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 2a73_1_B DATA FIRST_RESID 651 DATA SEQUENCE VQLTEKRMDK VGKYPKELRK ccEDGMRENP MRFScQRRTR FISLGEAcKK DATA SEQUENCE VFLDccNYIT ELRRQHARAX XXXXXXXXLD EDIIAEENIV SRSEFPESWL DATA SEQUENCE WNVEDLKEPP KNGISTKLMN IFLKDSITTW EILAVSMSDK KGICVADPFE DATA SEQUENCE VTVMQDFFID LRLPYSVVRN EQVEIRAVLY NYRQNQELKV RVELLHNPAF DATA SEQUENCE cSLATTKRRH QQTVTIPPKS SLSVPYVIVP LKTGLQEVEV KAAVYHHFIS DATA SEQUENCE DGVRKSLKVV PEGIRMNKTV AVRTLDPERL GREGVQKEDI PPADLSDQVP DATA SEQUENCE DTESETRILL QGTPVAQMTE DAVDAERLKH LIVTPSGCGE QNMIGMTPTV DATA SEQUENCE IAVHYLDETE QWEKFGLEKR QGALELIKKG YTQQLAFRQP SSAFAAFVKR DATA SEQUENCE APSTWLTAYV VKVFSLAVNL IAIDSQVLcG AVKWLILEKQ KPDGVFQEDA DATA SEQUENCE PVIHQEXXXX XXNNNEKDMA LTAFVLISLQ EAKDIcEEQV NSLPGSITKA DATA SEQUENCE GDFLEANYMN LQRSYTVAIA GYALAQMGRL KGPLLNKFLT TAKDKNRWED DATA SEQUENCE PGKQLYNVEA TSYALLALLQ LKDFDFVPPV VRWLNEQRYY GGGYGSTQAT DATA SEQUENCE FMVFQALAQY QKDAPDHQEL NLDVSLQLPS RSSKITHRIH WESASLLRSE DATA SEQUENCE ETKENEGFTV TAEGKGQGTL SVVTMYHAKA KDQLTcNKFD LKVTIKPAPE DATA SEQUENCE TEKRPQDAKN TMILEIcTRY RGDQDATMSI LDISMMTGFA PDTDDLKQLA DATA SEQUENCE NGVDRYISKY ELDKAFSDRN TLIIYLDKVS HSEDDcLAFK VHQYFNVELI DATA SEQUENCE QPGAVKVYAY YNLEEScTRF YHPEKEDGKL NKLcRDELcR cAEENcFIQK DATA SEQUENCE SDDKVTLEER LDKAcEPGVD YVYKTRLVKV QLSNDFDEYI MAIEQTIKSG DATA SEQUENCE SDEVQVGQQR TFISPIKcRE ALKLEEKKHY LMWGLSSDFW GEKPNLSYII DATA SEQUENCE GKDTWVEHWP EEDEcQDEEN QKQcQDLGAF TESMVVFGcP N 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 651 V HA 0.000 nan 4.120 nan 0.000 0.244 651 V C 0.000 176.180 176.094 0.143 0.000 1.182 651 V CA 0.000 62.434 62.300 0.224 0.000 1.235 651 V CB 0.000 31.881 31.823 0.097 0.000 1.184 652 Q N -0.351 119.501 119.800 0.087 0.000 2.652 652 Q HA 0.612 4.953 4.340 0.000 0.000 0.211 652 Q C 1.294 177.299 176.000 0.008 0.000 0.858 652 Q CA 1.042 56.872 55.803 0.046 0.000 0.895 652 Q CB 0.514 29.273 28.738 0.035 0.000 1.194 652 Q HN 0.247 nan 8.270 nan 0.000 0.645 653 L N -0.771 120.431 121.223 -0.036 0.000 3.530 653 L HA -0.404 3.936 4.340 0.000 0.000 0.357 653 L C 1.523 178.375 176.870 -0.031 0.000 2.051 653 L CA 2.690 57.475 54.840 -0.091 0.000 2.804 653 L CB -1.895 40.031 42.059 -0.222 0.000 1.640 653 L HN 0.425 nan 8.230 nan 0.000 0.757 654 T N -1.007 113.540 114.554 -0.012 0.000 2.915 654 T HA -0.120 4.231 4.350 0.000 0.000 0.269 654 T C 1.402 176.110 174.700 0.012 0.000 1.071 654 T CA 1.815 63.916 62.100 0.002 0.000 1.132 654 T CB -0.161 68.711 68.868 0.008 0.000 0.878 654 T HN 0.618 nan 8.240 nan 0.000 0.479 655 E N 0.041 120.252 120.200 0.018 0.000 2.251 655 E HA 0.125 4.476 4.350 0.000 0.000 0.194 655 E C 2.263 178.885 176.600 0.037 0.000 0.964 655 E CA 0.114 56.529 56.400 0.024 0.000 0.868 655 E CB 0.169 29.883 29.700 0.023 0.000 0.828 655 E HN 0.068 nan 8.360 nan 0.000 0.481 656 K N 0.961 121.392 120.400 0.052 0.000 2.097 656 K HA -0.023 4.297 4.320 0.000 0.000 0.206 656 K C 0.867 177.543 176.600 0.127 0.000 1.049 656 K CA 0.684 57.035 56.287 0.107 0.000 0.933 656 K CB -0.100 32.472 32.500 0.121 0.000 0.717 656 K HN 0.067 nan 8.250 nan 0.000 0.442 657 R N 0.492 121.043 120.500 0.086 0.000 2.738 657 R HA -0.041 4.300 4.340 0.000 0.000 0.268 657 R C 1.250 177.561 176.300 0.019 0.000 1.062 657 R CA 0.584 56.713 56.100 0.050 0.000 1.158 657 R CB 0.254 30.571 30.300 0.027 0.000 1.046 657 R HN 0.225 nan 8.270 nan 0.000 0.493 658 M N 0.083 119.682 119.600 -0.000 0.000 2.872 658 M HA -0.351 4.129 4.480 0.000 0.000 0.170 658 M C -0.025 176.274 176.300 -0.002 0.000 0.663 658 M CA 2.156 57.455 55.300 -0.002 0.000 0.650 658 M CB -0.831 31.771 32.600 0.004 0.000 2.358 658 M HN 0.648 nan 8.290 nan 0.000 0.271 659 D N 0.380 120.778 120.400 -0.004 0.000 2.183 659 D HA -0.019 4.621 4.640 0.000 0.000 0.203 659 D C 1.727 177.998 176.300 -0.048 0.000 0.969 659 D CA 1.099 55.091 54.000 -0.014 0.000 0.842 659 D CB -0.042 40.760 40.800 0.002 0.000 0.957 659 D HN 0.440 nan 8.370 nan 0.000 0.484 660 K N 0.326 120.669 120.400 -0.094 0.000 2.167 660 K HA 0.041 4.361 4.320 0.000 0.000 0.203 660 K C 1.876 178.494 176.600 0.030 0.000 1.052 660 K CA 0.248 56.447 56.287 -0.145 0.000 0.956 660 K CB -0.106 32.160 32.500 -0.390 0.000 0.735 660 K HN 0.077 nan 8.250 nan 0.000 0.451 661 V N 0.412 120.329 119.914 0.005 0.000 3.141 661 V HA -0.095 4.026 4.120 0.000 0.000 0.265 661 V C 2.268 178.405 176.094 0.072 0.000 1.126 661 V CA 1.583 63.905 62.300 0.038 0.000 1.141 661 V CB -0.859 30.959 31.823 -0.008 0.000 0.743 661 V HN 0.304 nan 8.190 nan 0.000 0.492 662 G N 0.593 109.417 108.800 0.040 0.000 2.421 662 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 662 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 662 G C 0.967 175.883 174.900 0.027 0.000 1.171 662 G CA 0.441 45.555 45.100 0.023 0.000 0.775 662 G HN 0.472 nan 8.290 nan 0.000 0.543 663 K N -1.279 119.129 120.400 0.014 0.000 2.273 663 K HA 0.486 4.806 4.320 0.000 0.000 0.240 663 K C -0.645 176.002 176.600 0.079 0.000 1.056 663 K CA -0.407 55.839 56.287 -0.069 0.000 0.910 663 K CB -0.109 32.226 32.500 -0.275 0.000 1.196 663 K HN 0.327 nan 8.250 nan 0.000 0.509 664 Y N -2.364 117.917 120.300 -0.032 0.000 2.561 664 Y HA -0.209 4.341 4.550 0.001 0.000 0.022 664 Y C -2.137 173.755 175.900 -0.013 0.000 1.761 664 Y CA -0.719 57.369 58.100 -0.021 0.000 1.381 664 Y CB -1.424 37.022 38.460 -0.023 0.000 2.030 664 Y HN 0.554 nan 8.280 nan 0.000 0.262 665 P HA -0.006 nan 4.420 nan 0.000 0.273 665 P C 0.563 177.908 177.300 0.075 0.000 1.258 665 P CA -0.078 63.069 63.100 0.078 0.000 0.802 665 P CB 0.818 32.556 31.700 0.063 0.000 1.040 666 K N 0.430 120.858 120.400 0.047 0.000 2.057 666 K HA -0.145 4.175 4.320 0.000 0.000 0.207 666 K C 1.413 178.034 176.600 0.035 0.000 1.049 666 K CA 1.671 57.980 56.287 0.037 0.000 0.931 666 K CB -0.579 31.936 32.500 0.025 0.000 0.714 666 K HN 0.267 nan 8.250 nan 0.000 0.440 667 E N -0.105 120.117 120.200 0.036 0.000 2.438 667 E HA -0.014 4.336 4.350 0.000 0.000 0.192 667 E C 0.396 177.015 176.600 0.031 0.000 1.110 667 E CA 0.234 56.652 56.400 0.030 0.000 0.893 667 E CB 0.264 29.981 29.700 0.029 0.000 0.990 667 E HN 0.173 nan 8.360 nan 0.000 0.490 668 L N -1.192 120.051 121.223 0.035 0.000 3.406 668 L HA 0.168 4.508 4.340 0.000 0.000 0.309 668 L C 1.622 178.477 176.870 -0.026 0.000 1.159 668 L CA 0.319 55.172 54.840 0.021 0.000 1.122 668 L CB 0.299 42.399 42.059 0.068 0.000 1.633 668 L HN -0.146 nan 8.230 nan 0.000 0.607 669 R N -0.171 120.327 120.500 -0.003 0.000 2.241 669 R HA -0.172 4.168 4.340 0.000 0.000 0.224 669 R C 1.821 178.101 176.300 -0.034 0.000 1.101 669 R CA 1.087 57.171 56.100 -0.026 0.000 0.995 669 R CB 0.035 30.340 30.300 0.010 0.000 0.870 669 R HN 0.096 nan 8.270 nan 0.000 0.463 670 K N 0.626 121.019 120.400 -0.012 0.000 2.002 670 K HA -0.121 4.199 4.320 0.000 0.000 0.209 670 K C 1.777 178.387 176.600 0.016 0.000 1.048 670 K CA 1.752 58.042 56.287 0.005 0.000 0.930 670 K CB -0.337 32.173 32.500 0.017 0.000 0.714 670 K HN 0.108 nan 8.250 nan 0.000 0.438 671 c N -0.324 118.285 118.600 0.015 0.000 2.440 671 c HA -0.027 4.543 4.570 0.000 0.000 0.278 671 c C 2.971 177.072 174.090 0.019 0.000 1.295 671 c CA 0.509 56.891 56.329 0.088 0.000 1.738 671 c CB -1.136 41.421 42.510 0.078 0.000 1.987 671 c HN 0.748 nan 8.230 nan 0.000 0.492 672 c N 0.709 119.215 118.600 -0.156 0.000 2.466 672 c HA -0.089 4.481 4.570 0.000 0.000 0.278 672 c C 2.796 176.767 174.090 -0.198 0.000 1.288 672 c CA 1.209 57.369 56.329 -0.282 0.000 1.722 672 c CB -1.366 40.854 42.510 -0.483 0.000 2.017 672 c HN 0.623 nan 8.230 nan 0.000 0.488 673 E N 0.239 120.369 120.200 -0.116 0.000 2.058 673 E HA -0.237 4.113 4.350 0.000 0.000 0.194 673 E C 1.451 178.011 176.600 -0.066 0.000 0.997 673 E CA 1.906 58.263 56.400 -0.072 0.000 0.801 673 E CB -0.190 29.491 29.700 -0.032 0.000 0.746 673 E HN 0.635 nan 8.360 nan 0.000 0.450 674 D N -1.102 119.284 120.400 -0.024 0.000 2.224 674 D HA -0.048 4.592 4.640 0.000 0.000 0.205 674 D C 1.651 177.901 176.300 -0.083 0.000 0.965 674 D CA 0.973 54.999 54.000 0.043 0.000 0.852 674 D CB -0.337 40.573 40.800 0.183 0.000 0.947 674 D HN 0.288 nan 8.370 nan 0.000 0.494 675 G N 0.170 108.693 108.800 -0.461 0.000 2.430 675 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 675 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 675 G C 1.516 176.095 174.900 -0.534 0.000 1.146 675 G CA 0.132 44.507 45.100 -1.209 0.000 0.793 675 G HN 0.127 nan 8.290 nan 0.000 0.537 676 M N 0.313 119.737 119.600 -0.294 0.000 2.213 676 M HA 0.065 4.546 4.480 0.000 0.000 0.263 676 M C 1.505 177.748 176.300 -0.095 0.000 1.062 676 M CA 0.546 55.761 55.300 -0.143 0.000 1.105 676 M CB -0.508 32.042 32.600 -0.084 0.000 1.385 676 M HN 0.077 nan 8.290 nan 0.000 0.417 677 R N 1.203 121.652 120.500 -0.085 0.000 2.817 677 R HA -0.015 4.325 4.340 0.000 0.000 0.264 677 R C 0.453 176.734 176.300 -0.032 0.000 1.009 677 R CA 0.334 56.411 56.100 -0.038 0.000 1.133 677 R CB 0.536 30.832 30.300 -0.006 0.000 1.013 677 R HN 0.307 nan 8.270 nan 0.000 0.453 678 E N 0.578 120.768 120.200 -0.018 0.000 4.517 678 E HA 0.056 4.407 4.350 0.000 0.000 0.408 678 E C -0.383 176.214 176.600 -0.005 0.000 1.456 678 E CA -0.181 56.211 56.400 -0.014 0.000 2.449 678 E CB 0.252 29.940 29.700 -0.020 0.000 1.556 678 E HN 0.387 nan 8.360 nan 0.000 0.781 679 N N -0.491 118.190 118.700 -0.032 0.000 2.406 679 N HA 0.182 4.922 4.740 0.000 0.000 0.283 679 N C -2.368 173.055 175.510 -0.144 0.000 1.074 679 N CA -1.172 51.824 53.050 -0.089 0.000 0.916 679 N CB 1.627 40.066 38.487 -0.080 0.000 1.639 679 N HN 0.057 nan 8.380 nan 0.000 0.485 680 P HA -0.133 nan 4.420 nan 0.000 0.215 680 P C -0.020 177.128 177.300 -0.254 0.000 1.157 680 P CA 1.406 64.389 63.100 -0.195 0.000 0.874 680 P CB 0.176 31.765 31.700 -0.186 0.000 0.790 681 M N -0.577 118.772 119.600 -0.417 0.000 2.202 681 M HA 0.149 4.629 4.480 0.000 0.000 0.316 681 M C 1.642 177.831 176.300 -0.186 0.000 1.138 681 M CA 0.050 55.094 55.300 -0.426 0.000 1.151 681 M CB 0.008 31.999 32.600 -1.015 0.000 1.422 681 M HN -0.138 nan 8.290 nan 0.000 0.471 682 R N 0.403 120.894 120.500 -0.016 0.000 2.346 682 R HA 0.153 4.494 4.340 0.000 0.000 0.199 682 R C -0.422 175.995 176.300 0.195 0.000 1.015 682 R CA 0.079 56.220 56.100 0.069 0.000 1.058 682 R CB -1.048 29.289 30.300 0.061 0.000 0.921 682 R HN 0.442 nan 8.270 nan 0.000 0.475 683 F N 2.374 122.278 119.950 -0.076 0.000 2.623 683 F HA -0.132 4.396 4.527 0.000 0.000 0.381 683 F C 0.911 176.718 175.800 0.012 0.000 1.081 683 F CA -0.230 57.745 58.000 -0.042 0.000 1.293 683 F CB 0.411 39.353 39.000 -0.098 0.000 1.006 683 F HN 0.155 nan 8.300 nan 0.000 0.578 684 S N 2.428 118.209 115.700 0.135 0.000 2.661 684 S HA 0.062 4.533 4.470 0.000 0.000 0.265 684 S C 0.889 175.578 174.600 0.147 0.000 1.225 684 S CA -1.196 57.065 58.200 0.102 0.000 0.986 684 S CB 1.190 64.417 63.200 0.046 0.000 1.008 684 S HN 0.814 nan 8.310 nan 0.000 0.565 685 c N 0.869 119.547 118.600 0.130 0.000 2.462 685 c HA -0.074 4.496 4.570 0.000 0.000 0.278 685 c C 2.864 177.073 174.090 0.199 0.000 1.253 685 c CA 0.827 57.263 56.329 0.179 0.000 1.713 685 c CB -1.510 41.073 42.510 0.123 0.000 2.049 685 c HN 0.871 nan 8.230 nan 0.000 0.477 686 Q N 0.456 120.331 119.800 0.125 0.000 2.124 686 Q HA -0.110 4.231 4.340 0.000 0.000 0.202 686 Q C 2.275 178.329 176.000 0.089 0.000 0.977 686 Q CA 1.042 56.904 55.803 0.098 0.000 0.850 686 Q CB -0.498 28.275 28.738 0.058 0.000 0.901 686 Q HN 0.461 nan 8.270 nan 0.000 0.429 687 R N 0.964 121.503 120.500 0.066 0.000 2.083 687 R HA -0.038 4.302 4.340 0.000 0.000 0.237 687 R C 2.093 178.482 176.300 0.150 0.000 1.137 687 R CA 1.396 57.507 56.100 0.018 0.000 0.951 687 R CB -0.158 30.059 30.300 -0.137 0.000 0.851 687 R HN 0.274 nan 8.270 nan 0.000 0.434 688 R N -0.302 120.340 120.500 0.237 0.000 2.105 688 R HA -0.071 4.269 4.340 0.000 0.000 0.239 688 R C 1.099 177.504 176.300 0.174 0.000 1.135 688 R CA 1.001 57.305 56.100 0.340 0.000 0.967 688 R CB -0.481 30.115 30.300 0.493 0.000 0.861 688 R HN 0.147 nan 8.270 nan 0.000 0.442 689 T N -0.427 114.185 114.554 0.097 0.000 2.734 689 T HA -0.027 4.323 4.350 0.000 0.000 0.314 689 T C 0.695 175.419 174.700 0.040 0.000 1.057 689 T CA 0.146 62.231 62.100 -0.025 0.000 1.047 689 T CB 0.487 69.366 68.868 0.018 0.000 0.991 689 T HN 0.308 nan 8.240 nan 0.000 0.540 690 R N 0.151 120.625 120.500 -0.043 0.000 3.870 690 R HA -0.172 4.168 4.340 0.000 0.000 0.463 690 R C 1.305 177.504 176.300 -0.169 0.000 0.790 690 R CA 1.807 57.856 56.100 -0.086 0.000 1.576 690 R CB -2.339 27.912 30.300 -0.081 0.000 2.233 690 R HN 0.715 nan 8.270 nan 0.000 0.463 691 F N 0.712 120.577 119.950 -0.140 0.000 2.456 691 F HA 0.202 4.729 4.527 0.000 0.000 0.298 691 F C 1.765 177.402 175.800 -0.270 0.000 1.104 691 F CA 0.529 58.403 58.000 -0.211 0.000 1.435 691 F CB 0.171 38.976 39.000 -0.326 0.000 1.078 691 F HN 0.021 nan 8.300 nan 0.000 0.546 692 I N -0.685 119.806 120.570 -0.132 0.000 2.529 692 I HA -0.032 4.138 4.170 0.000 0.000 0.284 692 I C 1.259 177.295 176.117 -0.135 0.000 1.082 692 I CA 0.311 61.484 61.300 -0.213 0.000 1.406 692 I CB 1.081 38.857 38.000 -0.373 0.000 1.405 692 I HN -0.097 nan 8.210 nan 0.000 0.548 693 S N 5.621 121.257 115.700 -0.107 0.000 2.512 693 S HA 0.259 4.729 4.470 0.000 0.000 0.216 693 S C 0.754 175.326 174.600 -0.046 0.000 1.006 693 S CA -0.314 57.845 58.200 -0.068 0.000 0.915 693 S CB 0.049 63.217 63.200 -0.053 0.000 0.824 693 S HN 0.507 nan 8.310 nan 0.000 0.497 694 L N 0.966 122.162 121.223 -0.046 0.000 2.867 694 L HA 0.505 4.845 4.340 0.000 0.000 0.158 694 L C 1.600 178.460 176.870 -0.018 0.000 1.387 694 L CA 0.584 55.410 54.840 -0.023 0.000 1.696 694 L CB -0.853 41.196 42.059 -0.016 0.000 2.480 694 L HN 0.213 nan 8.230 nan 0.000 0.522 695 G N -1.524 107.272 108.800 -0.006 0.000 2.588 695 G HA2 0.132 4.092 3.960 0.000 0.000 0.281 695 G HA3 0.132 4.092 3.960 0.000 0.000 0.281 695 G C 0.400 175.300 174.900 0.001 0.000 1.236 695 G CA -0.247 44.853 45.100 0.001 0.000 0.969 695 G HN 0.543 nan 8.290 nan 0.000 0.504 696 E N -0.556 119.649 120.200 0.007 0.000 2.385 696 E HA 0.017 4.367 4.350 0.000 0.000 0.194 696 E C 2.509 179.126 176.600 0.028 0.000 1.013 696 E CA 0.573 56.980 56.400 0.013 0.000 0.866 696 E CB 0.072 29.780 29.700 0.012 0.000 0.832 696 E HN 0.433 nan 8.360 nan 0.000 0.500 697 A N 0.528 123.367 122.820 0.031 0.000 1.930 697 A HA -0.180 4.140 4.320 0.000 0.000 0.217 697 A C 2.406 180.020 177.584 0.050 0.000 1.175 697 A CA 1.221 53.285 52.037 0.045 0.000 0.627 697 A CB -0.986 18.041 19.000 0.044 0.000 0.815 697 A HN 0.487 nan 8.150 nan 0.000 0.443 698 c N -0.081 118.540 118.600 0.036 0.000 2.440 698 c HA -0.025 4.545 4.570 0.000 0.000 0.278 698 c C 2.631 176.757 174.090 0.060 0.000 1.295 698 c CA 1.396 57.747 56.329 0.037 0.000 1.738 698 c CB -1.100 41.421 42.510 0.017 0.000 1.987 698 c HN 0.602 nan 8.230 nan 0.000 0.492 699 K N 0.456 120.880 120.400 0.040 0.000 2.057 699 K HA -0.159 4.161 4.320 0.000 0.000 0.206 699 K C 2.133 178.799 176.600 0.111 0.000 1.050 699 K CA 1.461 57.780 56.287 0.052 0.000 0.935 699 K CB -0.256 32.252 32.500 0.013 0.000 0.715 699 K HN 0.378 nan 8.250 nan 0.000 0.439 700 K N 1.127 121.580 120.400 0.088 0.000 2.147 700 K HA -0.096 4.225 4.320 0.000 0.000 0.205 700 K C 1.811 178.477 176.600 0.110 0.000 1.049 700 K CA 0.829 57.175 56.287 0.097 0.000 0.936 700 K CB 0.101 32.653 32.500 0.087 0.000 0.722 700 K HN -0.094 nan 8.250 nan 0.000 0.446 701 V N 0.234 120.197 119.914 0.082 0.000 2.346 701 V HA -0.132 3.989 4.120 0.000 0.000 0.244 701 V C 1.872 177.945 176.094 -0.035 0.000 1.037 701 V CA 1.590 63.869 62.300 -0.035 0.000 1.029 701 V CB -0.575 31.127 31.823 -0.202 0.000 0.663 701 V HN 0.294 nan 8.190 nan 0.000 0.454 702 F N 0.377 120.276 119.950 -0.085 0.000 2.091 702 F HA -0.283 4.245 4.527 0.000 0.000 0.299 702 F C 2.130 177.927 175.800 -0.005 0.000 1.103 702 F CA 2.059 60.031 58.000 -0.047 0.000 1.228 702 F CB -0.145 38.845 39.000 -0.016 0.000 0.984 702 F HN 0.116 nan 8.300 nan 0.000 0.477 703 L N 0.438 121.832 121.223 0.286 0.000 2.056 703 L HA -0.195 4.145 4.340 0.000 0.000 0.207 703 L C 1.951 178.879 176.870 0.096 0.000 1.078 703 L CA 2.043 57.005 54.840 0.203 0.000 0.749 703 L CB -1.029 41.135 42.059 0.175 0.000 0.901 703 L HN 0.106 nan 8.230 nan 0.000 0.433 704 D N -1.589 118.861 120.400 0.084 0.000 2.219 704 D HA -0.150 4.491 4.640 0.000 0.000 0.205 704 D C 2.103 178.451 176.300 0.080 0.000 0.970 704 D CA 1.146 55.203 54.000 0.096 0.000 0.851 704 D CB 0.041 40.926 40.800 0.142 0.000 0.943 704 D HN 0.450 nan 8.370 nan 0.000 0.488 705 c N -0.317 118.272 118.600 -0.018 0.000 2.519 705 c HA 0.008 4.579 4.570 0.000 0.000 0.281 705 c C 3.030 177.116 174.090 -0.006 0.000 1.331 705 c CA 0.529 56.830 56.329 -0.046 0.000 1.725 705 c CB -0.943 41.445 42.510 -0.203 0.000 2.079 705 c HN 0.665 nan 8.230 nan 0.000 0.496 706 c N 0.919 119.449 118.600 -0.117 0.000 2.464 706 c HA 0.046 4.616 4.570 0.000 0.000 0.278 706 c C 2.377 176.466 174.090 -0.001 0.000 1.375 706 c CA 0.604 56.877 56.329 -0.092 0.000 1.761 706 c CB -1.660 40.733 42.510 -0.195 0.000 1.944 706 c HN 0.552 nan 8.230 nan 0.000 0.509 707 N N 0.883 119.603 118.700 0.034 0.000 2.094 707 N HA -0.178 4.563 4.740 0.000 0.000 0.191 707 N C 1.470 177.021 175.510 0.068 0.000 1.023 707 N CA 2.029 55.113 53.050 0.057 0.000 0.857 707 N CB -0.810 37.723 38.487 0.077 0.000 1.013 707 N HN 0.843 nan 8.380 nan 0.000 0.426 708 Y N 0.303 120.593 120.300 -0.015 0.000 2.200 708 Y HA -0.094 4.456 4.550 0.000 0.000 0.290 708 Y C 2.207 178.091 175.900 -0.027 0.000 1.137 708 Y CA 1.181 59.275 58.100 -0.011 0.000 1.163 708 Y CB -0.241 38.220 38.460 0.002 0.000 0.988 708 Y HN -0.018 nan 8.280 nan 0.000 0.518 709 I N -0.479 120.106 120.570 0.026 0.000 2.585 709 I HA -0.151 4.020 4.170 0.000 0.000 0.254 709 I C 2.098 178.148 176.117 -0.111 0.000 1.129 709 I CA 1.616 62.875 61.300 -0.069 0.000 1.455 709 I CB -0.491 37.535 38.000 0.044 0.000 1.111 709 I HN 0.189 nan 8.210 nan 0.000 0.433 710 T N 1.000 115.516 114.554 -0.063 0.000 2.962 710 T HA -0.153 4.197 4.350 0.000 0.000 0.270 710 T C 1.558 176.220 174.700 -0.064 0.000 1.088 710 T CA 1.439 63.509 62.100 -0.050 0.000 1.127 710 T CB -0.377 68.481 68.868 -0.018 0.000 0.883 710 T HN 0.633 nan 8.240 nan 0.000 0.493 711 E N 0.755 120.899 120.200 -0.094 0.000 2.230 711 E HA 0.088 4.439 4.350 0.000 0.000 0.192 711 E C 2.126 178.644 176.600 -0.136 0.000 0.987 711 E CA 0.324 56.665 56.400 -0.099 0.000 0.841 711 E CB -0.391 29.251 29.700 -0.097 0.000 0.783 711 E HN 0.362 nan 8.360 nan 0.000 0.481 712 L N 1.221 122.315 121.223 -0.214 0.000 2.095 712 L HA 0.003 4.343 4.340 0.000 0.000 0.204 712 L C 2.792 179.561 176.870 -0.168 0.000 1.080 712 L CA 1.218 