 1308 F HN 0.264 nan 8.300 nan 0.000 0.524 1309 T N -0.629 114.024 114.554 0.165 0.000 2.881 1309 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 1309 T C -1.206 173.595 174.700 0.168 0.000 1.000 1309 T CA -0.784 61.348 62.100 0.053 0.000 0.978 1309 T CB 1.033 69.916 68.868 0.025 0.000 0.997 1309 T HN 0.670 nan 8.240 nan 0.000 0.443 1310 V N 3.081 123.069 119.914 0.124 0.000 2.435 1310 V HA 0.635 4.754 4.120 -0.000 0.000 0.290 1310 V C 0.126 176.265 176.094 0.074 0.000 1.030 1310 V CA -0.560 61.823 62.300 0.138 0.000 0.881 1310 V CB 1.797 33.716 31.823 0.159 0.000 0.983 1310 V HN 1.133 nan 8.190 nan 0.000 0.445 1311 T N 4.353 118.949 114.554 0.069 0.000 2.864 1311 T HA 0.675 5.025 4.350 -0.000 0.000 0.299 1311 T C -0.018 174.708 174.700 0.044 0.000 1.011 1311 T CA -0.226 61.902 62.100 0.047 0.000 0.975 1311 T CB 1.405 70.298 68.868 0.041 0.000 0.962 1311 T HN 0.906 nan 8.240 nan 0.000 0.448 1312 A N 3.078 125.919 122.820 0.036 0.000 2.295 1312 A HA 0.860 5.180 4.320 -0.000 0.000 0.318 1312 A C -0.121 177.479 177.584 0.026 0.000 1.134 1312 A CA -0.602 51.454 52.037 0.032 0.000 0.827 1312 A CB 0.914 19.931 19.000 0.029 0.000 1.136 1312 A HN 0.807 nan 8.150 nan 0.000 0.493 1313 E N 0.115 120.329 120.200 0.023 0.000 2.381 1313 E HA 0.502 4.852 4.350 -0.000 0.000 0.286 1313 E C -0.378 176.232 176.600 0.017 0.000 0.960 1313 E CA 0.122 56.535 56.400 0.021 0.000 0.793 1313 E CB 1.638 31.351 29.700 0.021 0.000 1.225 1313 E HN 2.103 nan 8.360 nan 0.000 0.420 1314 G N 2.393 111.205 108.800 0.019 0.000 2.373 1314 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.634 1314 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.634 1314 G C -1.571 173.343 174.900 0.024 0.000 1.267 1314 G CA -0.824 44.288 45.100 0.019 0.000 1.008 1314 G HN 0.425 nan 8.290 nan 0.000 0.497 1315 K N 0.194 120.611 120.400 0.029 0.000 2.156 1315 K HA 0.814 5.134 4.320 -0.000 0.000 0.271 1315 K C 0.753 177.380 176.600 0.044 0.000 0.995 1315 K CA 0.716 57.027 56.287 0.040 0.000 0.890 1315 K CB 1.355 33.885 32.500 0.050 0.000 1.073 1315 K HN 2.170 nan 8.250 nan 0.000 0.454 1316 G N 0.561 109.392 108.800 0.052 0.000 2.302 1316 G HA2 0.097 4.057 3.960 -0.000 0.000 0.276 1316 G HA3 0.097 4.057 3.960 -0.000 0.000 0.276 1316 G C -1.798 173.133 174.900 0.052 0.000 1.316 1316 G CA -0.865 44.272 45.100 0.062 0.000 0.988 1316 G HN 0.568 nan 8.290 nan 0.000 0.479 1317 Q N -0.660 119.171 119.800 0.052 0.000 2.327 1317 Q HA 0.583 4.923 4.340 -0.000 0.000 0.265 1317 Q C -0.201 175.819 176.000 0.033 0.000 0.993 1317 Q CA -0.006 55.823 55.803 0.042 0.000 0.885 1317 Q CB 1.474 30.241 28.738 0.049 0.000 1.379 1317 Q HN 1.725 nan 8.270 nan 0.000 0.408 1318 G N 0.766 109.580 108.800 0.023 0.000 3.166 1318 G HA2 0.795 4.755 3.960 -0.000 0.000 0.267 1318 G HA3 0.795 4.755 3.960 -0.000 0.000 0.267 1318 G C -1.278 173.629 174.900 0.011 0.000 1.256 1318 G CA -0.483 44.624 45.100 0.013 0.000 0.859 1318 G HN 0.449 nan 8.290 nan 0.000 0.590 1319 T N 0.135 114.692 114.554 0.005 0.000 3.105 1319 T HA 0.466 4.816 4.350 -0.000 0.000 0.321 1319 T C -1.641 173.062 174.700 0.006 0.000 1.135 1319 T CA -0.290 61.813 62.100 0.006 0.000 1.053 1319 T CB 1.828 70.698 68.868 0.003 0.000 1.133 1319 T HN 0.559 nan 8.240 nan 0.000 0.463 1320 L N 3.604 124.836 121.223 0.015 0.000 2.329 1320 L HA 0.876 5.216 4.340 -0.000 0.000 0.279 1320 L C -0.490 176.397 176.870 0.028 0.000 1.014 1320 L CA -0.119 54.736 54.840 0.025 0.000 0.814 1320 L CB 1.537 43.621 42.059 0.042 0.000 1.257 1320 L HN 0.764 nan 8.230 nan 0.000 0.424 1321 S N 3.673 119.392 115.700 0.032 0.000 2.619 1321 S HA 0.818 5.287 4.470 -0.000 0.000 0.280 1321 S C -1.230 173.402 174.600 0.054 0.000 1.150 1321 S CA -0.729 57.492 58.200 0.034 0.000 0.978 1321 S CB 1.449 64.659 63.200 0.017 0.000 1.041 1321 S HN 0.424 nan 8.310 nan 0.000 0.485 1322 V N 3.196 123.155 119.914 0.075 0.000 2.443 1322 V HA 0.651 4.770 4.120 -0.000 0.000 0.293 1322 V C -0.812 175.329 176.094 0.079 0.000 1.021 1322 V CA -0.529 61.836 62.300 0.108 0.000 0.848 1322 V CB 1.501 33.454 31.823 0.217 0.000 0.998 1322 V HN 0.873 nan 8.190 nan 0.000 0.424 1323 V N 3.771 123.723 119.914 0.063 0.000 2.638 1323 V HA 0.600 4.720 4.120 -0.000 0.000 0.306 1323 V C 0.122 176.252 176.094 0.060 0.000 1.052 1323 V CA -0.541 61.792 62.300 0.055 0.000 0.885 1323 V CB 2.537 34.383 31.823 0.038 0.000 0.999 1323 V HN 0.956 nan 8.190 nan 0.000 0.424 1324 T N 2.838 117.437 114.554 0.076 0.000 2.829 1324 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 1324 T C -0.533 174.252 174.700 0.141 0.000 0.990 1324 T CA -0.658 61.495 62.100 0.087 0.000 1.028 1324 T CB 1.254 70.161 68.868 0.065 0.000 0.951 1324 T HN 0.453 nan 8.240 nan 0.000 0.460 1325 M N 3.635 123.311 119.600 0.126 0.000 2.364 1325 M HA 0.638 5.117 4.480 -0.000 0.000 0.334 1325 M C -1.086 175.323 176.300 0.183 0.000 1.107 1325 M CA -0.928 54.438 55.300 0.111 0.000 0.988 1325 M CB 1.733 34.340 32.600 0.011 0.000 1.673 1325 M HN 0.953 nan 8.290 nan 0.000 0.441 1326 Y N -0.884 119.350 120.300 -0.110 0.000 2.871 1326 Y HA 0.557 5.106 4.550 -0.000 0.000 0.331 1326 Y C -1.745 174.019 175.900 -0.227 0.000 1.378 1326 Y CA -1.529 56.506 58.100 -0.109 0.000 1.079 1326 Y CB 0.844 39.302 38.460 -0.004 0.000 1.441 1326 Y HN 0.593 nan 8.280 nan 0.000 0.446 1327 H N 1.158 120.204 119.070 -0.038 0.000 2.597 1327 H HA 0.778 5.334 4.556 -0.000 0.000 0.303 1327 H C -0.414 174.851 175.328 -0.105 0.000 1.057 1327 H CA -0.095 55.869 56.048 -0.140 0.000 1.261 1327 H CB 1.276 31.032 29.762 -0.009 0.000 1.397 1327 H HN 0.909 nan 8.280 nan 0.000 0.461 1328 A N 3.041 125.723 122.820 -0.230 0.000 2.310 1328 A HA 0.227 4.547 4.320 -0.000 0.000 0.299 1328 A C 0.511 178.131 177.584 0.060 0.000 1.147 1328 A CA -0.827 51.199 52.037 -0.017 0.000 0.818 1328 A CB 0.406 19.323 19.000 -0.139 0.000 1.096 1328 A HN 0.796 nan 8.150 nan 0.000 0.495 1329 K N 2.524 122.989 120.400 0.108 0.000 2.715 1329 K HA 0.287 4.607 4.320 -0.000 0.000 0.248 1329 K C 1.125 177.757 176.600 0.052 0.000 1.276 1329 K CA 0.332 56.663 56.287 0.073 0.000 1.209 1329 K CB -0.493 32.052 32.500 0.075 0.000 1.509 1329 K HN 0.749 nan 8.250 nan 0.000 0.261 1330 A N 2.531 125.372 122.820 0.035 0.000 1.835 1330 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 1330 A C 0.212 177.812 177.584 0.026 0.000 1.199 1330 A CA 0.856 52.908 52.037 0.025 0.000 0.615 1330 A CB -0.291 18.714 19.000 0.009 0.000 0.838 1330 A HN 0.613 nan 8.150 nan 0.000 0.444 1331 K N 1.373 121.789 120.400 0.026 0.000 2.386 1331 K HA -0.086 4.234 4.320 -0.000 0.000 0.255 1331 K C -0.331 176.285 176.600 0.027 0.000 1.134 1331 K CA 0.819 57.122 56.287 0.027 0.000 1.203 1331 K CB -0.576 31.942 32.500 0.030 0.000 0.768 1331 K HN 0.561 nan 8.250 nan 0.000 0.501 1332 D N 1.016 121.431 120.400 0.024 0.000 3.439 1332 D HA -0.234 4.406 4.640 -0.000 0.000 0.238 1332 D C -0.296 176.017 176.300 0.023 0.000 1.727 1332 D CA 0.873 54.886 54.000 0.021 0.000 1.145 1332 D CB -0.310 40.500 40.800 0.018 0.000 0.764 1332 D HN 0.631 nan 8.370 nan 0.000 0.938 1333 Q N 0.282 120.094 119.800 0.021 0.000 2.398 1333 Q HA 0.136 4.476 4.340 -0.000 0.000 0.329 1333 Q C 0.666 176.684 176.000 0.030 0.000 1.079 1333 Q CA 0.531 56.348 55.803 0.024 0.000 1.041 1333 Q CB 0.024 28.775 28.738 0.021 0.000 1.084 1333 Q HN 0.501 nan 8.270 nan 0.000 0.386 1334 L N 1.774 123.018 121.223 0.035 0.000 3.597 1334 L HA -0.317 4.023 4.340 -0.000 0.000 0.440 1334 L C 1.023 177.913 176.870 0.034 0.000 1.277 1334 L CA 0.393 55.255 54.840 0.035 0.000 0.852 1334 L CB -1.209 40.867 42.059 0.029 0.000 1.708 1334 L HN 1.034 nan 8.230 nan 0.000 0.885 1335 T N -4.651 109.927 114.554 0.039 0.000 3.407 1335 T HA -0.119 4.231 4.350 -0.000 0.000 0.204 1335 T C 1.461 176.191 174.700 0.049 0.000 0.879 1335 T CA 0.801 62.925 62.100 0.040 0.000 2.438 1335 T CB 0.019 68.913 68.868 0.043 0.000 1.594 1335 T HN 0.801 nan 8.240 nan 0.000 0.353 1336 c N 0.974 119.613 118.600 0.065 0.000 5.678 1336 c HA -0.313 4.257 4.570 -0.000 0.000 0.302 1336 c C 1.095 175.256 174.090 0.118 0.000 2.210 1336 c CA 1.421 57.804 56.329 0.090 0.000 1.973 1336 c CB -2.683 39.878 42.510 0.085 0.000 2.925 1336 c HN 1.147 nan 8.230 nan 0.000 0.410 1337 N N -0.926 117.816 118.700 0.070 0.000 1.191 1337 N HA -0.230 4.510 4.740 -0.000 0.000 0.120 1337 N C -0.116 175.376 175.510 -0.030 0.000 0.826 1337 N CA 1.898 54.972 53.050 0.040 0.000 0.876 1337 N CB -1.072 37.466 38.487 0.086 0.000 1.050 1337 N HN 0.666 nan 8.380 nan 0.000 0.603 1338 K N 0.837 121.164 120.400 -0.122 0.000 3.165 1338 K HA 0.386 4.706 4.320 -0.000 0.000 0.270 1338 K C -0.772 175.360 176.600 -0.779 0.000 1.111 1338 K CA 0.379 56.336 56.287 -0.551 0.000 1.216 1338 K CB -0.499 31.468 32.500 -0.889 0.000 1.229 1338 K HN 0.248 nan 8.250 nan 0.000 0.435 1339 F N -0.564 119.346 119.950 -0.065 0.000 2.608 1339 F HA 0.262 4.788 4.527 -0.000 0.000 0.309 1339 F C -0.717 175.090 175.800 0.012 0.000 1.103 1339 F CA -1.287 56.722 58.000 0.015 0.000 0.954 1339 F CB 2.005 41.042 39.000 0.061 0.000 1.267 1339 F HN -0.115 nan 8.300 nan 0.000 0.444 1340 D N 3.398 123.923 120.400 0.208 0.000 2.432 1340 D HA 0.290 4.930 4.640 -0.000 0.000 0.265 1340 D C -1.049 175.326 176.300 0.125 0.000 1.160 1340 D CA -0.197 53.879 54.000 0.127 0.000 0.911 1340 D CB 1.524 42.369 40.800 0.075 0.000 1.052 1340 D HN 0.217 nan 8.370 nan 0.000 0.508 1341 L N 2.209 123.499 121.223 0.112 0.000 2.265 1341 L HA 0.398 4.738 4.340 -0.000 0.000 0.288 1341 L C -0.678 176.221 176.870 0.048 0.000 1.058 1341 L CA -0.229 54.654 54.840 0.073 0.000 0.809 1341 L CB 0.539 42.623 42.059 0.043 0.000 1.179 1341 L HN -0.039 nan 8.230 nan 0.000 0.429 1342 K N 4.126 124.547 120.400 0.035 0.000 2.450 1342 K HA 0.640 4.960 4.320 -0.000 0.000 0.257 1342 K C -1.302 175.298 176.600 -0.001 0.000 0.953 1342 K CA -0.329 55.972 56.287 0.023 0.000 0.844 1342 K CB 2.017 34.530 32.500 0.021 0.000 1.103 1342 K HN 0.353 nan 8.250 nan 0.000 0.429 1343 V N 2.452 122.368 119.914 0.003 0.000 2.555 1343 V HA 0.609 4.729 4.120 -0.000 0.000 0.302 1343 V C -0.457 175.620 176.094 -0.029 0.000 1.038 1343 V CA -0.625 61.654 62.300 -0.036 0.000 0.887 1343 V CB 2.066 33.882 31.823 -0.011 0.000 0.991 1343 V HN 0.787 nan 8.190 nan 0.000 0.434 1344 T N 5.188 119.684 114.554 -0.097 0.000 2.933 1344 T HA 0.621 4.971 4.350 -0.000 0.000 0.305 1344 T C -1.048 173.563 174.700 -0.149 0.000 1.092 1344 T CA -0.300 61.754 62.100 -0.076 0.000 1.008 1344 T CB 1.979 70.814 68.868 -0.056 0.000 1.102 1344 T HN 0.462 nan 8.240 nan 0.000 0.469 1345 I N 2.634 123.143 120.570 -0.102 0.000 2.433 1345 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 1345 I C -1.031 175.027 176.117 -0.098 0.000 1.001 1345 I CA -0.461 60.753 61.300 -0.143 0.000 1.119 1345 I CB 0.957 38.896 38.000 -0.102 0.000 1.289 1345 I HN 0.512 nan 8.210 nan 0.000 0.438 1346 K N 7.218 127.551 120.400 -0.113 0.000 2.502 1346 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 1346 K C -2.665 173.893 176.600 -0.071 0.000 0.938 1346 K CA -1.651 54.590 56.287 -0.076 0.000 0.819 1346 K CB 1.826 34.286 32.500 -0.066 0.000 1.333 1346 K HN 0.254 nan 8.250 nan 0.000 0.434 1347 P HA 0.033 nan 4.420 nan 0.000 0.274 1347 P C -1.199 176.083 177.300 -0.030 0.000 1.264 1347 P CA -0.323 62.761 63.100 -0.028 0.000 0.795 1347 P CB 0.472 32.164 31.700 -0.013 0.000 1.064 1348 A N 0.052 122.862 122.820 -0.017 0.000 2.356 1348 A HA 0.703 5.023 4.320 -0.000 0.000 0.323 1348 A C -2.008 175.574 177.584 -0.004 0.000 1.119 1348 A CA -1.117 50.911 52.037 -0.015 