55.915 54.840 -0.238 0.000 0.759 712 L CB -0.072 41.759 42.059 -0.380 0.000 0.914 712 L HN 0.197 nan 8.230 nan 0.000 0.439 713 R N -1.016 119.392 120.500 -0.153 0.000 2.240 713 R HA -0.079 4.261 4.340 0.000 0.000 0.203 713 R C 2.061 178.351 176.300 -0.017 0.000 1.011 713 R CA 0.299 56.331 56.100 -0.113 0.000 1.007 713 R CB -0.416 29.817 30.300 -0.111 0.000 0.911 713 R HN 0.155 nan 8.270 nan 0.000 0.468 714 R N 1.142 121.623 120.500 -0.032 0.000 2.285 714 R HA -0.039 4.301 4.340 0.000 0.000 0.213 714 R C 1.267 177.571 176.300 0.007 0.000 1.068 714 R CA 1.183 57.277 56.100 -0.010 0.000 1.004 714 R CB 0.151 30.439 30.300 -0.021 0.000 0.873 714 R HN 0.485 nan 8.270 nan 0.000 0.467 715 Q N -2.030 117.779 119.800 0.015 0.000 2.391 715 Q HA -0.011 4.329 4.340 0.000 0.000 0.211 715 Q C 1.415 177.474 176.000 0.099 0.000 0.908 715 Q CA 0.220 56.045 55.803 0.037 0.000 0.920 715 Q CB 0.330 29.079 28.738 0.019 0.000 1.056 715 Q HN 0.549 nan 8.270 nan 0.000 0.523 716 H N 0.147 119.197 119.070 -0.033 0.000 2.421 716 H HA -0.046 4.510 4.556 0.000 0.000 0.298 716 H C 1.942 177.257 175.328 -0.021 0.000 1.087 716 H CA 0.842 56.874 56.048 -0.026 0.000 1.330 716 H CB 0.432 30.179 29.762 -0.026 0.000 1.388 716 H HN 0.275 nan 8.280 nan 0.000 0.526 717 A N 1.098 123.966 122.820 0.081 0.000 1.972 717 A HA -0.175 4.145 4.320 0.000 0.000 0.219 717 A C 2.369 179.952 177.584 -0.002 0.000 1.169 717 A CA 1.105 53.157 52.037 0.024 0.000 0.635 717 A CB -0.294 18.718 19.000 0.021 0.000 0.810 717 A HN 0.363 nan 8.150 nan 0.000 0.446 718 R N -0.619 119.882 120.500 0.002 0.000 2.075 718 R HA 0.165 4.505 4.340 0.000 0.000 0.232 718 R C 1.018 177.301 176.300 -0.027 0.000 1.126 718 R CA 1.005 57.099 56.100 -0.010 0.000 0.963 718 R CB -0.260 30.039 30.300 -0.003 0.000 0.858 718 R HN 0.522 nan 8.270 nan 0.000 0.435 730 D N 0.944 121.367 120.400 0.039 0.000 2.185 730 D HA 0.471 5.111 4.640 0.000 0.000 0.247 730 D C 0.084 176.423 176.300 0.064 0.000 1.027 730 D CA -0.259 53.779 54.000 0.064 0.000 0.861 730 D CB 2.172 43.043 40.800 0.118 0.000 1.202 730 D HN 0.133 nan 8.370 nan 0.000 0.453 731 E N 0.239 120.465 120.200 0.043 0.000 2.392 731 E HA 0.300 4.651 4.350 0.000 0.000 0.256 731 E C -0.490 176.122 176.600 0.020 0.000 1.145 731 E CA 0.099 56.515 56.400 0.026 0.000 0.929 731 E CB 0.547 30.258 29.700 0.017 0.000 0.998 731 E HN 0.186 nan 8.360 nan 0.000 0.442 732 D N 1.122 121.527 120.400 0.007 0.000 2.934 732 D HA 0.261 4.902 4.640 0.000 0.000 0.249 732 D C -1.370 174.926 176.300 -0.006 0.000 1.293 732 D CA -0.111 53.884 54.000 -0.009 0.000 0.812 732 D CB -0.449 40.340 40.800 -0.019 0.000 1.439 732 D HN 0.367 nan 8.370 nan 0.000 0.555 733 I N -0.467 120.102 120.570 -0.002 0.000 3.466 733 I HA 0.556 4.726 4.170 0.000 0.000 0.311 733 I C -0.006 176.111 176.117 0.000 0.000 1.155 733 I CA -1.463 59.837 61.300 0.000 0.000 0.959 733 I CB 1.824 39.827 38.000 0.004 0.000 1.332 733 I HN -0.083 nan 8.210 nan 0.000 0.483 734 I N 1.084 121.655 120.570 0.001 0.000 2.392 734 I HA 0.403 4.573 4.170 0.000 0.000 0.295 734 I C 0.987 177.107 176.117 0.005 0.000 0.985 734 I CA -0.475 60.826 61.300 0.001 0.000 1.221 734 I CB 1.828 39.827 38.000 -0.001 0.000 1.366 734 I HN 0.733 nan 8.210 nan 0.000 0.467 735 A N 3.522 126.345 122.820 0.005 0.000 2.016 735 A HA 0.025 4.345 4.320 0.000 0.000 0.217 735 A C 0.871 178.459 177.584 0.007 0.000 1.162 735 A CA 0.623 52.664 52.037 0.007 0.000 0.662 735 A CB -0.343 18.661 19.000 0.007 0.000 0.812 735 A HN 0.937 nan 8.150 nan 0.000 0.450 736 E N -1.731 118.473 120.200 0.006 0.000 6.260 736 E HA -0.181 4.169 4.350 0.000 0.000 0.174 736 E C -0.575 176.030 176.600 0.008 0.000 1.475 736 E CA 1.192 57.596 56.400 0.007 0.000 2.515 736 E CB -0.614 29.092 29.700 0.009 0.000 1.897 736 E HN 0.647 nan 8.360 nan 0.000 0.457 737 E N 0.416 120.622 120.200 0.009 0.000 2.331 737 E HA 0.209 4.559 4.350 0.000 0.000 0.275 737 E C -1.192 175.414 176.600 0.010 0.000 0.895 737 E CA -0.716 55.689 56.400 0.009 0.000 0.753 737 E CB 1.413 31.119 29.700 0.009 0.000 1.216 737 E HN 0.483 nan 8.360 nan 0.000 0.434 738 N N 2.125 120.832 118.700 0.010 0.000 2.614 738 N HA -0.184 4.557 4.740 0.000 0.000 0.276 738 N C -1.169 174.348 175.510 0.012 0.000 1.119 738 N CA 0.936 53.993 53.050 0.011 0.000 0.742 738 N CB -0.715 37.778 38.487 0.010 0.000 0.900 738 N HN 0.444 nan 8.380 nan 0.000 0.549 739 I N 0.908 121.486 120.570 0.014 0.000 2.390 739 I HA 0.184 4.354 4.170 0.000 0.000 0.283 739 I C 0.517 176.645 176.117 0.018 0.000 1.016 739 I CA -0.820 60.490 61.300 0.015 0.000 1.151 739 I CB 1.589 39.598 38.000 0.015 0.000 1.293 739 I HN -0.163 nan 8.210 nan 0.000 0.458 740 V N 6.013 125.940 119.914 0.021 0.000 2.221 740 V HA 0.114 4.234 4.120 0.000 0.000 0.258 740 V C 0.880 176.995 176.094 0.035 0.000 1.179 740 V CA -0.269 62.048 62.300 0.029 0.000 1.022 740 V CB -0.060 31.782 31.823 0.031 0.000 1.228 740 V HN 0.908 nan 8.190 nan 0.000 0.487 741 S N 4.017 119.735 115.700 0.029 0.000 2.625 741 S HA 0.618 5.088 4.470 0.000 0.000 0.262 741 S C 0.372 174.985 174.600 0.022 0.000 1.223 741 S CA -0.576 57.636 58.200 0.018 0.000 0.993 741 S CB 0.436 63.639 63.200 0.004 0.000 1.051 741 S HN 0.842 nan 8.310 nan 0.000 0.562 742 R N -0.810 119.675 120.500 -0.025 0.000 1.709 742 R HA -0.145 4.196 4.340 0.000 0.000 0.388 742 R C 0.151 176.430 176.300 -0.036 0.000 1.255 742 R CA 0.854 56.891 56.100 -0.106 0.000 1.080 742 R CB -1.334 28.885 30.300 -0.135 0.000 3.200 742 R HN 0.906 nan 8.270 nan 0.000 0.488 743 S N 2.456 118.101 115.700 -0.091 0.000 2.663 743 S HA 0.069 4.540 4.470 0.000 0.000 0.247 743 S C 0.062 174.659 174.600 -0.005 0.000 1.074 743 S CA 0.275 58.505 58.200 0.050 0.000 0.955 743 S CB 0.224 63.454 63.200 0.049 0.000 0.901 743 S HN 0.578 nan 8.310 nan 0.000 0.505 744 E N 1.534 121.616 120.200 -0.197 0.000 1.944 744 E HA 0.360 4.710 4.350 0.000 0.000 0.272 744 E C -1.280 175.106 176.600 -0.357 0.000 1.195 744 E CA -0.042 56.258 56.400 -0.166 0.000 0.926 744 E CB -0.624 28.997 29.700 -0.132 0.000 1.051 744 E HN 0.364 nan 8.360 nan 0.000 0.404 745 F N 4.493 124.455 119.950 0.020 0.000 2.507 745 F HA 0.471 4.998 4.527 0.000 0.000 0.327 745 F C -1.491 174.345 175.800 0.059 0.000 1.068 745 F CA -2.381 55.632 58.000 0.022 0.000 0.965 745 F CB 1.096 40.112 39.000 0.028 0.000 1.192 745 F HN 0.351 nan 8.300 nan 0.000 0.476 746 P HA 0.026 nan 4.420 nan 0.000 0.266 746 P C -0.852 176.673 177.300 0.375 0.000 1.195 746 P CA -0.075 63.187 63.100 0.270 0.000 0.768 746 P CB 0.542 32.396 31.700 0.257 0.000 0.838 747 E N 0.855 121.234 120.200 0.300 0.000 2.413 747 E HA 0.127 4.477 4.350 0.000 0.000 0.263 747 E C 0.184 176.991 176.600 0.345 0.000 1.015 747 E CA 0.252 56.802 56.400 0.250 0.000 0.916 747 E CB 0.106 29.897 29.700 0.153 0.000 0.947 747 E HN 0.303 nan 8.360 nan 0.000 0.440 748 S N 3.453 119.308 115.700 0.259 0.000 2.572 748 S HA 0.301 4.771 4.470 0.000 0.000 0.279 748 S C -0.346 174.417 174.600 0.271 0.000 1.341 748 S CA -0.497 57.852 58.200 0.248 0.000 1.043 748 S CB 0.182 63.453 63.200 0.117 0.000 0.887 748 S HN 0.530 nan 8.310 nan 0.000 0.516 749 W N 0.359 121.607 121.300 -0.088 0.000 3.098 749 W HA 0.589 5.249 4.660 0.000 0.000 0.367 749 W C -0.861 175.643 176.519 -0.025 0.000 1.163 749 W CA -1.568 55.728 57.345 -0.082 0.000 1.113 749 W CB -0.274 29.062 29.460 -0.208 0.000 1.501 749 W HN 0.541 nan 8.180 nan 0.000 0.598 750 L N 1.404 122.667 121.223 0.067 0.000 3.717 750 L HA -0.225 4.115 4.340 0.000 0.000 0.411 750 L C 0.014 176.882 176.870 -0.003 0.000 1.233 750 L CA 0.275 55.046 54.840 -0.116 0.000 0.917 750 L CB -1.265 40.453 42.059 -0.568 0.000 1.902 750 L HN 0.649 nan 8.230 nan 0.000 0.894 751 W N 2.824 124.087 121.300 -0.061 0.000 1.496 751 W HA 0.346 5.006 4.660 0.000 0.000 0.422 751 W C 0.389 176.891 176.519 -0.029 0.000 0.638 751 W CA 0.234 57.551 57.345 -0.046 0.000 2.105 751 W CB -0.330 29.123 29.460 -0.012 0.000 1.639 751 W HN 0.705 nan 8.180 nan 0.000 0.304 752 N N 0.115 118.704 118.700 -0.184 0.000 2.571 752 N HA 0.602 5.343 4.740 0.000 0.000 0.273 752 N C -1.894 173.472 175.510 -0.240 0.000 1.340 752 N CA -0.848 52.093 53.050 -0.180 0.000 0.789 752 N CB 1.873 40.326 38.487 -0.056 0.000 1.514 752 N HN -0.199 nan 8.380 nan 0.000 0.499 753 V N -0.026 119.777 119.914 -0.184 0.000 2.487 753 V HA 0.517 4.637 4.120 0.000 0.000 0.298 753 V C -0.918 175.106 176.094 -0.116 0.000 1.028 753 V CA -0.633 61.562 62.300 -0.175 0.000 0.860 753 V CB 1.323 33.042 31.823 -0.172 0.000 0.991 753 V HN 0.678 nan 8.190 nan 0.000 0.427 754 E N 2.817 122.950 120.200 -0.111 0.000 2.234 754 E HA 0.461 4.811 4.350 0.000 0.000 0.266 754 E C -1.453 175.099 176.600 -0.079 0.000 0.877 754 E CA -0.683 55.667 56.400 -0.085 0.000 0.758 754 E CB 2.649 32.300 29.700 -0.082 0.000 1.170 754 E HN 0.905 nan 8.360 nan 0.000 0.415 755 D N 1.188 121.549 120.400 -0.064 0.000 2.229 755 D HA 0.441 5.081 4.640 0.000 0.000 0.249 755 D C -0.243 176.026 176.300 -0.051 0.000 1.027 755 D CA -0.676 53.289 54.000 -0.057 0.000 0.923 755 D CB 1.055 41.825 40.800 -0.049 0.000 1.174 755 D HN 0.159 nan 8.370 nan 0.000 0.443 756 L N 1.317 122.511 121.223 -0.049 0.000 2.259 756 L HA 0.348 4.689 4.340 0.000 0.000 0.288 756 L C 0.718 177.566 176.870 -0.038 0.000 1.051 756 L CA -0.434 54.379 54.840 -0.045 0.000 0.824 756 L CB 0.851 42.882 42.059 -0.047 0.000 1.206 756 L HN 0.344 nan 8.230 nan 0.000 0.429 757 K N 0.815 121.194 120.400 -0.035 0.000 2.402 757 K HA 0.184 4.504 4.320 0.000 0.000 0.204 757 K C -0.087 176.497 176.600 -0.027 0.000 1.056 757 K CA -0.088 56.181 56.287 -0.029 0.000 1.069 757 K CB 0.475 32.959 32.500 -0.027 0.000 0.888 757 K HN 0.421 nan 8.250 nan 0.000 0.546 758 E N 1.478 121.660 120.200 -0.029 0.000 2.373 758 E HA 0.090 4.440 4.350 0.000 0.000 0.267 758 E C -2.433 174.152 176.600 -0.025 0.000 1.032 758 E CA -1.846 54.538 56.400 -0.027 0.000 0.889 758 E CB 0.169 29.851 29.700 -0.030 0.000 0.984 758 E HN -0.099 nan 8.360 nan 0.000 0.425 759 P HA 0.004 nan 4.420 nan 0.000 0.260 759 P C -2.378 174.909 177.300 -0.021 0.000 1.185 759 P CA -0.702 62.386 63.100 -0.020 0.000 0.763 759 P CB -0.193 31.497 31.700 -0.017 0.000 0.776 760 P HA 0.116 nan 4.420 nan 0.000 0.271 760 P C -0.643 176.645 177.300 -0.019 0.000 1.216 760 P CA 0.004 63.092 63.100 -0.021 0.000 0.776 760 P CB 0.874 32.562 31.700 -0.021 0.000 0.881 761 K N 2.635 123.023 120.400 -0.020 0.000 2.432 761 K HA 0.209 4.529 4.320 0.000 0.000 0.226 761 K C -0.450 176.140 176.600 -0.017 0.000 1.057 761 K CA -0.490 55.786 56.287 -0.018 0.000 1.034 761 K CB -0.337 32.152 32.500 -0.019 0.000 1.561 761 K HN 0.298 nan 8.250 nan 0.000 0.492 762 N N 1.684 120.374 118.700 -0.016 0.000 2.708 762 N HA -0.229 4.511 4.740 0.000 0.000 0.255 762 N C 0.739 176.239 175.510 -0.017 0.000 1.046 762 N CA 1.332 54.373 53.050 -0.015 0.000 0.715 762 N CB -1.047 37.431 38.487 -0.014 0.000 0.895 762 N HN 0.933 nan 8.380 nan 0.000 0.545 763 G N -0.730 108.059 108.800 -0.019 0.000 2.900 763 G HA2 -0.343 3.617 3.960 0.000 0.000 0.223 763 G HA3 -0.343 3.617 3.960 0.000 0.000 0.223 763 G C 0.225 175.111 174.900 -0.025 0.000 1.293 763 G CA 0.083 45.170 45.100 -0.021 0.000 0.792 763 G HN 0.447 nan 8.290 nan 0.000 0.527 764 I N 2.873 123.429 120.570 -0.025 0.000 2.907 764 I HA 0.187 4.358 4.170 0.000 0.000 0.285 764 I C 0.308 176.407 176.117 -0.031 0.000 1.189 764 I CA 0.916 62.198 61.300 -0.029 0.000 1.376 764 I CB -0.152 37.832 38.000 -0.027 0.000 1.420 764 I HN 0.168 nan 8.210 nan 0.000 0.544 765 S N 5.032 120.711 115.700 -0.035 0.000 2.328 765 S HA 0.209 4.679 4.470 0.000 0.000 0.204 765 S C 0.439 175.013 174.600 -0.043 0.000 1.475 765 S CA -0.546 57.632 58.200 -0.036 0.000 1.148 765 S CB 0.491 63.670 63.200 -0.035 0.000 1.077 765 S HN 0.581 nan 8.310 nan 0.000 0.479 766 T N 3.980 118.508 114.554 -0.043 0.000 2.853 766 T HA 0.125 4.475 4.350 0.000 0.000 0.298 766 T C 0.202 174.871 174.700 -0.051 0.000 0.978 766 T CA 0.201 62.271 62.100 -0.050 0.000 1.152 766 T CB 0.199 69.038 68.868 -0.047 0.000 0.914 766 T HN 0.213 nan 8.240 nan 0.000 0.539 767 K N 5.106 125.470 120.400 -0.060 0.000 2.572 767 K HA 0.291 4.611 4.320 0.000 0.000 0.244 767 K C -0.561 175.998 176.600 -0.068 0.000 0.965 767 K CA -0.525 55.727 56.287 -0.059 0.000 0.943 767 K CB 0.697 33.161 32.500 -0.060 0.000 1.154 767 K HN 0.559 nan 8.250 nan 0.000 0.447 768 L N 3.962 125.147 121.223 -0.062 0.000 2.456 768 L HA 0.263 4.603 4.340 0.000 0.000 0.272 768 L C 0.552 177.380 176.870 -0.069 0.000 1.189 768 L CA 0.517 55.316 54.840 -0.067 0.000 0.846 768 L CB 0.434 42.459 42.059 -0.056 0.000 1.111 768 L HN 0.497 nan 8.230 nan 0.000 0.475 769 M N 3.951 123.504 119.600 -0.079 0.000 2.271 769 M HA 0.371 4.851 4.480 0.000 0.000 0.285 769 M C -1.450 174.796 176.300 -0.091 0.000 1.059 769 M CA -0.470 54.782 55.300 -0.081 0.000 0.940 769 M CB 1.671 34.220 32.600 -0.085 0.000 1.636 769 M HN 0.540 nan 8.290 nan 0.000 0.460 770 N N 5.796 124.433 118.700 -0.106 0.000 2.430 770 N HA 0.753 5.494 4.740 0.000 0.000 0.292 770 N C -1.238 174.142 175.510 -0.216 0.000 1.051 770 N CA -0.156 52.797 53.050 -0.161 0.000 0.917 770 N CB 1.772 40.152 38.487 -0.179 0.000 1.164 770 N HN 0.699 nan 8.380 nan 0.000 0.484 771 I N -2.161 118.248 120.570 -0.269 0.000 3.102 771 I HA 0.567 4.737 4.170 0.000 0.000 0.310 771 I C -1.339 174.563 176.117 -0.358 0.000 1.246 771 I CA -1.051 60.110 61.300 -0.232 0.000 0.979 771 I CB 1.584 39.600 38.000 0.026 0.000 1.267 771 I HN 0.082 nan 8.210 nan 0.000 0.451 772 F N 3.537 123.551 119.950 0.107 0.000 2.388 772 F HA 0.569 5.096 4.527 0.000 0.000 0.358 772 F C 0.049 175.849 175.800 0.001 0.000 1.122 772 F CA -0.655 57.377 58.000 0.052 0.000 1.056 772 F CB 1.212 40.217 39.000 0.008 0.000 1.155 772 F HN 0.226 nan 8.300 nan 0.000 0.461 773 L N 4.717 126.040 121.223 0.167 0.000 2.514 773 L HA 0.050 4.390 4.340 0.000 0.000 0.280 773 L C 0.754 177.493 176.870 -0.218 0.000 1.223 773 L CA -0.318 54.529 54.840 0.011 0.000 0.864 773 L CB 0.080 42.240 42.059 0.170 0.000 1.118 773 L HN 0.473 nan 8.230 nan 0.000 0.494 774 K N 2.198 122.218 120.400 -0.632 0.000 2.397 774 K HA -0.029 4.291 4.320 0.000 0.000 0.265 774 K C 0.285 176.822 176.600 -0.106 0.000 0.982 774 K CA -0.145 55.875 56.287 -0.445 0.000 0.931 774 K CB 0.276 32.410 32.500 -0.610 0.000 0.943 774 K HN 0.620 nan 8.250 nan 0.000 0.501 775 D N -0.415 119.938 120.400 -0.078 0.000 2.676 775 D HA 0.006 4.646 4.640 0.000 0.000 0.239 775 D C -0.574 175.701 176.300 -0.043 0.000 1.213 775 D CA -0.208 53.773 54.000 -0.032 0.000 0.835 775 D CB -0.131 40.656 40.800 -0.021 0.000 1.009 775 D HN 0.039 nan 8.370 nan 0.000 0.479 776 S N 0.176 115.875 115.700 -0.002 0.000 2.462 776 S HA 0.402 4.872 4.470 0.000 0.000 0.294 776 S C 0.528 175.046 174.600 -0.137 0.000 1.144 776 S CA -0.766 57.397 58.200 -0.062 0.000 1.088 776 S CB 1.314 64.532 63.200 0.030 0.000 1.009 776 S HN 0.225 nan 8.310 nan 0.000 0.484 777 I N 3.640 124.041 120.570 -0.281 0.000 2.372 777 I HA 0.210 4.380 4.170 0.000 0.000 0.298 777 I C 0.763 176.683 176.117 -0.329 0.000 1.137 777 I CA 0.295 61.390 61.300 -0.342 0.000 1.314 777 I CB -0.183 37.495 38.000 -0.537 0.000 1.444 777 I HN 0.567 nan 8.210 nan 0.000 0.541 778 T N 2.900 117.251 114.554 -0.338 0.000 2.648 778 T HA 0.371 4.721 4.350 0.000 0.000 0.304 778 T C -0.810 173.645 174.700 -0.408 0.000 1.312 778 T CA -0.427 61.420 62.100 -0.422 0.000 1.023 778 T CB 1.964 70.448 68.868 -0.641 0.000 1.612 778 T HN 0.263 nan 8.240 nan 0.000 0.487 779 T N 2.081 116.390 114.554 -0.410 0.000 2.809 779 T HA 0.511 4.861 4.350 0.000 0.000 0.296 779 T C -1.096 173.449 174.700 -0.258 0.000 1.015 779 T CA -0.234 61.708 62.100 -0.263 0.000 0.954 779 T CB 0.154 68.930 68.868 -0.152 0.000 0.950 779 T HN 0.451 nan 8.240 nan 0.000 0.450 780 W N 1.858 123.181 121.300 0.038 0.000 2.376 780 W HA 0.516 5.176 4.660 0.000 0.000 0.322 780 W C 0.608 177.112 176.519 -0.025 0.000 1.160 780 W CA -0.691 56.697 57.345 0.071 0.000 1.218 780 W CB 0.811 30.390 29.460 0.198 0.000 1.205 780 W HN 0.408 nan 8.180 nan 0.000 0.559 781 E N 2.843 123.211 120.200 0.281 0.000 2.141 781 E HA 0.354 4.704 4.350 0.000 0.000 0.259 781 E C -0.971 175.670 176.600 0.069 0.000 0.883 781 E CA -0.359 56.106 56.400 0.107 0.000 0.744 781 E CB 0.464 30.203 29.700 0.064 0.000 1.150 781 E HN 0.266 nan 8.360 nan 0.000 0.420 782 I N 4.971 125.572 120.570 0.051 0.000 2.337 782 I HA 0.178 4.348 4.170 0.000 0.000 0.291 782 I C -0.609 175.521 176.117 0.022 0.000 1.046 782 I CA -0.651 60.648 61.300 -0.001 0.000 1.324 782 I CB 0.355 38.382 38.000 0.044 0.000 1.409 782 I HN 0.261 nan 8.210 nan 0.000 0.494 783 L N 6.922 128.134 121.223 -0.019 0.000 2.282 783 L HA 0.674 5.014 4.340 0.000 0.000 0.288 783 L C 0.193 177.037 176.870 -0.043 0.000 1.033 783 L CA -0.029 54.805 54.840 -0.011 0.000 0.807 783 L CB 1.535 43.594 42.059 0.001 0.000 1.209 783 L HN 0.661 nan 8.230 nan 0.000 0.423 784 A N 3.479 126.275 122.820 -0.039 0.000 2.355 784 A HA 0.900 5.220 4.320 0.000 0.000 0.317 784 A C -1.176 176.372 177.584 -0.059 0.000 1.094 784 A CA -0.561 51.437 52.037 -0.065 0.000 0.764 784 A CB 1.610 20.570 19.000 -0.066 0.000 1.230 784 A HN 0.383 nan 8.150 nan 0.000 0.448 785 V N 2.418 122.286 119.914 -0.077 0.000 2.488 785 V HA 0.491 4.611 4.120 0.000 0.000 0.293 785 V C 0.321 176.371 176.094 -0.074 0.000 1.027 785 V CA -0.298 61.962 62.300 -0.066 0.000 0.862 785 V CB 1.463 33.247 31.823 -0.064 0.000 1.008 785 V HN 1.129 nan 8.190 nan 0.000 0.428 786 S N 4.969 120.634 115.700 -0.060 0.000 2.646 786 S HA 0.872 5.342 4.470 0.000 0.000 0.276 786 S C -0.542 174.027 174.600 -0.051 0.000 1.222 786 S CA -0.592 57.573 58.200 -0.059 0.000 1.014 786 S CB 1.688 64.857 63.200 -0.052 0.000 0.991 786 S HN 0.787 nan 8.310 nan 0.000 0.533 787 M N 3.354 122.924 119.600 -0.050 0.000 2.134 787 M HA 0.352 4.832 4.480 0.000 0.000 0.249 787 M C -0.912 175.365 176.300 -0.039 0.000 0.955 787 M CA -0.046 55.229 55.300 -0.043 0.000 1.037 787 M CB 1.684 34.256 32.600 -0.046 0.000 2.110 787 M HN 0.850 nan 8.290 nan 0.000 0.449 788 S N 1.585 117.266 115.700 -0.033 0.000 2.451 788 S HA 0.471 4.941 4.470 0.000 0.000 0.301 788 S C 0.262 174.847 174.600 -0.025 0.000 1.116 788 S CA -0.363 57.819 58.200 -0.029 0.000 1.093 788 S CB 0.857 64.040 63.200 -0.028 0.000 1.017 788 S HN 0.761 nan 8.310 nan 0.000 0.482 789 D N 2.481 122.867 120.400 -0.023 0.000 2.378 789 D HA 0.025 4.665 4.640 0.000 0.000 0.227 789 D C 1.140 177.430 176.300 -0.017 0.000 1.012 789 D CA 0.604 54.592 54.000 -0.020 0.000 0.905 789 D CB 0.140 40.928 40.800 -0.019 0.000 0.895 789 D HN 0.563 nan 8.370 nan 0.000 0.532 790 K N -0.431 119.958 120.400 -0.018 0.000 2.262 790 K HA 0.138 4.459 4.320 0.000 0.000 0.200 790 K C 0.938 177.528 176.600 -0.016 0.000 1.058 790 K CA 