0.000 0.790 1348 A CB -1.219 17.773 19.000 -0.013 0.000 1.273 1348 A HN 0.447 nan 8.150 nan 0.000 0.452 1360 N N 1.206 119.929 118.700 0.039 0.000 2.171 1360 N HA -0.048 4.692 4.740 -0.000 0.000 0.184 1360 N C -0.290 175.281 175.510 0.101 0.000 1.021 1360 N CA 1.760 54.855 53.050 0.075 0.000 0.854 1360 N CB -0.319 38.232 38.487 0.106 0.000 0.994 1360 N HN 0.460 nan 8.380 nan 0.000 0.426 1361 T N 0.304 114.947 114.554 0.147 0.000 0.543 1361 T HA -0.232 4.117 4.350 -0.000 0.000 0.774 1361 T C -0.502 174.206 174.700 0.012 0.000 0.992 1361 T CA 0.679 62.810 62.100 0.052 0.000 4.076 1361 T CB -0.480 68.351 68.868 -0.060 0.000 2.302 1361 T HN 0.140 nan 8.240 nan 0.000 0.398 1362 M N 3.826 123.405 119.600 -0.035 0.000 2.704 1362 M HA 0.636 5.115 4.480 -0.000 0.000 0.284 1362 M C -0.496 175.715 176.300 -0.148 0.000 1.275 1362 M CA -1.051 54.201 55.300 -0.081 0.000 0.811 1362 M CB 2.088 34.632 32.600 -0.094 0.000 1.741 1362 M HN 0.494 nan 8.290 nan 0.000 0.458 1363 I N 1.951 122.421 120.570 -0.165 0.000 2.378 1363 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 1363 I C -1.286 174.648 176.117 -0.305 0.000 0.992 1363 I CA -0.812 60.361 61.300 -0.211 0.000 1.154 1363 I CB 1.733 39.646 38.000 -0.146 0.000 1.315 1363 I HN 0.356 nan 8.210 nan 0.000 0.448 1364 L N 7.106 128.046 121.223 -0.471 0.000 2.313 1364 L HA 0.383 4.722 4.340 -0.000 0.000 0.273 1364 L C -0.140 176.422 176.870 -0.515 0.000 1.028 1364 L CA -0.026 54.451 54.840 -0.605 0.000 0.871 1364 L CB 0.886 42.388 42.059 -0.928 0.000 1.242 1364 L HN 0.556 nan 8.230 nan 0.000 0.434 1365 E N 5.107 125.114 120.200 -0.321 0.000 2.200 1365 E HA 0.422 4.772 4.350 -0.000 0.000 0.283 1365 E C -1.137 175.359 176.600 -0.173 0.000 1.015 1365 E CA -0.409 55.868 56.400 -0.205 0.000 0.819 1365 E CB 0.874 30.496 29.700 -0.130 0.000 1.081 1365 E HN 0.643 nan 8.360 nan 0.000 0.397 1366 I N 5.436 125.935 120.570 -0.118 0.000 2.420 1366 I HA 0.268 4.438 4.170 -0.000 0.000 0.282 1366 I C -0.658 175.446 176.117 -0.022 0.000 1.019 1366 I CA -0.831 60.425 61.300 -0.073 0.000 1.130 1366 I CB 1.201 39.167 38.000 -0.057 0.000 1.262 1366 I HN 0.533 nan 8.210 nan 0.000 0.454 1367 c N 3.677 122.272 118.600 -0.010 0.000 2.366 1367 c HA 0.793 5.362 4.570 -0.000 0.000 0.345 1367 c C 0.637 174.753 174.090 0.045 0.000 1.209 1367 c CA -0.291 56.048 56.329 0.017 0.000 2.050 1367 c CB 1.405 43.923 42.510 0.013 0.000 2.359 1367 c HN 0.769 nan 8.230 nan 0.000 0.527 1368 T N 2.159 116.756 114.554 0.071 0.000 2.923 1368 T HA 0.659 5.009 4.350 -0.000 0.000 0.311 1368 T C -1.205 173.583 174.700 0.145 0.000 1.183 1368 T CA -0.511 61.665 62.100 0.127 0.000 1.020 1368 T CB 1.252 70.212 68.868 0.152 0.000 1.165 1368 T HN 0.892 nan 8.240 nan 0.000 0.482 1369 R N 1.827 122.438 120.500 0.185 0.000 2.799 1369 R HA 0.608 4.948 4.340 -0.000 0.000 0.270 1369 R C -2.104 174.287 176.300 0.152 0.000 1.010 1369 R CA -0.809 55.383 56.100 0.152 0.000 0.916 1369 R CB 1.829 32.182 30.300 0.090 0.000 1.228 1369 R HN 0.688 nan 8.270 nan 0.000 0.469 1370 Y N 1.446 121.721 120.300 -0.041 0.000 2.364 1370 Y HA 0.442 4.991 4.550 -0.000 0.000 0.340 1370 Y C -0.667 175.160 175.900 -0.121 0.000 0.975 1370 Y CA -0.772 57.194 58.100 -0.224 0.000 1.089 1370 Y CB 1.472 39.809 38.460 -0.206 0.000 1.192 1370 Y HN 0.433 nan 8.280 nan 0.000 0.454 1371 R N 4.720 124.750 120.500 -0.784 0.000 2.419 1371 R HA 0.522 4.861 4.340 -0.000 0.000 0.305 1371 R C -0.343 175.586 176.300 -0.619 0.000 1.242 1371 R CA 0.012 55.803 56.100 -0.514 0.000 1.105 1371 R CB -0.035 30.035 30.300 -0.384 0.000 1.116 1371 R HN 0.899 nan 8.270 nan 0.000 0.523 1372 G N 0.556 109.208 108.800 -0.246 0.000 2.495 1372 G HA2 0.034 3.994 3.960 -0.000 0.000 0.294 1372 G HA3 0.034 3.994 3.960 -0.000 0.000 0.294 1372 G C -0.833 173.913 174.900 -0.257 0.000 1.397 1372 G CA -0.604 44.434 45.100 -0.104 0.000 0.790 1372 G HN 0.271 nan 8.290 nan 0.000 0.486 1373 D N 0.031 120.270 120.400 -0.268 0.000 2.349 1373 D HA 0.183 4.823 4.640 -0.000 0.000 0.214 1373 D C 0.265 176.258 176.300 -0.512 0.000 1.063 1373 D CA 0.671 54.403 54.000 -0.448 0.000 0.847 1373 D CB 0.635 41.330 40.800 -0.174 0.000 0.933 1373 D HN 0.192 nan 8.370 nan 0.000 0.513 1374 Q N 0.726 120.335 119.800 -0.319 0.000 2.323 1374 Q HA 0.219 4.559 4.340 -0.000 0.000 0.271 1374 Q C -0.952 175.080 176.000 0.053 0.000 1.048 1374 Q CA -0.625 55.130 55.803 -0.081 0.000 0.792 1374 Q CB 1.988 30.707 28.738 -0.032 0.000 1.280 1374 Q HN -0.076 nan 8.270 nan 0.000 0.441 1375 D N 2.014 122.536 120.400 0.203 0.000 2.402 1375 D HA 0.144 4.784 4.640 -0.000 0.000 0.268 1375 D C 0.210 176.454 176.300 -0.095 0.000 1.294 1375 D CA 0.387 54.464 54.000 0.129 0.000 0.945 1375 D CB 0.321 41.179 40.800 0.096 0.000 1.112 1375 D HN 0.540 nan 8.370 nan 0.000 0.517 1376 A N 3.176 125.778 122.820 -0.364 0.000 2.587 1376 A HA 0.186 4.506 4.320 -0.000 0.000 0.233 1376 A C 1.470 178.970 177.584 -0.139 0.000 1.049 1376 A CA 0.287 51.993 52.037 -0.551 0.000 0.754 1376 A CB 0.008 18.461 19.000 -0.912 0.000 0.977 1376 A HN 0.628 nan 8.150 nan 0.000 0.509 1377 T N 1.394 115.943 114.554 -0.008 0.000 5.193 1377 T HA 0.302 4.652 4.350 -0.000 0.000 0.380 1377 T C 0.765 175.549 174.700 0.140 0.000 1.047 1377 T CA 0.182 62.352 62.100 0.116 0.000 0.901 1377 T CB -0.178 68.852 68.868 0.270 0.000 1.613 1377 T HN 0.524 nan 8.240 nan 0.000 0.435 1378 M N 1.801 121.531 119.600 0.217 0.000 2.227 1378 M HA 0.344 4.824 4.480 -0.000 0.000 0.349 1378 M C -0.315 176.104 176.300 0.198 0.000 1.443 1378 M CA -0.093 55.304 55.300 0.163 0.000 1.110 1378 M CB 0.565 33.197 32.600 0.053 0.000 1.773 1378 M HN 0.484 nan 8.290 nan 0.000 0.463 1379 S N 2.897 118.658 115.700 0.100 0.000 2.689 1379 S HA 0.812 5.282 4.470 -0.000 0.000 0.306 1379 S C -0.644 173.881 174.600 -0.125 0.000 1.104 1379 S CA -0.753 57.443 58.200 -0.007 0.000 0.973 1379 S CB 1.656 64.877 63.200 0.037 0.000 1.121 1379 S HN 0.470 nan 8.310 nan 0.000 0.523 1380 I N 1.081 121.405 120.570 -0.410 0.000 2.569 1380 I HA 0.433 4.602 4.170 -0.000 0.000 0.296 1380 I C -1.012 174.825 176.117 -0.467 0.000 1.028 1380 I CA -0.194 60.799 61.300 -0.512 0.000 1.082 1380 I CB 1.456 38.978 38.000 -0.797 0.000 1.264 1380 I HN 0.394 nan 8.210 nan 0.000 0.429 1381 L N 4.794 125.811 121.223 -0.343 0.000 2.356 1381 L HA 0.360 4.700 4.340 -0.000 0.000 0.264 1381 L C -0.704 176.054 176.870 -0.188 0.000 1.029 1381 L CA -0.408 54.297 54.840 -0.224 0.000 0.897 1381 L CB 0.703 42.672 42.059 -0.150 0.000 1.256 1381 L HN 0.503 nan 8.230 nan 0.000 0.444 1382 D N 4.441 124.768 120.400 -0.121 0.000 2.422 1382 D HA 0.316 4.956 4.640 -0.000 0.000 0.227 1382 D C -0.245 176.040 176.300 -0.025 0.000 1.190 1382 D CA 0.002 53.969 54.000 -0.055 0.000 0.905 1382 D CB 0.446 41.268 40.800 0.036 0.000 1.034 1382 D HN 0.250 nan 8.370 nan 0.000 0.507 1383 I N 1.955 122.517 120.570 -0.013 0.000 2.437 1383 I HA 0.261 4.431 4.170 -0.000 0.000 0.298 1383 I C 0.221 176.382 176.117 0.073 0.000 0.984 1383 I CA -0.850 60.483 61.300 0.054 0.000 1.214 1383 I CB 1.773 39.836 38.000 0.105 0.000 1.365 1383 I HN 0.285 nan 8.210 nan 0.000 0.469 1384 S N 6.530 122.300 115.700 0.117 0.000 2.640 1384 S HA 0.545 5.015 4.470 -0.000 0.000 0.320 1384 S C -0.338 174.365 174.600 0.171 0.000 1.097 1384 S CA -1.021 57.240 58.200 0.102 0.000 1.092 1384 S CB 1.177 64.407 63.200 0.051 0.000 0.988 1384 S HN 0.385 nan 8.310 nan 0.000 0.470 1385 M N 2.993 122.705 119.600 0.187 0.000 2.232 1385 M HA 0.243 4.723 4.480 -0.000 0.000 0.321 1385 M C 0.441 176.849 176.300 0.180 0.000 1.101 1385 M CA 0.464 55.916 55.300 0.255 0.000 1.181 1385 M CB -0.174 32.591 32.600 0.276 0.000 1.432 1385 M HN 0.687 nan 8.290 nan 0.000 0.457 1386 M N 0.588 120.298 119.600 0.182 0.000 2.233 1386 M HA 0.078 4.558 4.480 -0.000 0.000 0.350 1386 M C 0.686 177.170 176.300 0.306 0.000 1.176 1386 M CA -0.038 55.341 55.300 0.131 0.000 1.150 1386 M CB 0.428 33.000 32.600 -0.046 0.000 1.530 1386 M HN 0.632 nan 8.290 nan 0.000 0.459 1387 T N 1.992 116.670 114.554 0.206 0.000 2.738 1387 T HA 0.244 4.593 4.350 -0.000 0.000 0.277 1387 T C 1.049 175.837 174.700 0.147 0.000 0.981 1387 T CA 1.534 63.724 62.100 0.150 0.000 1.211 1387 T CB -0.535 68.384 68.868 0.085 0.000 0.932 1387 T HN 0.964 nan 8.240 nan 0.000 0.522 1388 G N 3.831 112.614 108.800 -0.027 0.000 2.163 1388 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.213 1388 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.213 1388 G C -0.165 174.322 174.900 -0.688 0.000 0.991 1388 G CA -0.323 44.497 45.100 -0.466 0.000 0.653 1388 G HN 0.661 nan 8.290 nan 0.000 0.518 1389 F N 0.662 120.630 119.950 0.031 0.000 2.563 1389 F HA 0.820 5.347 4.527 -0.000 0.000 0.316 1389 F C 0.318 176.403 175.800 0.475 0.000 1.076 1389 F CA -0.300 57.848 58.000 0.246 0.000 0.921 1389 F CB 2.533 41.636 39.000 0.172 0.000 1.209 1389 F HN 0.449 nan 8.300 nan 0.000 0.462 1390 A N 3.021 126.247 122.820 0.677 0.000 2.455 1390 A HA 0.818 5.138 4.320 -0.000 0.000 0.300 1390 A C -3.046 174.733 177.584 0.326 0.000 1.040 1390 A CA -1.972 50.315 52.037 0.417 0.000 0.697 1390 A CB 1.546 20.703 19.000 0.262 0.000 1.265 1390 A HN 0.381 nan 8.150 nan 0.000 0.407 1391 P HA 0.115 nan 4.420 nan 0.000 0.267 1391 P C -0.756 176.609 177.300 0.108 0.000 1.200 1391 P CA 0.187 63.413 63.100 0.210 0.000 0.772 1391 P CB 0.484 32.189 31.700 0.007 0.000 0.855 1392 D N 1.069 121.621 120.400 0.254 0.000 2.339 1392 D HA 0.002 4.642 4.640 -0.000 0.000 0.256 1392 D C 1.242 177.584 176.300 0.071 0.000 1.214 1392 D CA 0.226 54.397 54.000 0.284 0.000 0.877 1392 D CB 0.458 41.475 40.800 0.362 0.000 1.111 1392 D HN 0.335 nan 8.370 nan 0.000 0.478 1393 T N 1.068 115.608 114.554 -0.023 0.000 2.665 1393 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 1393 T C 1.230 175.914 174.700 -0.026 0.000 1.035 1393 T CA 1.299 63.348 62.100 -0.085 0.000 1.151 1393 T CB -0.173 68.637 68.868 -0.096 0.000 0.862 1393 T HN 0.302 nan 8.240 nan 0.000 0.438 1394 D N 1.836 122.258 120.400 0.036 0.000 2.123 1394 D HA -0.083 4.556 4.640 -0.000 0.000 0.196 1394 D C 1.933 178.250 176.300 0.029 0.000 0.992 1394 D CA 1.434 55.456 54.000 0.037 0.000 0.833 1394 D CB -0.589 40.252 40.800 0.068 0.000 0.954 1394 D HN 0.454 nan 8.370 nan 0.000 0.455 1395 D N -0.155 120.277 120.400 0.053 0.000 2.219 1395 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 1395 D C 2.254 178.546 176.300 -0.014 0.000 0.970 1395 D CA 0.220 54.252 54.000 0.053 0.000 0.851 1395 D CB -0.210 40.667 40.800 0.130 0.000 0.943 1395 D HN 0.237 nan 8.370 nan 0.000 0.488 1396 L N 0.120 121.296 121.223 -0.078 0.000 2.093 1396 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 1396 L C 2.110 178.912 176.870 -0.112 0.000 1.085 1396 L CA 0.917 55.659 54.840 -0.163 0.000 0.755 1396 L CB -0.213 41.715 42.059 -0.218 0.000 0.904 1396 L HN -0.109 nan 8.230 nan 0.000 0.435 1397 K N -0.060 120.296 120.400 -0.073 0.000 2.147 1397 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 1397 K C 2.066 178.647 176.600 -0.032 0.000 1.049 1397 K CA 0.980 57.236 56.287 -0.052 0.000 0.936 1397 K CB -0.249 32.231 32.500 -0.034 0.000 0.722 1397 K HN 0.089 nan 8.250 nan 0.000 0.446 1398 Q N 0.448 120.236 119.800 -0.020 0.000 2.079 1398 Q HA 0.008 4.348 4.340 -0.000 0.000 0.200 1398 Q C 1.632 177.627 176.000 -0.007 0.000 0.974 1398 Q CA 1.446 57.246 55.803 -0.004 0.000 0.840 1398 Q CB -0.060 28.685 28.738 0.011 0.000 0.898 1398 Q HN 0.316 nan 8.270 nan 0.000 0.430 1399 L N -0.496 120.713 121.223 -0.022 0.000 2.240 1399 L HA 0.061 4.400 4.340 -0.000 0.000 0.211 1399 L C 2.285 179.138 176.870 -0.028 0.000 1.106 1399 L CA 0.663 55.490 54.840 -0.023 0.000 0.793 1399 L CB -0.594 41.438 42.059 -0.045 0.000 0.927 1399 L HN 0.263 nan 8.230 nan 0.000 0.446 1400 A N 0.584 123.375 122.820 -0.049 0.000 1.873 1400 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 1400 A C 1.918 179.505 177.584 0.005 0.000 1.186 1400 A CA 1.614 53.623 52.037 -0.046 0.000 0.616 1400 A CB -0.434 18.515 19.000 -0.085 0.000 0.823 1400 A HN 0.388 nan 8.150 nan 0.000 0.442 1401 N N 0.529 119.231 118.700 0.003 0.000 2.512 1401 N HA 0.046 4.785 4.740 -0.000 0.000 0.183 1401 N C 1.033 176.557 175.510 0.023 0.000 1.073 1401 N CA 0.721 53.782 53.050 0.018 0.000 0.911 1401 N CB -0.512 37.980 38.487 0.009 0.000 0.964 1401 N HN 0.445 nan 8.380 nan 0.000 0.447 1402 G N 0.259 109.072 108.800 0.020 0.000 2.664 1402 G HA2 0.213 4.173 3.960 -0.000 0.000 0.242 1402 G HA3 0.213 4.173 3.960 -0.000 0.000 0.242 1402 G C -0.088 174.831 174.900 0.031 0.000 1.225 1402 G CA -0.379 44.735 45.100 0.022 0.000 0.849 1402 G HN 0.090 nan 8.290 nan 0.000 0.581 1403 V N 0.960 120.889 119.914 0.026 0.000 2.686 1403 V HA 0.281 4.401 4.120 -0.000 0.000 0.295 1403 V C 0.506 176.619 176.094 0.032 0.000 1.055 1403 V CA 0.448 62.763 62.300 0.026 0.000 1.050 1403 V CB 0.897 32.730 31.823 0.017 0.000 0.984 1403 V HN 0.947 nan 8.190 nan 0.000 0.482 1404 D N 3.078 123.498 120.400 0.033 0.000 3.059 1404 D HA -0.156 4.484 4.640 -0.000 0.000 0.220 1404 D C 0.104 176.441 176.300 0.061 0.000 1.169 1404 D CA 1.232 55.255 54.000 0.039 0.000 0.902 1404 D CB -0.840 39.979 40.800 0.031 0.000 1.116 1404 D HN 0.774 nan 8.370 nan 0.000 0.417 1405 R N -0.466 120.080 120.500 0.077 0.000 2.673 1405 R HA 0.628 4.968 4.340 -0.000 0.000 0.281 1405 R C -1.158 175.245 176.300 0.171 0.000 0.991 1405 R CA -0.851 55.309 56.100 0.100 0.000 0.896 1405 R CB 2.452 32.784 30.300 0.053 0.000 1.201 1405 R HN 0.099 nan 8.270 nan 0.000 0.457 1406 Y N 2.807 123.134 120.300 0.046 0.000 2.482 1406 Y HA 0.539 5.089 4.550 -0.000 0.000 0.334 1406 Y C -1.791 174.179 175.900 0.117 0.000 1.091 1406 Y CA -0.784 57.349 58.100 0.055 0.000 1.027 1406 Y CB 1.495 39.974 38.460 0.031 0.000 1.306 1406 Y HN 0.513 nan 8.280 nan 0.000 0.446 1407 I N 5.401 125.543 120.570 -0.714 0.000 2.466 1407 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 1407 I C -0.304 175.332 176.117 -0.801 0.000 1.026 1407 I CA -1.143 59.817 61.300 -0.567 0.000 1.078 1407 I CB 2.190 40.008 38.000 -0.303 0.000 1.249 1407 I HN 0.763 nan 8.210 nan 0.000 0.429 1408 S N 4.749 120.163 115.700 -0.476 0.000 2.563 1408 S HA -0.042 4.428 4.470 -0.000 0.000 0.294 1408 S C 1.096 175.632 174.600 -0.107 0.000 1.279 1408 S CA -0.264 57.817 58.200 -0.198 0.000 1.069 1408 S CB 0.956 64.226 63.200 0.116 0.000 0.828 1408 S HN 0.864 nan 8.310 nan 0.000 0.497 1409 K N 2.157 122.541 120.400 -0.026 0.000 2.152 1409 K HA -0.238 4.081 4.320 -0.000 0.000 0.206 1409 K C 1.648 178.262 176.600 0.024 0.000 1.048 1409 K CA 1.619 57.904 56.287 -0.002 0.000 0.933 1409 K CB -0.363 32.164 32.500 0.045 0.000 0.721 1409 K HN 0.870 nan 8.250 nan 0.000 0.447 1410 Y N 1.219 121.497 120.300 -0.036 0.000 2.483 1410 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 1410 Y C 1.883 177.749 175.900 -0.057 0.000 1.143 1410 Y CA 1.691 59.771 58.100 -0.033 0.000 1.289 1410 Y CB 0.118 38.573 38.460 -0.009 0.000 0.983 1410 Y HN 0.218 nan 8.280 nan 0.000 0.556 1411 E N -0.584 119.585 120.200 -0.052 0.000 2.216 1411 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 1411 E C 1.702 178.187 176.600 -0.192 0.000 0.973 1411 E CA 0.651 56.970 56.400 -0.135 0.000 0.851 1411 E CB -0.266 29.391 29.700 -0.072 0.000 0.804 1411 E HN 0.393 nan 8.360 nan 0.000 0.477 1412 L N 1.508 122.631 121.223 -0.166 0.000 2.017 1412 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 1412 L C 0.563 177.328 176.870 -0.175 0.000 1.073 1412 L CA 1.639 56.379 54.840 -0.166 0.000 0.745 1412 L CB -0.783 41.198 42.059 -0.130 0.000 0.894 1412 L HN 0.215 nan 8.230 nan 0.000 0.432 1413 D N -0.590 119.704 120.400 -0.177 0.000 2.558 1413 D HA 0.084 4.724 4.640 -0.000 0.000 0.221 1413 D C 0.540 176.704 176.300 -0.227 0.000 1.143 1413 D CA 0.076 53.972 54.000 -0.172 0.000 1.010 1413 D CB 0.106 40.825 40.800 -0.134 0.000 1.068 1413 D HN 0.254 nan 8.370 nan 0.000 0.511 1414 K N 0.442 120.707 120.400 -0.225 0.000 2.562 1414 K HA 0.429 4.748 4.320 -0.000 0.000 0.218 1414 K C 0.596 177.075 176.600 -0.202 0.000 1.374 1414 K CA 0.095 56.241 56.287 -0.235 0.000 0.996 1414 K CB 0.967 33.307 32.500 -0.265 0.000 1.127 1414 K HN 0.358 nan 8.250 nan 0.000 0.603 1415 A N 1.063 123.761 122.820 -0.203 0.000 6.204 1415 A HA -0.272 4.048 4.320 -0.000 0.000 0.272 1415 A C 0.280 177.694 177.584 -0.283 0.000 2.040 1415 A CA 1.050 52.981 52.037 -0.177 0.000 0.717 1415 A CB -1.432 17.535 19.000 -0.054 0.000 1.126 1415 A HN 0.265 nan 8.150 nan 0.000 0.378 1416 F N 0.742 120.579 119.950 -0.187 0.000 2.725 1416 F HA 0.196 4.723 4.527 -0.000 0.000 0.303 1416 F C 2.236 177.777 175.800 -0.432 0.000 1.167 1416 F CA 1.173 58.986 58.000 -0.311 0.000 1.403 1416 F CB -0.034 38.805 39.000 -0.269 0.000 1.077 1416 F HN 0.618 nan 8.300 nan 0.000 0.537 1417 S N 0.138 115.737 115.700 -0.168 0.000 2.380 1417 S HA -0.121 4.349 4.470 -0.000 0.000 0.213 1417 S C 0.664 175.134 174.600 -0.216 0.000 1.037 1417 S CA 1.425 59.523 58.200 -0.170 0.000 1.034 1417 S CB -0.052 63.074 63.200 -0.124 0.000 1.022 1417 S HN 0.203 nan 8.310 nan 0.000 0.418 1418 D N 0.331 120.618 120.400 -0.187 0.000 2.621 1418 D HA 0.254 4.894 4.640 -0.000 0.000 0.274 1418 D C -0.657 175.559 176.300 -0.139 0.000 1.215 1418 D CA -0.108 53.804 54.000 -0.146 0.000 0.810 1418 D CB 0.536 41.273 40.800 -0.105 0.000 1.248 1418 D HN 0.245 nan 8.370 nan 0.000 0.517 1419 R N 1.887 122.294 120.500 -0.154 0.000 3.130 1419 R HA 0.070 4.410 4.340 -0.000 0.000 0.348 1419 R C 0.646 176.922 176.300 -0.039 0.000 1.241 1419 R CA -0.218 55.805 56.100 -0.129 0.000 1.141 1419 R CB -0.092 30.087 30.300 -0.203 0.000 1.453 1419 R HN 0.028 nan 8.270 nan 0.000 0.590 1420 N N -0.573 118.129 118.700 0.003 0.000 2.461 1420 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 1420 N C -0.361 175.176 175.510 0.045 0.000 1.134 1420 N CA 0.274 53.366 53.050 0.069 0.000 0.878 1420 N CB 0.451 38.983 38.487 0.075 0.000 0.972 1420 N HN 0.174 nan 8.380 nan 0.000 0.456 1421 T N -1.819 112.737 114.554 0.003 0.000 2.890 1421 T HA 0.564 4.914 4.350 -0.000 0.000 0.295 1421 T C -0.975 173.704 174.700 -0.035 0.000 0.993 1421 T CA -0.987 61.110 62.100 -0.005 0.000 0.979 1421 T CB 1.450 70.309 68.868 -0.014 0.000 0.967 1421 T HN 0.059 nan 8.240 nan 0.000 0.441 1422 L N 3.677 124.877 121.223 -0.040 0.000 2.362 1422 L HA 0.793 5.133 4.340 -0.000 0.000 0.271 1422 L C -1.437 175.358 176.870 -0.126 0.000 1.002 1422 L CA -1.257 53.523 54.840 -0.100 0.000 0.818 1422 L CB 1.614 43.589 42.059 -0.140 0.000 1.298 1422 L HN 0.830 nan 8.230 nan 0.000 0.420 1423 I N 6.277 126.737 120.570 -0.183 0.000 2.439 1423 I HA 0.388 4.558 4.170 -0.000 0.000 0.283 1423 I C -0.827 175.057 176.117 -0.389 0.000 1.023 1423 I CA -0.325 60.795 61.300 -0.298 0.000 1.100 1423 I CB 1.580 39.370 38.000 -0.351 0.000 1.238 1423 I HN 0.471 nan 8.210 nan 0.000 0.445 1424 I N 6.667 127.029 120.570 -0.347 0.000 2.330 1424 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 1424 I C -0.690 175.289 176.117 -0.231 0.000 1.025 1424 I CA -0.661 60.490 61.300 -0.250 0.000 1.197 1424 I CB 0.471 38.374 38.000 -0.163 0.000 1.358 1424 I HN 0.388 nan 8.210 nan 0.000 0.467 1425 Y N 6.476 126.767 120.300 -0.015 0.000 2.465 1425 Y HA 0.290 4.839 4.550 -0.000 0.000 0.331 1425 Y C 0.295 176.217 175.900 0.036 0.000 1.102 1425 Y CA -0.025 58.094 58.100 0.032 0.000 1.358 1425 Y CB 0.407 38.959 38.460 0.154 0.000 1.213 1425 Y HN 0.365 nan 8.280 nan 0.000 0.525 1426 L N 3.445 124.749 121.223 0.135 0.000 2.331 1426 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 1426 L C 0.200 177.124 176.870 0.090 0.000 1.022 1426 L CA -0.703 54.192 54.840 0.092 0.000 0.812 1426 L CB 1.590 43.679 42.059 0.050 0.000 1.257 1426 L HN 0.602 nan 8.230 nan 0.000 0.435 1427 D N 0.885 121.326 120.400 0.067 0.000 2.216 1427 D HA 0.020 4.660 4.640 -0.000 0.000 0.208 1427 D C 0.063 176.389 176.300 0.043 0.000 0.960 1427 D CA 1.058 55.082 54.000 0.041 0.000 0.861 1427 D CB 0.398 41.212 40.800 0.022 0.000 0.985 1427 D HN 0.504 nan 8.370 nan 0.000 0.493 1428 K N -0.914 119.514 120.400 0.046 0.000 2.610 1428 K HA 0.497 4.817 4.320 -0.000 0.000 0.278 1428 K C -1.465 175.164 176.600 0.048 0.000 0.964 1428 K CA -0.992 55.319 56.287 0.040 0.000 0.859 1428 K CB 2.120 34.635 32.500 0.026 0.000 1.434 1428 K HN -0.165 nan 8.250 nan 0.000 0.410 1429 V N -1.400 118.541 119.914 0.046 0.000 2.488 1429 V HA 0.460 4.580 4.120 -0.000 0.000 0.293 1429 V C 0.020 176.155 176.094 0.067 0.000 1.027 1429 V CA -0.723 61.622 62.300 0.075 0.000 0.862 1429 V CB 1.098 33.010 31.823 0.148 0.000 1.008 1429 V HN 0.888 nan 8.190 nan 0.000 0.428 1430 S N 3.215 118.943 115.700 0.047 0.000 2.558 1430 S HA 0.070 4.540 4.470 -0.000 0.000 0.287 1430 S C 1.197 175.837 174.600 0.066 0.000 1.321 1430 S CA 0.571 58.777 58.200 0.010 0.000 1.048 1430 S CB 0.135 63.302 63.200 -0.055 0.000 0.844 1430 S HN 1.183 nan 8.310 nan 0.000 0.512 1431 H N 2.202 121.324 119.070 0.087 0.000 2.551 1431 H HA 0.299 4.854 4.556 -0.000 0.000 0.271 1431 H C 1.199 176.565 175.328 0.063 0.000 0.984 1431 H CA 0.300 56.419 56.048 0.117 0.000 1.164 1431 H CB -0.174 29.689 29.762 0.168 0.000 1.437 1431 H HN 0.438 nan 8.280 nan 0.000 0.550 1432 S N 0.675 116.206 115.700 -0.282 0.000 2.297 1432 S HA 0.030 4.500 4.470 -0.000 0.000 0.200 1432 S C 0.848 175.418 174.600 -0.050 0.000 1.011 1432 S CA 0.136 58.234 58.200 -0.169 0.000 0.938 1432 S CB 0.424 63.489 63.200 -0.225 0.000 0.924 1432 S HN 0.465 nan 8.310 nan 0.000 0.504 1433 E N 0.922 121.093 120.200 -0.048 0.000 3.099 1433 E HA 0.304 4.654 4.350 -0.000 0.000 0.259 1433 E C -1.255 175.351 176.600 0.011 0.000 1.274 1433 E CA -0.581 55.812 56.400 -0.012 0.000 1.111 1433 E CB 0.280 29.972 29.700 -0.014 0.000 1.327 1433 E HN 0.148 nan 8.360 nan 0.000 0.652 1434 D N 1.051 121.462 120.400 0.018 0.000 2.303 1434 D HA 0.208 4.848 4.640 -0.000 0.000 0.236 1434 D C -1.280 175.038 176.300 0.031 0.000 1.068 1434 D CA -0.382 53.639 54.000 0.035 0.000 0.830 1434 D CB 0.983 41.803 40.800 0.033 0.000 1.109 1434 D HN 0.117 nan 8.370 nan 0.000 0.496 1435 D N 1.720 122.146 120.400 0.044 0.000 2.470 1435 D HA 0.103 4.742 4.640 -0.000 0.000 0.226 1435 D C -0.204 176.118 176.300 0.037 0.000 1.196 1435 D CA -0.117 53.907 54.000 0.039 0.000 0.979 1435 D CB -0.125 40.705 40.800 0.049 0.000 1.059 1435 D HN 0.197 nan 8.370 nan 0.000 0.515 1436 c N 2.987 121.601 118.600 0.024 0.000 2.350 1436 c HA 0.678 5.247 4.570 -0.000 0.000 0.348 1436 c C 0.251 174.351 174.090 0.016 0.000 1.260 1436 c CA -0.844 55.495 56.329 0.016 0.000 1.966 1436 c CB -0.651 41.862 42.510 0.004 0.000 2.380 1436 c HN 0.490 nan 8.230 nan 0.000 0.535 1437 L N 1.674 122.908 121.223 0.019 0.000 2.277 1437 L HA 1.120 5.460 4.340 -0.000 0.000 0.254 1437 L C -0.300 176.583 176.870 0.021 0.000 1.044 1437 L CA -0.952 53.910 54.840 0.036 0.000 0.842 1437 L CB 0.870 42.968 42.059 0.065 0.000 1.422 1437 L HN 0.788 nan 8.230 nan 0.000 0.422 1438 A N 0.180 123.034 122.820 0.056 0.000 2.608 1438 A HA 0.901 5.221 4.320 -0.000 0.000 0.292 1438 A C -1.654 175.998 177.584 0.114 0.000 1.066 1438 A CA -0.351 51.671 52.037 -0.026 0.000 0.676 1438 