0.287 56.565 56.287 -0.016 0.000 0.974 790 K CB 0.532 33.022 32.500 -0.017 0.000 0.910 790 K HN -0.129 nan 8.250 nan 0.000 0.484 791 K N 0.106 120.495 120.400 -0.018 0.000 2.501 791 K HA 0.222 4.543 4.320 0.000 0.000 0.204 791 K C 0.240 176.829 176.600 -0.018 0.000 1.067 791 K CA 0.329 56.606 56.287 -0.017 0.000 1.060 791 K CB 1.428 33.918 32.500 -0.018 0.000 0.873 791 K HN 0.382 nan 8.250 nan 0.000 0.540 792 G N 1.734 110.523 108.800 -0.019 0.000 2.568 792 G HA2 -0.284 3.676 3.960 0.000 0.000 0.222 792 G HA3 -0.284 3.676 3.960 0.000 0.000 0.222 792 G C -0.429 174.457 174.900 -0.022 0.000 1.321 792 G CA -0.355 44.734 45.100 -0.019 0.000 0.893 792 G HN 0.196 nan 8.290 nan 0.000 0.569 793 I N -0.247 120.310 120.570 -0.021 0.000 2.612 793 I HA 0.576 4.746 4.170 0.000 0.000 0.295 793 I C 0.182 176.286 176.117 -0.023 0.000 1.011 793 I CA -0.320 60.965 61.300 -0.024 0.000 1.326 793 I CB 1.200 39.187 38.000 -0.022 0.000 1.427 793 I HN 0.942 nan 8.210 nan 0.000 0.537 794 C N 7.368 126.652 119.300 -0.027 0.000 2.892 794 C HA 0.408 4.868 4.460 0.000 0.000 0.360 794 C C -0.762 174.211 174.990 -0.027 0.000 1.054 794 C CA -0.533 58.470 59.018 -0.025 0.000 1.326 794 C CB -0.084 27.640 27.740 -0.027 0.000 1.806 794 C HN 0.497 nan 8.230 nan 0.000 0.490 795 V N 6.325 126.226 119.914 -0.022 0.000 2.427 795 V HA 0.511 4.631 4.120 0.000 0.000 0.268 795 V C 1.135 177.219 176.094 -0.016 0.000 1.046 795 V CA 0.387 62.675 62.300 -0.020 0.000 0.970 795 V CB 0.820 32.635 31.823 -0.014 0.000 1.001 795 V HN 1.027 nan 8.190 nan 0.000 0.476 796 A N 4.681 127.490 122.820 -0.019 0.000 2.332 796 A HA 0.356 4.676 4.320 0.000 0.000 0.258 796 A C 0.275 177.861 177.584 0.003 0.000 1.087 796 A CA -0.586 51.444 52.037 -0.012 0.000 0.802 796 A CB 0.159 19.146 19.000 -0.021 0.000 1.042 796 A HN 0.778 nan 8.150 nan 0.000 0.489 797 D N 1.102 121.510 120.400 0.014 0.000 2.423 797 D HA 0.268 4.908 4.640 0.000 0.000 0.238 797 D C -2.163 174.169 176.300 0.053 0.000 1.142 797 D CA -0.066 53.952 54.000 0.030 0.000 0.884 797 D CB 0.109 40.931 40.800 0.037 0.000 1.199 797 D HN 0.223 nan 8.370 nan 0.000 0.438 798 P HA 0.097 nan 4.420 nan 0.000 0.271 798 P C -0.549 176.829 177.300 0.130 0.000 1.220 798 P CA -0.229 62.912 63.100 0.068 0.000 0.768 798 P CB 0.198 31.917 31.700 0.032 0.000 0.848 799 F N 2.589 122.533 119.950 -0.010 0.000 2.410 799 F HA 0.314 4.842 4.527 0.000 0.000 0.349 799 F C 0.434 176.247 175.800 0.022 0.000 1.117 799 F CA -0.894 57.106 58.000 -0.000 0.000 1.104 799 F CB 0.967 39.959 39.000 -0.013 0.000 1.122 799 F HN 0.255 nan 8.300 nan 0.000 0.483 800 E N 4.627 124.404 120.200 -0.704 0.000 2.197 800 E HA 0.536 4.886 4.350 0.000 0.000 0.281 800 E C -1.550 174.609 176.600 -0.734 0.000 0.995 800 E CA -0.693 55.404 56.400 -0.506 0.000 0.808 800 E CB 1.336 30.867 29.700 -0.281 0.000 1.093 800 E HN 0.502 nan 8.360 nan 0.000 0.394 801 V N 3.732 123.458 119.914 -0.314 0.000 2.409 801 V HA 0.215 4.335 4.120 0.000 0.000 0.290 801 V C -0.194 175.897 176.094 -0.005 0.000 1.017 801 V CA -0.879 61.341 62.300 -0.134 0.000 0.841 801 V CB 1.619 33.491 31.823 0.081 0.000 1.003 801 V HN 0.680 nan 8.190 nan 0.000 0.426 802 T N 4.606 119.135 114.554 -0.042 0.000 2.997 802 T HA 0.270 4.620 4.350 0.000 0.000 0.311 802 T C 0.173 174.868 174.700 -0.010 0.000 1.079 802 T CA -0.090 61.985 62.100 -0.042 0.000 0.982 802 T CB 0.482 69.315 68.868 -0.057 0.000 1.032 802 T HN 0.392 nan 8.240 nan 0.000 0.581 803 V N 5.995 125.914 119.914 0.008 0.000 2.439 803 V HA 0.297 4.418 4.120 0.000 0.000 0.271 803 V C 0.296 176.344 176.094 -0.077 0.000 1.040 803 V CA -0.062 62.251 62.300 0.021 0.000 1.002 803 V CB 0.559 32.449 31.823 0.110 0.000 1.000 803 V HN 0.704 nan 8.190 nan 0.000 0.477 804 M N 4.984 124.541 119.600 -0.071 0.000 2.457 804 M HA 0.513 4.993 4.480 0.000 0.000 0.300 804 M C -0.932 175.293 176.300 -0.126 0.000 1.141 804 M CA -0.449 54.772 55.300 -0.132 0.000 0.901 804 M CB 2.067 34.618 32.600 -0.081 0.000 1.687 804 M HN 0.780 nan 8.290 nan 0.000 0.449 805 Q N 1.210 120.873 119.800 -0.228 0.000 2.331 805 Q HA 0.311 4.651 4.340 0.000 0.000 0.272 805 Q C -0.562 175.392 176.000 -0.076 0.000 1.062 805 Q CA -0.488 55.236 55.803 -0.133 0.000 0.806 805 Q CB 2.156 30.811 28.738 -0.138 0.000 1.312 805 Q HN 0.642 nan 8.270 nan 0.000 0.431 806 D N 1.428 121.886 120.400 0.097 0.000 2.110 806 D HA 0.009 4.649 4.640 0.000 0.000 0.202 806 D C -0.433 176.132 176.300 0.440 0.000 0.975 806 D CA 1.193 55.324 54.000 0.218 0.000 0.839 806 D CB 0.259 41.127 40.800 0.112 0.000 0.996 806 D HN 0.313 nan 8.370 nan 0.000 0.464 807 F N 0.016 120.108 119.950 0.237 0.000 2.469 807 F HA 0.495 5.022 4.527 0.000 0.000 0.332 807 F C -1.373 174.677 175.800 0.416 0.000 1.103 807 F CA -1.420 56.757 58.000 0.296 0.000 0.979 807 F CB 1.273 40.380 39.000 0.178 0.000 1.137 807 F HN -0.244 nan 8.300 nan 0.000 0.463 808 F N 6.982 126.637 119.950 -0.491 0.000 2.588 808 F HA 0.647 5.174 4.527 0.000 0.000 0.314 808 F C -1.830 173.723 175.800 -0.412 0.000 1.134 808 F CA -1.224 56.595 58.000 -0.302 0.000 0.961 808 F CB 1.275 40.350 39.000 0.125 0.000 1.239 808 F HN 0.329 nan 8.300 nan 0.000 0.448 809 I N 4.262 124.148 120.570 -1.140 0.000 2.412 809 I HA 0.366 4.536 4.170 0.000 0.000 0.296 809 I C -1.243 174.266 176.117 -1.014 0.000 0.987 809 I CA -0.628 60.174 61.300 -0.830 0.000 1.180 809 I CB 1.797 39.543 38.000 -0.423 0.000 1.340 809 I HN 0.513 nan 8.210 nan 0.000 0.455 810 D N 5.831 125.947 120.400 -0.474 0.000 2.593 810 D HA 0.385 5.026 4.640 0.000 0.000 0.251 810 D C -1.406 174.852 176.300 -0.069 0.000 1.140 810 D CA -0.495 53.385 54.000 -0.201 0.000 0.855 810 D CB 1.665 42.539 40.800 0.124 0.000 1.267 810 D HN 0.216 nan 8.370 nan 0.000 0.532 811 L N 4.239 125.442 121.223 -0.033 0.000 2.265 811 L HA 0.495 4.835 4.340 0.000 0.000 0.288 811 L C -0.493 176.404 176.870 0.046 0.000 1.058 811 L CA -0.160 54.686 54.840 0.010 0.000 0.809 811 L CB 0.593 42.653 42.059 0.002 0.000 1.179 811 L HN 0.352 nan 8.230 nan 0.000 0.429 812 R N 6.136 126.683 120.500 0.078 0.000 2.278 812 R HA 0.480 4.820 4.340 0.000 0.000 0.322 812 R C -1.301 175.045 176.300 0.076 0.000 1.058 812 R CA -0.527 55.673 56.100 0.167 0.000 0.991 812 R CB 0.476 30.939 30.300 0.272 0.000 1.140 812 R HN 0.525 nan 8.270 nan 0.000 0.518 813 L N 4.075 125.276 121.223 -0.037 0.000 2.330 813 L HA 0.583 4.923 4.340 0.000 0.000 0.271 813 L C -1.835 174.852 176.870 -0.306 0.000 1.013 813 L CA -1.999 52.652 54.840 -0.316 0.000 0.816 813 L CB 1.234 43.171 42.059 -0.204 0.000 1.287 813 L HN 0.310 nan 8.230 nan 0.000 0.435 814 P HA -0.043 nan 4.420 nan 0.000 0.272 814 P C 0.291 177.637 177.300 0.077 0.000 1.230 814 P CA -0.185 62.857 63.100 -0.098 0.000 0.788 814 P CB 0.600 32.203 31.700 -0.163 0.000 0.949 815 Y N 1.689 122.052 120.300 0.106 0.000 2.102 815 Y HA -0.241 4.309 4.550 0.000 0.000 0.280 815 Y C 0.934 176.871 175.900 0.062 0.000 1.178 815 Y CA 2.350 60.507 58.100 0.096 0.000 1.146 815 Y CB 0.061 38.599 38.460 0.130 0.000 0.968 815 Y HN 0.546 nan 8.280 nan 0.000 0.504 816 S N -1.435 114.434 115.700 0.283 0.000 2.570 816 S HA 0.658 5.128 4.470 0.000 0.000 0.270 816 S C -1.502 173.158 174.600 0.100 0.000 1.149 816 S CA -0.817 57.472 58.200 0.148 0.000 0.837 816 S CB 2.040 65.394 63.200 0.256 0.000 1.124 816 S HN -0.004 nan 8.310 nan 0.000 0.465 817 V N 1.446 121.380 119.914 0.034 0.000 2.540 817 V HA 0.527 4.648 4.120 0.000 0.000 0.302 817 V C -0.216 175.891 176.094 0.022 0.000 1.035 817 V CA -0.853 61.456 62.300 0.015 0.000 0.873 817 V CB 1.718 33.514 31.823 -0.046 0.000 0.992 817 V HN 0.851 nan 8.190 nan 0.000 0.428 818 V N 4.568 124.498 119.914 0.028 0.000 2.555 818 V HA 0.230 4.350 4.120 0.000 0.000 0.286 818 V C 0.972 177.062 176.094 -0.008 0.000 1.044 818 V CA -0.279 62.029 62.300 0.013 0.000 1.026 818 V CB 0.943 32.775 31.823 0.014 0.000 0.981 818 V HN 0.915 nan 8.190 nan 0.000 0.480 819 R N 5.390 125.882 120.500 -0.013 0.000 2.474 819 R HA -0.120 4.221 4.340 0.000 0.000 0.290 819 R C 0.771 177.051 176.300 -0.034 0.000 0.918 819 R CA 0.908 56.999 56.100 -0.015 0.000 1.130 819 R CB -0.214 30.078 30.300 -0.014 0.000 0.881 819 R HN 0.928 nan 8.270 nan 0.000 0.416 820 N N 0.935 119.621 118.700 -0.024 0.000 2.948 820 N HA -0.184 4.556 4.740 0.000 0.000 0.239 820 N C -0.844 174.642 175.510 -0.039 0.000 0.954 820 N CA 1.475 54.503 53.050 -0.037 0.000 0.941 820 N CB -0.809 37.635 38.487 -0.073 0.000 1.101 820 N HN 0.719 nan 8.380 nan 0.000 0.579 821 E N 0.403 120.587 120.200 -0.027 0.000 2.369 821 E HA 0.243 4.593 4.350 0.000 0.000 0.255 821 E C 0.268 176.860 176.600 -0.013 0.000 1.172 821 E CA -0.010 56.382 56.400 -0.014 0.000 0.932 821 E CB 0.482 30.183 29.700 0.001 0.000 1.040 821 E HN 0.091 nan 8.360 nan 0.000 0.454 822 Q N 1.421 121.218 119.800 -0.005 0.000 2.788 822 Q HA 0.214 4.555 4.340 0.000 0.000 0.261 822 Q C -1.368 174.624 176.000 -0.013 0.000 1.029 822 Q CA -0.465 55.333 55.803 -0.009 0.000 0.848 822 Q CB 0.914 29.652 28.738 0.001 0.000 1.185 822 Q HN 0.345 nan 8.270 nan 0.000 0.482 823 V N -0.712 119.177 119.914 -0.043 0.000 2.732 823 V HA 0.363 4.483 4.120 0.000 0.000 0.297 823 V C 0.061 176.120 176.094 -0.058 0.000 1.060 823 V CA -0.565 61.698 62.300 -0.062 0.000 1.038 823 V CB 1.562 33.300 31.823 -0.142 0.000 1.003 823 V HN 0.607 nan 8.190 nan 0.000 0.481 824 E N 4.034 124.221 120.200 -0.022 0.000 2.103 824 E HA 0.411 4.761 4.350 0.000 0.000 0.254 824 E C 0.038 176.637 176.600 -0.002 0.000 0.940 824 E CA -0.704 55.695 56.400 -0.001 0.000 0.771 824 E CB 0.942 30.660 29.700 0.030 0.000 1.153 824 E HN 0.828 nan 8.360 nan 0.000 0.428 825 I N 1.266 121.788 120.570 -0.080 0.000 3.327 825 I HA 0.283 4.453 4.170 0.000 0.000 0.280 825 I C 0.029 176.171 176.117 0.041 0.000 1.207 825 I CA -0.477 60.766 61.300 -0.095 0.000 1.280 825 I CB 0.562 38.475 38.000 -0.144 0.000 1.417 825 I HN 0.421 nan 8.210 nan 0.000 0.639 826 R N 2.562 123.109 120.500 0.078 0.000 2.584 826 R HA 0.770 5.110 4.340 0.000 0.000 0.276 826 R C -1.738 174.589 176.300 0.045 0.000 1.046 826 R CA -0.874 55.247 56.100 0.035 0.000 0.906 826 R CB 1.636 31.969 30.300 0.055 0.000 1.215 826 R HN 0.835 nan 8.270 nan 0.000 0.449 827 A N 3.622 126.446 122.820 0.007 0.000 2.341 827 A HA 0.436 4.757 4.320 0.000 0.000 0.326 827 A C -0.099 177.446 177.584 -0.065 0.000 1.402 827 A CA -0.730 51.321 52.037 0.023 0.000 0.957 827 A CB 0.640 19.721 19.000 0.134 0.000 1.151 827 A HN 0.489 nan 8.150 nan 0.000 0.533 828 V N 3.808 123.661 119.914 -0.102 0.000 2.572 828 V HA 0.223 4.343 4.120 0.000 0.000 0.291 828 V C 0.117 175.998 176.094 -0.355 0.000 1.039 828 V CA 0.277 62.432 62.300 -0.242 0.000 1.055 828 V CB 0.503 32.176 31.823 -0.250 0.000 0.969 828 V HN 0.677 nan 8.190 nan 0.000 0.482 829 L N 5.642 126.619 121.223 -0.411 0.000 2.356 829 L HA 0.548 4.889 4.340 0.000 0.000 0.277 829 L C -1.142 175.481 176.870 -0.412 0.000 0.996 829 L CA -0.558 54.088 54.840 -0.324 0.000 0.822 829 L CB 1.457 43.511 42.059 -0.007 0.000 1.256 829 L HN 0.505 nan 8.230 nan 0.000 0.413 830 Y N 1.552 121.790 120.300 -0.103 0.000 2.330 830 Y HA 0.348 4.899 4.550 0.000 0.000 0.336 830 Y C 0.273 176.169 175.900 -0.006 0.000 1.036 830 Y CA -0.572 57.469 58.100 -0.099 0.000 1.125 830 Y CB 1.452 39.832 38.460 -0.133 0.000 1.194 830 Y HN 0.480 nan 8.280 nan 0.000 0.469 831 N N 2.257 121.008 118.700 0.085 0.000 2.476 831 N HA 0.166 4.906 4.740 0.000 0.000 0.257 831 N C -0.705 174.824 175.510 0.032 0.000 0.970 831 N CA -0.395 52.749 53.050 0.158 0.000 0.938 831 N CB 0.350 38.926 38.487 0.148 0.000 1.144 831 N HN 0.566 nan 8.380 nan 0.000 0.500 832 Y N 1.636 122.034 120.300 0.164 0.000 2.503 832 Y HA 0.263 4.813 4.550 0.000 0.000 0.278 832 Y C 0.794 176.739 175.900 0.074 0.000 1.111 832 Y CA 0.043 58.204 58.100 0.102 0.000 1.270 832 Y CB 0.267 38.770 38.460 0.072 0.000 1.063 832 Y HN 0.251 nan 8.280 nan 0.000 0.548 833 R N 1.746 122.374 120.500 0.213 0.000 2.566 833 R HA -0.118 4.223 4.340 0.000 0.000 0.273 833 R C 0.857 177.218 176.300 0.103 0.000 0.981 833 R CA 0.461 56.642 56.100 0.134 0.000 1.091 833 R CB 0.199 30.564 30.300 0.109 0.000 0.924 833 R HN 0.488 nan 8.270 nan 0.000 0.411 834 Q N 1.588 121.439 119.800 0.085 0.000 2.354 834 Q HA -0.038 4.302 4.340 0.000 0.000 0.203 834 Q C 0.127 176.158 176.000 0.052 0.000 0.933 834 Q CA 0.984 56.827 55.803 0.066 0.000 0.901 834 Q CB 0.280 29.053 28.738 0.058 0.000 1.007 834 Q HN 0.614 nan 8.270 nan 0.000 0.495 835 N N 0.337 119.069 118.700 0.054 0.000 2.622 835 N HA 0.164 4.904 4.740 0.000 0.000 0.293 835 N C -1.513 174.027 175.510 0.049 0.000 1.788 835 N CA 0.019 53.095 53.050 0.044 0.000 0.860 835 N CB 1.022 39.531 38.487 0.037 0.000 1.388 835 N HN -0.055 nan 8.380 nan 0.000 0.496 836 Q N 1.396 121.231 119.800 0.060 0.000 2.364 836 Q HA 0.090 4.430 4.340 0.000 0.000 0.251 836 Q C -1.502 174.543 176.000 0.075 0.000 0.927 836 Q CA -0.552 55.293 55.803 0.069 0.000 0.924 836 Q CB 2.144 30.941 28.738 0.098 0.000 1.419 836 Q HN 0.389 nan 8.270 nan 0.000 0.427 837 E N 3.854 124.089 120.200 0.059 0.000 2.259 837 E HA 0.346 4.697 4.350 0.000 0.000 0.281 837 E C -0.673 175.972 176.600 0.076 0.000 1.037 837 E CA -0.382 56.051 56.400 0.056 0.000 0.854 837 E CB 1.084 30.800 29.700 0.028 0.000 1.051 837 E HN 0.386 nan 8.360 nan 0.000 0.409 838 L N 3.388 124.665 121.223 0.091 0.000 2.305 838 L HA 0.278 4.618 4.340 0.000 0.000 0.281 838 L C 0.473 177.380 176.870 0.061 0.000 1.085 838 L CA -0.501 54.402 54.840 0.105 0.000 0.813 838 L CB 0.971 43.095 42.059 0.108 0.000 1.157 838 L HN 0.563 nan 8.230 nan 0.000 0.436 839 K N 2.812 123.251 120.400 0.065 0.000 2.183 839 K HA 0.610 4.930 4.320 0.000 0.000 0.274 839 K C -1.357 175.313 176.600 0.116 0.000 1.009 839 K CA -0.502 55.789 56.287 0.006 0.000 0.888 839 K CB 1.535 33.937 32.500 -0.163 0.000 1.078 839 K HN 0.332 nan 8.250 nan 0.000 0.459 840 V N 4.189 124.164 119.914 0.102 0.000 2.709 840 V HA 0.378 4.498 4.120 0.000 0.000 0.308 840 V C -0.466 175.736 176.094 0.181 0.000 1.062 840 V CA -1.021 61.327 62.300 0.080 0.000 0.901 840 V CB 1.823 33.603 31.823 -0.071 0.000 1.003 840 V HN 0.718 nan 8.190 nan 0.000 0.425 841 R N 2.923 123.499 120.500 0.126 0.000 2.204 841 R HA 0.584 4.924 4.340 0.000 0.000 0.341 841 R C -1.316 175.015 176.300 0.053 0.000 1.035 841 R CA -0.072 56.081 56.100 0.089 0.000 0.887 841 R CB 1.320 31.591 30.300 -0.048 0.000 1.114 841 R HN 0.561 nan 8.270 nan 0.000 0.473 842 V N 3.830 123.799 119.914 0.092 0.000 2.581 842 V HA 0.480 4.600 4.120 0.000 0.000 0.303 842 V C -0.809 175.364 176.094 0.132 0.000 1.041 842 V CA -0.523 61.855 62.300 0.131 0.000 0.907 842 V CB 1.860 33.794 31.823 0.185 0.000 0.994 842 V HN 0.852 nan 8.190 nan 0.000 0.442 843 E N 4.390 124.662 120.200 0.121 0.000 2.292 843 E HA 0.435 4.786 4.350 0.000 0.000 0.272 843 E C -1.933 174.677 176.600 0.017 0.000 0.881 843 E CA -0.906 55.541 56.400 0.080 0.000 0.754 843 E CB 2.113 31.836 29.700 0.039 0.000 1.201 843 E HN 0.688 nan 8.360 nan 0.000 0.425 844 L N 4.833 125.993 121.223 -0.105 0.000 2.276 844 L HA 0.358 4.698 4.340 0.000 0.000 0.286 844 L C -1.423 175.403 176.870 -0.073 0.000 1.061 844 L CA -0.367 54.312 54.840 -0.268 0.000 0.807 844 L CB 0.743 42.341 42.059 -0.768 0.000 1.177 844 L HN 0.514 nan 8.230 nan 0.000 0.429 845 L N 4.352 125.558 121.223 -0.029 0.000 2.399 845 L HA 0.329 4.669 4.340 0.000 0.000 0.266 845 L C -0.159 176.732 176.870 0.034 0.000 1.114 845 L CA -0.139 54.713 54.840 0.020 0.000 0.804 845 L CB 0.570 42.638 42.059 0.016 0.000 1.146 845 L HN 0.682 nan 8.230 nan 0.000 0.451 846 H N 2.443 121.481 119.070 -0.054 0.000 2.683 846 H HA 0.357 4.914 4.556 0.000 0.000 0.339 846 H C -0.594 174.620 175.328 -0.190 0.000 1.081 846 H CA 0.215 56.202 56.048 -0.102 0.000 1.432 846 H CB 0.471 30.184 29.762 -0.082 0.000 1.462 846 H HN 0.509 nan 8.280 nan 0.000 0.557 847 N N 5.901 123.980 118.700 -1.036 0.000 2.549 847 N HA 0.171 4.911 4.740 0.000 0.000 0.290 847 N C -2.373 172.432 175.510 -1.175 0.000 1.122 847 N CA -2.126 50.291 53.050 -1.055 0.000 0.885 847 N CB 1.811 39.675 38.487 -1.039 0.000 1.455 847 N HN 0.389 nan 8.380 nan 0.000 0.521 848 P HA -0.095 nan 4.420 nan 0.000 0.226 848 P C 0.918 178.006 177.300 -0.353 0.000 1.146 848 P CA 0.664 63.496 63.100 -0.446 0.000 0.773 848 P CB 0.278 31.860 31.700 -0.198 0.000 0.772 849 A N -0.101 122.446 122.820 -0.454 0.000 1.940 849 A HA -0.040 4.280 4.320 0.000 0.000 0.219 849 A C 0.976 178.481 177.584 -0.133 0.000 1.176 849 A CA 1.152 53.033 52.037 -0.260 0.000 0.631 849 A CB -1.101 17.781 19.000 -0.196 0.000 0.814 849 A HN 0.353 nan 8.150 nan 0.000 0.446 850 F N -4.327 115.560 119.950 -0.104 0.000 2.588 850 F HA 0.602 5.129 4.527 0.000 0.000 0.310 850 F C -0.572 175.186 175.800 -0.069 0.000 1.082 850 F CA -2.271 55.683 58.000 -0.077 0.000 0.929 850 F CB 0.142 39.096 39.000 -0.076 0.000 1.254 850 F HN -0.170 nan 8.300 nan 0.000 0.455 851 c N 3.248 121.960 118.600 0.187 0.000 2.657 851 c HA 0.527 5.097 4.570 0.000 0.000 0.404 851 c C 0.737 174.947 174.090 0.200 0.000 1.369 851 c CA -0.027 56.384 56.329 0.136 0.000 1.665 851 c CB -1.789 40.770 42.510 0.083 0.000 2.453 851 c HN 0.884 nan 8.230 nan 0.000 0.599 852 S N 3.301 119.111 115.700 0.183 0.000 2.751 852 S HA 0.574 5.045 4.470 0.000 0.000 0.310 852 S C 0.490 175.104 174.600 0.023 0.000 1.128 852 S CA -0.865 57.408 58.200 0.122 0.000 0.931 852 S CB 0.735 64.042 63.200 0.178 0.000 1.177 852 S HN 0.555 nan 8.310 nan 0.000 0.530 853 L N 0.312 121.476 121.223 -0.099 0.000 2.456 853 L HA 0.131 4.471 4.340 0.000 0.000 0.224 853 L C 1.206 178.021 176.870 -0.092 0.000 1.148 853 L CA 0.758 55.487 54.840 -0.185 0.000 0.825 853 L CB -0.574 41.161 42.059 -0.540 0.000 0.937 853 L HN 0.829 nan 8.230 nan 0.000 0.450 854 A N -0.117 122.691 122.820 -0.020 0.000 2.252 854 A HA 0.520 4.840 4.320 0.000 0.000 0.309 854 A C 0.269 177.922 177.584 0.116 0.000 1.285 854 A CA -0.355 51.729 52.037 0.077 0.000 0.900 854 A CB 0.163 19.225 19.000 0.103 0.000 1.157 854 A HN 0.229 nan 8.150 nan 0.000 0.536 855 T N -0.872 113.662 114.554 -0.034 0.000 2.940 855 T HA 0.460 4.810 4.350 0.000 0.000 0.288 855 T C 1.184 175.579 174.700 -0.510 0.000 1.045 855 T CA 0.145 62.082 62.100 -0.271 0.000 1.018 855 T CB 0.868 69.653 68.868 -0.137 0.000 1.151 855 T HN 0.359 nan 8.240 nan 0.000 0.529 856 T N 0.502 114.599 114.554 -0.762 0.000 2.737 856 T HA -0.121 4.229 4.350 0.000 0.000 0.269 856 T C 1.783 176.354 174.700 -0.215 0.000 1.040 856 T CA 1.614 63.441 62.100 -0.454 0.000 1.142 856 T CB -0.391 68.288 68.868 -0.314 0.000 0.861 856 T HN 0.597 nan 8.240 nan 0.000 0.456 857 K N 1.499 121.799 120.400 -0.168 0.000 1.971 857 K HA -0.079 4.241 4.320 0.000 0.000 0.221 857 K C 1.027 177.585 176.600 -0.069 0.000 1.050 857 K CA 1.336 57.568 56.287 -0.091 0.000 0.967 857 K CB 0.018 32.479 32.500 -0.066 0.000 0.733 857 K HN 0.527 nan 8.250 nan 0.000 0.445 858 R N 0.001 120.468 120.500 -0.055 0.000 2.807 858 R HA 0.406 4.747 4.340 0.000 0.000 0.276 858 R C -0.887 175.410 176.300 -0.004 0.000 0.979 858 R CA -1.040 55.047 56.100 -0.023 0.000 0.928 858 R CB 1.449 31.748 30.300 -0.001 0.000 1.191 858 R HN -0.012 nan 8.270 nan 0.000 0.471 859 R N 0.623 121.130 120.500 0.012 0.000 2.652 859 R HA 0.203 4.543 4.340 0.000 0.000 0.272 859 R C -0.271 176.093 176.300 0.107 0.000 1.162 859 R CA -0.748 55.379 56.100 0.045 0.000 1.199 859 R CB 0.320 30.635 30.300 0.025 0.000 1.166 859 R HN 0.670 nan 8.270 nan 0.000 0.597 860 H N 0.884 119.959 119.070 0.008 0.000 2.423 860 H HA 0.106 4.662 4.556 0.000 0.000 0.237 860 H C -1.071 174.284 175.328 0.045 0.000 1.391 860 H CA -0.517 55.548 56.048 0.029 0.000 1.453 860 H CB 0.584 30.363 29.762 0.029 0.000 1.484 860 H HN 0.632 nan 8.280 nan 0.000 0.505 861 Q N 2.769 122.487 119.800 -0.137 0.000 2.266 861 Q HA 0.439 4.780 4.340 0.000 0.000 0.261 861 Q C -1.053 174.860 176.000 -0.144 0.000 0.985 861 Q CA -1.151 54.595 55.803 -0.095 0.000 0.873 861 Q CB 2.720 31.438 28.738 -0.034 0.000 1.306 861 Q HN 0.592 nan 8.270 nan 0.000 0.447 862 Q N -0.057 119.704 119.800 -0.065 0.000 2.377 862 Q HA 0.501 4.841 4.340 0.000 0.000 0.279 862 Q C -1.316 174.701 176.000 0.027 0.000 1.049 862 Q CA -0.852 54.925 55.803 -0.043 0.000 0.825 862 Q CB 1.874 30.568 28.738 -0.074 0.000 1.401 862 Q HN 0.506 nan 8.270 nan 0.000 0.404 863 T N 1.742 116.316 114.554 0.034 0.000 2.856 863 T HA 0.548 4.899 4.350 0.000 0.000 0.292 863 T C -0.274 174.430 174.700 0.006 0.000 0.980 863 T CA -0.373 61.760 62.100 0.055 0.000 1.091 863 T CB 0.885 69.765 68.868 0.020 0.000 0.936 863 T HN 0.541 nan 8.240 nan 0.000 0.503 864 V N 0.743 120.664 119.914 0.013 0.000 2.971 864 V HA 0.757 4.877 4.120 0.000 0.000 0.309 864 V C -0.405 175.681 176.094 -0.013 0.000 1.130 864 V CA -0.976 61.321 62.300 -0.006 0.000 0.964 864 V CB 2.116 33.946 31.823 0.011 0.000 1.029 864 V HN 0.758 nan 8.190 nan 0.000 0.427 865 T N 4.625 119.164 114.554 -0.025 0.000 2.770 865 T HA 0.724 5.074 4.350 0.000 0.000 0.283 865 T C -0.336 174.364 174.700 0.001 0.000 0.988 865 T CA -0.037 62.050 62.100 -0.021 0.000 0.957 865 T CB 0.920 69.762 68.868 -0.044 0.000 0.930 865 T HN 0.621 nan 8.240 nan 0.000 0.443 866 I N 5.533 126.119 120.570 0.027 0.000 2.339 866 I HA 0.343 4.514 4.170 0.000 0.000 0.290 866 I C -2.270 173.867 176.117 0.034 0.000 0.994 866 I CA -2.673 58.648 61.300 0.035 0.000 1.191 866 I CB 1.506 39.553 38.000 0.079 0.000 1.343 866 I HN 0.312 nan 8.210 nan 0.000 0.458 867 P HA 0.134 nan 4.420 nan 0.000 0.271 867 P C -2.504 174.812 177.300 0.026 0.000 1.233 867 P CA -1.035 62.074 63.100 0.015 0.000 0.789 867 P CB -0.255 31.445 31.700 0.001 0.000 0.951 868 P HA 0.014 nan 4.420 nan 0.000 0.267 868 P C -0.340 176.976 177.300 0.025 0.000 1.200 868 P CA 0.225 63.348 63.100 0.038 0.000 0.772 868 P CB 0.047 31.768 31.700 0.035 0.000 0.855 869 K N -0.279 120.139 120.400 0.029 0.000 3.177 869 K HA -0.158 4.162 4.320 0.000 0.000 0.266 869 K C 0.084 176.675 176.600 -0.016 0.000 0.937 869 K CA 0.872 57.163 56.287 0.007 0.000 0.702 869 K CB -1.601 30.913 32.500 0.023 0.000 1.365 869 K HN 0.755 nan 8.250 nan 0.000 0.466 870 S N -2.497 113.187 115.700 -0.026 0.000 2.800 870 S HA 0.720 5.191 4.470 0.000 0.000 0.293 870 S C -0.572 174.007 174.600 -0.035 0.000 1.209 870 S CA -0.327 57.859 58.200 -0.023 0.000 0.884 870 S CB 2.057 65.247 63.200 -0.015 0.000 1.244 870 S HN 0.355 nan 8.310 nan 0.000 0.540 871 S N -0.198 115.462 115.700 -0.067 0.000 2.704 871 S HA 0.899 5.369 4.470 0.000 0.000 0.296 871 S C -1.453 173.045 174.600 -0.169 0.000 1.138 871 S CA -0.726 57.354 58.200 -0.199 0.000 0.875 871 S CB 1.346 64.320 63.200 -0.377 0.000 1.151 871 S HN 1.690 nan 8.310 nan 0.000 0.500 872 L N 0.570 121.658 121.223 -0.225 0.000 2.482 872 L HA 0.767 5.107 4.340 0.000 0.000 0.263 872 L C -0.873 175.895 176.870 -0.170 0.000 0.957 872 L CA -0.099 54.654 54.840 -0.145 0.000 0.836 872 L CB 2.138 44.153 42.059 -0.074 0.000 1.324 872 L HN 0.888 nan 8.230 nan 0.000 0.406 873 S N 2.959 118.580 115.700 -0.132 0.000 2.462 873 S HA 0.809 5.279 4.470 0.000 0.000 0.294 873 S C -1.092 173.432 174.600 -0.127 0.000 1.144 873 S CA -0.453 57.671 58.200 -0.125 0.000 1.088 873 S CB 1.003 64.143 63.200 -0.099 0.000 1.009 873 S HN 0.495 nan 8.310 nan 0.000 0.484 874 V N 8.219 128.036 119.914 -0.161 0.000 2.304 874 V HA 0.429 4.549 4.120 0.000 0.000 0.278 874 V C -2.124 173.688 176.094 -0.470 0.000 1.018 874 V CA -1.829 60.308 62.300 -0.271 0.000 0.814 874 V CB 1.147 32.824 31.823 -0.243 0.000 1.021 874 V HN 0.736 nan 8.190 nan 0.000 0.440 875 P HA 0.298 nan 4.420 nan 0.000 0.271 875 P C -1.527 175.444 177.300 -0.547 0.000 1.218 875 P CA -0.064 62.847 63.100 -0.316 0.000 0.780 875 P CB 0.726 32.339 31.700 -0.146 0.000 0.901 876 Y N -0.426 119.872 120.300 -0.004 0.000 2.421 876 Y HA 0.255 4.805 4.550 0.001 0.000 0.339 876 Y C 0.007 175.869 175.900 -0.063 0.000 0.996 876 Y CA -1.109 56.970 58.100 -0.034 0.000 1.046 876 Y CB 1.788 40.224 38.460 -0.040 0.000 1.226 876 Y HN 0.017 nan 8.280 nan 0.000 0.445 877 V N 5.593 125.565 119.914 0.098 0.000 2.432 877 V HA 0.436 4.556 4.120 0.000 0.000 0.271 877 V C -0.023 176.071 176.094 -0.001 0.000 1.046 877 V CA -0.483 61.831 62.300 0.025 0.000 0.945 877 V CB 0.288 32.121 31.823 0.016 0.000 0.992 877 V HN 0.622 nan 8.190 nan 0.000 0.471 878 I N 2.727 123.262 120.570 -0.059 0.000 2.499 878 I HA 0.728 4.898 4.170 0.000 0.000 0.288 878 I C -0.764 175.315 176.117 -0.063 0.000 1.048 878 I CA -0.829 60.413 61.300 -0.096 0.000 1.062 878 I CB 2.247 40.016 38.000 -0.385 0.000 1.238 878 I HN 0.212 nan 8.210 nan 0.000 0.426 879 V N 6.843 126.773 119.914 0.027 0.000 2.293 879 V HA 0.415 4.535 4.120 0.000 0.000 0.275 879 V C -2.168 173.980 176.094 0.089 0.000 1.021 879 V CA -1.490 60.830 62.300 0.033 0.000 0.815 879 V CB 0.923 32.766 31.823 0.033 0.000 1.025 879 V HN 0.655 nan 8.190 nan 0.000 0.448 880 P HA 0.219 nan 4.420 nan 0.000 0.276 880 P C 0.206 177.551 177.300 0.075 0.000 1.253 880 P CA -0.106 63.067 63.100 0.122 0.000 0.766 880 P CB 1.766 33.496 31.700 0.051 0.000 0.845 881 L N 2.202 123.471 121.223 0.077 0.000 2.354 881 L HA 0.146 4.487 4.340 0.000 0.000 0.212 881 L C 1.130 178.015 176.870 0.025 0.000 1.091 881 L CA 1.329 56.191 54.840 0.036 0.000 0.828 881 L CB -0.284 41.788 42.059 0.022 0.000 0.973 881 L HN 0.234 nan 8.230 nan 0.000 0.461 882 K N 0.187 120.605 120.400 0.030 0.000 2.259 882 K HA 0.504 4.825 4.320 0.000 0.000 0.252 882 K C -0.115 176.499 176.600 0.023 0.000 0.936 882 K CA -0.368 55.930 56.287 0.019 0.000 0.810 882 K CB 1.587 34.090 32.500 0.005 0.000 1.143 882 K HN -0.037 nan 8.250 nan 0.000 0.427 883 T N -1.548 113.013 114.554 0.012 0.000 2.816 883 T HA 0.707 5.057 4.350 0.000 0.000 0.282 883 T C 0.717 175.425 174.700 0.012 0.000 0.993 883 T CA 0.083 62.186 62.100 0.006 0.000 0.994 883 T CB 1.215 70.075 68.868 -0.013 0.000 1.025 883 T HN 0.811 nan 8.240 nan 0.000 0.529 884 G N -0.025 108.782 108.800 0.011 0.000 2.466 884 G HA2 0.010 3.971 3.960 0.000 0.000 0.316 884 G HA3 0.010 3.971 3.960 0.000 0.000 0.316 884 G C -1.137 173.766 174.900 0.006 0.000 1.270 884 G CA -0.759 44.347 45.100 0.011 0.000 0.982 884 G HN 0.931 nan 8.290 nan 0.000 0.506 885 L N 1.446 122.668 121.223 -0.001 0.000 2.261 885 L HA 0.417 4.757 4.340 0.000 0.000 0.289 885 L C 0.159 177.035 176.870 0.011 0.000 1.059 885 L CA -0.674 54.162 54.840 -0.007 0.000 0.816 885 L CB 1.231 43.276 42.059 -0.024 0.000 1.191 885 L HN 0.445 nan 8.230 nan 0.000 0.431 886 Q N 3.393 123.214 119.800 0.035 0.000 2.274 886 Q HA 0.356 4.696 4.340 0.000 0.000 0.260 886 Q C -0.644 175.414 176.000 0.096 0.000 0.974 886 Q CA -0.754 55.100 55.803 0.085 0.000 0.876 886 Q CB 2.020 30.875 28.738 0.195 0.000 1.297 886 Q HN 0.359 nan 8.270 nan 0.000 0.446 887 E N 1.571 121.827 120.200 0.094 0.000 2.194 887 E HA 0.282 4.633 4.350 0.000 0.000 0.284 887 E C -0.568 176.133 176.600 0.169 0.000 1.035 887 E CA -0.439 56.009 56.400 0.080 0.000 0.836 887 E CB 1.291 31.009 29.700 0.030 0.000 1.070 887 E HN 0.188 nan 8.360 nan 0.000 0.401 888 V N 3.227 123.211 119.914 0.118 0.000 2.370 888 V HA 0.239 4.359 4.120 0.000 0.000 0.283 888 V C 0.216 176.342 176.094 0.054 0.000 1.023 888 V CA -0.514 61.856 62.300 0.117 0.000 0.857 888 V CB 1.418 33.213 31.823 -0.046 0.000 0.985 888 V HN 0.587 nan 8.190 nan 0.000 0.443 889 E N 3.782 124.016 120.200 0.056 0.000 2.241 889 E HA 0.587 4.938 4.350 0.000 0.000 0.263 889 E C -1.126 175.480 176.600 0.010 0.000 0.882 889 E CA -0.610 55.806 56.400 0.027 0.000 0.769 889 E CB 2.179 31.895 29.700 0.026 0.000 1.185 889 E HN 0.615 nan 8.360 nan 0.000 0.415 890 V N 1.727 121.652 119.914 0.019 0.000 2.532 890 V HA 0.639 4.759 4.120 0.000 0.000 0.295 890 V C -0.445 175.683 176.094 0.057 0.000 1.041 890 V CA -0.758 61.562 62.300 0.035 0.000 0.926 890 V CB 1.526 33.408 31.823 0.098 0.000 0.992 890 V HN 0.492 nan 8.190 nan 0.000 0.457 891 K N 2.781 123.220 120.400 0.065 0.000 2.259 891 K HA 0.851 5.172 4.320 0.000 0.000 0.252 891 K C -0.697 175.964 176.600 0.102 0.000 0.936 891 K CA -0.448 55.885 56.287 0.076 0.000 0.810 891 K CB 2.364 34.894 32.500 0.051 0.000 1.143 891 K HN 1.097 nan 8.250 nan 0.000 0.427 892 A N 1.228 124.127 122.820 0.132 0.000 2.359 892 A HA 0.721 5.041 4.320 0.000 0.000 0.303 892 A C -1.230 176.390 177.584 0.060 0.000 1.066 892 A CA -0.672 51.453 52.037 0.147 0.000 0.730 892 A CB 1.475 20.686 19.000 0.350 0.000 1.211 892 A HN 0.617 nan 8.150 nan 0.000 0.439 893 A N 2.363 125.153 122.820 -0.050 0.000 2.293 893 A HA 0.612 4.932 4.320 0.000 0.000 0.312 893 A C 0.172 177.615 177.584 -0.236 0.000 1.309 893 A CA -0.216 51.729 52.037 -0.152 0.000 0.839 893 A CB 0.275 19.150 19.000 -0.209 0.000 1.155 893 A HN 2.183 nan 8.150 nan 0.000 0.501 894 V N 1.643 121.399 119.914 -0.264 0.000 2.811 894 V HA 0.429 4.549 4.120 0.000 0.000 0.302 894 V C -0.381 175.637 176.094 -0.126 0.000 1.063 894 V CA -0.286 61.888 62.300 -0.210 0.000 1.088 894 V CB -0.057 31.595 31.823 -0.286 0.000 0.982 894 V HN 0.608 nan 8.190 nan 0.000 0.485 895 Y N 5.361 125.578 120.300 -0.138 0.000 2.425 895 Y HA 0.373 4.923 4.550 0.000 0.000 0.331 895 Y C 1.197 177.007 175.900 -0.150 0.000 1.157 895 Y CA 1.559 59.519 58.100 -0.234 0.000 1.372 895 Y CB 0.233 38.571 38.460 -0.204 0.000 1.253 895 Y HN 1.099 nan 8.280 nan 0.000 0.536 896 H N -1.423 117.607 119.070 -0.066 0.000 4.844 896 H HA -0.262 4.295 4.556 0.000 0.000 0.071 896 H C -0.087 175.136 175.328 -0.176 0.000 0.589 896 H CA 1.389 57.356 56.048 -0.136 0.000 1.006 896 H CB -1.355 28.302 29.762 -0.176 0.000 0.443 896 H HN 0.782 nan 8.280 nan 0.000 0.779 897 H N 0.251 119.394 119.070 0.122 0.000 2.790 897 H HA 0.159 4.716 4.556 0.000 0.000 0.358 897 H C 0.184 175.532 175.328 0.033 0.000 1.103 897 H CA 0.329 56.434 56.048 0.094 0.000 1.426 897 H CB 0.367 30.181 29.762 0.087 0.000 1.424 897 H HN 0.265 nan 8.280 nan 0.000 0.599 898 F N 2.303 122.338 119.950 0.142 0.000 2.777 898 F HA 0.159 4.687 4.527 0.000 0.000 0.291 898 F C -0.100 175.745 175.800 0.075 0.000 1.187 898 F CA -0.363 57.679 58.000 0.069 0.000 1.406 898 F CB 0.194 39.224 39.000 0.051 0.000 0.982 898 F HN 0.434 nan 8.300 nan 0.000 0.509 899 I N 1.205 121.922 120.570 0.245 0.000 2.576 899 I HA -0.061 4.109 4.170 0.000 0.000 0.288 899 I C 0.673 176.880 176.117 0.150 0.000 1.126 899 I CA 0.587 62.004 61.300 0.195 0.000 1.362 899 I CB -0.082 38.002 38.000 0.140 0.000 1.419 899 I HN 0.012 nan 8.210 nan 0.000 0.533 900 S N 5.441 121.267 115.700 0.210 0.000 2.426 900 S HA 0.302 4.772 4.470 0.000 0.000 0.236 900 S C -0.374 174.338 174.600 0.186 0.000 1.368 900 S CA -0.637 57.665 58.200 0.170 0.000 1.154 900 S CB 0.142 63.468 63.200 0.210 0.000 1.037 900 S HN 0.597 nan 8.310 nan 0.000 0.481 901 D N 1.925 122.468 120.400 0.238 0.000 2.326 901 D HA 0.868 5.509 4.640 0.000 0.000 0.248 901 D C 0.052 176.466 176.300 0.189 0.000 1.001 901 D CA 0.047 54.195 54.000 0.246 0.000 0.961 901 D CB 1.849 42.866 40.800 0.362 0.000 1.183 901 D HN 0.646 nan 8.370 nan 0.000 0.502 902 G N -0.575 108.299 108.800 0.122 0.000 2.673 902 G HA2 0.512 4.473 3.960 0.000 0.000 0.292 902 G HA3 0.512 4.473 3.960 0.000 0.000 0.292 902 G C -1.866 173.055 174.900 0.035 0.000 1.450 902 G CA -0.438 44.710 45.100 0.079 0.000 0.837 902 G HN 0.410 nan 8.290 nan 0.000 0.505 903 V N 0.844 120.767 119.914 0.013 0.000 2.588 903 V HA 0.706 4.827 4.120 0.000 0.000 0.304 903 V C -0.101 176.000 176.094 0.011 0.000 1.042 903 V CA -0.840 61.458 62.300 -0.004 0.000 0.877 903 V CB 1.943 33.734 31.823 -0.054 0.000 0.996 903 V HN 0.771 nan 8.190 nan 0.000 0.425 904 R N 4.155 124.664 120.500 0.015 0.000 2.513 904 R HA 0.456 4.797 4.340 0.000 0.000 0.283 904 R C -0.493 175.814 176.300 0.012 0.000 1.535 904 R CA -0.472 55.638 56.100 0.016 0.000 1.315 904 R CB 0.768 31.079 30.300 0.018 0.000 1.163 904 R HN 0.684 nan 8.270 nan 0.000 0.573 905 K N 0.509 120.913 120.400 0.006 0.000 2.209 905 K HA 0.446 4.766 4.320 0.000 0.000 0.238 905 K C -0.585 176.011 176.600 -0.007 0.000 1.028 905 K CA -0.592 55.694 56.287 -0.002 0.000 0.935 905 K CB 1.545 34.040 32.500 -0.007 0.000 1.162 905 K HN 0.293 nan 8.250 nan 0.000 0.485 906 S N 1.623 117.312 115.700 -0.019 0.000 2.707 906 S HA 0.312 4.782 4.470 0.000 0.000 0.303 906 S C -0.778 173.792 174.600 -0.050 0.000 1.132 906 S CA -0.938 57.248 58.200 -0.023 0.000 1.046 906 S CB 0.413 63.601 63.200 -0.020 0.000 1.004 906 S HN 0.511 nan 8.310 nan 0.000 0.483 907 L N 1.514 122.701 121.223 -0.060 0.000 2.343 907 L HA 0.737 5.077 4.340 0.000 0.000 0.275 907 L C -0.290 176.541 176.870 -0.064 0.000 1.056 907 L CA -0.864 53.922 54.840 -0.089 0.000 0.804 907 L CB 0.843 42.821 42.059 -0.135 0.000 1.203 907 L HN 0.566 nan 8.230 nan 0.000 0.440 908 K N 2.724 123.080 120.400 -0.075 0.000 2.234 908 K HA 0.548 4.869 4.320 0.000 0.000 0.277 908 K C -1.248 175.343 176.600 -0.016 0.000 1.038 908 K CA -0.744 55.516 56.287 -0.044 0.000 0.888 908 K CB 1.763 34.226 32.500 -0.061 0.000 1.091 908 K HN 0.504 nan 8.250 nan 0.000 0.467 909 V N 4.934 124.848 119.914 -0.001 0.000 2.334 909 V HA 0.127 4.247 4.120 0.000 0.000 0.267 909 V C 0.316 176.416 176.094 0.009 0.000 1.040 909 V CA -0.904 61.400 62.300 0.007 0.000 0.866 909 V CB 0.392 32.224 31.823 0.015 0.000 1.019 909 V HN 0.697 nan 8.190 nan 0.000 0.468 910 V N 4.799 124.725 119.914 0.020 0.000 2.785 910 V HA 0.588 4.708 4.120 0.000 0.000 0.300 910 V C -1.747 174.324 176.094 -0.039 0.000 1.062 910 V CA -1.922 60.383 62.300 0.009 0.000 1.029 910 V CB 0.969 32.829 31.823 0.061 0.000 1.024 910 V HN 0.614 nan 8.190 nan 0.000 0.477 911 P HA 0.226 nan 4.420 nan 0.000 0.282 911 P C 0.070 177.326 177.300 -0.073 0.000 1.286 911 P CA -0.160 62.842 63.100 -0.163 0.000 0.777 911 P CB 0.891 32.324 31.700 -0.444 0.000 1.184 912 E N -1.314 118.880 120.200 -0.010 0.000 2.479 912 E HA 0.159 4.509 4.350 0.000 0.000 0.193 912 E C 1.133 177.780 176.600 0.079 0.000 1.049 912 E CA -0.004 56.424 56.400 0.047 0.000 0.870 912 E CB 0.055 29.818 29.700 0.105 0.000 0.944 912 E HN 0.557 nan 8.360 nan 0.000 0.492 913 G N 0.396 109.247 108.800 0.086 0.000 3.407 913 G HA2 0.545 4.505 3.960 0.000 0.000 0.187 913 G HA3 0.545 4.505 3.960 0.000 0.000 0.187 913 G C -0.914 174.068 174.900 0.136 0.000 1.262 913 G CA -0.493 44.666 45.100 0.099 0.000 0.808 913 G HN 0.129 nan 8.290 nan 0.000 0.687 914 I N 0.096 120.753 120.570 0.144 0.000 2.619 914 I HA 0.497 4.668 4.170 0.000 0.000 0.292 914 I C -0.490 175.652 176.117 0.042 0.000 1.100 914 I CA -0.987 60.396 61.300 0.139 0.000 1.043 914 I CB 2.022 40.126 38.000 0.174 0.000 1.239 914 I HN 0.198 nan 8.210 nan 0.000 0.420 915 R N 7.263 127.786 120.500 0.039 0.000 2.623 915 R HA 0.392 4.732 4.340 0.000 0.000 0.271 915 R C -1.004 175.177 176.300 -0.199 0.000 1.043 915 R CA 0.222 56.230 56.100 -0.155 0.000 1.083 915 R CB 0.714 30.984 30.300 -0.049 0.000 0.974 915 R HN 0.594 nan 8.270 nan 0.000 0.436 916 M N 3.063 122.479 119.600 -0.307 0.000 2.182 916 M HA 0.186 4.666 4.480 0.000 0.000 0.266 916 M C -1.055 175.210 176.300 -0.059 0.000 0.989 916 M CA -0.867 54.304 55.300 -0.215 0.000 1.003 916 M CB 1.939 34.276 32.600 -0.439 0.000 1.812 916 M HN 0.258 nan 8.290 nan 0.000 0.472 917 N N 3.182 121.878 118.700 -0.006 0.000 2.521 917 N HA 0.207 4.948 4.740 0.000 0.000 0.236 917 N C -0.578 174.966 175.510 0.057 0.000 1.067 917 N CA -0.039 53.029 53.050 0.030 0.000 0.939 917 N CB 1.027 39.516 38.487 0.003 0.000 1.201 917 N HN 0.443 nan 8.380 nan 0.000 0.511 918 K N 1.451 121.911 120.400 0.100 0.000 2.253 918 K HA 0.242 4.562 4.320 0.000 0.000 0.277 918 K C -0.552 176.054 176.600 0.010 0.000 1.053 918 K CA -0.364 55.968 56.287 0.076 0.000 0.892 918 K CB 0.529 33.103 32.500 0.124 0.000 1.102 918 K HN 0.314 nan 8.250 nan 0.000 0.469 919 T N 2.958 117.496 114.554 -0.027 0.000 2.834 919 T HA 0.054 4.404 4.350 0.000 0.000 0.298 919 T C 1.190 175.859 174.700 -0.052 0.000 0.966 919 T CA -0.558 61.505 62.100 -0.062 0.000 1.141 919 T CB 1.291 70.088 68.868 -0.117 0.000 0.905 919 T HN 0.355 nan 8.240 nan 0.000 0.535 920 V N 1.623 121.507 119.914 -0.049 0.000 2.908 920 V HA 0.499 4.619 4.120 0.000 0.000 0.240 920 V C 0.914 176.971 176.094 -0.062 0.000 1.117 920 V CA 0.869 63.143 62.300 -0.044 0.000 1.133 920 V CB -0.058 31.755 31.823 -0.016 0.000 0.857 920 V HN 1.026 nan 8.190 nan 0.000 0.478 921 A N -0.695 122.080 122.820 -0.074 0.000 2.588 921 A HA 0.725 5.045 4.320 0.000 0.000 0.290 921 A C -0.223 177.290 177.584 -0.118 0.000 1.136 921 A CA 0.398 52.377 52.037 -0.095 0.000 0.681 921 A CB 1.828 20.764 19.000 -0.106 0.000 1.282 921 A HN 0.347 nan 8.150 nan 0.000 0.421 922 V N -3.327 116.510 119.914 -0.128 0.000 4.138 922 V HA 0.416 4.537 4.120 0.000 0.000 0.171 922 V C -0.191 175.836 176.094 -0.112 0.000 1.315 922 V CA 0.078 62.288 62.300 -0.149 0.000 1.238 922 V CB -1.172 30.517 31.823 -0.224 0.000 1.358 922 V HN 1.273 nan 8.190 nan 0.000 0.587 923 R N 1.457 121.896 120.500 -0.103 0.000 1.532 923 R HA -0.126 4.215 4.340 0.000 0.000 0.381 923 R C -0.128 176.140 176.300 -0.054 0.000 1.305 923 R CA 1.065 57.123 56.100 -0.070 0.000 1.279 923 R CB -2.630 27.631 30.300 -0.065 0.000 3.596 923 R HN 0.671 nan 8.270 nan 0.000 0.477 924 T N 4.275 118.808 114.554 -0.036 0.000 2.902 924 T HA 0.194 4.545 4.350 0.000 0.000 0.301 924 T C 1.120 175.818 174.700 -0.004 0.000 1.012 924 T CA -0.198 61.895 62.100 -0.013 0.000 1.151 924 T CB 0.517 69.388 68.868 0.005 0.000 0.946 924 T HN 0.282 nan 8.240 nan 0.000 0.542 925 L N 4.321 125.547 121.223 0.005 0.000 2.288 925 L HA 0.346 4.686 4.340 0.000 0.000 0.283 925 L C 0.143 177.028 176.870 0.024 