A CB 1.359 20.304 19.000 -0.090 0.000 1.277 1438 A HN 1.508 nan 8.150 nan 0.000 0.413 1439 F N -0.991 118.916 119.950 -0.071 0.000 2.665 1439 F HA 0.690 5.217 4.527 -0.000 0.000 0.308 1439 F C -0.548 175.211 175.800 -0.067 0.000 1.112 1439 F CA -1.044 56.922 58.000 -0.056 0.000 0.972 1439 F CB 0.950 39.919 39.000 -0.051 0.000 1.295 1439 F HN 0.539 nan 8.300 nan 0.000 0.440 1440 K N 1.635 122.088 120.400 0.088 0.000 2.319 1440 K HA 0.581 4.901 4.320 -0.000 0.000 0.265 1440 K C -0.785 175.834 176.600 0.032 0.000 1.000 1440 K CA -0.556 55.706 56.287 -0.041 0.000 0.943 1440 K CB 1.419 33.877 32.500 -0.071 0.000 0.950 1440 K HN 0.681 nan 8.250 nan 0.000 0.485 1441 V N -0.340 119.530 119.914 -0.073 0.000 2.445 1441 V HA 0.263 4.383 4.120 -0.000 0.000 0.283 1441 V C -0.447 175.755 176.094 0.181 0.000 1.014 1441 V CA -1.033 61.340 62.300 0.123 0.000 0.852 1441 V CB 0.843 32.733 31.823 0.113 0.000 1.021 1441 V HN 0.666 nan 8.190 nan 0.000 0.435 1442 H N 2.993 122.302 119.070 0.399 0.000 2.546 1442 H HA 0.394 4.950 4.556 -0.000 0.000 0.365 1442 H C -0.435 175.070 175.328 0.294 0.000 1.220 1442 H CA -0.163 56.085 56.048 0.335 0.000 1.386 1442 H CB 2.009 31.950 29.762 0.298 0.000 1.510 1442 H HN 0.810 nan 8.280 nan 0.000 0.591 1443 Q N 2.267 122.144 119.800 0.128 0.000 2.466 1443 Q HA 0.070 4.409 4.340 -0.000 0.000 0.242 1443 Q C -0.055 175.831 176.000 -0.189 0.000 1.046 1443 Q CA -0.664 54.914 55.803 -0.375 0.000 0.841 1443 Q CB 0.238 28.556 28.738 -0.701 0.000 1.193 1443 Q HN 0.690 nan 8.270 nan 0.000 0.508 1444 Y N 3.059 123.313 120.300 -0.076 0.000 2.420 1444 Y HA 0.236 4.786 4.550 -0.000 0.000 0.292 1444 Y C -0.395 175.507 175.900 0.004 0.000 1.119 1444 Y CA -0.220 57.850 58.100 -0.049 0.000 1.229 1444 Y CB 0.247 38.741 38.460 0.057 0.000 1.026 1444 Y HN 0.396 nan 8.280 nan 0.000 0.554 1445 F N 2.312 121.779 119.950 -0.805 0.000 2.529 1445 F HA 0.451 4.978 4.527 -0.000 0.000 0.320 1445 F C -0.953 174.571 175.800 -0.460 0.000 1.118 1445 F CA -1.488 56.192 58.000 -0.532 0.000 0.915 1445 F CB 1.090 39.757 39.000 -0.556 0.000 1.161 1445 F HN -0.089 nan 8.300 nan 0.000 0.445 1446 N N 4.918 123.162 118.700 -0.761 0.000 2.419 1446 N HA 0.579 5.319 4.740 -0.000 0.000 0.277 1446 N C -1.904 173.349 175.510 -0.428 0.000 1.006 1446 N CA -0.066 52.692 53.050 -0.486 0.000 0.923 1446 N CB 1.899 40.158 38.487 -0.381 0.000 1.140 1446 N HN 0.616 nan 8.380 nan 0.000 0.488 1447 V N 3.075 122.906 119.914 -0.139 0.000 2.924 1447 V HA 0.272 4.392 4.120 -0.000 0.000 0.300 1447 V C -0.782 175.327 176.094 0.024 0.000 1.227 1447 V CA -0.866 61.428 62.300 -0.010 0.000 0.954 1447 V CB 1.806 33.736 31.823 0.179 0.000 1.055 1447 V HN 0.816 nan 8.190 nan 0.000 0.429 1448 E N 6.589 126.803 120.200 0.023 0.000 2.404 1448 E HA 0.458 4.808 4.350 -0.000 0.000 0.261 1448 E C -0.316 176.328 176.600 0.073 0.000 1.074 1448 E CA -0.310 56.112 56.400 0.037 0.000 0.917 1448 E CB 0.596 30.308 29.700 0.021 0.000 0.965 1448 E HN 0.848 nan 8.360 nan 0.000 0.433 1449 L N 1.176 122.450 121.223 0.086 0.000 3.546 1449 L HA -0.249 4.091 4.340 -0.000 0.000 0.668 1449 L C -0.248 176.714 176.870 0.153 0.000 1.139 1449 L CA 0.033 54.942 54.840 0.115 0.000 1.122 1449 L CB -1.890 40.228 42.059 0.098 0.000 1.545 1449 L HN 0.604 nan 8.230 nan 0.000 0.851 1450 I N -1.359 119.317 120.570 0.177 0.000 2.764 1450 I HA 0.472 4.642 4.170 -0.000 0.000 0.294 1450 I C 0.498 176.739 176.117 0.207 0.000 1.045 1450 I CA -0.100 61.312 61.300 0.188 0.000 1.340 1450 I CB 0.823 38.939 38.000 0.194 0.000 1.436 1450 I HN 0.401 nan 8.210 nan 0.000 0.567 1451 Q N 4.493 124.402 119.800 0.180 0.000 2.256 1451 Q HA 0.481 4.821 4.340 -0.000 0.000 0.254 1451 Q C -2.416 173.634 176.000 0.084 0.000 0.916 1451 Q CA -1.968 53.921 55.803 0.143 0.000 0.932 1451 Q CB 1.149 29.988 28.738 0.168 0.000 1.207 1451 Q HN 0.499 nan 8.270 nan 0.000 0.426 1452 P HA 0.025 nan 4.420 nan 0.000 0.267 1452 P C -0.448 176.756 177.300 -0.158 0.000 1.200 1452 P CA 0.079 63.177 63.100 -0.003 0.000 0.772 1452 P CB 0.684 32.400 31.700 0.027 0.000 0.855 1453 G N 0.789 109.213 108.800 -0.626 0.000 2.557 1453 G HA2 0.635 4.594 3.960 -0.000 0.000 0.292 1453 G HA3 0.635 4.594 3.960 -0.000 0.000 0.292 1453 G C -1.218 173.473 174.900 -0.348 0.000 1.237 1453 G CA -0.379 44.307 45.100 -0.690 0.000 0.978 1453 G HN 0.652 nan 8.290 nan 0.000 0.498 1454 A N -1.397 121.375 122.820 -0.080 0.000 2.566 1454 A HA 0.647 4.967 4.320 -0.000 0.000 0.297 1454 A C -1.359 176.204 177.584 -0.034 0.000 1.059 1454 A CA -0.404 51.522 52.037 -0.185 0.000 0.691 1454 A CB 1.800 20.525 19.000 -0.458 0.000 1.282 1454 A HN 1.183 nan 8.150 nan 0.000 0.401 1455 V N 1.723 121.580 119.914 -0.096 0.000 2.588 1455 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 1455 V C -0.130 175.899 176.094 -0.108 0.000 1.042 1455 V CA -0.614 61.655 62.300 -0.051 0.000 0.877 1455 V CB 1.850 33.665 31.823 -0.013 0.000 0.996 1455 V HN 0.926 nan 8.190 nan 0.000 0.425 1456 K N 3.341 123.697 120.400 -0.074 0.000 2.378 1456 K HA 0.833 5.153 4.320 -0.000 0.000 0.252 1456 K C -1.306 175.252 176.600 -0.070 0.000 0.931 1456 K CA -0.583 55.672 56.287 -0.053 0.000 0.794 1456 K CB 2.287 34.794 32.500 0.010 0.000 1.181 1456 K HN 0.643 nan 8.250 nan 0.000 0.425 1457 V N 1.282 121.101 119.914 -0.159 0.000 2.735 1457 V HA 0.819 4.939 4.120 -0.000 0.000 0.310 1457 V C -1.380 174.396 176.094 -0.530 0.000 1.061 1457 V CA -0.578 61.472 62.300 -0.417 0.000 0.913 1457 V CB 0.816 32.302 31.823 -0.562 0.000 1.005 1457 V HN 0.908 nan 8.190 nan 0.000 0.428 1458 Y N 1.489 121.443 120.300 -0.576 0.000 2.774 1458 Y HA 0.898 5.448 4.550 -0.000 0.000 0.346 1458 Y C -0.293 175.530 175.900 -0.128 0.000 1.222 1458 Y CA -0.872 56.995 58.100 -0.388 0.000 1.088 1458 Y CB 0.543 38.872 38.460 -0.218 0.000 1.354 1458 Y HN 1.102 nan 8.280 nan 0.000 0.455 1459 A N 0.916 123.774 122.820 0.063 0.000 2.272 1459 A HA 0.431 4.751 4.320 -0.000 0.000 0.275 1459 A C 0.143 177.682 177.584 -0.076 0.000 1.096 1459 A CA -0.082 51.873 52.037 -0.137 0.000 0.822 1459 A CB -0.231 18.362 19.000 -0.678 0.000 1.088 1459 A HN 1.317 nan 8.150 nan 0.000 0.495 1460 Y N -1.031 119.237 120.300 -0.054 0.000 2.516 1460 Y HA -0.028 4.522 4.550 -0.000 0.000 0.291 1460 Y C 1.358 177.338 175.900 0.134 0.000 1.131 1460 Y CA 1.388 59.543 58.100 0.091 0.000 1.281 1460 Y CB -0.725 37.812 38.460 0.127 0.000 1.013 1460 Y HN 0.673 nan 8.280 nan 0.000 0.554 1461 Y N -0.468 119.513 120.300 -0.532 0.000 2.522 1461 Y HA 0.332 4.882 4.550 -0.000 0.000 0.277 1461 Y C 0.177 176.008 175.900 -0.115 0.000 1.104 1461 Y CA -0.707 57.152 58.100 -0.402 0.000 1.260 1461 Y CB -0.333 37.771 38.460 -0.594 0.000 1.151 1461 Y HN 0.091 nan 8.280 nan 0.000 0.539 1462 N N 1.335 119.764 118.700 -0.453 0.000 2.479 1462 N HA 0.242 4.982 4.740 -0.000 0.000 0.261 1462 N C -0.007 175.447 175.510 -0.093 0.000 0.979 1462 N CA -0.336 52.616 53.050 -0.164 0.000 0.930 1462 N CB 1.483 39.904 38.487 -0.110 0.000 1.172 1462 N HN 0.273 nan 8.380 nan 0.000 0.499 1463 L N 3.905 125.081 121.223 -0.078 0.000 2.316 1463 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 1463 L C 1.542 178.307 176.870 -0.174 0.000 1.070 1463 L CA 1.517 56.234 54.840 -0.204 0.000 0.820 1463 L CB -0.636 41.270 42.059 -0.254 0.000 0.992 1463 L HN 0.493 nan 8.230 nan 0.000 0.466 1464 E N 1.069 121.219 120.200 -0.083 0.000 2.049 1464 E HA -0.178 4.171 4.350 -0.000 0.000 0.198 1464 E C 0.574 177.166 176.600 -0.013 0.000 1.007 1464 E CA 1.567 57.940 56.400 -0.046 0.000 0.809 1464 E CB -0.387 29.303 29.700 -0.016 0.000 0.749 1464 E HN 0.591 nan 8.360 nan 0.000 0.450 1465 E N 0.948 121.165 120.200 0.028 0.000 1.944 1465 E HA 0.194 4.543 4.350 -0.000 0.000 0.272 1465 E C -0.544 176.142 176.600 0.144 0.000 1.195 1465 E CA -0.227 56.228 56.400 0.091 0.000 0.926 1465 E CB 0.226 30.000 29.700 0.123 0.000 1.051 1465 E HN 0.147 nan 8.360 nan 0.000 0.404 1466 S N 1.380 117.138 115.700 0.098 0.000 2.688 1466 S HA 0.594 5.063 4.470 -0.000 0.000 0.275 1466 S C -1.100 173.531 174.600 0.051 0.000 1.175 1466 S CA -1.013 57.219 58.200 0.053 0.000 0.818 1466 S CB 2.028 65.209 63.200 -0.032 0.000 1.157 1466 S HN 0.449 nan 8.310 nan 0.000 0.482 1467 c N 1.438 120.026 118.600 -0.020 0.000 2.608 1467 c HA 0.830 5.400 4.570 -0.000 0.000 0.325 1467 c C -0.905 173.157 174.090 -0.046 0.000 1.147 1467 c CA 0.162 56.497 56.329 0.010 0.000 1.359 1467 c CB 0.542 43.100 42.510 0.080 0.000 1.912 1467 c HN 0.957 nan 8.230 nan 0.000 0.466 1468 T N 6.460 120.983 114.554 -0.051 0.000 2.812 1468 T HA 0.622 4.972 4.350 -0.000 0.000 0.282 1468 T C -0.592 173.992 174.700 -0.194 0.000 0.990 1468 T CA -0.554 61.455 62.100 -0.152 0.000 0.960 1468 T CB 0.885 69.638 68.868 -0.192 0.000 0.948 1468 T HN 0.667 nan 8.240 nan 0.000 0.438 1469 R N 1.827 122.181 120.500 -0.243 0.000 2.778 1469 R HA 0.664 5.004 4.340 -0.000 0.000 0.277 1469 R C -1.181 174.929 176.300 -0.316 0.000 0.977 1469 R CA -0.872 55.140 56.100 -0.148 0.000 0.950 1469 R CB 1.311 31.611 30.300 -0.000 0.000 1.165 1469 R HN 0.497 nan 8.270 nan 0.000 0.474 1470 F N 1.296 121.290 119.950 0.073 0.000 2.492 1470 F HA 0.456 4.983 4.527 -0.000 0.000 0.327 1470 F C -0.008 175.855 175.800 0.104 0.000 1.079 1470 F CA -0.914 57.111 58.000 0.043 0.000 0.967 1470 F CB 1.245 40.234 39.000 -0.018 0.000 1.169 1470 F HN 0.389 nan 8.300 nan 0.000 0.472 1471 Y N 0.085 120.494 120.300 0.182 0.000 2.462 1471 Y HA 0.710 5.260 4.550 -0.000 0.000 0.346 1471 Y C -1.319 174.654 175.900 0.121 0.000 0.976 1471 Y CA -1.010 57.147 58.100 0.095 0.000 1.044 1471 Y CB 1.425 39.881 38.460 -0.008 0.000 1.230 1471 Y HN 0.705 nan 8.280 nan 0.000 0.455 1472 H N 4.122 123.236 119.070 0.074 0.000 2.954 1472 H HA 0.296 4.852 4.556 -0.000 0.000 0.361 1472 H C -2.544 172.795 175.328 0.018 0.000 1.122 1472 H CA -2.136 53.905 56.048 -0.012 0.000 1.217 1472 H CB 3.175 32.915 29.762 -0.037 0.000 1.776 1472 H HN 0.491 nan 8.280 nan 0.000 0.533 1473 P HA -0.120 nan 4.420 nan 0.000 0.216 1473 P C 0.514 177.842 177.300 0.048 0.000 1.153 1473 P CA 1.542 64.550 63.100 -0.154 0.000 0.858 1473 P CB 0.688 32.231 31.700 -0.262 0.000 0.789 1474 E N -0.918 119.447 120.200 0.276 0.000 2.110 1474 E HA 0.081 4.431 4.350 -0.000 0.000 0.194 1474 E C 0.305 177.041 176.600 0.226 0.000 0.944 1474 E CA -0.087 56.467 56.400 0.257 0.000 0.899 1474 E CB -0.167 29.677 29.700 0.239 0.000 0.907 1474 E HN 0.137 nan 8.360 nan 0.000 0.473 1475 K N 2.640 123.154 120.400 0.190 0.000 2.491 1475 K HA -0.038 4.281 4.320 -0.000 0.000 0.279 1475 K C 0.055 176.675 176.600 0.033 0.000 1.026 1475 K CA 0.198 56.438 56.287 -0.078 0.000 1.070 1475 K CB 0.358 32.590 32.500 -0.447 0.000 0.887 1475 K HN 0.157 nan 8.250 nan 0.000 0.481 1476 E N 2.961 123.171 120.200 0.017 0.000 2.413 1476 E HA -0.108 4.242 4.350 -0.000 0.000 0.263 1476 E C -0.309 176.320 176.600 0.049 0.000 1.015 1476 E CA 0.139 56.562 56.400 0.039 0.000 0.916 1476 E CB 0.340 30.054 29.700 0.023 0.000 0.947 1476 E HN 0.658 nan 8.360 nan 0.000 0.440 1477 D N 2.402 122.850 120.400 0.080 0.000 2.782 1477 D HA -0.253 4.387 4.640 -0.000 0.000 0.231 1477 D C 0.676 177.060 176.300 0.140 0.000 1.163 1477 D CA 1.127 55.194 54.000 0.111 0.000 0.680 1477 D CB -1.880 38.976 40.800 0.094 0.000 1.062 1477 D HN 0.893 nan 8.370 nan 0.000 0.425 1478 G N -1.546 107.332 108.800 0.130 0.000 2.233 1478 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.270 1478 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.270 1478 G C 0.348 175.218 174.900 -0.050 0.000 1.011 1478 G CA 0.689 45.858 45.100 0.115 0.000 0.762 1478 G HN 0.690 nan 8.290 nan 0.000 0.511 1479 K N -0.607 119.743 120.400 -0.084 0.000 2.098 1479 K HA 0.743 5.063 4.320 -0.000 0.000 0.257 1479 K C 0.950 177.434 176.600 -0.193 0.000 0.999 1479 K CA -0.534 55.654 56.287 -0.164 0.000 0.924 1479 K CB 0.656 33.103 32.500 -0.088 0.000 1.028 1479 K HN 0.219 nan 8.250 nan 0.000 0.466 1480 L N 2.280 123.384 121.223 -0.198 0.000 2.360 1480 L HA 0.350 4.690 4.340 -0.000 0.000 0.271 1480 L C -0.071 176.729 176.870 -0.116 0.000 1.057 1480 L CA -1.078 53.660 54.840 -0.171 0.000 0.803 1480 L CB 0.937 42.898 42.059 -0.162 0.000 1.207 1480 L HN 0.530 nan 8.230 nan 0.000 0.445 1481 N N 3.145 121.784 118.700 -0.102 0.000 2.438 1481 N HA 0.142 4.882 4.740 -0.000 0.000 0.267 1481 N C -0.842 174.634 175.510 -0.057 0.000 1.222 1481 N CA 0.140 53.150 53.050 -0.067 0.000 0.930 1481 N CB 0.234 38.685 38.487 -0.059 0.000 1.083 1481 N HN 0.456 nan 8.380 nan 0.000 0.476 1482 K N 0.255 120.626 120.400 -0.048 0.000 2.619 1482 K HA 0.226 4.546 4.320 -0.000 0.000 0.251 1482 K C -1.212 175.348 176.600 -0.067 0.000 0.987 1482 K CA -0.897 55.356 56.287 -0.055 0.000 0.844 1482 K CB 0.905 33.383 32.500 -0.037 0.000 1.237 1482 K HN 0.118 nan 8.250 nan 0.000 0.447 1483 L N 3.606 124.732 121.223 -0.162 0.000 2.678 1483 L HA 0.124 4.464 4.340 -0.000 0.000 0.276 1483 L C -1.043 175.717 176.870 -0.183 0.000 1.142 1483 L CA 0.298 54.964 54.840 -0.291 0.000 0.961 1483 L CB -0.377 41.290 42.059 -0.653 0.000 1.291 1483 L HN 0.778 nan 8.230 nan 0.000 0.476 1484 c N 5.541 124.133 118.600 -0.013 0.000 2.341 1484 c HA 0.693 5.263 4.570 -0.000 0.000 0.338 1484 c C 0.352 174.556 174.090 0.190 0.000 1.257 1484 c CA -0.795 55.608 56.329 0.122 0.000 1.883 1484 c CB 0.907 43.472 42.510 0.092 0.000 2.334 1484 c HN 0.866 nan 8.230 nan 0.000 0.524 1485 R N 2.611 123.277 120.500 0.276 0.000 2.531 1485 R HA 0.366 4.706 4.340 -0.000 0.000 0.293 1485 R C -0.429 175.921 176.300 0.083 0.000 1.124 1485 R CA -0.160 56.063 56.100 0.204 0.000 0.945 1485 R CB 0.582 31.066 30.300 0.307 0.000 1.195 1485 R HN 0.946 nan 8.270 nan 0.000 0.433 1486 D N 2.583 123.019 120.400 0.060 0.000 4.543 1486 D HA -0.272 4.368 4.640 -0.000 0.000 0.195 1486 D C -0.269 176.046 176.300 0.024 0.000 0.625 1486 D CA 2.098 56.112 54.000 0.024 0.000 1.383 1486 D CB -0.284 40.505 40.800 -0.017 0.000 0.867 1486 D HN 0.800 nan 8.370 nan 0.000 0.458 1487 E N -0.251 119.951 120.200 0.003 0.000 3.521 1487 E HA 0.373 4.723 4.350 -0.000 0.000 0.183 1487 E C -0.841 175.756 176.600 -0.005 0.000 0.981 1487 E CA -0.210 56.191 56.400 0.001 0.000 1.349 1487 E CB 1.013 30.703 29.700 -0.016 0.000 1.102 1487 E HN 0.137 nan 8.360 nan 0.000 0.449 1488 L N 0.990 122.227 121.223 0.025 0.000 2.457 1488 L HA 0.447 4.787 4.340 -0.000 0.000 0.266 1488 L C -1.477 175.537 176.870 0.240 0.000 0.979 1488 L CA -0.516 54.352 54.840 0.046 0.000 0.857 1488 L CB 0.996 42.992 42.059 -0.104 0.000 1.213 1488 L HN 0.050 nan 8.230 nan 0.000 0.418 1489 c N 4.518 123.232 118.600 0.189 0.000 2.417 1489 c HA 0.810 5.379 4.570 -0.000 0.000 0.324 1489 c C -0.193 173.986 174.090 0.149 0.000 1.240 1489 c CA -0.804 55.637 56.329 0.187 0.000 1.632 1489 c CB 1.538 44.093 42.510 0.075 0.000 2.241 1489 c HN 0.870 nan 8.230 nan 0.000 0.499 1490 R N 1.632 122.185 120.500 0.088 0.000 2.494 1490 R HA 0.618 4.958 4.340 -0.000 0.000 0.305 1490 R C -0.628 175.657 176.300 -0.026 0.000 0.959 1490 R CA -0.314 55.812 56.100 0.043 0.000 0.864 1490 R CB 0.660 30.999 30.300 0.065 0.000 1.159 1490 R HN 0.693 nan 8.270 nan 0.000 0.446 1491 c N 3.056 121.661 118.600 0.008 0.000 2.590 1491 c HA 0.291 4.861 4.570 -0.000 0.000 0.411 1491 c C 1.272 175.355 174.090 -0.012 0.000 1.420 1491 c CA 0.444 56.775 56.329 0.003 0.000 1.643 1491 c CB -0.839 41.695 42.510 0.040 0.000 2.528 1491 c HN 0.907 nan 8.230 nan 0.000 0.606 1492 A N 5.019 127.818 122.820 -0.035 0.000 2.574 1492 A HA 0.277 4.597 4.320 -0.000 0.000 0.283 1492 A C 0.830 178.397 177.584 -0.028 0.000 1.270 1492 A CA 0.047 52.059 52.037 -0.042 0.000 0.945 1492 A CB -0.141 18.818 19.000 -0.068 0.000 1.127 1492 A HN 0.874 nan 8.150 nan 0.000 0.522 1493 E N 2.033 122.224 120.200 -0.015 0.000 2.346 1493 E HA 0.102 4.452 4.350 -0.000 0.000 0.317 1493 E C 0.100 176.699 176.600 -0.001 0.000 1.404 1493 E CA 0.231 56.624 56.400 -0.013 0.000 1.534 1493 E CB -0.374 29.320 29.700 -0.010 0.000 1.309 1493 E HN 0.902 nan 8.360 nan 0.000 0.499 1494 E N -0.677 119.514 120.200 -0.014 0.000 2.433 1494 E HA 0.361 4.711 4.350 -0.000 0.000 0.264 1494 E C -0.409 176.162 176.600 -0.047 0.000 0.960 1494 E CA -1.004 55.384 56.400 -0.021 0.000 0.866 1494 E CB 0.484 30.176 29.700 -0.014 0.000 1.615 1494 E HN -0.194 nan 8.360 nan 0.000 0.442 1495 N N -0.377 118.282 118.700 -0.068 0.000 2.371 1495 N HA 0.075 4.815 4.740 -0.000 0.000 0.243 1495 N C 0.678 176.102 175.510 -0.144 0.000 1.287 1495 N CA -0.257 52.716 53.050 -0.128 0.000 0.911 1495 N CB 0.329 38.721 38.487 -0.159 0.000 1.142 1495 N HN 0.530 nan 8.380 nan 0.000 0.451 1496 c N -0.228 118.222 118.600 -0.250 0.000 2.473 1496 c HA 0.025 4.595 4.570 -0.000 0.000 0.279 1496 c C 1.050 175.093 174.090 -0.078 0.000 1.250 1496 c CA 0.695 56.908 56.329 -0.194 0.000 1.713 1496 c CB -1.232 41.104 42.510 -0.291 0.000 2.066 1496 c HN 0.781 nan 8.230 nan 0.000 0.474 1497 F N -2.580 117.309 119.950 -0.100 0.000 3.084 1497 F HA 0.619 5.146 4.527 -0.000 0.000 0.336 1497 F C 0.809 176.548 175.800 -0.103 0.000 1.230 1497 F CA -1.145 56.785 58.000 -0.117 0.000 0.993 1497 F CB -0.396 38.488 39.000 -0.192 0.000 1.496 1497 F HN -0.177 nan 8.300 nan 0.000 0.522 1498 I N 0.257 120.956 120.570 0.215 0.000 2.055 1498 I HA -0.144 4.026 4.170 -0.000 0.000 0.228 1498 I C 1.003 177.138 176.117 0.030 0.000 1.050 1498 I CA 2.046 63.410 61.300 0.106 0.000 1.326 1498 I CB -0.414 37.672 38.000 0.144 0.000 1.077 1498 I HN 0.785 nan 8.210 nan 0.000 0.392 1499 Q N -0.230 119.604 119.800 0.056 0.000 2.778 1499 Q HA 0.478 4.817 4.340 -0.000 0.000 0.395 1499 Q C -1.051 174.961 176.000 0.020 0.000 0.645 1499 Q CA -0.966 54.834 55.803 -0.006 0.000 0.925 1499 Q CB 1.471 30.215 28.738 0.010 0.000 1.101 1499 Q HN 0.059 nan 8.270 nan 0.000 0.445 1504 K N 0.473 120.897 120.400 0.041 0.000 2.502 1504 K HA 0.187 4.507 4.320 -0.000 0.000 0.211 1504 K C 0.128 176.762 176.600 0.057 0.000 1.259 1504 K CA 0.401 56.710 56.287 0.037 0.000 0.983 1504 K CB 2.411 34.926 32.500 0.026 0.000 1.054 1504 K HN -0.035 nan 8.250 nan 0.000 0.572 1505 V N 2.151 122.118 119.914 0.088 0.000 5.887 1505 V HA -0.255 3.865 4.120 -0.000 0.000 0.167 1505 V C 0.318 176.458 176.094 0.078 0.000 0.718 1505 V CA 0.754 63.130 62.300 0.128 0.000 0.553 1505 V CB -2.938 29.036 31.823 0.252 0.000 0.464 1505 V HN 0.455 nan 8.190 nan 0.000 0.392 1506 T N 0.966 115.549 114.554 0.049 0.000 2.652 1506 T HA 0.439 4.789 4.350 -0.000 0.000 0.319 1506 T C 1.199 175.909 174.700 0.017 0.000 1.029 1506 T CA 0.344 62.459 62.100 0.026 0.000 0.990 1506 T CB 1.359 70.240 68.868 0.021 0.000 1.098 1506 T HN 0.690 nan 8.240 nan 0.000 0.520 1507 L N 0.234 121.467 121.223 0.017 0.000 1.994 1507 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 1507 L C 2.858 179.755 176.870 0.045 0.000 1.071 1507 L CA 1.804 56.665 54.840 0.036 0.000 0.745 1507 L CB -0.556 41.529 42.059 0.045 0.000 0.892 1507 L HN 0.734 nan 8.230 nan 0.000 0.431 1508 E N -0.082 120.133 120.200 0.024 0.000 2.160 1508 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 1508 E C 2.065 178.668 176.600 0.005 0.000 0.991 1508 E CA 1.011 57.418 56.400 0.012 0.000 0.810 1508 E CB -0.132 29.568 29.700 0.000 0.000 0.742 1508 E HN 0.452 nan 8.360 nan 0.000 0.466 1509 E N 0.486 120.691 120.200 0.009 0.000 2.085 1509 E HA -0.166 4.183 4.350 -0.000 0.000 0.194 1509 E C 2.063 178.636 176.600 -0.044 0.000 0.994 1509 E CA 1.043 57.450 56.400 0.011 0.000 0.801 1509 E CB -0.187 29.544 29.700 0.052 0.000 0.743 1509 E HN 0.316 nan 8.360 nan 0.000 0.453 1510 R N 0.295 120.736 120.500 -0.098 0.000 2.115 1510 R HA 0.034 4.374 4.340 -0.000 0.000 0.226 1510 R C 2.688 178.913 176.300 -0.124 0.000 1.100 1510 R CA 0.512 56.451 56.100 -0.269 0.000 0.980 1510 R CB -0.299 29.681 30.300 -0.533 0.000 0.875 1510 R HN 0.141 nan 8.270 nan 0.000 0.445 1511 L N 0.839 122.100 121.223 0.064 0.000 1.989 1511 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 1511 L C 1.681 178.489 176.870 -0.102 0.000 1.071 1511 L CA 1.362 56.222 54.840 0.034 0.000 0.749 1511 L CB -0.509 41.551 42.059 0.002 0.000 0.890 1511 L HN 0.138 nan 8.230 nan 0.000 0.431 1512 D N 0.029 120.377 120.400 -0.087 0.000 2.144 1512 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 1512 D C 2.133 178.359 176.300 -0.123 0.000 0.978 1512 D CA 1.098 55.045 54.000 -0.088 0.000 0.833 1512 D CB -0.088 40.686 40.800 -0.043 0.000 0.961 1512 D HN 0.240 nan 8.370 nan 0.000 0.470 1513 K N 0.201 120.515 120.400 -0.143 0.000 2.439 1513 K HA 0.111 4.431 4.320 -0.000 0.000 0.197 1513 K C 1.621 177.970 176.600 -0.417 0.000 1.041 1513 K CA 0.656 56.871 56.287 -0.119 0.000 0.970 1513 K CB 0.266 32.791 32.500 0.043 0.000 0.773 1513 K HN 0.028 nan 8.250 nan 0.000 0.479 1514 A N -0.208 122.197 122.820 -0.691 0.000 2.169 1514 A HA 0.016 4.336 4.320 -0.000 0.000 0.210 1514 A C 1.546 178.817 177.584 -0.521 0.000 1.168 1514 A CA 0.205 51.615 52.037 -1.044 0.000 0.813 1514 A CB 0.102 18.480 19.000 -1.036 0.000 0.861 1514 A HN 0.302 nan 8.150 nan 0.000 0.481 1515 c N 1.323 119.734 118.600 -0.316 0.000 2.688 1515 c HA 0.257 4.827 4.570 -0.000 0.000 0.297 1515 c C 0.574 174.587 174.090 -0.128 0.000 1.308 1515 c CA -0.828 55.384 56.329 -0.195 0.000 1.726 1515 c CB -1.706 40.713 42.510 -0.152 0.000 1.982 1515 c HN 0.508 nan 8.230 nan 0.000 0.604 1516 E N 2.116 122.240 120.200 -0.126 0.000 2.398 1516 E HA 0.040 4.390 4.350 -0.000 0.000 0.263 1516 E C -1.494 175.087 176.600 -0.032 0.000 1.046 1516 E CA -0.919 55.448 56.400 -0.055 0.000 0.908 1516 E CB 0.591 30.280 29.700 -0.018 0.000 0.963 1516 E HN 0.142 nan 8.360 nan 0.000 0.431 1517 P HA -0.172 nan 4.420 nan 0.000 0.218 1517 P C 1.156 178.474 177.300 0.031 0.000 1.146 1517 P CA 1.255 64.360 63.100 0.010 0.000 0.813 1517 P CB 0.160 31.870 31.700 0.017 0.000 0.778 1518 G N -0.564 108.261 108.800 0.042 0.000 2.396 1518 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 1518 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 1518 G C 0.368 175.316 174.900 0.080 0.000 1.166 1518 G CA 0.030 45.174 45.100 0.073 0.000 0.793 1518 G HN 0.150 nan 8.290 nan 0.000 0.533 1519 V N 1.958 121.895 119.914 0.039 0.000 2.475 1519 V HA 0.050 4.170 4.120 -0.000 0.000 0.292 1519 V C 1.130 177.229 176.094 0.009 0.000 1.003 1519 V CA 0.813 63.113 62.300 -0.000 0.000 1.120 1519 V CB 1.199 32.935 31.823 -0.144 0.000 0.937 1519 V HN 0.360 nan 8.190 nan 0.000 0.476 1520 D N 3.627 124.066 120.400 0.066 0.000 2.725 1520 D HA 0.054 4.694 4.640 -0.000 0.000 0.269 1520 D C 0.277 176.687 176.300 0.183 0.000 1.018 1520 D CA 0.531 54.642 54.000 0.185 0.000 0.956 1520 D CB 0.378 41.421 40.800 0.405 0.000 1.141 1520 D HN 0.586 nan 8.370 nan 0.000 0.478 1521 Y N -0.554 119.816 120.300 0.116 0.000 2.393 1521 Y HA 0.686 5.236 4.550 -0.000 0.000 0.341 1521 Y C -1.129 174.636 175.900 -0.225 0.000 0.988 1521 Y CA -1.434 56.592 58.100 -0.124 0.000 1.078 1521 Y CB 1.726 40.187 38.460 0.001 0.000 1.203 1521 Y HN -0.276 nan 8.280 nan 0.000 0.453 1522 V N 5.389 125.066 119.914 -0.395 0.000 2.398 1522 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 1522 V C -1.337 174.663 176.094 -0.155 0.000 