0.000 1.072 925 L CA -0.216 54.631 54.840 0.012 0.000 0.862 925 L CB 0.342 42.410 42.059 0.015 0.000 1.245 925 L HN 0.613 nan 8.230 nan 0.000 0.432 926 D N 4.837 125.250 120.400 0.022 0.000 2.328 926 D HA 0.300 4.941 4.640 0.000 0.000 0.243 926 D C -2.632 173.681 176.300 0.020 0.000 1.324 926 D CA -1.548 52.468 54.000 0.028 0.000 0.966 926 D CB 2.144 42.967 40.800 0.038 0.000 1.324 926 D HN 0.060 nan 8.370 nan 0.000 0.549 927 P HA 0.159 nan 4.420 nan 0.000 0.269 927 P C 0.313 177.621 177.300 0.013 0.000 1.215 927 P CA 0.249 63.356 63.100 0.012 0.000 0.780 927 P CB 0.950 32.656 31.700 0.010 0.000 0.898 928 E N -0.538 119.668 120.200 0.010 0.000 3.805 928 E HA -0.234 4.117 4.350 0.000 0.000 0.198 928 E C 0.022 176.631 176.600 0.014 0.000 1.127 928 E CA 0.528 56.935 56.400 0.011 0.000 2.277 928 E CB -1.306 28.402 29.700 0.013 0.000 1.763 928 E HN 0.453 nan 8.360 nan 0.000 0.404 929 R N 2.352 122.864 120.500 0.020 0.000 2.770 929 R HA 0.020 4.360 4.340 0.000 0.000 0.361 929 R C 0.873 177.182 176.300 0.015 0.000 0.860 929 R CA 1.001 57.114 56.100 0.022 0.000 1.071 929 R CB -0.498 29.823 30.300 0.034 0.000 0.907 929 R HN 0.364 nan 8.270 nan 0.000 0.403 930 L N 1.248 122.477 121.223 0.010 0.000 5.321 930 L HA -0.382 3.958 4.340 0.000 0.000 0.455 930 L C 1.884 178.756 176.870 0.004 0.000 1.009 930 L CA 1.466 56.309 54.840 0.005 0.000 0.944 930 L CB -1.151 40.910 42.059 0.005 0.000 1.536 930 L HN 0.879 nan 8.230 nan 0.000 0.777 931 G N -0.345 108.458 108.800 0.006 0.000 2.527 931 G HA2 -0.065 3.895 3.960 0.000 0.000 0.219 931 G HA3 -0.065 3.895 3.960 0.000 0.000 0.219 931 G C 0.602 175.503 174.900 0.002 0.000 1.117 931 G CA 0.741 45.844 45.100 0.004 0.000 0.759 931 G HN 0.461 nan 8.290 nan 0.000 0.556 932 R N -1.923 118.578 120.500 0.003 0.000 1.324 932 R HA -0.130 4.211 4.340 0.000 0.000 0.434 932 R C 0.639 176.940 176.300 0.002 0.000 1.325 932 R CA 0.617 56.718 56.100 0.001 0.000 1.172 932 R CB -0.972 29.327 30.300 -0.002 0.000 3.276 932 R HN 0.473 nan 8.270 nan 0.000 0.517 933 E N 0.805 121.006 120.200 0.002 0.000 2.153 933 E HA -0.097 4.253 4.350 0.000 0.000 0.194 933 E C 1.157 177.758 176.600 0.002 0.000 0.988 933 E CA 1.279 57.680 56.400 0.002 0.000 0.811 933 E CB -0.028 29.673 29.700 0.001 0.000 0.746 933 E HN 0.613 nan 8.360 nan 0.000 0.466 934 G N 2.886 111.686 108.800 0.001 0.000 2.624 934 G HA2 0.167 4.127 3.960 0.000 0.000 0.292 934 G HA3 0.167 4.127 3.960 0.000 0.000 0.292 934 G C 0.588 175.488 174.900 0.001 0.000 0.777 934 G CA -0.225 44.875 45.100 0.000 0.000 1.883 934 G HN 0.069 nan 8.290 nan 0.000 0.505 935 V N 0.956 120.872 119.914 0.003 0.000 2.953 935 V HA 0.013 4.133 4.120 0.000 0.000 0.304 935 V C 0.811 176.907 176.094 0.004 0.000 1.138 935 V CA -0.596 61.707 62.300 0.005 0.000 1.266 935 V CB 0.344 32.172 31.823 0.007 0.000 0.923 935 V HN 0.703 nan 8.190 nan 0.000 0.505 936 Q N 2.459 122.261 119.800 0.004 0.000 2.263 936 Q HA 0.188 4.528 4.340 0.000 0.000 0.289 936 Q C -0.410 175.588 176.000 -0.003 0.000 1.061 936 Q CA 0.339 56.142 55.803 -0.000 0.000 0.927 936 Q CB 0.363 29.101 28.738 0.001 0.000 1.154 936 Q HN 0.853 nan 8.270 nan 0.000 0.378 937 K N 2.982 123.376 120.400 -0.011 0.000 2.270 937 K HA 0.474 4.794 4.320 0.000 0.000 0.255 937 K C -1.186 175.394 176.600 -0.034 0.000 0.936 937 K CA -0.797 55.480 56.287 -0.017 0.000 0.809 937 K CB 1.918 34.409 32.500 -0.015 0.000 1.131 937 K HN 0.285 nan 8.250 nan 0.000 0.427 938 E N 1.860 122.030 120.200 -0.050 0.000 2.244 938 E HA 0.207 4.557 4.350 0.000 0.000 0.260 938 E C -1.517 175.004 176.600 -0.132 0.000 0.884 938 E CA -0.529 55.822 56.400 -0.082 0.000 0.777 938 E CB 0.961 30.613 29.700 -0.080 0.000 1.197 938 E HN 0.418 nan 8.360 nan 0.000 0.416 939 D N 3.945 124.266 120.400 -0.131 0.000 2.249 939 D HA 0.337 4.977 4.640 0.000 0.000 0.246 939 D C -0.162 176.003 176.300 -0.224 0.000 1.114 939 D CA -0.051 53.850 54.000 -0.165 0.000 0.854 939 D CB 1.004 41.738 40.800 -0.110 0.000 1.132 939 D HN 0.410 nan 8.370 nan 0.000 0.461 940 I N 4.424 124.785 120.570 -0.349 0.000 2.410 940 I HA 0.213 4.383 4.170 0.000 0.000 0.286 940 I C -2.221 173.729 176.117 -0.280 0.000 1.009 940 I CA -1.974 59.090 61.300 -0.394 0.000 1.111 940 I CB 2.390 39.945 38.000 -0.742 0.000 1.262 940 I HN 0.024 nan 8.210 nan 0.000 0.443 941 P HA 0.319 nan 4.420 nan 0.000 0.277 941 P C -2.643 174.620 177.300 -0.060 0.000 1.240 941 P CA -1.729 61.312 63.100 -0.098 0.000 0.798 941 P CB -0.067 31.584 31.700 -0.082 0.000 0.979 942 P HA 0.067 nan 4.420 nan 0.000 0.266 942 P C -0.123 177.139 177.300 -0.063 0.000 1.195 942 P CA 0.287 63.369 63.100 -0.030 0.000 0.768 942 P CB 0.129 31.799 31.700 -0.048 0.000 0.838 943 A N 2.247 125.022 122.820 -0.075 0.000 2.425 943 A HA 0.046 4.366 4.320 0.000 0.000 0.242 943 A C 1.462 178.943 177.584 -0.172 0.000 1.077 943 A CA 0.012 51.976 52.037 -0.122 0.000 0.781 943 A CB -0.127 18.784 19.000 -0.148 0.000 1.020 943 A HN 0.571 nan 8.150 nan 0.000 0.494 944 D N 0.456 120.750 120.400 -0.176 0.000 2.088 944 D HA -0.169 4.471 4.640 0.000 0.000 0.191 944 D C 1.075 177.228 176.300 -0.244 0.000 0.992 944 D CA 1.961 55.860 54.000 -0.168 0.000 0.831 944 D CB -0.305 40.427 40.800 -0.113 0.000 0.973 944 D HN 0.596 nan 8.370 nan 0.000 0.447 945 L N 0.108 121.089 121.223 -0.405 0.000 3.858 945 L HA -0.295 4.045 4.340 0.000 0.000 0.425 945 L C 1.513 178.251 176.870 -0.220 0.000 1.177 945 L CA 0.466 54.993 54.840 -0.522 0.000 0.943 945 L CB -2.490 39.256 42.059 -0.522 0.000 1.861 945 L HN 0.184 nan 8.230 nan 0.000 0.985 946 S N -0.628 115.000 115.700 -0.121 0.000 2.414 946 S HA -0.087 4.383 4.470 0.000 0.000 0.227 946 S C 1.224 175.848 174.600 0.039 0.000 1.022 946 S CA 0.819 58.980 58.200 -0.065 0.000 0.958 946 S CB -0.023 63.148 63.200 -0.048 0.000 0.797 946 S HN 0.662 nan 8.310 nan 0.000 0.493 947 D N 0.584 121.054 120.400 0.117 0.000 2.325 947 D HA 0.103 4.743 4.640 0.000 0.000 0.225 947 D C 0.536 176.995 176.300 0.265 0.000 1.096 947 D CA -0.259 53.844 54.000 0.171 0.000 0.844 947 D CB -0.725 40.173 40.800 0.163 0.000 0.925 947 D HN 0.548 nan 8.370 nan 0.000 0.513 948 Q N 0.465 120.465 119.800 0.333 0.000 2.386 948 Q HA 0.094 4.434 4.340 0.000 0.000 0.282 948 Q C -0.481 175.745 176.000 0.376 0.000 1.050 948 Q CA -0.152 55.925 55.803 0.458 0.000 0.918 948 Q CB 0.992 29.971 28.738 0.400 0.000 1.266 948 Q HN -0.006 nan 8.270 nan 0.000 0.423 949 V N 6.406 126.490 119.914 0.283 0.000 2.508 949 V HA 0.141 4.261 4.120 0.000 0.000 0.281 949 V C -2.059 174.002 176.094 -0.056 0.000 1.041 949 V CA -1.431 60.900 62.300 0.052 0.000 1.016 949 V CB 0.810 32.696 31.823 0.105 0.000 0.984 949 V HN 0.821 nan 8.190 nan 0.000 0.478 950 P HA -0.015 nan 4.420 nan 0.000 0.260 950 P C 0.199 177.238 177.300 -0.434 0.000 1.172 950 P CA 0.695 63.172 63.100 -1.038 0.000 0.760 950 P CB 0.099 31.171 31.700 -1.048 0.000 0.773 951 D N 1.226 121.415 120.400 -0.351 0.000 2.699 951 D HA -0.136 4.504 4.640 0.000 0.000 0.239 951 D C -0.720 175.614 176.300 0.057 0.000 1.136 951 D CA 1.333 55.310 54.000 -0.038 0.000 0.668 951 D CB -1.195 39.583 40.800 -0.038 0.000 1.060 951 D HN 0.434 nan 8.370 nan 0.000 0.429 952 T N -1.863 112.782 114.554 0.152 0.000 2.916 952 T HA 0.692 5.042 4.350 0.000 0.000 0.292 952 T C 0.220 175.061 174.700 0.236 0.000 1.055 952 T CA -1.043 61.160 62.100 0.172 0.000 1.009 952 T CB 1.825 70.804 68.868 0.186 0.000 1.118 952 T HN 0.148 nan 8.240 nan 0.000 0.497 953 E N 1.102 121.429 120.200 0.211 0.000 2.392 953 E HA 0.524 4.874 4.350 0.000 0.000 0.259 953 E C 0.108 176.848 176.600 0.233 0.000 1.108 953 E CA -0.837 55.679 56.400 0.194 0.000 0.916 953 E CB 0.380 30.171 29.700 0.152 0.000 0.989 953 E HN 0.809 nan 8.360 nan 0.000 0.432 954 S N -0.014 115.783 115.700 0.161 0.000 2.671 954 S HA 0.665 5.135 4.470 0.000 0.000 0.299 954 S C -0.974 173.673 174.600 0.078 0.000 1.116 954 S CA -0.974 57.308 58.200 0.136 0.000 0.912 954 S CB 1.385 64.646 63.200 0.101 0.000 1.130 954 S HN 0.752 nan 8.310 nan 0.000 0.501 955 E N -0.172 120.062 120.200 0.057 0.000 2.291 955 E HA 0.499 4.849 4.350 0.000 0.000 0.276 955 E C -1.586 175.018 176.600 0.006 0.000 0.896 955 E CA -0.684 55.731 56.400 0.024 0.000 0.774 955 E CB 1.580 31.296 29.700 0.028 0.000 1.227 955 E HN 0.479 nan 8.360 nan 0.000 0.413 956 T N 3.773 118.314 114.554 -0.021 0.000 2.744 956 T HA 0.348 4.699 4.350 0.000 0.000 0.291 956 T C -0.463 174.208 174.700 -0.047 0.000 0.957 956 T CA -0.670 61.411 62.100 -0.033 0.000 1.002 956 T CB 0.662 69.497 68.868 -0.056 0.000 0.919 956 T HN 0.348 nan 8.240 nan 0.000 0.468 957 R N 4.011 124.493 120.500 -0.030 0.000 2.246 957 R HA 0.422 4.763 4.340 0.000 0.000 0.332 957 R C -0.809 175.475 176.300 -0.027 0.000 0.974 957 R CA -0.554 55.525 56.100 -0.035 0.000 0.837 957 R CB 0.329 30.610 30.300 -0.032 0.000 1.145 957 R HN 0.621 nan 8.270 nan 0.000 0.467 958 I N 5.695 126.243 120.570 -0.037 0.000 2.342 958 I HA 0.285 4.455 4.170 0.000 0.000 0.291 958 I C -0.143 175.958 176.117 -0.027 0.000 1.010 958 I CA -0.517 60.783 61.300 -0.001 0.000 1.308 958 I CB 1.354 39.354 38.000 -0.000 0.000 1.400 958 I HN 0.373 nan 8.210 nan 0.000 0.488 959 L N 7.510 128.717 121.223 -0.027 0.000 2.362 959 L HA 0.592 4.932 4.340 0.000 0.000 0.275 959 L C -1.198 175.639 176.870 -0.055 0.000 0.998 959 L CA -0.467 54.340 54.840 -0.055 0.000 0.820 959 L CB 1.441 43.466 42.059 -0.056 0.000 1.270 959 L HN 0.529 nan 8.230 nan 0.000 0.415 960 L N 4.981 126.153 121.223 -0.085 0.000 2.296 960 L HA 0.504 4.845 4.340 0.000 0.000 0.286 960 L C -0.491 176.353 176.870 -0.043 0.000 1.023 960 L CA -0.316 54.485 54.840 -0.065 0.000 0.812 960 L CB 1.669 43.668 42.059 -0.100 0.000 1.223 960 L HN 0.637 nan 8.230 nan 0.000 0.421 961 Q N 0.931 120.720 119.800 -0.018 0.000 2.333 961 Q HA 0.299 4.639 4.340 0.000 0.000 0.268 961 Q C 0.916 176.935 176.000 0.031 0.000 1.007 961 Q CA -0.272 55.531 55.803 -0.001 0.000 0.810 961 Q CB 2.042 30.775 28.738 -0.009 0.000 1.264 961 Q HN 0.820 nan 8.270 nan 0.000 0.452 962 G N 2.078 110.908 108.800 0.051 0.000 2.509 962 G HA2 -0.063 3.898 3.960 0.000 0.000 0.218 962 G HA3 -0.063 3.898 3.960 0.000 0.000 0.218 962 G C 0.222 175.203 174.900 0.133 0.000 1.124 962 G CA 0.593 45.750 45.100 0.095 0.000 0.776 962 G HN 0.514 nan 8.290 nan 0.000 0.547 963 T N -0.697 113.923 114.554 0.110 0.000 3.041 963 T HA 0.377 4.727 4.350 0.000 0.000 0.321 963 T C -2.204 172.545 174.700 0.083 0.000 1.184 963 T CA -0.707 61.474 62.100 0.136 0.000 1.050 963 T CB 2.744 71.731 68.868 0.198 0.000 1.159 963 T HN -0.294 nan 8.240 nan 0.000 0.469 964 P HA -0.084 nan 4.420 nan 0.000 0.218 964 P C 0.233 177.560 177.300 0.046 0.000 1.150 964 P CA 0.859 63.999 63.100 0.067 0.000 0.841 964 P CB 0.141 31.897 31.700 0.093 0.000 0.784 965 V N -1.132 118.801 119.914 0.032 0.000 2.333 965 V HA 0.536 4.656 4.120 0.000 0.000 0.274 965 V C 0.719 176.792 176.094 -0.035 0.000 1.028 965 V CA 0.595 62.879 62.300 -0.026 0.000 0.851 965 V CB 0.423 32.220 31.823 -0.043 0.000 1.000 965 V HN 0.090 nan 8.190 nan 0.000 0.456 966 A N 3.397 126.187 122.820 -0.051 0.000 1.554 966 A HA 0.085 4.406 4.320 0.000 0.000 0.198 966 A C 1.655 179.213 177.584 -0.043 0.000 1.649 966 A CA 0.636 52.653 52.037 -0.034 0.000 1.362 966 A CB -0.282 18.716 19.000 -0.003 0.000 1.254 966 A HN 0.515 nan 8.150 nan 0.000 0.492 967 Q N 0.239 120.012 119.800 -0.045 0.000 2.096 967 Q HA -0.247 4.093 4.340 0.000 0.000 0.208 967 Q C 2.010 177.968 176.000 -0.071 0.000 0.993 967 Q CA 2.459 58.238 55.803 -0.041 0.000 0.862 967 Q CB -0.259 28.448 28.738 -0.052 0.000 0.915 967 Q HN 0.735 nan 8.270 nan 0.000 0.416 968 M N -0.610 118.880 119.600 -0.183 0.000 2.077 968 M HA -0.132 4.348 4.480 0.000 0.000 0.261 968 M C 2.346 178.504 176.300 -0.238 0.000 1.070 968 M CA 1.870 56.939 55.300 -0.385 0.000 1.125 968 M CB -0.581 31.457 32.600 -0.937 0.000 1.339 968 M HN 0.141 nan 8.290 nan 0.000 0.409 969 T N 0.135 114.633 114.554 -0.093 0.000 2.665 969 T HA -0.222 4.128 4.350 0.000 0.000 0.268 969 T C 1.651 176.385 174.700 0.057 0.000 1.035 969 T CA 1.935 64.094 62.100 0.099 0.000 1.151 969 T CB -0.283 68.597 68.868 0.020 0.000 0.862 969 T HN 0.362 nan 8.240 nan 0.000 0.438 970 E N 0.447 120.669 120.200 0.036 0.000 2.085 970 E HA -0.160 4.190 4.350 0.000 0.000 0.194 970 E C 1.813 178.522 176.600 0.182 0.000 0.994 970 E CA 1.508 58.004 56.400 0.161 0.000 0.801 970 E CB -0.027 29.757 29.700 0.139 0.000 0.743 970 E HN 0.415 nan 8.360 nan 0.000 0.453 971 D N -0.754 119.718 120.400 0.119 0.000 2.162 971 D HA -0.003 4.637 4.640 0.000 0.000 0.205 971 D C 1.710 178.101 176.300 0.152 0.000 0.964 971 D CA 1.229 55.309 54.000 0.132 0.000 0.847 971 D CB -0.429 40.437 40.800 0.110 0.000 0.988 971 D HN 0.244 nan 8.370 nan 0.000 0.480 972 A N 0.524 123.442 122.820 0.162 0.000 2.070 972 A HA -0.112 4.209 4.320 0.000 0.000 0.220 972 A C 2.309 180.017 177.584 0.206 0.000 1.159 972 A CA 0.971 53.132 52.037 0.208 0.000 0.656 972 A CB -0.493 18.708 19.000 0.335 0.000 0.800 972 A HN 0.154 nan 8.150 nan 0.000 0.453 973 V N -0.206 119.849 119.914 0.235 0.000 2.535 973 V HA -0.061 4.059 4.120 0.000 0.000 0.246 973 V C 0.600 176.826 176.094 0.219 0.000 1.045 973 V CA 1.211 63.679 62.300 0.280 0.000 1.058 973 V CB -0.501 31.574 31.823 0.420 0.000 0.689 973 V HN 0.490 nan 8.190 nan 0.000 0.461 974 D N -0.983 119.529 120.400 0.188 0.000 2.256 974 D HA 0.499 5.140 4.640 0.000 0.000 0.250 974 D C 0.918 177.284 176.300 0.110 0.000 1.093 974 D CA 0.604 54.687 54.000 0.139 0.000 0.882 974 D CB 1.738 42.615 40.800 0.128 0.000 1.185 974 D HN 0.138 nan 8.370 nan 0.000 0.437 975 A N 2.856 125.729 122.820 0.088 0.000 1.929 975 A HA -0.102 4.218 4.320 0.000 0.000 0.216 975 A C 1.655 179.274 177.584 0.058 0.000 1.176 975 A CA 1.057 53.138 52.037 0.073 0.000 0.628 975 A CB -0.051 18.986 19.000 0.062 0.000 0.816 975 A HN 0.504 nan 8.150 nan 0.000 0.444 976 E N -1.162 119.069 120.200 0.051 0.000 2.474 976 E HA 0.108 4.458 4.350 0.000 0.000 0.195 976 E C 1.375 177.967 176.600 -0.014 0.000 1.039 976 E CA 0.127 56.544 56.400 0.028 0.000 0.881 976 E CB 0.243 29.969 29.700 0.043 0.000 0.970 976 E HN 0.591 nan 8.360 nan 0.000 0.486 977 R N 0.193 120.705 120.500 0.019 0.000 2.476 977 R HA 0.120 4.461 4.340 0.000 0.000 0.276 977 R C 1.651 177.990 176.300 0.065 0.000 0.941 977 R CA -0.039 56.068 56.100 0.011 0.000 1.088 977 R CB 0.303 30.672 30.300 0.117 0.000 1.216 977 R HN 0.007 nan 8.270 nan 0.000 0.533 978 L N 1.259 122.526 121.223 0.072 0.000 2.131 978 L HA -0.090 4.250 4.340 0.000 0.000 0.210 978 L C 1.378 178.326 176.870 0.130 0.000 1.092 978 L CA 1.837 56.745 54.840 0.114 0.000 0.759 978 L CB -0.015 42.109 42.059 0.109 0.000 0.903 978 L HN -0.083 nan 8.230 nan 0.000 0.435 979 K N -1.166 119.280 120.400 0.076 0.000 2.504 979 K HA -0.065 4.255 4.320 0.000 0.000 0.195 979 K C 1.343 178.037 176.600 0.156 0.000 1.036 979 K CA 0.380 56.726 56.287 0.098 0.000 0.984 979 K CB -0.383 32.142 32.500 0.041 0.000 0.788 979 K HN 0.442 nan 8.250 nan 0.000 0.488 980 H N 0.358 119.488 119.070 0.101 0.000 2.553 980 H HA 0.112 4.669 4.556 0.000 0.000 0.269 980 H C 1.431 176.802 175.328 0.073 0.000 1.011 980 H CA 0.301 56.397 56.048 0.079 0.000 1.150 980 H CB -0.068 29.735 29.762 0.069 0.000 1.339 980 H HN 0.070 nan 8.280 nan 0.000 0.604 981 L N -0.515 120.839 121.223 0.218 0.000 2.567 981 L HA 0.195 4.535 4.340 0.000 0.000 0.225 981 L C -0.240 176.718 176.870 0.147 0.000 1.119 981 L CA 0.324 55.269 54.840 0.176 0.000 0.871 981 L CB 0.610 42.809 42.059 0.234 0.000 1.036 981 L HN -0.006 nan 8.230 nan 0.000 0.459 982 I N -1.312 119.340 120.570 0.136 0.000 2.610 982 I HA 0.066 4.237 4.170 0.000 0.000 0.289 982 I C 0.687 176.827 176.117 0.039 0.000 1.163 982 I CA -0.274 61.069 61.300 0.072 0.000 1.044 982 I CB 2.242 40.314 38.000 0.120 0.000 1.251 982 I HN -0.283 nan 8.210 nan 0.000 0.424 983 V N 1.117 121.000 119.914 -0.051 0.000 3.573 983 V HA 0.120 4.240 4.120 0.000 0.000 0.270 983 V C 0.802 176.827 176.094 -0.114 0.000 1.221 983 V CA 0.636 62.886 62.300 -0.083 0.000 1.163 983 V CB -1.307 30.421 31.823 -0.159 0.000 0.847 983 V HN 0.759 nan 8.190 nan 0.000 0.468 984 T N -1.370 113.114 114.554 -0.116 0.000 2.945 984 T HA 0.637 4.987 4.350 0.000 0.000 0.286 984 T C -2.562 172.204 174.700 0.110 0.000 1.025 984 T CA -2.015 60.030 62.100 -0.091 0.000 1.039 984 T CB 1.759 70.337 68.868 -0.485 0.000 1.068 984 T HN 0.209 nan 8.240 nan 0.000 0.497 985 P HA 0.229 nan 4.420 nan 0.000 0.272 985 P C -0.080 177.473 177.300 0.420 0.000 1.240 985 P CA -0.501 62.770 63.100 0.284 0.000 0.791 985 P CB 0.574 32.411 31.700 0.228 0.000 0.978 986 S N -1.859 114.052 115.700 0.352 0.000 2.901 986 S HA 0.376 4.846 4.470 0.000 0.000 0.248 986 S C 0.797 175.526 174.600 0.214 0.000 1.021 986 S CA -0.293 58.076 58.200 0.282 0.000 1.090 986 S CB -0.533 62.815 63.200 0.245 0.000 1.039 986 S HN 0.598 nan 8.310 nan 0.000 0.514 987 G N 1.229 110.162 108.800 0.222 0.000 3.936 987 G HA2 0.454 4.415 3.960 0.000 0.000 0.296 987 G HA3 0.454 4.415 3.960 0.000 0.000 0.296 987 G C 0.222 175.036 174.900 -0.142 0.000 1.121 987 G CA -0.002 45.158 45.100 0.100 0.000 0.899 987 G HN 0.875 nan 8.290 nan 0.000 0.542 988 C N -2.550 116.595 119.300 -0.257 0.000 3.213 988 C HA 0.839 5.299 4.460 0.000 0.000 0.319 988 C C 2.024 176.499 174.990 -0.858 0.000 1.386 988 C CA 0.214 58.879 59.018 -0.588 0.000 1.494 988 C CB 1.387 28.610 27.740 -0.862 0.000 1.905 988 C HN 0.298 nan 8.230 nan 0.000 0.456 989 G N 0.748 108.881 108.800 -1.112 0.000 2.513 989 G HA2 -0.287 3.673 3.960 0.000 0.000 0.219 989 G HA3 -0.287 3.673 3.960 0.000 0.000 0.219 989 G C 1.206 175.688 174.900 -0.697 0.000 1.160 989 G CA 2.017 46.360 45.100 -1.261 0.000 0.767 989 G HN 1.126 nan 8.290 nan 0.000 0.571 990 E N 0.053 120.059 120.200 -0.323 0.000 2.276 990 E HA 0.089 4.439 4.350 0.000 0.000 0.193 990 E C 2.278 178.920 176.600 0.071 0.000 0.983 990 E CA 0.775 57.172 56.400 -0.005 0.000 0.861 990 E CB -0.434 29.369 29.700 0.172 0.000 0.817 990 E HN 0.497 nan 8.360 nan 0.000 0.485 991 Q N 0.532 120.293 119.800 -0.066 0.000 2.119 991 Q HA -0.086 4.255 4.340 0.000 0.000 0.201 991 Q C 1.720 177.812 176.000 0.153 0.000 0.972 991 Q CA 1.499 57.344 55.803 0.070 0.000 0.847 991 Q CB -0.369 28.339 28.738 -0.049 0.000 0.903 991 Q HN 0.324 nan 8.270 nan 0.000 0.433 992 N N -0.050 118.662 118.700 0.020 0.000 2.585 992 N HA -0.148 4.593 4.740 0.000 0.000 0.188 992 N C 1.130 176.729 175.510 0.148 0.000 1.102 992 N CA 0.510 53.623 53.050 0.103 0.000 0.920 992 N CB 0.062 38.619 38.487 0.117 0.000 0.963 992 N HN 0.114 nan 8.380 nan 0.000 0.447 993 M N -0.113 119.596 119.600 0.181 0.000 2.618 993 M HA 0.231 4.711 4.480 0.000 0.000 0.240 993 M C 0.975 177.344 176.300 0.115 0.000 1.123 993 M CA 0.429 55.836 55.300 0.179 0.000 