1.014 1522 V CA -0.790 61.429 62.300 -0.135 0.000 0.838 1522 V CB -0.174 31.637 31.823 -0.020 0.000 1.018 1522 V HN 0.751 nan 8.190 nan 0.000 0.432 1523 Y N 1.772 122.271 120.300 0.331 0.000 2.549 1523 Y HA 0.583 5.133 4.550 -0.000 0.000 0.339 1523 Y C 0.299 176.306 175.900 0.179 0.000 1.053 1523 Y CA -1.606 56.627 58.100 0.222 0.000 1.105 1523 Y CB 1.858 40.432 38.460 0.189 0.000 1.258 1523 Y HN 0.416 nan 8.280 nan 0.000 0.478 1524 K N 2.279 122.826 120.400 0.245 0.000 2.419 1524 K HA 0.355 4.675 4.320 -0.000 0.000 0.244 1524 K C -0.840 175.780 176.600 0.033 0.000 1.045 1524 K CA -0.288 56.028 56.287 0.048 0.000 1.004 1524 K CB 0.193 32.536 32.500 -0.261 0.000 1.376 1524 K HN 0.896 nan 8.250 nan 0.000 0.460 1525 T N 0.244 114.848 114.554 0.083 0.000 2.912 1525 T HA 0.417 4.766 4.350 -0.000 0.000 0.280 1525 T C -0.192 174.531 174.700 0.039 0.000 0.989 1525 T CA -0.995 61.135 62.100 0.049 0.000 0.995 1525 T CB 1.642 70.519 68.868 0.015 0.000 1.077 1525 T HN 0.466 nan 8.240 nan 0.000 0.531 1526 R N 1.252 121.742 120.500 -0.017 0.000 2.451 1526 R HA 0.362 4.702 4.340 -0.000 0.000 0.307 1526 R C -1.169 175.104 176.300 -0.045 0.000 0.965 1526 R CA -0.966 55.053 56.100 -0.135 0.000 0.865 1526 R CB 1.240 31.349 30.300 -0.318 0.000 1.174 1526 R HN 0.649 nan 8.270 nan 0.000 0.455 1527 L N 6.473 127.721 121.223 0.040 0.000 2.678 1527 L HA 0.008 4.348 4.340 -0.000 0.000 0.276 1527 L C 0.353 177.237 176.870 0.024 0.000 1.142 1527 L CA 0.680 55.565 54.840 0.075 0.000 0.961 1527 L CB 0.699 42.866 42.059 0.180 0.000 1.291 1527 L HN 0.561 nan 8.230 nan 0.000 0.476 1528 V N 3.993 123.919 119.914 0.020 0.000 2.283 1528 V HA 0.055 4.175 4.120 -0.000 0.000 0.239 1528 V C 1.008 177.110 176.094 0.014 0.000 1.035 1528 V CA 1.001 63.306 62.300 0.007 0.000 1.018 1528 V CB -0.418 31.413 31.823 0.012 0.000 0.658 1528 V HN 0.790 nan 8.190 nan 0.000 0.459 1529 K N -0.188 120.225 120.400 0.021 0.000 2.426 1529 K HA 0.590 4.910 4.320 -0.000 0.000 0.251 1529 K C -1.843 174.747 176.600 -0.015 0.000 0.941 1529 K CA -0.485 55.805 56.287 0.004 0.000 0.808 1529 K CB 2.521 35.023 32.500 0.003 0.000 1.265 1529 K HN 0.016 nan 8.250 nan 0.000 0.432 1530 V N 4.432 124.312 119.914 -0.055 0.000 2.304 1530 V HA 0.239 4.359 4.120 -0.000 0.000 0.278 1530 V C -0.852 175.147 176.094 -0.158 0.000 1.018 1530 V CA -0.657 61.554 62.300 -0.148 0.000 0.814 1530 V CB 1.137 32.868 31.823 -0.153 0.000 1.021 1530 V HN 0.741 nan 8.190 nan 0.000 0.440 1531 Q N 5.646 125.346 119.800 -0.166 0.000 2.509 1531 Q HA 0.525 4.865 4.340 -0.000 0.000 0.230 1531 Q C -0.535 175.345 176.000 -0.199 0.000 1.089 1531 Q CA -0.286 55.436 55.803 -0.136 0.000 0.901 1531 Q CB 1.458 30.154 28.738 -0.069 0.000 1.208 1531 Q HN 0.817 nan 8.270 nan 0.000 0.529 1532 L N -1.496 119.599 121.223 -0.212 0.000 2.322 1532 L HA 0.744 5.083 4.340 -0.000 0.000 0.279 1532 L C -0.237 176.511 176.870 -0.205 0.000 1.036 1532 L CA -0.500 54.201 54.840 -0.230 0.000 0.807 1532 L CB 1.614 43.546 42.059 -0.211 0.000 1.226 1532 L HN 0.220 nan 8.230 nan 0.000 0.433 1533 S N 0.967 116.513 115.700 -0.256 0.000 3.565 1533 S HA 0.325 4.795 4.470 -0.000 0.000 0.242 1533 S C 0.538 175.023 174.600 -0.191 0.000 1.023 1533 S CA -0.426 57.616 58.200 -0.264 0.000 1.300 1533 S CB 1.010 63.941 63.200 -0.448 0.000 1.198 1533 S HN 0.870 nan 8.310 nan 0.000 0.697 1534 N N 0.240 118.826 118.700 -0.191 0.000 2.545 1534 N HA -0.034 4.706 4.740 -0.000 0.000 0.190 1534 N C 0.522 175.987 175.510 -0.075 0.000 1.043 1534 N CA 0.814 53.801 53.050 -0.105 0.000 0.879 1534 N CB 0.102 38.544 38.487 -0.075 0.000 1.210 1534 N HN 0.563 nan 8.380 nan 0.000 0.437 1535 D N -0.128 120.218 120.400 -0.091 0.000 2.324 1535 D HA -0.003 4.637 4.640 -0.000 0.000 0.212 1535 D C 0.254 176.634 176.300 0.133 0.000 0.984 1535 D CA 0.306 54.325 54.000 0.032 0.000 0.885 1535 D CB 0.016 40.886 40.800 0.116 0.000 0.996 1535 D HN 0.335 nan 8.370 nan 0.000 0.505 1536 F N -0.575 119.366 119.950 -0.015 0.000 2.641 1536 F HA 0.617 5.144 4.527 -0.000 0.000 0.308 1536 F C -1.966 173.837 175.800 0.005 0.000 1.105 1536 F CA -1.403 56.592 58.000 -0.008 0.000 0.964 1536 F CB 1.281 40.260 39.000 -0.034 0.000 1.294 1536 F HN -0.428 nan 8.300 nan 0.000 0.442 1537 D N 2.013 122.525 120.400 0.186 0.000 2.381 1537 D HA 0.250 4.889 4.640 -0.000 0.000 0.235 1537 D C -0.763 175.615 176.300 0.130 0.000 1.068 1537 D CA -0.335 53.674 54.000 0.016 0.000 0.832 1537 D CB 1.778 42.566 40.800 -0.019 0.000 1.101 1537 D HN 0.602 nan 8.370 nan 0.000 0.515 1538 E N 1.393 121.608 120.200 0.026 0.000 2.360 1538 E HA 0.143 4.493 4.350 -0.000 0.000 0.269 1538 E C -0.594 175.942 176.600 -0.107 0.000 1.022 1538 E CA -0.021 56.452 56.400 0.122 0.000 0.887 1538 E CB 0.749 30.523 29.700 0.123 0.000 0.990 1538 E HN 0.368 nan 8.360 nan 0.000 0.426 1539 Y N 2.115 122.515 120.300 0.166 0.000 2.526 1539 Y HA 0.284 4.833 4.550 -0.000 0.000 0.328 1539 Y C -0.094 175.905 175.900 0.165 0.000 0.995 1539 Y CA -0.567 57.603 58.100 0.117 0.000 1.304 1539 Y CB 0.564 39.062 38.460 0.064 0.000 1.096 1539 Y HN 0.384 nan 8.280 nan 0.000 0.499 1540 I N 5.311 125.998 120.570 0.195 0.000 2.406 1540 I HA 0.092 4.262 4.170 -0.000 0.000 0.293 1540 I C -0.292 175.913 176.117 0.147 0.000 1.101 1540 I CA 0.337 61.742 61.300 0.174 0.000 1.334 1540 I CB 0.031 38.089 38.000 0.098 0.000 1.421 1540 I HN 0.426 nan 8.210 nan 0.000 0.513 1541 M N 5.284 124.997 119.600 0.189 0.000 2.537 1541 M HA 0.578 5.058 4.480 -0.000 0.000 0.324 1541 M C -0.141 176.207 176.300 0.080 0.000 1.187 1541 M CA -0.690 54.664 55.300 0.090 0.000 0.993 1541 M CB 1.771 34.356 32.600 -0.025 0.000 1.666 1541 M HN 0.511 nan 8.290 nan 0.000 0.461 1542 A N 3.366 126.203 122.820 0.028 0.000 2.291 1542 A HA 0.670 4.990 4.320 -0.000 0.000 0.311 1542 A C -0.223 177.358 177.584 -0.006 0.000 1.224 1542 A CA -0.655 51.387 52.037 0.010 0.000 0.821 1542 A CB 0.178 19.178 19.000 0.000 0.000 1.172 1542 A HN 0.865 nan 8.150 nan 0.000 0.494 1543 I N 3.446 123.994 120.570 -0.037 0.000 2.574 1543 I HA -0.012 4.158 4.170 -0.000 0.000 0.291 1543 I C 0.973 177.080 176.117 -0.016 0.000 1.131 1543 I CA -0.085 61.183 61.300 -0.054 0.000 1.352 1543 I CB 0.351 38.237 38.000 -0.190 0.000 1.431 1543 I HN 0.746 nan 8.210 nan 0.000 0.543 1544 E N 5.731 125.932 120.200 0.001 0.000 2.150 1544 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 1544 E C 0.347 176.937 176.600 -0.017 0.000 0.985 1544 E CA 0.951 57.343 56.400 -0.014 0.000 0.814 1544 E CB 0.082 29.753 29.700 -0.048 0.000 0.752 1544 E HN 0.802 nan 8.360 nan 0.000 0.466 1545 Q N -0.992 118.816 119.800 0.014 0.000 2.545 1545 Q HA 0.268 4.608 4.340 -0.000 0.000 0.273 1545 Q C -1.100 174.998 176.000 0.162 0.000 0.975 1545 Q CA -0.603 55.230 55.803 0.050 0.000 0.876 1545 Q CB 0.871 29.611 28.738 0.005 0.000 1.472 1545 Q HN -0.087 nan 8.270 nan 0.000 0.389 1546 T N 0.331 115.002 114.554 0.195 0.000 3.005 1546 T HA 0.396 4.746 4.350 -0.000 0.000 0.323 1546 T C 1.006 175.820 174.700 0.189 0.000 1.131 1546 T CA -0.580 61.724 62.100 0.340 0.000 0.977 1546 T CB -0.270 68.807 68.868 0.348 0.000 1.055 1546 T HN 0.639 nan 8.240 nan 0.000 0.562 1547 I N 1.083 121.746 120.570 0.155 0.000 2.179 1547 I HA -0.035 4.135 4.170 -0.000 0.000 0.242 1547 I C 1.485 177.607 176.117 0.009 0.000 1.088 1547 I CA 1.199 62.538 61.300 0.065 0.000 1.357 1547 I CB 0.014 38.067 38.000 0.089 0.000 1.051 1547 I HN 0.513 nan 8.210 nan 0.000 0.409 1548 K N 1.139 121.532 120.400 -0.012 0.000 2.535 1548 K HA 0.276 4.596 4.320 -0.000 0.000 0.253 1548 K C -0.797 175.816 176.600 0.022 0.000 0.953 1548 K CA -0.342 55.928 56.287 -0.028 0.000 0.863 1548 K CB 1.395 33.846 32.500 -0.083 0.000 1.111 1548 K HN -0.134 nan 8.250 nan 0.000 0.431 1549 S N 2.691 118.445 115.700 0.091 0.000 2.465 1549 S HA 0.100 4.570 4.470 -0.000 0.000 0.307 1549 S C 0.608 175.309 174.600 0.168 0.000 1.187 1549 S CA -0.298 58.005 58.200 0.171 0.000 1.141 1549 S CB 0.648 63.929 63.200 0.135 0.000 1.108 1549 S HN 0.769 nan 8.310 nan 0.000 0.525 1550 G N 2.239 111.195 108.800 0.260 0.000 2.485 1550 G HA2 0.189 4.149 3.960 -0.000 0.000 0.260 1550 G HA3 0.189 4.149 3.960 -0.000 0.000 0.260 1550 G C 1.082 176.129 174.900 0.245 0.000 1.459 1550 G CA -0.055 45.223 45.100 0.296 0.000 1.060 1550 G HN 0.697 nan 8.290 nan 0.000 0.546 1551 S N -1.393 114.446 115.700 0.233 0.000 2.561 1551 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 1551 S C 0.461 175.079 174.600 0.030 0.000 0.977 1551 S CA 0.705 58.943 58.200 0.064 0.000 0.926 1551 S CB 0.099 63.257 63.200 -0.070 0.000 0.769 1551 S HN 0.438 nan 8.310 nan 0.000 0.533 1552 D N 2.624 123.137 120.400 0.189 0.000 2.396 1552 D HA 0.164 4.803 4.640 -0.000 0.000 0.225 1552 D C -0.531 175.882 176.300 0.187 0.000 1.121 1552 D CA -0.337 53.772 54.000 0.181 0.000 0.853 1552 D CB 0.655 41.683 40.800 0.379 0.000 1.043 1552 D HN 0.044 nan 8.370 nan 0.000 0.500 1553 E N 2.838 123.096 120.200 0.097 0.000 1.833 1553 E HA 0.086 4.436 4.350 -0.000 0.000 0.258 1553 E C -0.489 176.158 176.600 0.078 0.000 1.257 1553 E CA -0.029 56.422 56.400 0.084 0.000 1.003 1553 E CB 0.647 30.373 29.700 0.043 0.000 1.068 1553 E HN 0.173 nan 8.360 nan 0.000 0.422 1554 V N 3.401 123.374 119.914 0.098 0.000 2.531 1554 V HA 0.210 4.330 4.120 -0.000 0.000 0.301 1554 V C -0.819 175.294 176.094 0.032 0.000 1.034 1554 V CA -0.772 61.556 62.300 0.046 0.000 0.865 1554 V CB 1.941 33.764 31.823 0.001 0.000 0.995 1554 V HN 0.371 nan 8.190 nan 0.000 0.424 1555 Q N 3.777 123.588 119.800 0.018 0.000 2.260 1555 Q HA 0.541 4.881 4.340 -0.000 0.000 0.242 1555 Q C -0.324 175.675 176.000 -0.002 0.000 0.932 1555 Q CA -0.308 55.506 55.803 0.018 0.000 0.891 1555 Q CB 1.776 30.525 28.738 0.018 0.000 1.222 1555 Q HN 0.682 nan 8.270 nan 0.000 0.453 1556 V N 2.023 121.941 119.914 0.007 0.000 2.617 1556 V HA 0.245 4.364 4.120 -0.000 0.000 0.304 1556 V C 1.381 177.472 176.094 -0.005 0.000 1.040 1556 V CA 1.964 64.262 62.300 -0.003 0.000 1.149 1556 V CB 0.033 31.862 31.823 0.009 0.000 0.914 1556 V HN 1.033 nan 8.190 nan 0.000 0.487 1557 G N 3.278 112.071 108.800 -0.012 0.000 2.307 1557 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.210 1557 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.210 1557 G C 0.162 175.059 174.900 -0.005 0.000 1.005 1557 G CA -0.032 45.065 45.100 -0.005 0.000 0.634 1557 G HN 0.624 nan 8.290 nan 0.000 0.496 1558 Q N 0.517 120.309 119.800 -0.012 0.000 2.368 1558 Q HA 0.564 4.903 4.340 -0.000 0.000 0.237 1558 Q C -0.056 175.941 176.000 -0.005 0.000 0.987 1558 Q CA 0.196 55.995 55.803 -0.006 0.000 0.896 1558 Q CB 0.571 29.304 28.738 -0.008 0.000 1.241 1558 Q HN 0.523 nan 8.270 nan 0.000 0.485 1559 Q N 1.196 121.006 119.800 0.017 0.000 2.316 1559 Q HA 0.446 4.785 4.340 -0.000 0.000 0.264 1559 Q C -0.799 175.241 176.000 0.067 0.000 0.987 1559 Q CA -0.776 55.052 55.803 0.042 0.000 0.852 1559 Q CB 1.686 30.454 28.738 0.050 0.000 1.287 1559 Q HN 0.181 nan 8.270 nan 0.000 0.448 1560 R N 1.086 121.651 120.500 0.108 0.000 2.589 1560 R HA 0.484 4.824 4.340 -0.000 0.000 0.293 1560 R C -0.734 175.698 176.300 0.219 0.000 0.963 1560 R CA -0.590 55.593 56.100 0.139 0.000 0.905 1560 R CB 1.896 32.257 30.300 0.101 0.000 1.144 1560 R HN 0.524 nan 8.270 nan 0.000 0.459 1561 T N 3.729 118.376 114.554 0.155 0.000 2.743 1561 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 1561 T C -0.208 174.596 174.700 0.173 0.000 0.972 1561 T CA -0.201 62.027 62.100 0.213 0.000 0.967 1561 T CB 0.066 69.031 68.868 0.161 0.000 0.926 1561 T HN 0.153 nan 8.240 nan 0.000 0.459 1562 F N 2.573 122.644 119.950 0.202 0.000 2.378 1562 F HA 0.639 5.166 4.527 -0.000 0.000 0.325 1562 F C 0.560 176.510 175.800 0.249 0.000 1.097 1562 F CA -1.325 56.794 58.000 0.198 0.000 1.079 1562 F CB 0.887 39.961 39.000 0.122 0.000 1.240 1562 F HN 0.324 nan 8.300 nan 0.000 0.519 1563 I N 1.244 122.010 120.570 0.327 0.000 2.533 1563 I HA 0.419 4.588 4.170 -0.000 0.000 0.290 1563 I C -0.754 175.477 176.117 0.191 0.000 1.056 1563 I CA -0.486 60.973 61.300 0.265 0.000 1.057 1563 I CB 2.171 40.183 38.000 0.020 0.000 1.240 1563 I HN 0.463 nan 8.210 nan 0.000 0.423 1564 S N 6.243 122.097 115.700 0.257 0.000 2.536 1564 S HA 0.633 5.103 4.470 -0.000 0.000 0.271 1564 S C -2.780 171.919 174.600 0.165 0.000 1.134 1564 S CA -1.220 57.067 58.200 0.146 0.000 0.897 1564 S CB 2.090 65.314 63.200 0.040 0.000 1.094 1564 S HN 0.202 nan 8.310 nan 0.000 0.473 1565 P HA 0.192 nan 4.420 nan 0.000 0.270 1565 P C 0.564 177.911 177.300 0.079 0.000 1.227 1565 P CA -0.216 62.924 63.100 0.067 0.000 0.788 1565 P CB 0.299 32.010 31.700 0.019 0.000 0.926 1566 I N 1.007 121.610 120.570 0.055 0.000 2.439 1566 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 1566 I C 2.194 178.332 176.117 0.034 0.000 1.139 1566 I CA 1.485 62.812 61.300 0.045 0.000 1.438 1566 I CB -1.002 37.009 38.000 0.019 0.000 1.085 1566 I HN 0.425 nan 8.210 nan 0.000 0.427 1567 K N 0.225 120.636 120.400 0.018 0.000 2.211 1567 K HA -0.132 4.187 4.320 -0.000 0.000 0.204 1567 K C 1.665 178.268 176.600 0.005 0.000 1.047 1567 K CA 1.733 58.022 56.287 0.004 0.000 0.935 1567 K CB -0.806 31.686 32.500 -0.012 0.000 0.728 1567 K HN 0.345 nan 8.250 nan 0.000 0.452 1568 c N 0.826 119.438 118.600 0.019 0.000 2.696 1568 c HA 0.258 4.828 4.570 -0.000 0.000 0.264 1568 c C 2.394 176.525 174.090 0.068 0.000 1.288 1568 c CA -0.543 55.804 56.329 0.030 0.000 1.717 1568 c CB -0.968 41.564 42.510 0.036 0.000 1.893 1568 c HN 0.529 nan 8.230 nan 0.000 0.577 1569 R N 1.883 122.429 120.500 0.077 0.000 2.120 1569 R HA -0.170 4.169 4.340 -0.000 0.000 0.234 1569 R C 2.081 178.424 176.300 0.072 0.000 1.123 1569 R CA 1.549 57.713 56.100 0.106 0.000 0.975 1569 R CB -0.194 30.170 30.300 0.106 0.000 0.866 1569 R HN 0.665 nan 8.270 nan 0.000 0.446 1570 E N -0.620 119.610 120.200 0.049 0.000 2.158 1570 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 1570 E C 1.521 178.145 176.600 0.040 0.000 0.982 1570 E CA 0.844 57.265 56.400 0.035 0.000 0.823 1570 E CB 0.057 29.769 29.700 0.020 0.000 0.766 1570 E HN 0.461 nan 8.360 nan 0.000 0.468 1571 A N 0.575 123.431 122.820 0.060 0.000 2.021 1571 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 1571 A C 2.033 179.699 177.584 0.137 0.000 1.163 1571 A CA 0.338 52.439 52.037 0.106 0.000 0.676 1571 A CB -0.224 18.841 19.000 0.108 0.000 0.818 1571 A HN 0.247 nan 8.150 nan 0.000 0.453 1572 L N -0.813 120.460 121.223 0.085 0.000 2.131 1572 L HA -0.102 4.237 4.340 -0.000 0.000 0.206 1572 L C 1.041 177.867 176.870 -0.073 0.000 1.087 1572 L CA 1.074 55.874 54.840 -0.068 0.000 0.767 1572 L CB -0.410 41.561 42.059 -0.147 0.000 0.917 1572 L HN 0.538 nan 8.230 nan 0.000 0.441 1573 K N 0.518 120.918 120.400 0.001 0.000 3.264 1573 K HA -0.219 4.100 4.320 -0.000 0.000 0.267 1573 K C -0.611 176.010 176.600 0.036 0.000 0.886 1573 K CA 0.977 57.278 56.287 0.022 0.000 0.665 1573 K CB -2.802 29.709 32.500 0.017 0.000 1.447 1573 K HN 0.276 nan 8.250 nan 0.000 0.464 1574 L N 1.097 122.330 121.223 0.017 0.000 2.360 1574 L HA 0.183 4.523 4.340 -0.000 0.000 0.276 1574 L C 0.680 177.637 176.870 0.145 0.000 1.121 1574 L CA 0.048 54.904 54.840 0.027 0.000 0.845 1574 L CB 0.476 42.441 42.059 -0.155 0.000 1.143 1574 L HN 0.319 nan 8.230 nan 0.000 0.452 1575 E N 2.966 123.309 120.200 0.238 0.000 2.191 1575 E HA 0.294 4.644 4.350 -0.000 0.000 0.274 1575 E C -0.699 176.005 176.600 0.173 0.000 0.948 1575 E CA -0.777 55.723 56.400 0.166 0.000 0.802 1575 E CB 1.766 31.544 29.700 0.130 0.000 1.137 1575 E HN 0.511 nan 8.360 nan 0.000 0.397 1576 E N 1.545 121.804 120.200 0.099 0.000 2.425 1576 E HA -0.029 4.320 4.350 -0.000 0.000 0.258 1576 E C -0.274 176.346 176.600 0.034 0.000 1.151 1576 E CA 0.101 56.541 56.400 0.066 0.000 0.958 1576 E CB 0.351 30.070 29.700 0.032 0.000 0.968 1576 E HN 0.406 nan 8.360 nan 0.000 0.451 1577 K N -0.060 120.331 120.400 -0.014 0.000 3.088 1577 K HA -0.240 4.080 4.320 -0.000 0.000 0.273 1577 K C -0.675 175.844 176.600 -0.135 0.000 1.111 1577 K CA 0.925 57.167 56.287 -0.074 0.000 0.803 1577 K CB -1.082 31.398 32.500 -0.032 0.000 1.226 1577 K HN 0.366 nan 8.250 nan 0.000 0.485 1578 K N 0.440 120.754 120.400 -0.143 0.000 2.267 1578 K HA 0.373 4.692 4.320 -0.000 0.000 0.246 1578 K C -0.337 175.963 176.600 -0.500 0.000 0.954 1578 K CA -0.909 55.220 56.287 -0.262 0.000 0.824 1578 K CB 1.437 33.848 32.500 -0.149 0.000 1.167 1578 K HN 0.084 nan 8.250 nan 0.000 0.431 1579 H N 1.342 120.141 119.070 -0.452 0.000 2.481 1579 H HA 0.287 4.843 4.556 -0.000 0.000 0.339 1579 H C -0.891 174.058 175.328 -0.632 0.000 1.131 1579 H CA -0.014 55.798 56.048 -0.394 0.000 1.301 1579 H CB 0.888 30.462 29.762 -0.313 0.000 1.476 1579 H HN 0.449 nan 8.280 nan 0.000 0.529 1580 Y N 0.699 121.034 120.300 0.059 0.000 2.504 1580 Y HA 0.159 4.709 4.550 -0.000 0.000 0.344 1580 Y C -0.562 175.424 175.900 0.143 0.000 1.023 1580 Y CA -0.948 57.193 58.100 0.069 0.000 1.020 1580 Y CB 1.789 40.216 38.460 -0.055 0.000 1.282 1580 Y HN 0.370 nan 8.280 nan 0.000 0.454 1581 L N 6.055 127.536 121.223 0.429 0.000 2.262 1581 L HA 0.678 5.018 4.340 -0.000 0.000 0.288 1581 L C -0.746 176.313 176.870 0.316 0.000 1.035 1581 L CA -0.638 54.467 54.840 0.441 0.000 0.820 1581 L CB 0.207 42.642 42.059 0.627 0.000 1.204 1581 L HN 0.664 nan 8.230 nan 0.000 0.424 1582 M N 4.215 123.973 119.600 0.264 0.000 2.386 1582 M HA 0.720 5.200 4.480 -0.000 0.000 0.293 1582 M C -1.881 174.562 176.300 0.237 0.000 1.120 1582 M CA -0.634 54.747 55.300 0.136 0.000 0.909 1582 M CB 1.951 34.555 32.600 0.007 0.000 1.661 1582 M HN 0.634 nan 8.290 nan 0.000 0.452 1583 W N 1.360 122.713 121.300 0.088 0.000 3.022 1583 W HA 0.944 5.604 4.660 -0.000 0.000 0.335 1583 W C -1.207 175.109 176.519 -0.339 0.000 1.133 1583 W CA -0.728 56.463 57.345 -0.256 0.000 1.219 1583 W CB 0.828 30.155 29.460 -0.221 0.000 1.409 1583 W HN 0.973 nan 8.180 nan 0.000 0.507 1584 G N 1.904 110.265 108.800 -0.731 0.000 3.015 1584 G HA2 0.744 4.703 3.960 -0.000 0.000 0.281 1584 G HA3 0.744 4.703 3.960 -0.000 0.000 0.281 1584 G C -1.468 173.350 174.900 -0.135 0.000 1.386 1584 G CA -1.359 43.584 45.100 -0.263 0.000 0.959 1584 G HN 0.709 nan 8.290 nan 0.000 0.522 1585 L N 0.232 121.537 121.223 0.137 0.000 2.439 1585 L HA 0.272 4.612 4.340 -0.000 0.000 0.259 1585 L C 1.925 179.001 176.870 0.342 0.000 1.129 1585 L CA -0.383 54.576 54.840 0.199 0.000 0.803 1585 L CB 1.725 43.892 42.059 0.179 0.000 1.161 1585 L HN 0.693 nan 8.230 nan 0.000 0.462 1586 S N -1.822 114.100 115.700 0.370 0.000 2.561 1586 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 1586 S C 1.196 176.108 174.600 0.520 0.000 0.977 1586 S CA 0.466 59.004 58.200 0.563 0.000 0.926 1586 S CB -0.283 63.127 63.200 0.351 0.000 0.769 1586 S HN 0.723 nan 8.310 nan 0.000 0.533 1587 S N 0.162 116.063 115.700 0.335 0.000 2.614 1587 S HA 0.283 4.753 4.470 -0.000 0.000 0.230 1587 S C -0.086 174.663 174.600 0.248 0.000 0.952 1587 S CA -0.484 57.876 58.200 0.267 0.000 0.949 1587 S CB -0.009 63.299 63.200 0.181 0.000 0.786 1587 S HN 0.278 nan 8.310 nan 0.000 0.478 1588 D N 0.844 121.386 120.400 0.236 0.000 2.462 1588 D HA 0.352 4.992 4.640 -0.000 0.000 0.221 1588 D C -0.600 175.677 176.300 -0.037 0.000 1.173 1588 D CA -0.294 53.774 54.000 0.114 0.000 0.831 1588 D CB -0.021 40.861 40.800 0.137 0.000 1.001 1588 D HN 0.353 nan 8.370 nan 0.000 0.499 1589 F N 0.262 120.250 119.950 0.063 0.000 2.371 1589 F HA 0.369 4.896 4.527 -0.000 0.000 0.329 1589 F C 0.461 176.332 175.800 0.119 0.000 1.107 1589 F CA -0.554 57.412 58.000 -0.056 0.000 1.137 1589 F CB 1.168 40.086 39.000 -0.136 0.000 1.214 1589 F HN -0.095 nan 8.300 nan 0.000 0.536 1590 W N 2.844 124.135 121.300 -0.014 0.000 2.835 1590 W HA 0.468 5.128 4.660 -0.000 0.000 0.326 1590 W C -0.576 175.903 176.519 -0.066 0.000 1.024 1590 W CA -0.502 56.812 57.345 -0.053 0.000 1.267 1590 W CB 1.487 30.889 29.460 -0.097 0.000 1.267 1590 W HN 0.818 nan 8.180 nan 0.000 0.412 1591 G N 3.297 111.839 108.800 -0.431 0.000 2.440 1591 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.684 1591 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.684 1591 G C -1.378 173.389 174.900 -0.222 0.000 1.309 1591 G CA -1.082 43.804 45.100 -0.356 0.000 0.931 1591 G HN 0.248 nan 8.290 nan 0.000 0.612 1592 E N 0.767 120.857 120.200 -0.184 0.000 2.249 1592 E HA 0.334 4.684 4.350 -0.000 0.000 0.280 1592 E C 0.546 177.085 176.600 -0.102 0.000 1.016 1592 E CA -0.476 55.841 56.400 -0.139 0.000 0.830 1592 E CB 1.400 31.025 29.700 -0.125 0.000 1.081 1592 E HN 0.525 nan 8.360 nan 0.000 0.395 1593 K N 2.445 122.786 120.400 -0.098 0.000 2.380 1593 K HA 0.061 4.381 4.320 -0.000 0.000 0.267 1593 K C -1.553 175.013 176.600 -0.057 0.000 0.990 1593 K CA -1.033 55.208 56.287 -0.077 0.000 0.946 1593 K CB 0.061 32.510 32.500 -0.085 0.000 0.937 1593 K HN 0.178 nan 8.250 nan 0.000 0.491 1594 P HA 0.048 nan 4.420 nan 0.000 0.253 1594 P C -0.828 176.458 177.300 -0.025 0.000 1.260 1594 P CA 0.324 63.406 63.100 -0.031 0.000 0.800 1594 P CB 0.197 31.887 31.700 -0.017 0.000 1.162 1595 N N 0.686 119.366 118.700 -0.033 0.000 3.303 1595 N HA 0.120 4.860 4.740 -0.000 0.000 0.304 1595 N C -0.122 175.368 175.510 -0.034 0.000 1.302 1595 N CA 0.138 53.174 53.050 -0.024 0.000 1.213 1595 N CB -0.399 38.073 38.487 -0.025 0.000 1.481 1595 N HN 0.235 nan 8.380 nan 0.000 0.546 1596 L N -0.003 121.199 121.223 -0.034 0.000 2.418 1596 L HA 0.363 4.703 4.340 -0.000 0.000 0.265 1596 L C 0.322 177.156 176.870 -0.060 0.000 1.143 1596 L CA -0.144 54.665 54.840 -0.051 0.000 0.809 1596 L CB 0.836 42.859 42.059 -0.059 0.000 1.124 1596 L HN 0.075 nan 8.230 nan 0.000 0.456 1597 S N 0.733 116.386 115.700 -0.078 0.000 2.776 1597 S HA 0.405 4.875 4.470 -0.000 0.000 0.284 1597 S C -0.928 173.548 174.600 -0.207 0.000 1.160 1597 S CA -0.654 57.506 58.200 -0.068 0.000 1.051 1597 S CB 0.694 63.949 63.200 0.091 0.000 1.037 1597 S HN 0.224 nan 8.310 nan 0.000 0.485 1598 Y N 2.430 122.427 120.300 -0.506 0.000 2.480 1598 Y HA 0.237 4.787 4.550 -0.000 0.000 0.338 1598 Y C 0.684 176.383 175.900 -0.336 0.000 1.220 1598 Y CA -0.207 57.477 58.100 -0.695 0.000 1.430 1598 Y CB 0.371 37.962 38.460 -1.450 0.000 1.311 1598 Y HN 0.405 nan 8.280 nan 0.000 0.575 1599 I N 4.464 125.023 120.570 -0.017 0.000 2.406 1599 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 1599 I C -0.152 176.057 176.117 0.153 0.000 0.999 1599 I CA -0.979 60.348 61.300 0.046 0.000 1.124 1599 I CB 1.455 39.438 38.000 -0.028 0.000 1.289 1599 I HN 0.548 nan 8.210 nan 0.000 0.441 1600 I N 5.998 126.661 120.570 0.155 0.000 2.227 1600 I HA 0.179 4.348 4.170 -0.000 0.000 0.297 1600 I C 1.182 177.350 176.117 0.086 0.000 1.173 1600 I CA -0.020 61.360 61.300 0.133 0.000 1.356 1600 I CB -0.101 37.925 38.000 0.042 0.000 1.485 1600 I HN 0.646 nan 8.210 nan 0.000 0.604 1601 G N 3.964 112.821 108.800 0.094 0.000 2.535 1601 G HA2 0.167 4.126 3.960 -0.000 0.000 0.282 1601 G HA3 0.167 4.126 3.960 -0.000 0.000 0.282 1601 G C 0.908 175.849 174.900 0.069 0.000 1.350 1601 G CA -0.595 44.543 45.100 0.064 0.000 1.039 1601 G HN 0.719 nan 8.290 nan 0.000 0.509 1602 K N -1.329 119.093 