1.060 993 M CB -0.102 32.681 32.600 0.306 0.000 1.535 993 M HN 0.231 nan 8.290 nan 0.000 0.507 994 I N -1.272 119.427 120.570 0.215 0.000 2.315 994 I HA -0.235 3.935 4.170 0.000 0.000 0.251 994 I C 2.253 178.401 176.117 0.051 0.000 1.125 994 I CA 1.287 62.667 61.300 0.133 0.000 1.392 994 I CB -1.495 36.701 38.000 0.326 0.000 1.065 994 I HN 0.425 nan 8.210 nan 0.000 0.424 995 G N 0.471 109.329 108.800 0.096 0.000 2.499 995 G HA2 -0.206 3.755 3.960 0.000 0.000 0.221 995 G HA3 -0.206 3.755 3.960 0.000 0.000 0.221 995 G C 1.577 176.508 174.900 0.052 0.000 1.109 995 G CA 0.966 46.119 45.100 0.088 0.000 0.749 995 G HN 0.356 nan 8.290 nan 0.000 0.568 996 M N -1.861 117.743 119.600 0.007 0.000 2.741 996 M HA 0.093 4.574 4.480 0.000 0.000 0.211 996 M C 2.606 178.835 176.300 -0.118 0.000 1.811 996 M CA 0.671 55.958 55.300 -0.023 0.000 1.185 996 M CB -0.016 32.603 32.600 0.031 0.000 1.320 996 M HN 0.033 nan 8.290 nan 0.000 0.583 997 T N 2.068 116.486 114.554 -0.227 0.000 2.607 997 T HA -0.113 4.238 4.350 0.000 0.000 0.267 997 T C -1.124 173.398 174.700 -0.297 0.000 1.049 997 T CA 1.791 63.703 62.100 -0.314 0.000 1.162 997 T CB -1.473 67.134 68.868 -0.435 0.000 0.863 997 T HN 0.133 nan 8.240 nan 0.000 0.424 998 P HA -0.082 nan 4.420 nan 0.000 0.214 998 P C 1.697 179.050 177.300 0.088 0.000 1.163 998 P CA 1.509 64.630 63.100 0.035 0.000 0.889 998 P CB -0.412 31.357 31.700 0.115 0.000 0.790 999 T N -0.618 113.962 114.554 0.043 0.000 2.699 999 T HA -0.125 4.225 4.350 0.000 0.000 0.268 999 T C 1.855 176.544 174.700 -0.017 0.000 1.036 999 T CA 1.381 63.519 62.100 0.064 0.000 1.147 999 T CB -1.189 67.713 68.868 0.055 0.000 0.862 999 T HN -0.108 nan 8.240 nan 0.000 0.446 1000 V N 2.155 122.004 119.914 -0.109 0.000 2.261 1000 V HA -0.156 3.964 4.120 0.000 0.000 0.246 1000 V C 2.460 178.382 176.094 -0.286 0.000 1.047 1000 V CA 1.896 64.058 62.300 -0.230 0.000 1.015 1000 V CB -0.754 30.939 31.823 -0.217 0.000 0.642 1000 V HN 0.638 nan 8.190 nan 0.000 0.446 1001 I N 0.289 120.725 120.570 -0.222 0.000 2.394 1001 I HA -0.028 4.143 4.170 0.000 0.000 0.251 1001 I C 2.272 178.258 176.117 -0.218 0.000 1.136 1001 I CA 1.979 63.139 61.300 -0.234 0.000 1.425 1001 I CB -0.691 37.053 38.000 -0.427 0.000 1.079 1001 I HN 0.079 nan 8.210 nan 0.000 0.425 1002 A N 0.858 123.566 122.820 -0.187 0.000 1.898 1002 A HA -0.028 4.292 4.320 0.000 0.000 0.216 1002 A C 2.353 180.017 177.584 0.133 0.000 1.181 1002 A CA 1.936 53.995 52.037 0.037 0.000 0.620 1002 A CB -1.155 17.992 19.000 0.245 0.000 0.819 1002 A HN 0.351 nan 8.150 nan 0.000 0.442 1003 V N -0.383 119.622 119.914 0.152 0.000 2.270 1003 V HA -0.237 3.883 4.120 0.000 0.000 0.245 1003 V C 2.464 178.742 176.094 0.306 0.000 1.043 1003 V CA 2.160 64.657 62.300 0.329 0.000 1.014 1003 V CB -1.082 30.890 31.823 0.248 0.000 0.645 1003 V HN 0.630 nan 8.190 nan 0.000 0.447 1004 H N -0.836 118.313 119.070 0.133 0.000 2.321 1004 H HA -0.252 4.304 4.556 0.000 0.000 0.295 1004 H C 2.131 177.506 175.328 0.077 0.000 1.102 1004 H CA 2.327 58.427 56.048 0.087 0.000 1.266 1004 H CB -0.801 28.979 29.762 0.031 0.000 1.363 1004 H HN 0.599 nan 8.280 nan 0.000 0.492 1005 Y N 1.158 121.498 120.300 0.067 0.000 2.165 1005 Y HA -0.196 4.354 4.550 0.000 0.000 0.286 1005 Y C 2.343 178.202 175.900 -0.069 0.000 1.155 1005 Y CA 1.453 59.537 58.100 -0.025 0.000 1.164 1005 Y CB -0.696 37.714 38.460 -0.083 0.000 0.978 1005 Y HN 0.095 nan 8.280 nan 0.000 0.513 1006 L N -0.229 120.767 121.223 -0.378 0.000 2.313 1006 L HA -0.106 4.234 4.340 0.000 0.000 0.214 1006 L C 1.879 178.543 176.870 -0.344 0.000 1.119 1006 L CA 0.857 55.264 54.840 -0.721 0.000 0.809 1006 L CB -0.460 40.822 42.059 -1.295 0.000 0.933 1006 L HN 0.150 nan 8.230 nan 0.000 0.449 1007 D N 0.184 120.622 120.400 0.063 0.000 2.103 1007 D HA -0.141 4.499 4.640 0.000 0.000 0.199 1007 D C 2.092 178.428 176.300 0.060 0.000 0.978 1007 D CA 1.081 55.212 54.000 0.218 0.000 0.829 1007 D CB 0.054 41.023 40.800 0.282 0.000 0.981 1007 D HN 0.326 nan 8.370 nan 0.000 0.464 1008 E N -0.014 120.180 120.200 -0.009 0.000 2.216 1008 E HA -0.048 4.303 4.350 0.000 0.000 0.192 1008 E C 1.695 178.255 176.600 -0.067 0.000 0.988 1008 E CA 0.949 57.332 56.400 -0.028 0.000 0.834 1008 E CB -0.078 29.611 29.700 -0.020 0.000 0.772 1008 E HN 0.373 nan 8.360 nan 0.000 0.479 1009 T N -1.648 112.813 114.554 -0.154 0.000 3.069 1009 T HA 0.135 4.485 4.350 0.000 0.000 0.252 1009 T C 0.033 174.688 174.700 -0.075 0.000 1.053 1009 T CA -0.273 61.744 62.100 -0.139 0.000 0.964 1009 T CB -0.065 68.648 68.868 -0.258 0.000 1.005 1009 T HN 0.048 nan 8.240 nan 0.000 0.532 1010 E N 1.365 121.525 120.200 -0.068 0.000 2.560 1010 E HA -0.198 4.152 4.350 0.000 0.000 0.158 1010 E C 0.172 176.757 176.600 -0.025 0.000 1.709 1010 E CA 0.232 56.637 56.400 0.007 0.000 0.653 1010 E CB -1.237 28.494 29.700 0.051 0.000 1.090 1010 E HN 0.660 nan 8.360 nan 0.000 0.355 1011 Q N -0.716 118.994 119.800 -0.150 0.000 2.113 1011 Q HA 0.052 4.393 4.340 0.000 0.000 0.225 1011 Q C 0.891 176.830 176.000 -0.102 0.000 0.786 1011 Q CA -0.188 55.489 55.803 -0.210 0.000 0.989 1011 Q CB 0.291 28.767 28.738 -0.437 0.000 1.174 1011 Q HN 0.585 nan 8.270 nan 0.000 0.470 1012 W N 1.882 123.215 121.300 0.055 0.000 2.421 1012 W HA -0.172 4.488 4.660 0.001 0.000 0.270 1012 W C 2.106 178.682 176.519 0.096 0.000 1.233 1012 W CA 1.161 58.583 57.345 0.127 0.000 1.226 1012 W CB 0.342 29.854 29.460 0.085 0.000 1.121 1012 W HN 0.288 nan 8.180 nan 0.000 0.579 1013 E N 1.836 122.190 120.200 0.257 0.000 2.007 1013 E HA -0.248 4.102 4.350 0.000 0.000 0.194 1013 E C 2.035 178.707 176.600 0.120 0.000 0.999 1013 E CA 2.415 58.911 56.400 0.160 0.000 0.811 1013 E CB -0.384 29.384 29.700 0.114 0.000 0.762 1013 E HN 0.294 nan 8.360 nan 0.000 0.450 1014 K N -0.839 119.613 120.400 0.087 0.000 2.155 1014 K HA -0.090 4.231 4.320 0.000 0.000 0.203 1014 K C 2.168 178.826 176.600 0.096 0.000 1.052 1014 K CA 1.203 57.522 56.287 0.053 0.000 0.948 1014 K CB -0.460 32.030 32.500 -0.017 0.000 0.728 1014 K HN 0.187 nan 8.250 nan 0.000 0.448 1015 F N 2.160 122.086 119.950 -0.040 0.000 2.293 1015 F HA 0.181 4.708 4.527 0.000 0.000 0.297 1015 F C 0.560 176.399 175.800 0.065 0.000 1.089 1015 F CA 1.256 59.236 58.000 -0.033 0.000 1.377 1015 F CB 0.360 39.284 39.000 -0.126 0.000 1.051 1015 F HN 0.255 nan 8.300 nan 0.000 0.511 1016 G N 0.975 109.805 108.800 0.051 0.000 3.220 1016 G HA2 -0.082 3.879 3.960 0.000 0.000 0.636 1016 G HA3 -0.082 3.879 3.960 0.000 0.000 0.636 1016 G C -0.121 174.865 174.900 0.143 0.000 1.226 1016 G CA -0.195 44.892 45.100 -0.022 0.000 1.177 1016 G HN 0.368 nan 8.290 nan 0.000 0.527 1017 L N 1.613 122.916 121.223 0.133 0.000 2.201 1017 L HA 0.127 4.467 4.340 0.000 0.000 0.212 1017 L C 2.464 179.315 176.870 -0.031 0.000 1.105 1017 L CA 2.756 57.643 54.840 0.079 0.000 0.775 1017 L CB -0.183 41.891 42.059 0.025 0.000 0.913 1017 L HN 0.731 nan 8.230 nan 0.000 0.440 1018 E N -0.338 119.852 120.200 -0.018 0.000 2.118 1018 E HA -0.248 4.102 4.350 0.000 0.000 0.195 1018 E C 1.983 178.565 176.600 -0.030 0.000 0.992 1018 E CA 1.450 57.828 56.400 -0.037 0.000 0.804 1018 E CB -0.355 29.326 29.700 -0.031 0.000 0.741 1018 E HN 0.434 nan 8.360 nan 0.000 0.458 1019 K N 0.402 120.811 120.400 0.015 0.000 2.211 1019 K HA -0.057 4.263 4.320 0.000 0.000 0.203 1019 K C 2.171 178.836 176.600 0.109 0.000 1.050 1019 K CA 0.826 57.168 56.287 0.092 0.000 0.945 1019 K CB -0.045 32.530 32.500 0.125 0.000 0.732 1019 K HN 0.019 nan 8.250 nan 0.000 0.451 1020 R N 1.036 121.458 120.500 -0.131 0.000 2.061 1020 R HA -0.173 4.167 4.340 0.000 0.000 0.230 1020 R C 2.384 178.530 176.300 -0.257 0.000 1.140 1020 R CA 1.532 57.312 56.100 -0.534 0.000 0.940 1020 R CB -0.083 29.413 30.300 -1.340 0.000 0.839 1020 R HN -0.013 nan 8.270 nan 0.000 0.429 1021 Q N 0.140 119.815 119.800 -0.209 0.000 2.197 1021 Q HA -0.103 4.238 4.340 0.000 0.000 0.207 1021 Q C 1.739 177.703 176.000 -0.059 0.000 0.984 1021 Q CA 2.143 57.872 55.803 -0.124 0.000 0.869 1021 Q CB -0.794 27.885 28.738 -0.099 0.000 0.906 1021 Q HN 0.514 nan 8.270 nan 0.000 0.426 1022 G N -0.374 108.408 108.800 -0.030 0.000 2.418 1022 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 1022 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 1022 G C 1.457 176.381 174.900 0.040 0.000 1.158 1022 G CA 0.978 46.087 45.100 0.015 0.000 0.771 1022 G HN 0.530 nan 8.290 nan 0.000 0.545 1023 A N 0.525 123.382 122.820 0.062 0.000 1.930 1023 A HA 0.141 4.461 4.320 0.000 0.000 0.217 1023 A C 2.300 179.912 177.584 0.046 0.000 1.175 1023 A CA 1.034 53.134 52.037 0.106 0.000 0.627 1023 A CB -0.303 18.832 19.000 0.225 0.000 0.815 1023 A HN 0.274 nan 8.150 nan 0.000 0.443 1024 L N 0.117 121.335 121.223 -0.008 0.000 2.131 1024 L HA -0.117 4.223 4.340 0.000 0.000 0.210 1024 L C 2.358 179.217 176.870 -0.017 0.000 1.092 1024 L CA 1.553 56.374 54.840 -0.032 0.000 0.759 1024 L CB -1.366 40.651 42.059 -0.069 0.000 0.903 1024 L HN 0.421 nan 8.230 nan 0.000 0.435 1025 E N -0.359 119.839 120.200 -0.003 0.000 2.150 1025 E HA -0.143 4.208 4.350 0.000 0.000 0.193 1025 E C 2.413 179.028 176.600 0.026 0.000 0.985 1025 E CA 0.570 56.975 56.400 0.008 0.000 0.814 1025 E CB -0.019 29.688 29.700 0.011 0.000 0.752 1025 E HN 0.443 nan 8.360 nan 0.000 0.466 1026 L N 0.431 121.676 121.223 0.036 0.000 2.017 1026 L HA -0.168 4.172 4.340 0.000 0.000 0.208 1026 L C 2.470 179.368 176.870 0.047 0.000 1.073 1026 L CA 0.986 55.856 54.840 0.050 0.000 0.745 1026 L CB -0.343 41.755 42.059 0.064 0.000 0.894 1026 L HN 0.104 nan 8.230 nan 0.000 0.432 1027 I N -0.576 120.010 120.570 0.026 0.000 2.286 1027 I HA -0.304 3.866 4.170 0.000 0.000 0.248 1027 I C 2.493 178.630 176.117 0.033 0.000 1.115 1027 I CA 1.205 62.512 61.300 0.012 0.000 1.392 1027 I CB -0.338 37.638 38.000 -0.040 0.000 1.065 1027 I HN 0.203 nan 8.210 nan 0.000 0.418 1028 K N 1.081 121.496 120.400 0.025 0.000 1.991 1028 K HA -0.261 4.059 4.320 0.000 0.000 0.212 1028 K C 2.221 178.890 176.600 0.116 0.000 1.049 1028 K CA 1.787 58.113 56.287 0.065 0.000 0.932 1028 K CB -0.206 32.314 32.500 0.033 0.000 0.717 1028 K HN 0.146 nan 8.250 nan 0.000 0.441 1029 K N 0.139 120.585 120.400 0.078 0.000 2.020 1029 K HA -0.174 4.146 4.320 0.000 0.000 0.212 1029 K C 2.194 178.850 176.600 0.093 0.000 1.050 1029 K CA 1.851 58.182 56.287 0.073 0.000 0.929 1029 K CB -0.443 32.092 32.500 0.059 0.000 0.714 1029 K HN 0.293 nan 8.250 nan 0.000 0.443 1030 G N 0.065 108.928 108.800 0.106 0.000 2.476 1030 G HA2 -0.331 3.629 3.960 0.000 0.000 0.218 1030 G HA3 -0.331 3.629 3.960 0.000 0.000 0.218 1030 G C 1.402 176.411 174.900 0.181 0.000 1.164 1030 G CA 1.207 46.386 45.100 0.131 0.000 0.768 1030 G HN 0.498 nan 8.290 nan 0.000 0.560 1031 Y N 2.066 122.389 120.300 0.039 0.000 2.128 1031 Y HA -0.170 4.380 4.550 0.000 0.000 0.284 1031 Y C 3.048 178.993 175.900 0.076 0.000 1.154 1031 Y CA 2.258 60.367 58.100 0.016 0.000 1.149 1031 Y CB -0.694 37.671 38.460 -0.158 0.000 0.976 1031 Y HN 0.196 nan 8.280 nan 0.000 0.505 1032 T N 1.097 115.618 114.554 -0.055 0.000 2.699 1032 T HA -0.262 4.089 4.350 0.000 0.000 0.268 1032 T C 1.719 176.374 174.700 -0.076 0.000 1.036 1032 T CA 1.995 64.015 62.100 -0.133 0.000 1.147 1032 T CB -0.271 68.588 68.868 -0.014 0.000 0.862 1032 T HN 0.535 nan 8.240 nan 0.000 0.446 1033 Q N 0.356 120.172 119.800 0.026 0.000 2.079 1033 Q HA -0.110 4.231 4.340 0.000 0.000 0.200 1033 Q C 2.484 178.589 176.000 0.175 0.000 0.974 1033 Q CA 1.089 56.940 55.803 0.081 0.000 0.840 1033 Q CB -0.254 28.563 28.738 0.131 0.000 0.898 1033 Q HN 0.364 nan 8.270 nan 0.000 0.430 1034 Q N 1.191 121.140 119.800 0.248 0.000 2.226 1034 Q HA -0.074 4.266 4.340 0.000 0.000 0.204 1034 Q C 1.766 178.069 176.000 0.505 0.000 0.975 1034 Q CA 1.039 57.112 55.803 0.449 0.000 0.866 1034 Q CB -0.176 28.814 28.738 0.422 0.000 0.915 1034 Q HN 0.372 nan 8.270 nan 0.000 0.440 1035 L N -0.531 120.808 121.223 0.193 0.000 2.362 1035 L HA -0.068 4.272 4.340 0.000 0.000 0.219 1035 L C 2.078 178.925 176.870 -0.038 0.000 1.134 1035 L CA 0.676 55.553 54.840 0.061 0.000 0.807 1035 L CB -0.527 41.439 42.059 -0.155 0.000 0.927 1035 L HN 0.228 nan 8.230 nan 0.000 0.447 1036 A N -0.383 122.389 122.820 -0.080 0.000 2.067 1036 A HA -0.133 4.187 4.320 0.000 0.000 0.219 1036 A C 1.798 179.149 177.584 -0.388 0.000 1.158 1036 A CA 1.290 53.150 52.037 -0.295 0.000 0.661 1036 A CB -0.536 18.190 19.000 -0.457 0.000 0.801 1036 A HN 0.406 nan 8.150 nan 0.000 0.452 1037 F N -0.816 119.137 119.950 0.004 0.000 2.746 1037 F HA 0.228 4.755 4.527 0.000 0.000 0.297 1037 F C 1.259 176.956 175.800 -0.171 0.000 1.113 1037 F CA -0.101 57.905 58.000 0.010 0.000 1.367 1037 F CB 0.152 39.241 39.000 0.148 0.000 1.111 1037 F HN -0.015 nan 8.300 nan 0.000 0.590 1038 R N 2.141 122.447 120.500 -0.324 0.000 2.442 1038 R HA 0.158 4.498 4.340 0.000 0.000 0.291 1038 R C -0.368 175.656 176.300 -0.460 0.000 1.069 1038 R CA 0.291 55.846 56.100 -0.907 0.000 1.022 1038 R CB 0.456 30.153 30.300 -1.005 0.000 0.976 1038 R HN 0.305 nan 8.270 nan 0.000 0.443 1039 Q N 3.846 123.385 119.800 -0.434 0.000 2.418 1039 Q HA 0.469 4.809 4.340 0.000 0.000 0.276 1039 Q C -2.331 173.511 176.000 -0.263 0.000 1.081 1039 Q CA -2.139 53.500 55.803 -0.272 0.000 0.864 1039 Q CB 1.922 30.537 28.738 -0.205 0.000 1.384 1039 Q HN 0.507 nan 8.270 nan 0.000 0.467 1040 P HA -0.025 nan 4.420 nan 0.000 0.271 1040 P C -0.963 176.237 177.300 -0.166 0.000 1.226 1040 P CA 0.128 63.143 63.100 -0.141 0.000 0.765 1040 P CB 0.680 32.331 31.700 -0.082 0.000 0.835 1041 S N 1.663 117.252 115.700 -0.185 0.000 2.474 1041 S HA 0.387 4.858 4.470 0.000 0.000 0.321 1041 S C 0.430 174.884 174.600 -0.243 0.000 1.080 1041 S CA -0.219 57.891 58.200 -0.151 0.000 1.106 1041 S CB -0.034 63.147 63.200 -0.031 0.000 0.984 1041 S HN 0.388 nan 8.310 nan 0.000 0.464 1042 S N 1.388 116.939 115.700 -0.248 0.000 3.476 1042 S HA -0.238 4.232 4.470 0.000 0.000 0.309 1042 S C 1.101 175.521 174.600 -0.300 0.000 1.222 1042 S CA 0.694 58.765 58.200 -0.216 0.000 0.922 1042 S CB -2.257 60.937 63.200 -0.010 0.000 1.023 1042 S HN 1.464 nan 8.310 nan 0.000 0.591 1043 A N -0.078 122.414 122.820 -0.547 0.000 1.943 1043 A HA 0.638 4.958 4.320 0.000 0.000 0.213 1043 A C 0.701 178.091 177.584 -0.324 0.000 1.181 1043 A CA 0.537 52.079 52.037 -0.825 0.000 0.653 1043 A CB -0.206 18.114 19.000 -1.132 0.000 0.833 1043 A HN 1.091 nan 8.150 nan 0.000 0.451 1044 F N -2.006 117.788 119.950 -0.262 0.000 2.121 1044 F HA -0.023 4.504 4.527 0.001 0.000 0.470 1044 F C 0.402 176.155 175.800 -0.078 0.000 1.232 1044 F CA 0.304 58.233 58.000 -0.118 0.000 1.518 1044 F CB -1.070 37.858 39.000 -0.120 0.000 2.410 1044 F HN 0.503 nan 8.300 nan 0.000 0.729 1045 A N 3.042 125.956 122.820 0.158 0.000 2.350 1045 A HA 0.904 5.225 4.320 0.000 0.000 0.318 1045 A C 0.677 178.327 177.584 0.110 0.000 1.132 1045 A CA -0.255 51.856 52.037 0.123 0.000 0.811 1045 A CB 1.453 20.513 19.000 0.099 0.000 1.313 1045 A HN 1.492 nan 8.150 nan 0.000 0.454 1046 A N 0.005 122.826 122.820 0.002 0.000 2.015 1046 A HA 0.368 4.688 4.320 0.000 0.000 0.219 1046 A C 0.114 177.334 177.584 -0.607 0.000 1.163 1046 A CA 1.198 53.045 52.037 -0.316 0.000 0.646 1046 A CB -0.370 18.452 19.000 -0.297 0.000 0.806 1046 A HN 0.661 nan 8.150 nan 0.000 0.448 1047 F N -1.689 118.365 119.950 0.173 0.000 2.569 1047 F HA 0.432 4.960 4.527 0.000 0.000 0.312 1047 F C 0.129 175.999 175.800 0.117 0.000 1.109 1047 F CA -1.264 56.841 58.000 0.175 0.000 0.919 1047 F CB 1.718 40.747 39.000 0.048 0.000 1.211 1047 F HN 0.017 nan 8.300 nan 0.000 0.446 1048 V N 2.459 122.483 119.914 0.182 0.000 2.752 1048 V HA 0.077 4.197 4.120 0.000 0.000 0.306 1048 V C 0.603 176.720 176.094 0.039 0.000 1.099 1048 V CA -0.534 61.768 62.300 0.003 0.000 1.240 1048 V CB 0.116 31.854 31.823 -0.142 0.000 0.887 1048 V HN 0.854 nan 8.190 nan 0.000 0.499 1049 K N 2.919 123.322 120.400 0.005 0.000 3.653 1049 K HA -0.188 4.132 4.320 0.000 0.000 0.275 1049 K C -0.067 176.556 176.600 0.040 0.000 0.962 1049 K CA 1.243 57.533 56.287 0.005 0.000 0.773 1049 K CB -0.693 31.800 32.500 -0.012 0.000 1.463 1049 K HN 0.986 nan 8.250 nan 0.000 0.450 1050 R N -0.414 120.124 120.500 0.063 0.000 2.733 1050 R HA 0.519 4.859 4.340 0.000 0.000 0.272 1050 R C -1.239 175.109 176.300 0.080 0.000 1.029 1050 R CA -0.247 55.903 56.100 0.084 0.000 0.888 1050 R CB 1.203 31.590 30.300 0.145 0.000 1.251 1050 R HN 0.250 nan 8.270 nan 0.000 0.464 1051 A N 3.010 125.881 122.820 0.084 0.000 2.584 1051 A HA 0.181 4.502 4.320 0.000 0.000 0.239 1051 A C -2.095 175.548 177.584 0.098 0.000 1.043 1051 A CA -0.379 51.710 52.037 0.086 0.000 0.756 1051 A CB -0.417 18.637 19.000 0.089 0.000 0.963 1051 A HN 0.295 nan 8.150 nan 0.000 0.511 1052 P HA 0.239 nan 4.420 nan 0.000 0.282 1052 P C -0.392 177.012 177.300 0.174 0.000 1.249 1052 P CA -0.238 62.899 63.100 0.062 0.000 0.806 1052 P CB 1.471 33.123 31.700 -0.081 0.000 0.984 1053 S N 1.026 116.836 115.700 0.183 0.000 2.475 1053 S HA 0.312 4.783 4.470 0.000 0.000 0.298 1053 S C 1.143 175.972 174.600 0.382 0.000 1.119 1053 S CA -0.333 58.026 58.200 0.264 0.000 1.085 1053 S CB 0.317 63.653 63.200 0.227 0.000 1.028 1053 S HN 0.376 nan 8.310 nan 0.000 0.489 1054 T N 3.869 118.675 114.554 0.419 0.000 2.812 1054 T HA -0.062 4.289 4.350 0.000 0.000 0.264 1054 T C 1.209 176.111 174.700 0.338 0.000 1.042 1054 T CA 1.110 63.459 62.100 0.415 0.000 1.140 1054 T CB -0.424 68.609 68.868 0.275 0.000 0.870 1054 T HN 0.848 nan 8.240 nan 0.000 0.445 1055 W N 1.620 123.007 121.300 0.146 0.000 2.358 1055 W HA -0.053 4.607 4.660 0.000 0.000 0.303 1055 W C 1.929 178.557 176.519 0.181 0.000 1.208 1055 W CA 0.603 58.019 57.345 0.118 0.000 1.274 1055 W CB -0.469 28.947 29.460 -0.072 0.000 1.138 1055 W HN 0.138 nan 8.180 nan 0.000 0.515 1056 L N 0.551 121.996 121.223 0.369 0.000 2.056 1056 L HA -0.121 4.219 4.340 0.000 0.000 0.207 1056 L C 2.292 179.169 176.870 0.013 0.000 1.078 1056 L CA 2.814 57.774 54.840 0.199 0.000 0.749 1056 L CB -1.361 40.821 42.059 0.206 0.000 0.901 1056 L HN -0.059 nan 8.230 nan 0.000 0.433 1057 T N 0.261 114.863 114.554 0.080 0.000 2.652 1057 T HA -0.214 4.136 4.350 0.000 0.000 0.267 1057 T C 1.962 176.603 174.700 -0.098 0.000 1.039 1057 T CA 1.614 63.724 62.100 0.017 0.000 1.153 1057 T CB -0.872 68.143 68.868 0.245 0.000 0.863 1057 T HN 0.522 nan 8.240 nan 0.000 0.428 1058 A N 1.033 123.825 122.820 -0.047 0.000 1.884 1058 A HA -0.222 4.099 4.320 0.000 0.000 0.219 1058 A C 2.120 179.526 177.584 -0.298 0.000 1.197 1058 A CA 2.222 54.142 52.037 -0.195 0.000 0.637 1058 A CB -1.325 17.553 19.000 -0.204 0.000 0.827 1058 A HN 0.562 nan 8.150 nan 0.000 0.450 1059 Y N 0.692 120.769 120.300 -0.371 0.000 2.053 1059 Y HA -0.221 4.329 4.550 0.000 0.000 0.277 1059 Y C 2.509 178.172 