120.400 0.037 0.000 2.515 1602 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 1602 K C -0.186 176.448 176.600 0.055 0.000 1.038 1602 K CA 1.167 57.462 56.287 0.014 0.000 0.967 1602 K CB 0.276 32.765 32.500 -0.018 0.000 0.780 1602 K HN 0.171 nan 8.250 nan 0.000 0.483 1603 D N 1.134 121.586 120.400 0.087 0.000 2.593 1603 D HA 0.080 4.720 4.640 -0.000 0.000 0.241 1603 D C -0.829 175.552 176.300 0.135 0.000 1.257 1603 D CA 0.007 54.078 54.000 0.118 0.000 0.828 1603 D CB 1.168 42.038 40.800 0.117 0.000 1.049 1603 D HN 0.018 nan 8.370 nan 0.000 0.490 1604 T N 0.870 115.491 114.554 0.111 0.000 2.772 1604 T HA 0.103 4.453 4.350 -0.000 0.000 0.288 1604 T C -0.355 174.310 174.700 -0.059 0.000 0.994 1604 T CA -0.695 61.443 62.100 0.062 0.000 0.951 1604 T CB 1.424 70.358 68.868 0.109 0.000 0.933 1604 T HN 0.119 nan 8.240 nan 0.000 0.447 1605 W N 4.999 125.993 121.300 -0.509 0.000 2.238 1605 W HA 0.490 5.150 4.660 -0.000 0.000 0.321 1605 W C -1.539 174.582 176.519 -0.664 0.000 1.293 1605 W CA -0.397 56.465 57.345 -0.805 0.000 1.204 1605 W CB 0.501 28.795 29.460 -1.943 0.000 1.167 1605 W HN 0.284 nan 8.180 nan 0.000 0.553 1606 V N 5.936 125.273 119.914 -0.962 0.000 2.612 1606 V HA 0.244 4.364 4.120 -0.000 0.000 0.301 1606 V C -0.676 174.992 176.094 -0.709 0.000 1.059 1606 V CA -0.813 61.066 62.300 -0.702 0.000 0.886 1606 V CB 1.758 33.106 31.823 -0.791 0.000 1.007 1606 V HN 0.547 nan 8.190 nan 0.000 0.426 1607 E N 2.549 122.612 120.200 -0.229 0.000 2.292 1607 E HA 0.437 4.786 4.350 -0.000 0.000 0.272 1607 E C -1.267 175.477 176.600 0.239 0.000 0.881 1607 E CA -0.863 55.515 56.400 -0.037 0.000 0.754 1607 E CB 1.863 31.652 29.700 0.148 0.000 1.201 1607 E HN 0.873 nan 8.360 nan 0.000 0.425 1608 H N 4.030 123.178 119.070 0.130 0.000 2.848 1608 H HA 0.063 4.619 4.556 -0.000 0.000 0.317 1608 H C -1.187 174.171 175.328 0.051 0.000 1.046 1608 H CA -0.006 56.093 56.048 0.084 0.000 1.470 1608 H CB 0.541 30.321 29.762 0.030 0.000 1.483 1608 H HN 0.352 nan 8.280 nan 0.000 0.548 1609 W N 9.246 130.159 121.300 -0.645 0.000 2.288 1609 W HA 0.280 4.940 4.660 -0.000 0.000 0.325 1609 W C -2.782 173.448 176.519 -0.483 0.000 1.019 1609 W CA -3.044 54.074 57.345 -0.379 0.000 1.403 1609 W CB 0.733 30.069 29.460 -0.207 0.000 1.226 1609 W HN 0.632 nan 8.180 nan 0.000 0.391 1610 P HA -0.084 nan 4.420 nan 0.000 0.261 1610 P C 0.139 177.525 177.300 0.142 0.000 1.183 1610 P CA 0.832 63.953 63.100 0.036 0.000 0.761 1610 P CB 0.614 32.316 31.700 0.003 0.000 0.785 1611 E N 1.993 122.271 120.200 0.130 0.000 2.416 1611 E HA -0.101 4.249 4.350 -0.000 0.000 0.254 1611 E C 1.240 177.889 176.600 0.083 0.000 1.241 1611 E CA -0.269 56.198 56.400 0.112 0.000 0.969 1611 E CB 0.485 30.258 29.700 0.122 0.000 0.999 1611 E HN 0.345 nan 8.360 nan 0.000 0.481 1612 E N 0.972 121.201 120.200 0.048 0.000 2.013 1612 E HA -0.273 4.077 4.350 -0.000 0.000 0.202 1612 E C 1.292 177.917 176.600 0.042 0.000 1.018 1612 E CA 2.521 58.947 56.400 0.043 0.000 0.834 1612 E CB -0.264 29.449 29.700 0.022 0.000 0.770 1612 E HN 0.648 nan 8.360 nan 0.000 0.459 1613 D N -0.184 120.239 120.400 0.039 0.000 2.350 1613 D HA -0.159 4.481 4.640 -0.000 0.000 0.216 1613 D C 1.193 177.513 176.300 0.035 0.000 0.968 1613 D CA 0.967 54.987 54.000 0.033 0.000 0.894 1613 D CB -0.408 40.410 40.800 0.031 0.000 0.909 1613 D HN 0.470 nan 8.370 nan 0.000 0.520 1614 E N -0.699 119.528 120.200 0.045 0.000 2.385 1614 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 1614 E C 0.750 177.369 176.600 0.032 0.000 1.013 1614 E CA 0.131 56.558 56.400 0.045 0.000 0.866 1614 E CB 0.089 29.831 29.700 0.070 0.000 0.832 1614 E HN 0.258 nan 8.360 nan 0.000 0.500 1615 c N 2.079 120.697 118.600 0.029 0.000 2.379 1615 c HA 0.113 4.682 4.570 -0.000 0.000 0.346 1615 c C 1.312 175.408 174.090 0.009 0.000 1.305 1615 c CA -0.041 56.294 56.329 0.011 0.000 1.657 1615 c CB -1.024 41.494 42.510 0.012 0.000 1.739 1615 c HN 0.335 nan 8.230 nan 0.000 0.594 1616 Q N -0.238 119.569 119.800 0.012 0.000 2.214 1616 Q HA 0.147 4.486 4.340 -0.000 0.000 0.229 1616 Q C -0.327 175.677 176.000 0.007 0.000 0.835 1616 Q CA 0.323 56.132 55.803 0.010 0.000 0.953 1616 Q CB 0.314 29.060 28.738 0.013 0.000 1.131 1616 Q HN 0.586 nan 8.270 nan 0.000 0.501 1617 D N 2.089 122.493 120.400 0.006 0.000 2.341 1617 D HA -0.016 4.624 4.640 -0.000 0.000 0.245 1617 D C 0.914 177.213 176.300 -0.001 0.000 1.106 1617 D CA 0.011 54.013 54.000 0.003 0.000 0.905 1617 D CB 0.739 41.542 40.800 0.004 0.000 1.202 1617 D HN 0.184 nan 8.370 nan 0.000 0.426 1618 E N 0.104 120.303 120.200 -0.002 0.000 2.357 1618 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 1618 E C 0.037 176.633 176.600 -0.007 0.000 1.177 1618 E CA 0.608 57.005 56.400 -0.004 0.000 0.998 1618 E CB -0.114 29.585 29.700 -0.003 0.000 1.106 1618 E HN 0.478 nan 8.360 nan 0.000 0.470 1619 E N -0.274 119.921 120.200 -0.008 0.000 2.535 1619 E HA 0.096 4.446 4.350 -0.000 0.000 0.216 1619 E C 0.806 177.396 176.600 -0.015 0.000 0.845 1619 E CA -0.071 56.322 56.400 -0.011 0.000 1.306 1619 E CB 0.426 30.120 29.700 -0.011 0.000 1.291 1619 E HN 0.129 nan 8.360 nan 0.000 0.635 1620 N N 0.761 119.452 118.700 -0.015 0.000 2.250 1620 N HA 0.039 4.779 4.740 -0.000 0.000 0.190 1620 N C 1.325 176.813 175.510 -0.037 0.000 1.116 1620 N CA 0.262 53.297 53.050 -0.025 0.000 0.881 1620 N CB 0.360 38.840 38.487 -0.013 0.000 1.006 1620 N HN 0.108 nan 8.380 nan 0.000 0.491 1621 Q N 0.498 120.284 119.800 -0.025 0.000 2.135 1621 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 1621 Q C 1.516 177.497 176.000 -0.032 0.000 0.981 1621 Q CA 1.320 57.108 55.803 -0.024 0.000 0.856 1621 Q CB 0.025 28.755 28.738 -0.013 0.000 0.902 1621 Q HN 0.069 nan 8.270 nan 0.000 0.425 1622 K N 0.892 121.274 120.400 -0.030 0.000 2.217 1622 K HA -0.148 4.171 4.320 -0.000 0.000 0.202 1622 K C 1.798 178.370 176.600 -0.048 0.000 1.051 1622 K CA 1.191 57.460 56.287 -0.030 0.000 0.952 1622 K CB 0.082 32.569 32.500 -0.022 0.000 0.736 1622 K HN 0.180 nan 8.250 nan 0.000 0.453 1623 Q N -1.054 118.705 119.800 -0.068 0.000 2.134 1623 Q HA -0.055 4.285 4.340 -0.000 0.000 0.195 1623 Q C 1.868 177.760 176.000 -0.180 0.000 0.958 1623 Q CA 1.280 57.018 55.803 -0.109 0.000 0.840 1623 Q CB -0.073 28.602 28.738 -0.106 0.000 0.918 1623 Q HN 0.371 nan 8.270 nan 0.000 0.467 1624 c N 1.196 119.691 118.600 -0.174 0.000 2.425 1624 c HA -0.107 4.463 4.570 -0.000 0.000 0.277 1624 c C 2.558 176.568 174.090 -0.133 0.000 1.280 1624 c CA 0.792 56.993 56.329 -0.214 0.000 1.744 1624 c CB -0.824 41.612 42.510 -0.124 0.000 1.989 1624 c HN 0.598 nan 8.230 nan 0.000 0.491 1625 Q N 0.603 120.359 119.800 -0.074 0.000 2.124 1625 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 1625 Q C 1.667 177.653 176.000 -0.023 0.000 0.977 1625 Q CA 1.548 57.333 55.803 -0.030 0.000 0.850 1625 Q CB -0.192 28.536 28.738 -0.017 0.000 0.901 1625 Q HN 0.658 nan 8.270 nan 0.000 0.429 1626 D N 0.658 121.029 120.400 -0.049 0.000 2.084 1626 D HA -0.116 4.523 4.640 -0.000 0.000 0.196 1626 D C 1.969 178.263 176.300 -0.010 0.000 0.985 1626 D CA 0.934 54.918 54.000 -0.026 0.000 0.826 1626 D CB -0.252 40.519 40.800 -0.049 0.000 0.978 1626 D HN 0.168 nan 8.370 nan 0.000 0.456 1627 L N 0.590 121.725 121.223 -0.147 0.000 2.046 1627 L HA -0.079 4.260 4.340 -0.000 0.000 0.208 1627 L C 2.562 179.488 176.870 0.093 0.000 1.077 1627 L CA 1.435 56.154 54.840 -0.201 0.000 0.747 1627 L CB -0.910 40.602 42.059 -0.912 0.000 0.896 1627 L HN 0.102 nan 8.230 nan 0.000 0.432 1628 G N -0.162 108.671 108.800 0.054 0.000 2.459 1628 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.217 1628 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.217 1628 G C 1.763 176.761 174.900 0.164 0.000 1.183 1628 G CA 0.907 46.103 45.100 0.161 0.000 0.776 1628 G HN 0.470 nan 8.290 nan 0.000 0.552 1629 A N 0.112 123.005 122.820 0.121 0.000 1.972 1629 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 1629 A C 2.165 179.830 177.584 0.134 0.000 1.169 1629 A CA 1.594 53.695 52.037 0.107 0.000 0.635 1629 A CB -0.521 18.524 19.000 0.074 0.000 0.810 1629 A HN 0.434 nan 8.150 nan 0.000 0.446 1630 F N 1.372 121.343 119.950 0.034 0.000 2.069 1630 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 1630 F C 2.465 178.307 175.800 0.070 0.000 1.113 1630 F CA 2.403 60.422 58.000 0.031 0.000 1.214 1630 F CB -0.719 38.295 39.000 0.024 0.000 0.978 1630 F HN 0.204 nan 8.300 nan 0.000 0.474 1631 T N 0.354 115.034 114.554 0.211 0.000 2.652 1631 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 1631 T C 1.741 176.437 174.700 -0.007 0.000 1.039 1631 T CA 1.926 64.094 62.100 0.114 0.000 1.153 1631 T CB -0.414 68.625 68.868 0.285 0.000 0.863 1631 T HN 0.407 nan 8.240 nan 0.000 0.428 1632 E N 0.829 121.057 120.200 0.048 0.000 2.077 1632 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 1632 E C 2.468 179.098 176.600 0.050 0.000 0.989 1632 E CA 1.230 57.656 56.400 0.044 0.000 0.800 1632 E CB -0.229 29.516 29.700 0.076 0.000 0.746 1632 E HN 0.337 nan 8.360 nan 0.000 0.452 1633 S N -0.053 115.665 115.700 0.030 0.000 2.402 1633 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 1633 S C 1.839 176.428 174.600 -0.018 0.000 1.021 1633 S CA 0.838 59.082 58.200 0.073 0.000 0.974 1633 S CB 0.058 63.225 63.200 -0.055 0.000 0.800 1633 S HN 0.132 nan 8.310 nan 0.000 0.484 1634 M N 0.443 119.913 119.600 -0.218 0.000 2.476 1634 M HA 0.145 4.625 4.480 -0.000 0.000 0.262 1634 M C 1.852 178.070 176.300 -0.136 0.000 1.111 1634 M CA 0.627 55.761 55.300 -0.276 0.000 1.127 1634 M CB -0.594 31.674 32.600 -0.553 0.000 1.376 1634 M HN 0.222 nan 8.290 nan 0.000 0.465 1635 V N -0.896 118.965 119.914 -0.089 0.000 2.492 1635 V HA -0.059 4.061 4.120 -0.000 0.000 0.241 1635 V C 2.364 178.407 176.094 -0.086 0.000 1.041 1635 V CA 0.740 63.002 62.300 -0.064 0.000 1.057 1635 V CB -0.098 31.700 31.823 -0.041 0.000 0.711 1635 V HN 0.115 nan 8.190 nan 0.000 0.468 1636 V N -0.380 119.465 119.914 -0.115 0.000 2.283 1636 V HA -0.147 3.973 4.120 -0.000 0.000 0.243 1636 V C 2.074 177.928 176.094 -0.400 0.000 1.039 1636 V CA 2.264 64.380 62.300 -0.306 0.000 1.016 1636 V CB -0.587 30.950 31.823 -0.477 0.000 0.650 1636 V HN 0.482 nan 8.190 nan 0.000 0.449 1637 F N 0.085 119.994 119.950 -0.068 0.000 2.505 1637 F HA 0.533 5.059 4.527 -0.000 0.000 0.289 1637 F C 1.540 177.294 175.800 -0.077 0.000 1.101 1637 F CA 0.667 58.627 58.000 -0.066 0.000 1.446 1637 F CB -0.592 38.367 39.000 -0.067 0.000 1.123 1637 F HN 0.307 nan 8.300 nan 0.000 0.564 1638 G N 0.057 108.901 108.800 0.072 0.000 2.860 1638 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.553 1638 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.553 1638 G C -0.461 174.421 174.900 -0.030 0.000 1.439 1638 G CA -1.146 43.944 45.100 -0.016 0.000 0.879 1638 G HN 0.297 nan 8.290 nan 0.000 0.545 1639 c N 3.033 121.587 118.600 -0.076 0.000 2.523 1639 c HA 0.344 4.914 4.570 -0.000 0.000 0.406 1639 c C -0.470 173.589 174.090 -0.052 0.000 1.449 1639 c CA -0.015 56.261 56.329 -0.088 0.000 1.588 1639 c CB -0.432 42.017 42.510 -0.101 0.000 2.514 1639 c HN 0.732 nan 8.230 nan 0.000 0.606 1640 P HA 0.194 nan 4.420 nan 0.000 0.271 1640 P C -0.137 177.140 177.300 -0.038 0.000 1.216 1640 P CA 0.254 63.328 63.100 -0.043 0.000 0.776 1640 P CB 0.426 32.089 31.700 -0.062 0.000 0.881 1641 N N 0.000 118.685 118.700 -0.026 0.000 1.763 1641 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1641 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 1641 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667