175.900 -0.395 0.000 1.159 1059 Y CA 1.929 59.801 58.100 -0.380 0.000 1.125 1059 Y CB -0.755 37.462 38.460 -0.406 0.000 0.969 1059 Y HN 0.061 nan 8.280 nan 0.000 0.492 1060 V N -0.886 118.682 119.914 -0.576 0.000 2.392 1060 V HA -0.322 3.798 4.120 0.000 0.000 0.249 1060 V C 2.466 178.032 176.094 -0.880 0.000 1.059 1060 V CA 1.718 63.430 62.300 -0.979 0.000 1.051 1060 V CB -1.016 29.937 31.823 -1.450 0.000 0.658 1060 V HN 0.355 nan 8.190 nan 0.000 0.455 1061 V N -0.326 119.263 119.914 -0.542 0.000 2.407 1061 V HA -0.310 3.810 4.120 0.000 0.000 0.248 1061 V C 2.413 178.375 176.094 -0.220 0.000 1.055 1061 V CA 2.383 64.508 62.300 -0.292 0.000 1.049 1061 V CB -0.598 31.120 31.823 -0.176 0.000 0.662 1061 V HN 0.560 nan 8.190 nan 0.000 0.455 1062 K N -0.076 120.140 120.400 -0.306 0.000 1.973 1062 K HA -0.160 4.160 4.320 0.000 0.000 0.212 1062 K C 2.053 178.545 176.600 -0.180 0.000 1.047 1062 K CA 1.967 58.108 56.287 -0.243 0.000 0.937 1062 K CB -0.281 32.043 32.500 -0.293 0.000 0.721 1062 K HN 0.311 nan 8.250 nan 0.000 0.440 1063 V N 1.158 120.902 119.914 -0.282 0.000 2.332 1063 V HA -0.257 3.863 4.120 0.000 0.000 0.248 1063 V C 2.297 178.429 176.094 0.064 0.000 1.055 1063 V CA 1.707 63.912 62.300 -0.158 0.000 1.038 1063 V CB -0.722 30.938 31.823 -0.271 0.000 0.651 1063 V HN 0.227 nan 8.190 nan 0.000 0.450 1064 F N 1.277 121.108 119.950 -0.198 0.000 2.069 1064 F HA -0.172 4.355 4.527 0.000 0.000 0.298 1064 F C 2.785 178.520 175.800 -0.109 0.000 1.113 1064 F CA 1.630 59.552 58.000 -0.130 0.000 1.214 1064 F CB -1.370 37.577 39.000 -0.088 0.000 0.978 1064 F HN 0.081 nan 8.300 nan 0.000 0.474 1065 S N -0.200 115.562 115.700 0.104 0.000 2.400 1065 S HA -0.164 4.306 4.470 0.000 0.000 0.232 1065 S C 1.851 176.464 174.600 0.022 0.000 1.025 1065 S CA 0.797 59.017 58.200 0.033 0.000 0.993 1065 S CB -0.521 62.677 63.200 -0.004 0.000 0.808 1065 S HN 0.193 nan 8.310 nan 0.000 0.478 1066 L N 0.382 121.622 121.223 0.028 0.000 2.591 1066 L HA 0.332 4.672 4.340 0.000 0.000 0.228 1066 L C 1.568 178.502 176.870 0.107 0.000 1.133 1066 L CA 0.360 55.254 54.840 0.090 0.000 0.880 1066 L CB -0.321 41.788 42.059 0.084 0.000 1.033 1066 L HN 0.246 nan 8.230 nan 0.000 0.450 1067 A N -2.027 120.794 122.820 0.002 0.000 2.358 1067 A HA 0.149 4.470 4.320 0.000 0.000 0.223 1067 A C 1.950 179.473 177.584 -0.101 0.000 1.218 1067 A CA 0.615 52.604 52.037 -0.081 0.000 0.942 1067 A CB -0.340 18.573 19.000 -0.145 0.000 1.005 1067 A HN 0.188 nan 8.150 nan 0.000 0.514 1068 V N 0.035 119.904 119.914 -0.075 0.000 2.439 1068 V HA -0.340 3.780 4.120 0.000 0.000 0.253 1068 V C 1.913 177.965 176.094 -0.070 0.000 1.074 1068 V CA 2.565 64.809 62.300 -0.093 0.000 1.076 1068 V CB -1.212 30.580 31.823 -0.052 0.000 0.664 1068 V HN 0.728 nan 8.190 nan 0.000 0.461 1069 N N 0.427 119.115 118.700 -0.020 0.000 2.171 1069 N HA -0.069 4.671 4.740 0.000 0.000 0.184 1069 N C 1.859 177.354 175.510 -0.024 0.000 1.021 1069 N CA 1.731 54.780 53.050 -0.002 0.000 0.854 1069 N CB -0.037 38.483 38.487 0.055 0.000 0.994 1069 N HN 0.582 nan 8.380 nan 0.000 0.426 1070 L N 0.728 121.927 121.223 -0.039 0.000 2.049 1070 L HA 0.120 4.460 4.340 0.000 0.000 0.203 1070 L C 1.436 178.247 176.870 -0.098 0.000 1.074 1070 L CA 0.714 55.514 54.840 -0.066 0.000 0.749 1070 L CB -0.248 41.750 42.059 -0.101 0.000 0.907 1070 L HN 0.256 nan 8.230 nan 0.000 0.439 1071 I N -3.622 116.862 120.570 -0.144 0.000 3.170 1071 I HA 0.662 4.832 4.170 0.000 0.000 0.312 1071 I C -0.118 175.867 176.117 -0.219 0.000 1.085 1071 I CA -1.204 59.993 61.300 -0.171 0.000 0.999 1071 I CB 1.609 39.492 38.000 -0.196 0.000 1.233 1071 I HN -0.201 nan 8.210 nan 0.000 0.467 1072 A N 3.941 126.632 122.820 -0.215 0.000 2.438 1072 A HA 0.508 4.828 4.320 0.000 0.000 0.280 1072 A C -0.208 177.134 177.584 -0.405 0.000 1.160 1072 A CA -0.137 51.767 52.037 -0.222 0.000 0.821 1072 A CB -0.556 18.363 19.000 -0.135 0.000 1.101 1072 A HN 0.493 nan 8.150 nan 0.000 0.515 1073 I N 2.652 122.985 120.570 -0.396 0.000 2.336 1073 I HA 0.133 4.303 4.170 0.000 0.000 0.292 1073 I C 0.052 176.045 176.117 -0.206 0.000 0.991 1073 I CA -0.541 60.452 61.300 -0.513 0.000 1.227 1073 I CB 1.330 39.041 38.000 -0.481 0.000 1.366 1073 I HN 0.636 nan 8.210 nan 0.000 0.466 1074 D N 4.108 124.458 120.400 -0.083 0.000 2.368 1074 D HA -0.028 4.613 4.640 0.000 0.000 0.268 1074 D C 1.477 177.812 176.300 0.058 0.000 1.298 1074 D CA 0.302 54.325 54.000 0.038 0.000 0.938 1074 D CB 0.947 41.824 40.800 0.128 0.000 1.101 1074 D HN 0.581 nan 8.370 nan 0.000 0.509 1075 S N 3.339 119.059 115.700 0.032 0.000 2.419 1075 S HA -0.252 4.218 4.470 0.000 0.000 0.235 1075 S C 1.610 176.254 174.600 0.074 0.000 1.019 1075 S CA 0.714 58.943 58.200 0.047 0.000 0.982 1075 S CB -0.191 63.025 63.200 0.026 0.000 0.789 1075 S HN 0.561 nan 8.310 nan 0.000 0.490 1076 Q N 0.794 120.637 119.800 0.071 0.000 2.050 1076 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 1076 Q C 2.535 178.599 176.000 0.107 0.000 0.980 1076 Q CA 1.599 57.448 55.803 0.075 0.000 0.840 1076 Q CB -0.756 28.017 28.738 0.058 0.000 0.898 1076 Q HN 0.572 nan 8.270 nan 0.000 0.424 1077 V N 1.271 121.273 119.914 0.147 0.000 2.307 1077 V HA -0.237 3.883 4.120 0.000 0.000 0.245 1077 V C 2.345 178.612 176.094 0.289 0.000 1.045 1077 V CA 1.480 63.912 62.300 0.221 0.000 1.024 1077 V CB -0.619 31.395 31.823 0.320 0.000 0.651 1077 V HN 0.236 nan 8.190 nan 0.000 0.449 1078 L N -0.127 121.263 121.223 0.278 0.000 2.005 1078 L HA -0.144 4.196 4.340 0.000 0.000 0.207 1078 L C 2.281 179.258 176.870 0.179 0.000 1.072 1078 L CA 2.328 57.332 54.840 0.272 0.000 0.744 1078 L CB -0.854 41.329 42.059 0.207 0.000 0.895 1078 L HN 0.342 nan 8.230 nan 0.000 0.433 1079 c N 0.155 118.836 118.600 0.134 0.000 2.468 1079 c HA 0.155 4.725 4.570 0.000 0.000 0.277 1079 c C 2.706 176.867 174.090 0.119 0.000 1.400 1079 c CA 0.203 56.596 56.329 0.106 0.000 1.770 1079 c CB -1.713 40.843 42.510 0.077 0.000 1.905 1079 c HN 0.769 nan 8.230 nan 0.000 0.519 1080 G N 0.718 109.595 108.800 0.128 0.000 2.432 1080 G HA2 -0.035 3.925 3.960 0.000 0.000 0.219 1080 G HA3 -0.035 3.925 3.960 0.000 0.000 0.219 1080 G C 1.817 176.832 174.900 0.192 0.000 1.135 1080 G CA 1.067 46.249 45.100 0.136 0.000 0.767 1080 G HN 0.583 nan 8.290 nan 0.000 0.550 1081 A N 0.200 123.141 122.820 0.201 0.000 1.872 1081 A HA 0.150 4.470 4.320 0.000 0.000 0.214 1081 A C 2.578 180.327 177.584 0.275 0.000 1.187 1081 A CA 1.622 53.813 52.037 0.257 0.000 0.614 1081 A CB -0.605 18.539 19.000 0.240 0.000 0.826 1081 A HN 0.231 nan 8.150 nan 0.000 0.442 1082 V N 0.377 120.396 119.914 0.175 0.000 2.392 1082 V HA -0.277 3.843 4.120 0.000 0.000 0.249 1082 V C 2.488 178.670 176.094 0.146 0.000 1.059 1082 V CA 2.375 64.751 62.300 0.128 0.000 1.051 1082 V CB -0.692 31.178 31.823 0.078 0.000 0.658 1082 V HN 0.608 nan 8.190 nan 0.000 0.455 1083 K N -1.462 119.033 120.400 0.158 0.000 2.147 1083 K HA -0.239 4.082 4.320 0.000 0.000 0.205 1083 K C 1.958 178.670 176.600 0.187 0.000 1.049 1083 K CA 1.767 58.141 56.287 0.143 0.000 0.936 1083 K CB -0.182 32.396 32.500 0.130 0.000 0.722 1083 K HN 0.636 nan 8.250 nan 0.000 0.446 1084 W N 1.048 122.386 121.300 0.063 0.000 2.441 1084 W HA -0.068 4.592 4.660 0.000 0.000 0.302 1084 W C 1.371 177.943 176.519 0.087 0.000 1.191 1084 W CA 0.942 58.328 57.345 0.067 0.000 1.327 1084 W CB -0.315 29.187 29.460 0.070 0.000 1.128 1084 W HN -0.081 nan 8.180 nan 0.000 0.522 1085 L N 0.364 121.666 121.223 0.132 0.000 2.042 1085 L HA -0.267 4.073 4.340 0.000 0.000 0.210 1085 L C 2.410 179.286 176.870 0.010 0.000 1.076 1085 L CA 1.671 56.484 54.840 -0.046 0.000 0.749 1085 L CB -0.840 41.279 42.059 0.101 0.000 0.893 1085 L HN 0.047 nan 8.230 nan 0.000 0.432 1086 I N -0.792 119.822 120.570 0.072 0.000 2.193 1086 I HA -0.267 3.904 4.170 0.000 0.000 0.240 1086 I C 2.326 178.411 176.117 -0.055 0.000 1.084 1086 I CA 1.194 62.534 61.300 0.067 0.000 1.365 1086 I CB -0.172 37.872 38.000 0.073 0.000 1.064 1086 I HN 0.173 nan 8.210 nan 0.000 0.410 1087 L N -0.032 121.153 121.223 -0.063 0.000 2.217 1087 L HA -0.132 4.209 4.340 0.000 0.000 0.211 1087 L C 2.044 178.831 176.870 -0.139 0.000 1.107 1087 L CA 1.384 56.178 54.840 -0.076 0.000 0.783 1087 L CB -0.246 41.799 42.059 -0.025 0.000 0.919 1087 L HN 0.313 nan 8.230 nan 0.000 0.442 1088 E N -1.437 118.607 120.200 -0.259 0.000 2.421 1088 E HA 0.009 4.359 4.350 0.000 0.000 0.209 1088 E C 1.543 177.934 176.600 -0.350 0.000 0.871 1088 E CA -0.083 56.124 56.400 -0.322 0.000 1.064 1088 E CB 0.626 30.049 29.700 -0.462 0.000 1.075 1088 E HN 0.098 nan 8.360 nan 0.000 0.513 1089 K N 0.654 120.822 120.400 -0.387 0.000 2.370 1089 K HA 0.124 4.444 4.320 0.000 0.000 0.194 1089 K C 0.482 176.992 176.600 -0.149 0.000 1.070 1089 K CA 0.123 56.249 56.287 -0.268 0.000 0.998 1089 K CB 0.691 32.997 32.500 -0.323 0.000 0.911 1089 K HN 0.033 nan 8.250 nan 0.000 0.533 1090 Q N 2.104 121.762 119.800 -0.236 0.000 2.314 1090 Q HA 0.104 4.444 4.340 0.000 0.000 0.257 1090 Q C -0.843 174.939 176.000 -0.364 0.000 0.975 1090 Q CA -0.145 55.347 55.803 -0.518 0.000 0.933 1090 Q CB 0.686 28.991 28.738 -0.723 0.000 1.195 1090 Q HN -0.094 nan 8.270 nan 0.000 0.426 1091 K N 4.697 124.883 120.400 -0.355 0.000 2.319 1091 K HA 0.069 4.389 4.320 0.000 0.000 0.265 1091 K C -1.851 174.594 176.600 -0.259 0.000 1.000 1091 K CA -1.520 54.612 56.287 -0.259 0.000 0.943 1091 K CB 0.453 32.812 32.500 -0.236 0.000 0.950 1091 K HN 0.475 nan 8.250 nan 0.000 0.485 1092 P HA -0.172 nan 4.420 nan 0.000 0.223 1092 P C -0.043 177.171 177.300 -0.143 0.000 1.144 1092 P CA 1.158 64.172 63.100 -0.144 0.000 0.783 1092 P CB 0.150 31.791 31.700 -0.098 0.000 0.771 1093 D N -1.579 118.718 120.400 -0.173 0.000 2.312 1093 D HA -0.028 4.612 4.640 0.000 0.000 0.211 1093 D C 1.770 177.943 176.300 -0.211 0.000 0.964 1093 D CA 1.431 55.337 54.000 -0.157 0.000 0.877 1093 D CB -0.445 40.244 40.800 -0.185 0.000 0.924 1093 D HN 0.268 nan 8.370 nan 0.000 0.515 1094 G N 0.025 108.635 108.800 -0.318 0.000 2.218 1094 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 1094 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 1094 G C 0.402 174.955 174.900 -0.578 0.000 0.994 1094 G CA 0.145 45.034 45.100 -0.351 0.000 0.637 1094 G HN 0.306 nan 8.290 nan 0.000 0.505 1095 V N 1.234 120.709 119.914 -0.733 0.000 3.051 1095 V HA 0.594 4.715 4.120 0.000 0.000 0.306 1095 V C 0.562 176.312 176.094 -0.574 0.000 1.083 1095 V CA 0.072 61.961 62.300 -0.685 0.000 1.104 1095 V CB 0.856 32.257 31.823 -0.703 0.000 1.027 1095 V HN 0.197 nan 8.190 nan 0.000 0.483 1096 F N 0.943 120.796 119.950 -0.162 0.000 2.450 1096 F HA 0.475 5.002 4.527 0.000 0.000 0.332 1096 F C 0.490 176.247 175.800 -0.072 0.000 1.093 1096 F CA -0.542 57.398 58.000 -0.100 0.000 1.003 1096 F CB 1.302 40.278 39.000 -0.040 0.000 1.151 1096 F HN 0.351 nan 8.300 nan 0.000 0.474 1097 Q N 1.532 121.387 119.800 0.092 0.000 2.230 1097 Q HA 0.272 4.612 4.340 0.000 0.000 0.248 1097 Q C -0.880 175.178 176.000 0.097 0.000 0.915 1097 Q CA -0.631 55.201 55.803 0.048 0.000 0.900 1097 Q CB 2.118 30.847 28.738 -0.015 0.000 1.229 1097 Q HN 0.563 nan 8.270 nan 0.000 0.439 1098 E N 1.075 121.332 120.200 0.095 0.000 2.145 1098 E HA 0.197 4.547 4.350 0.000 0.000 0.270 1098 E C -0.813 175.847 176.600 0.099 0.000 0.906 1098 E CA -0.136 56.337 56.400 0.121 0.000 0.761 1098 E CB 0.763 30.534 29.700 0.118 0.000 1.116 1098 E HN 0.317 nan 8.360 nan 0.000 0.408 1099 D N 2.675 123.152 120.400 0.129 0.000 2.454 1099 D HA 0.228 4.869 4.640 0.000 0.000 0.214 1099 D C 0.121 176.489 176.300 0.115 0.000 1.088 1099 D CA 0.166 54.234 54.000 0.112 0.000 0.855 1099 D CB 0.516 41.393 40.800 0.128 0.000 1.025 1099 D HN 0.477 nan 8.370 nan 0.000 0.502 1100 A N 1.931 124.835 122.820 0.141 0.000 2.296 1100 A HA 0.475 4.795 4.320 0.000 0.000 0.264 1100 A C -2.179 175.455 177.584 0.084 0.000 1.097 1100 A CA -0.892 51.216 52.037 0.119 0.000 0.811 1100 A CB -0.279 18.807 19.000 0.144 0.000 1.072 1100 A HN -0.096 nan 8.150 nan 0.000 0.495 1101 P HA 0.220 nan 4.420 nan 0.000 0.268 1101 P C -0.192 177.126 177.300 0.029 0.000 1.204 1101 P CA 0.018 63.144 63.100 0.045 0.000 0.768 1101 P CB 0.369 32.100 31.700 0.052 0.000 0.842 1102 V N 1.798 121.705 119.914 -0.012 0.000 2.572 1102 V HA 0.077 4.198 4.120 0.000 0.000 0.291 1102 V C 1.667 177.690 176.094 -0.118 0.000 1.039 1102 V CA 0.035 62.288 62.300 -0.078 0.000 1.055 1102 V CB -0.302 31.451 31.823 -0.115 0.000 0.969 1102 V HN 0.405 nan 8.190 nan 0.000 0.482 1103 I N 2.020 122.465 120.570 -0.208 0.000 2.406 1103 I HA 0.038 4.208 4.170 0.000 0.000 0.249 1103 I C 1.455 177.367 176.117 -0.342 0.000 1.122 1103 I CA 0.940 62.109 61.300 -0.218 0.000 1.431 1103 I CB -0.259 37.584 38.000 -0.261 0.000 1.087 1103 I HN 0.795 nan 8.210 nan 0.000 0.424 1104 H N 1.286 119.880 119.070 -0.794 0.000 2.693 1104 H HA 0.209 4.765 4.556 0.000 0.000 0.348 1104 H C -0.366 174.662 175.328 -0.500 0.000 1.222 1104 H CA -0.887 54.636 56.048 -0.876 0.000 1.270 1104 H CB 1.142 30.011 29.762 -1.489 0.000 1.798 1104 H HN 0.011 nan 8.280 nan 0.000 0.592 1105 Q N 2.437 121.709 119.800 -0.878 0.000 3.953 1105 Q HA -0.192 4.148 4.340 0.000 0.000 0.399 1105 Q C -0.071 175.672 176.000 -0.429 0.000 1.023 1105 Q CA 0.220 55.569 55.803 -0.757 0.000 1.305 1105 Q CB 0.205 28.293 28.738 -1.084 0.000 1.091 1105 Q HN 0.491 nan 8.270 nan 0.000 0.491 1114 N N 1.114 119.830 118.700 0.027 0.000 2.850 1114 N HA -0.097 4.644 4.740 0.000 0.000 0.249 1114 N C -0.881 174.669 175.510 0.068 0.000 1.060 1114 N CA 0.850 53.922 53.050 0.037 0.000 0.825 1114 N CB -1.655 36.850 38.487 0.031 0.000 1.132 1114 N HN 0.455 nan 8.380 nan 0.000 0.564 1115 N N 0.949 119.693 118.700 0.074 0.000 2.294 1115 N HA 0.120 4.860 4.740 0.000 0.000 0.248 1115 N C 1.023 176.582 175.510 0.081 0.000 1.300 1115 N CA 0.695 53.807 53.050 0.104 0.000 0.925 1115 N CB 0.332 38.862 38.487 0.071 0.000 1.188 1115 N HN 0.240 nan 8.380 nan 0.000 0.512 1116 E N -0.697 119.561 120.200 0.097 0.000 5.150 1116 E HA -0.369 3.981 4.350 0.000 0.000 0.167 1116 E C 1.099 177.753 176.600 0.090 0.000 1.196 1116 E CA 1.664 58.114 56.400 0.083 0.000 2.189 1116 E CB -0.848 28.877 29.700 0.041 0.000 1.820 1116 E HN 0.606 nan 8.360 nan 0.000 0.420 1117 K N 0.943 121.385 120.400 0.069 0.000 2.002 1117 K HA -0.193 4.127 4.320 0.000 0.000 0.209 1117 K C 1.451 178.118 176.600 0.112 0.000 1.048 1117 K CA 2.256 58.581 56.287 0.063 0.000 0.930 1117 K CB -0.065 32.459 32.500 0.039 0.000 0.714 1117 K HN 0.081 nan 8.250 nan 0.000 0.438 1118 D N 0.205 120.691 120.400 0.144 0.000 2.117 1118 D HA -0.121 4.519 4.640 0.000 0.000 0.198 1118 D C 1.964 178.446 176.300 0.302 0.000 0.982 1118 D CA 0.923 55.034 54.000 0.186 0.000 0.828 1118 D CB -0.007 40.913 40.800 0.199 0.000 0.967 1118 D HN 0.175 nan 8.370 nan 0.000 0.464 1119 M N 0.292 120.084 119.600 0.320 0.000 2.200 1119 M HA 0.023 4.503 4.480 0.000 0.000 0.265 1119 M C 2.142 178.594 176.300 0.253 0.000 1.066 1119 M CA 0.721 56.214 55.300 0.321 0.000 1.127 1119 M CB -0.727 31.981 32.600 0.180 0.000 1.379 1119 M HN -0.007 nan 8.290 nan 0.000 0.420 1120 A N -0.091 122.856 122.820 0.212 0.000 1.872 1120 A HA -0.120 4.200 4.320 0.000 0.000 0.214 1120 A C 2.127 179.865 177.584 0.256 0.000 1.187 1120 A CA 1.099 53.271 52.037 0.224 0.000 0.614 1120 A CB -0.848 18.270 19.000 0.196 0.000 0.826 1120 A HN 0.401 nan 8.150 nan 0.000 0.442 1121 L N -0.303 121.067 121.223 0.245 0.000 2.056 1121 L HA -0.077 4.264 4.340 0.000 0.000 0.207 1121 L C 2.393 179.426 176.870 0.272 0.000 1.078 1121 L CA 2.703 57.715 54.840 0.286 0.000 0.749 1121 L CB -0.985 41.219 42.059 0.242 0.000 0.901 1121 L HN 0.341 nan 8.230 nan 0.000 0.433 1122 T N -0.202 114.526 114.554 0.290 0.000 2.821 1122 T HA -0.117 4.233 4.350 0.000 0.000 0.267 1122 T C 1.925 176.751 174.700 0.210 0.000 1.046 1122 T CA 1.193 63.503 62.100 0.350 0.000 1.139 1122 T CB -0.428 68.689 68.868 0.414 0.000 0.871 1122 T HN 0.532 nan 8.240 nan 0.000 0.454 1123 A N 1.080 124.021 122.820 0.201 0.000 1.892 1123 A HA -0.113 4.207 4.320 0.000 0.000 0.218 1123 A C 2.008 179.623 177.584 0.052 0.000 1.188 1123 A CA 1.638 53.742 52.037 0.111 0.000 0.631 1123 A CB -1.028 18.040 19.000 0.114 0.000 0.822 1123 A HN 0.517 nan 8.150 nan 0.000 0.447 1124 F N 0.443 120.378 119.950 -0.026 0.000 2.186 1124 F HA -0.093 4.434 4.527 0.000 0.000 0.299 1124 F C 2.126 177.824 175.800 -0.170 0.000 1.090 1124 F CA 1.731 59.686 58.000 -0.075 0.000 1.307 1124 F CB -0.034 38.968 39.000 0.003 0.000 1.019 1124 F HN 0.023 nan 8.300 nan 0.000 0.489 1125 V N 0.042 119.826 119.914 -0.216 0.000 2.591 1125 V HA -0.197 3.923 4.120 0.000 0.000 0.249 1125 V C 2.182 178.004 176.094 -0.453 0.000 1.053 1125 V CA 1.337 63.334 62.300 -0.505 0.000 1.068 1125 V CB -0.534 30.716 31.823 -0.955 0.000 0.689 1125 V HN 0.378 nan 8.190 nan 0.000 0.462 1126 L N -0.079 120.988 121.223 -0.259 0.000 2.217 1126 L HA 0.025 4.365 4.340 0.000 0.000 0.211 1126 L C 2.043 178.796 176.870 -0.195 0.000 1.107 1126 L CA 1.685 56.441 54.840 -0.139 0.000 0.783 1126 L CB -0.414 41.638 42.059 -0.013 0.000 0.919 1126 L HN 0.212 nan 8.230 nan 0.000 0.442 1127 I N -1.303 119.116 120.570 -0.252 0.000 2.493 1127 I HA -0.219 3.951 4.170 0.000 0.000 0.254 1127 I C 2.172 178.126 176.117 -0.271 0.000 1.160 1127 I CA 0.964 62.108 61.300 -0.261 0.000 1.445 1127 I CB -0.249 37.627 38.000 -0.206 0.000 1.086 1127 I HN 0.187 nan 8.210 nan 0.000 0.433 1128 S N 0.737 116.216 115.700 -0.368 0.000 2.371 1128 S HA 0.001 4.472 4.470 0.000 0.000 0.224 1128 S C 1.925 176.396 174.600 -0.216 0.000 1.029 1128 S CA 0.940 58.937 58.200 -0.338 0.000 0.978 1128 S CB -0.182 62.756 63.200 -0.438 0.000 0.833 1128 S HN 0.357 nan 8.310 nan 0.000 0.466 1129 L N 1.526 122.633 121.223 -0.193 0.000 2.376 1129 L HA -0.039 4.301 4.340 0.000 0.000 0.219 1129 L C 2.340 179.157 176.870 -0.088 0.000 1.133 1129 L CA 0.782 55.553 54.840 -0.115 0.000 0.816 1129 L CB -0.452 41.561 42.059 -0.076 0.000 0.933 1129 L HN 0.358 nan 8.230 nan 0.000 0.449 1130 Q N -0.366 119.368 119.800 -0.110 0.000 2.435 1130 Q HA -0.143 4.197 4.340 0.000 0.000 0.207 1130 Q C 1.505 177.459 176.000 -0.077 0.000 0.956 1130 Q CA 0.725 56.472 55.803 -0.093 0.000 0.917 1130 Q CB 0.231 28.896 28.738 -0.122 0.000 0.997 1130 Q HN 0.400 nan 8.270 nan 0.000 0.497 1131 E N 0.710 120.861 120.200 -0.081 0.000 2.250 1131 E HA 0.031 4.381 4.350 0.000 0.000 0.192 1131 E C 1.375 177.950 176.600 -0.041 0.000 0.986 1131 E CA 0.769 57.133 56.400 -0.058 0.000 0.849 1131 E CB 0.135 29.796 29.700 -0.065 0.000 0.797 1131 E HN 0.308 nan 8.360 nan 0.000 0.482 1132 A N 0.155 122.949 122.820 -0.043 0.000 2.238 1132 A HA 0.044 4.365 4.320 0.000 0.000 0.210 1132 A C 1.643 179.217 177.584 -0.016 0.000 1.179 1132 A CA 0.074 52.099 52.037 -0.020 0.000 0.827 1132 A CB -0.061 18.932 19.000 -0.013 0.000 0.856 1132 A HN -0.009 nan 8.150 nan 0.000 0.488 1133 K N 1.077 121.461 120.400 -0.027 0.000 1.998 1133 K HA -0.222 4.098 4.320 0.000 0.000 0.228 1133 K C 0.725 177.317 176.600 -0.014 0.000 1.053 1133 K CA 2.010 58.284 56.287 -0.022 0.000 0.988 1133 K CB -0.285 32.196 32.500 -0.032 0.000 0.735 1133 K HN 0.718 nan 8.250 nan 0.000 0.448 1134 D N -0.489 119.901 120.400 -0.017 0.000 2.460 1134 D HA 0.033 4.673 4.640 0.000 0.000 0.229 1134 D C 1.073 177.367 176.300 -0.009 0.000 1.170 1134 D CA 0.154 54.147 54.000 -0.013 0.000 0.827 1134 D CB 0.071 40.861 40.800 -0.017 0.000 0.973 1134 D HN 0.161 nan 8.370 nan 0.000 0.496 1135 I N -0.557 120.010 120.570 -0.006 0.000 3.565 1135 I HA 0.039 4.209 4.170 0.000 0.000 0.287 1135 I C 1.299 177.420 176.117 0.007 0.000 1.193 1135 I CA 0.436 61.736 61.300 -0.001 0.000 1.402 1135 I CB 0.466 38.466 38.000 0.000 0.000 1.284 1135 I HN 0.005 nan 8.210 nan 0.000 0.454 1136 c N 1.213 119.820 118.600 0.012 0.000 2.353 1136 c HA 0.168 4.739 4.570 0.000 0.000 0.338 1136 c C 2.154 176.254 174.090 0.016 0.000 1.343 1136 c CA -0.348 55.993 56.329 0.020 0.000 1.760 1136 c CB -1.638 40.890 42.510 0.031 0.000 2.111 1136 c HN 0.396 nan 8.230 nan 0.000 0.576 1137 E N 1.953 122.158 120.200 0.009 0.000 2.006 1137 E HA -0.206 4.144 4.350 0.000 0.000 0.192 1137 E C 2.058 178.663 176.600 0.009 0.000 0.993 1137 E CA 1.565 57.968 56.400 0.006 0.000 0.808 1137 E CB 0.068 29.769 29.700 0.001 0.000 0.764 1137 E HN 0.548 nan 8.360 nan 0.000 0.449 1138 E N -0.520 119.686 120.200 0.009 0.000 2.216 1138 E HA -0.089 4.261 4.350 0.000 0.000 0.192 1138 E C 1.917 178.526 176.600 0.015 0.000 0.988 1138 E CA 0.724 57.130 56.400 0.010 0.000 0.834 1138 E CB 0.125 29.829 29.700 0.007 0.000 0.772 1138 E HN 0.233 nan 8.360 nan 0.000 0.479 1139 Q N -0.501 119.310 119.800 0.019 0.000 2.049 1139 Q HA 0.015 4.355 4.340 0.000 0.000 0.198 1139 Q C 0.049 176.067 176.000 0.031 0.000 0.971 1139 Q CA 0.854 56.673 55.803 0.027 0.000 0.833 1139 Q CB 0.385 29.143 28.738 0.033 0.000 0.896 1139 Q HN 0.110 nan 8.270 nan 0.000 0.434 1140 V N 2.639 122.572 119.914 0.031 0.000 2.357 1140 V HA 0.102 4.222 4.120 0.000 0.000 0.284 1140 V C 1.042 177.150 176.094 0.022 0.000 1.018 1140 V CA -0.429 61.891 62.300 0.033 0.000 0.841 1140 V CB 1.388 33.236 31.823 0.041 0.000 0.991 1140 V HN 0.308 nan 8.190 nan 0.000 0.437 1141 N N 3.530 122.241 118.700 0.019 0.000 2.135 1141 N HA -0.111 4.629 4.740 0.000 0.000 0.186 1141 N C 1.475 176.990 175.510 0.008 0.000 1.027 1141 N CA 1.714 54.771 53.050 0.011 0.000 0.849 1141 N CB 0.326 38.819 38.487 0.009 0.000 1.002 1141 N HN 0.700 nan 8.380 nan 0.000 0.425 1142 S N 0.585 116.291 115.700 0.009 0.000 2.582 1142 S HA 0.180 4.650 4.470 0.000 0.000 0.249 1142 S C 1.635 176.241 174.600 0.009 0.000 1.072 1142 S CA -0.538 57.664 58.200 0.003 0.000 1.115 1142 S CB -0.161 63.036 63.200 -0.004 0.000 0.790 1142 S HN 0.295 nan 8.310 nan 0.000 0.459 1143 L N 1.176 122.407 121.223 0.014 0.000 2.005 1143 L HA 0.099 4.439 4.340 0.000 0.000 0.207 1143 L C -0.837 176.040 176.870 0.012 0.000 1.072 1143 L CA 1.156 56.008 54.840 0.019 0.000 0.744 1143 L CB -0.824 41.244 42.059 0.016 0.000 0.895 1143 L HN 0.296 nan 8.230 nan 0.000 0.433 1144 P HA -0.086 nan 4.420 nan 0.000 0.219 1144 P C 1.358 178.655 177.300 -0.004 0.000 1.150 1144 P CA 1.501 64.600 63.100 -0.003 0.000 0.814 1144 P CB -0.185 31.511 31.700 -0.007 0.000 0.787 1145 G N -0.592 108.205 108.800 -0.005 0.000 2.403 1145 G HA2 -0.213 3.748 3.960 0.000 0.000 0.216 1145 G HA3 -0.213 3.748 3.960 0.000 0.000 0.216 1145 G C 1.832 176.724 174.900 -0.014 0.000 1.154 1145 G CA 0.920 46.013 45.100 -0.012 0.000 0.784 1145 G HN 0.314 nan 8.290 nan 0.000 0.538 1146 S N 0.248 115.945 115.700 -0.006 0.000 2.368 1146 S HA -0.056 4.414 4.470 0.000 0.000 0.225 1146 S C 2.403 177.020 174.600 0.029 0.000 1.030 1146 S CA 1.028 59.226 58.200 -0.004 0.000 0.999 1146 S CB -0.291 62.928 63.200 0.032 0.000 0.844 1146 S HN 0.343 nan 8.310 nan 0.000 0.459 1147 I N 1.126 121.722 120.570 0.043 0.000 2.208 1147 I HA -0.178 3.992 4.170 0.000 0.000 0.245 1147 I C 2.575 178.707 176.117 0.025 0.000 1.097 1147 I CA 1.573 62.900 61.300 0.045 0.000 1.363 1147 I CB -0.735 37.273 38.000 0.013 0.000 1.051 1147 I HN 0.361 nan 8.210 nan 0.000 0.413 1148 T N 0.718 115.276 114.554 0.006 0.000 2.684 1148 T HA -0.203 4.147 4.350 0.000 0.000 0.267 1148 T C 1.864 176.568 174.700 0.006 0.000 1.036 1148 T CA 1.321 63.421 62.100 -0.001 0.000 1.148 1148 T CB -0.197 68.666 68.868 -0.009 0.000 0.863 1148 T HN 0.323 nan 8.240 nan 0.000 0.436 1149 K N 1.239 121.634 120.400 -0.009 0.000 2.074 1149 K HA -0.061 4.259 4.320 0.000 0.000 0.209 1149 K C 2.647 179.253 176.600 0.010 0.000 1.048 1149 K CA 1.407 57.680 56.287 -0.023 0.000 0.926 1149 K CB -0.322 32.127 32.500 -0.085 0.000 0.713 1149 K HN 0.318 nan 8.250 nan 0.000 0.444 1150 A N 1.101 123.935 122.820 0.022 0.000 1.929 1150 A HA -0.024 4.296 4.320 0.000 0.000 0.216 1150 A C 2.425 180.098 177.584 0.147 0.000 1.176 1150 A CA 1.627 53.729 52.037 0.109 0.000 0.628 1150 A CB -0.905 18.235 19.000 0.232 0.000 0.816 1150 A HN 0.421 nan 8.150 nan 0.000 0.444 1151 G N -0.157 108.690 108.800 0.078 0.000 2.408 1151 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 1151 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 1151 G C 1.045 175.968 174.900 0.039 0.000 1.150 1151 G CA 1.234 46.357 45.100 0.038 0.000 0.776 1151 G HN 0.461 nan 8.290 nan 0.000 0.542 1152 D N -0.133 120.300 120.400 0.055 0.000 2.123 1152 D HA -0.068 4.572 4.640 0.000 0.000 0.200 1152 D C 1.861 178.212 176.300 0.084 0.000 0.976 1152 D CA 0.270 54.299 54.000 0.048 0.000 0.831 1152 D CB -0.391 40.435 40.800 0.043 0.000 0.974 1152 D HN 0.256 nan 8.370 nan 0.000 0.469 1153 F N 1.102 121.048 119.950 -0.007 0.000 2.202 1153 F HA -0.113 4.414 4.527 0.000 0.000 0.301 1153 F C 1.831 177.652 175.800 0.034 0.000 1.082 1153 F CA 1.031 59.035 58.000 0.007 0.000 1.313 1153 F CB -0.097 38.904 39.000 0.001 0.000 1.024 1153 F HN -0.073 nan 8.300 nan 0.000 0.495 1154 L N 0.204 121.454 121.223 0.046 0.000 1.988 1154 L HA -0.187 4.153 4.340 0.000 0.000 0.207 1154 L C 2.298 179.138 176.870 -0.050 0.000 1.071 1154 L CA 1.901 56.737 54.840 -0.005 0.000 0.744 1154 L CB -0.942 41.143 42.059 0.044 0.000 0.893 1154 L HN 0.221 nan 8.230 nan 0.000 0.433 1155 E N 0.078 120.240 120.200 -0.062 0.000 2.512 1155 E HA -0.021 4.329 4.350 0.000 0.000 0.195 1155 E C 1.413 177.985 176.600 -0.046 0.000 1.083 1155 E CA 0.660 57.014 56.400 -0.076 0.000 0.873 1155 E CB 0.184 29.827 29.700 -0.095 0.000 0.897 1155 E HN 0.407 nan 8.360 nan 0.000 0.514 1156 A N 1.649 124.421 122.820 -0.079 0.000 1.970 1156 A HA 0.081 4.402 4.320 0.000 0.000 0.204 1156 A C 1.809 179.330 177.584 -0.104 0.000 1.325 1156 A CA 0.279 52.265 52.037 -0.085 0.000 0.767 1156 A CB -0.104 18.836 19.000 -0.100 0.000 0.949 1156 A HN 0.209 nan 8.150 nan 0.000 0.481 1157 N N -1.444 117.127 118.700 -0.216 0.000 2.398 1157 N HA -0.015 4.725 4.740 0.000 0.000 0.188 1157 N C 1.188 176.648 175.510 -0.083 0.000 1.122 1157 N CA 0.361 53.283 53.050 -0.214 0.000 0.866 1157 N CB 0.049 38.262 38.487 -0.456 0.000 0.970 1157 N HN 0.583 nan 8.380 nan 0.000 0.462 1158 Y N 1.685 121.904 120.300 -0.135 0.000 2.274 1158 Y HA -0.037 4.513 4.550 0.000 0.000 0.290 1158 Y C 2.062 177.946 175.900 -0.027 0.000 1.145 1158 Y CA 1.283 59.344 58.100 -0.064 0.000 1.203 1158 Y CB 0.111 38.541 38.460 -0.049 0.000 0.984 1158 Y HN -0.035 nan 8.280 nan 0.000 0.533 1159 M N -0.025 119.619 119.600 0.074 0.000 2.618 1159 M HA -0.032 4.448 4.480 0.000 0.000 0.240 1159 M C 0.334 176.611 176.300 -0.038 0.000 1.123 1159 M CA 0.968 56.285 55.300 0.029 0.000 1.060 1159 M CB -1.004 31.635 32.600 0.066 0.000 1.535 1159 M HN 0.399 nan 8.290 nan 0.000 0.507 1160 N N -0.521 118.139 118.700 -0.067 0.000 2.205 1160 N HA 0.222 4.963 4.740 0.000 0.000 0.201 1160 N C -0.165 175.298 175.510 -0.079 0.000 1.128 1160 N CA -0.126 52.888 53.050 -0.061 0.000 0.867 1160 N CB 0.703 39.161 38.487 -0.048 0.000 0.996 1160 N HN 0.217 nan 8.380 nan 0.000 0.503 1161 L N 1.276 122.416 121.223 -0.138 0.000 2.455 1161 L HA 0.036 4.377 4.340 0.000 0.000 0.272 1161 L C 1.165 177.983 176.870 -0.088 0.000 1.174 1161 L CA 0.100 54.860 54.840 -0.134 0.000 0.869 1161 L CB 0.802 42.710 42.059 -0.251 0.000 1.130 1161 L HN 0.218 nan 8.230 nan 0.000 0.474 1162 Q N 2.390 122.164 119.800 -0.044 0.000 2.499 1162 Q HA 0.172 4.513 4.340 0.000 0.000 0.213 1162 Q C 0.366 176.366 176.000 -0.000 0.000 0.929 1162 Q CA 0.609 56.398 55.803 -0.023 0.000 0.904 1162 Q CB 0.329 29.057 28.738 -0.017 0.000 1.052 1162 Q HN 0.512 nan 8.270 nan 0.000 0.589 1163 R N 0.855 121.366 120.500 0.018 0.000 2.522 1163 R HA 0.062 4.402 4.340 0.000 0.000 0.284 1163 R C 1.261 177.623 176.300 0.103 0.000 1.032 1163 R CA 0.139 56.273 56.100 0.058 0.000 1.049 1163 R CB 0.483 30.821 30.300 0.062 0.000 0.956 1163 R HN 0.075 nan 8.270 nan 0.000 0.422 1164 S N 2.638 118.416 115.700 0.131 0.000 2.399 1164 S HA -0.198 4.272 4.470 0.000 0.000 0.231 1164 S C 1.620 176.373 174.600 0.254 0.000 1.022 1164 S CA 1.017 59.324 58.200 0.178 0.000 0.983 1164 S CB -0.144 63.151 63.200 0.158 0.000 0.803 1164 S HN 0.663 nan 8.310 nan 0.000 0.480 1165 Y N 2.096 122.480 120.300 0.140 0.000 2.070 1165 Y HA -0.201 4.349 4.550 0.001 0.000 0.280 1165 Y C 2.563 178.542 175.900 0.130 0.000 1.148 1165 Y CA 2.496 60.691 58.100 0.160 0.000 1.125 1165 Y CB -0.938 37.598 38.460 0.127 0.000 0.975 1165 Y HN 0.269 nan 8.280 nan 0.000 0.492 1166 T N -0.247 114.509 114.554 0.337 0.000 2.720 1166 T HA -0.208 4.142 4.350 0.000 0.000 0.268 1166 T C 2.004 176.771 174.700 0.111 0.000 1.037 1166 T CA 1.730 63.962 62.100 0.219 0.000 1.144 1166 T CB -0.859 68.103 68.868 0.158 0.000 0.864 1166 T HN 0.237 nan 8.240 nan 0.000 0.444 1167 V N 1.671 121.638 119.914 0.089 0.000 2.453 1167 V HA -0.231 3.889 4.120 0.000 0.000 0.252 1167 V C 2.783 179.067 176.094 0.315 0.000 1.068 1167 V CA 1.774 64.136 62.300 0.103 0.000 1.070 1167 V CB -1.230 30.670 31.823 0.127 0.000 0.664 1167 V HN 0.569 nan 8.190 nan 0.000 0.461 1168 A N -0.033 122.886 122.820 0.165 0.000 1.843 1168 A HA -0.119 4.201 4.320 0.000 0.000 0.213 1168 A C 2.167 179.752 177.584 0.003 0.000 1.202 1168 A CA 1.673 53.745 52.037 0.058 0.000 0.607 1168 A CB -0.525 18.346 19.000 -0.215 0.000 0.847 1168 A HN 0.465 nan 8.150 nan 0.000 0.445 1169 I N -0.237 120.241 120.570 -0.154 0.000 2.163 1169 I HA -0.196 3.975 4.170 0.000 0.000 0.243 1169 I C 2.450 178.510 176.117 -0.094 0.000 1.085 1169 I CA 1.923 63.022 61.300 -0.335 0.000 1.347 1169 I CB -0.137 37.551 38.000 -0.520 0.000 1.044 1169 I HN 0.257 nan 8.210 nan 0.000 0.408 1170 A N 0.212 123.057 122.820 0.043 0.000 2.014 1170 A HA 0.059 4.379 4.320 0.000 0.000 0.218 1170 A C 2.331 179.970 177.584 0.092 0.000 1.163 1170 A CA 1.169 53.277 52.037 0.118 0.000 0.652 1170 A CB -1.544 17.604 19.000 0.246 0.000 0.808 1170 A HN 0.548 nan 8.150 nan 0.000 0.449 1171 G N -1.327 107.561 108.800 0.147 0.000 2.418 1171 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 1171 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 1171 G C 1.527 176.223 174.900 -0.340 0.000 1.158 1171 G CA 1.265 46.261 45.100 -0.174 0.000 0.771 1171 G HN 0.550 nan 8.290 nan 0.000 0.545 1172 Y N 2.146 122.249 120.300 -0.330 0.000 2.200 1172 Y HA 0.090 4.640 4.550 0.001 0.000 0.290 1172 Y C 2.848 178.638 175.900 -0.184 0.000 1.137 1172 Y CA 0.921 58.869 58.100 -0.252 0.000 1.163 1172 Y CB -0.678 37.726 38.460 -0.094 0.000 0.988 1172 Y HN 0.241 nan 8.280 nan 0.000 0.518 1173 A N 0.329 122.972 122.820 -0.294 0.000 1.940 1173 A HA -0.179 4.141 4.320 0.000 0.000 0.219 1173 A C 2.352 179.762 177.584 -0.290 0.000 1.176 1173 A CA 1.983 53.816 52.037 -0.340 0.000 0.631 1173 A CB -1.165 17.734 19.000 -0.169 0.000 0.814 1173 A HN 0.549 nan 8.150 nan 0.000 0.446 1174 L N -1.125 119.942 121.223 -0.259 0.000 2.156 1174 L HA -0.093 4.248 4.340 0.000 0.000 0.208 1174 L C 3.031 179.745 176.870 -0.261 0.000 1.095 1174 L CA 0.771 55.456 54.840 -0.259 0.000 0.770 1174 L CB -0.399 41.455 42.059 -0.341 0.000 0.914 1174 L HN 0.425 nan 8.230 nan 0.000 0.439 1175 A N -0.490 122.156 122.820 -0.290 0.000 1.933 1175 A HA -0.242 4.078 4.320 0.000 0.000 0.218 1175 A C 2.183 179.645 177.584 -0.204 0.000 1.175 1175 A CA 1.354 53.249 52.037 -0.236 0.000 0.628 1175 A CB -0.418 18.457 19.000 -0.208 0.000 0.814 1175 A HN 0.462 nan 8.150 nan 0.000 0.444 1176 Q N -1.146 118.482 119.800 -0.287 0.000 2.234 1176 Q HA -0.106 4.234 4.340 0.000 0.000 0.206 1176 Q C 1.771 177.668 176.000 -0.171 0.000 0.980 1176 Q CA 1.576 57.225 55.803 -0.257 0.000 0.869 1176 Q CB -0.229 28.283 28.738 -0.377 0.000 0.912 1176 Q HN 0.760 nan 8.270 nan 0.000 0.436 1177 M N -2.003 117.499 119.600 -0.164 0.000 2.465 1177 M HA 0.174 4.654 4.480 0.000 0.000 0.249 1177 M C 1.003 177.241 176.300 -0.104 0.000 1.130 1177 M CA 0.618 55.846 55.300 -0.120 0.000 1.067 1177 M CB 0.967 33.499 32.600 -0.113 0.000 1.394 1177 M HN 0.305 nan 8.290 nan 0.000 0.483 1178 G N 1.594 110.323 108.800 -0.118 0.000 2.143 1178 G HA2 -0.271 3.690 3.960 0.000 0.000 0.249 1178 G HA3 -0.271 3.690 3.960 0.000 0.000 0.249 1178 G C 0.724 175.560 174.900 -0.107 0.000 0.981 1178 G CA 0.169 45.209 45.100 -0.101 0.000 0.665 1178 G HN 0.485 nan 8.290 nan 0.000 0.528 1179 R N -1.031 119.390 120.500 -0.132 0.000 2.334 1179 R HA 0.334 4.674 4.340 0.000 0.000 0.220 1179 R C 0.701 176.892 176.300 -0.181 0.000 0.917 1179 R CA -0.192 55.828 56.100 -0.134 0.000 1.073 1179 R CB 0.333 30.558 30.300 -0.125 0.000 1.056 1179 R HN 0.338 nan 8.270 nan 0.000 0.506 1180 L N 2.264 123.362 121.223 -0.208 0.000 2.282 1180 L HA 0.219 4.559 4.340 0.000 0.000 0.287 1180 L C -0.780 176.001 176.870 -0.148 0.000 1.075 1180 L CA 0.355 55.048 54.840 -0.246 0.000 0.839 1180 L CB 0.092 41.956 42.059 -0.325 0.000 1.219 1180 L HN -0.065 nan 8.230 nan 0.000 0.434 1181 K N 2.944 123.278 120.400 -0.110 0.000 2.512 1181 K HA 0.770 5.091 4.320 0.000 0.000 0.263 1181 K C 0.364 176.951 176.600 -0.022 0.000 0.966 1181 K CA -0.608 55.647 56.287 -0.054 0.000 0.851 1181 K CB 1.607 34.078 32.500 -0.049 0.000 1.395 1181 K HN 0.533 nan 8.250 nan 0.000 0.440 1182 G N 2.010 110.811 108.800 0.002 0.000 2.602 1182 G HA2 -0.306 3.654 3.960 0.000 0.000 0.310 1182 G HA3 -0.306 3.654 3.960 0.000 0.000 0.310 1182 G C -1.284 173.638 174.900 0.036 0.000 1.183 1182 G CA 0.471 45.581 45.100 0.017 0.000 0.979 1182 G HN 0.551 nan 8.290 nan 0.000 0.545 1183 P HA 0.061 nan 4.420 nan 0.000 0.219 1183 P C 2.264 179.621 177.300 0.095 0.000 1.150 1183 P CA 1.606 64.741 63.100 0.057 0.000 0.814 1183 P CB -0.084 31.644 31.700 0.046 0.000 0.787 1184 L N -0.902 120.370 121.223 0.081 0.000 2.056 1184 L HA -0.114 4.226 4.340 0.000 0.000 0.207 1184 L C 2.690 179.661 176.870 0.167 0.000 1.078 1184 L CA 1.150 56.066 54.840 0.127 0.000 0.749 1184 L CB -1.614 40.398 42.059 -0.079 0.000 0.901 1184 L HN -0.076 nan 8.230 nan 0.000 0.433 1185 L N -0.049 121.227 121.223 0.089 0.000 2.046 1185 L HA -0.215 4.125 4.340 0.000 0.000 0.208 1185 L C 2.266 179.260 176.870 0.206 0.000 1.077 1185 L CA 1.758 56.682 54.840 0.140 0.000 0.747 1185 L CB -0.799 41.302 42.059 0.071 0.000 0.896 1185 L HN 0.326 nan 8.230 nan 0.000 0.432 1186 N N -0.069 118.715 118.700 0.141 0.000 2.069 1186 N HA -0.296 4.445 4.740 0.000 0.000 0.191 1186 N C 1.922 177.512 175.510 0.134 0.000 1.031 1186 N CA 1.795 54.915 53.050 0.116 0.000 0.852 1186 N CB -0.223 38.314 38.487 0.083 0.000 1.018 1186 N HN 0.309 nan 8.380 nan 0.000 0.423 1187 K N -0.263 120.246 120.400 0.181 0.000 2.044 1187 K HA -0.162 4.158 4.320 0.000 0.000 0.210 1187 K C 1.914 178.667 176.600 0.256 0.000 1.049 1187 K CA 1.456 57.860 56.287 0.194 0.000 0.927 1187 K CB -0.911 31.739 32.500 0.252 0.000 0.713 1187 K HN 0.314 nan 8.250 nan 0.000 0.443 1188 F N 0.450 120.545 119.950 0.242 0.000 2.186 1188 F HA -0.017 4.510 4.527 0.000 0.000 0.299 1188 F C 1.481 177.465 175.800 0.306 0.000 1.090 1188 F CA 1.335 59.522 58.000 0.310 0.000 1.307 1188 F CB -0.033 39.111 39.000 0.241 0.000 1.019 1188 F HN 0.014 nan 8.300 nan 0.000 0.489 1189 L N -0.393 120.811 121.223 -0.032 0.000 2.209 1189 L HA -0.080 4.260 4.340 0.000 0.000 0.207 1189 L C 2.330 179.055 176.870 -0.241 0.000 1.094 1189 L CA 1.416 56.082 54.840 -0.290 0.000 0.790 1189 L CB -0.872 41.103 42.059 -0.140 0.000 0.932 1189 L HN 0.223 nan 8.230 nan 0.000 0.447 1190 T N -5.442 109.046 114.554 -0.110 0.000 3.088 1190 T HA -0.057 4.293 4.350 0.000 0.000 0.259 1190 T C 1.593 176.176 174.700 -0.195 0.000 1.122 1190 T CA 0.819 62.856 62.100 -0.105 0.000 1.095 1190 T CB -0.262 68.585 68.868 -0.035 0.000 0.930 1190 T HN 0.086 nan 8.240 nan 0.000 0.508 1191 T N 2.007 116.407 114.554 -0.258 0.000 3.055 1191 T HA 0.381 4.732 4.350 0.000 0.000 0.265 1191 T C 1.019 175.353 174.700 -0.611 0.000 1.111 1191 T CA 0.461 62.389 62.100 -0.288 0.000 1.118 1191 T CB -0.322 68.504 68.868 -0.070 0.000 0.909 1191 T HN 0.646 nan 8.240 nan 0.000 0.501 1192 A N 2.106 124.319 122.820 -1.011 0.000 2.354 1192 A HA 0.375 4.695 4.320 0.000 0.000 0.281 1192 A C 0.231 177.462 177.584 -0.588 0.000 1.174 1192 A CA -0.465 50.836 52.037 -1.226 0.000 0.828 1192 A CB 0.159 18.085 19.000 -1.790 0.000 1.099 1192 A HN 0.323 nan 8.150 nan 0.000 0.516 1193 K N 2.086 122.210 120.400 -0.459 0.000 2.382 1193 K HA 0.125 4.445 4.320 0.000 0.000 0.275 1193 K C -0.259 176.170 176.600 -0.285 0.000 1.009 1193 K CA 0.029 56.140 56.287 -0.295 0.000 0.970 1193 K CB 0.282 32.647 32.500 -0.226 0.000 0.934 1193 K HN 0.732 nan 8.250 nan 0.000 0.479 1194 D N 2.194 122.474 120.400 -0.201 0.000 3.059 1194 D HA -0.223 4.418 4.640 0.000 0.000 0.222 1194 D C -0.553 175.620 176.300 -0.212 0.000 1.185 1194 D CA 1.371 55.269 54.000 -0.170 0.000 0.904 1194 D CB -0.697 40.027 40.800 -0.126 0.000 1.122 1194 D HN 0.789 nan 8.370 nan 0.000 0.410 1195 K N -1.629 118.616 120.400 -0.257 0.000 3.129 1195 K HA -0.272 4.048 4.320 0.000 0.000 0.273 1195 K C 0.598 177.069 176.600 -0.214 0.000 1.123 1195 K CA 1.256 57.368 56.287 -0.290 0.000 0.800 1195 K CB -1.445 30.727 32.500 -0.545 0.000 1.238 1195 K HN 0.538 nan 8.250 nan 0.000 0.492 1196 N N -0.175 118.400 118.700 -0.209 0.000 2.011 1196 N HA -0.009 4.731 4.740 0.000 0.000 0.228 1196 N C -0.322 175.046 175.510 -0.236 0.000 1.378 1196 N CA -0.296 52.693 53.050 -0.102 0.000 0.852 1196 N CB 0.536 38.992 38.487 -0.051 0.000 1.111 1196 N HN 0.356 nan 8.380 nan 0.000 0.497 1197 R N -0.327 119.885 120.500 -0.479 0.000 2.604 1197 R HA 0.215 4.555 4.340 0.000 0.000 0.261 1197 R C -1.857 174.209 176.300 -0.389 0.000 1.080 1197 R CA -0.517 55.231 56.100 -0.588 0.000 0.917 1197 R CB 0.119 29.336 30.300 -1.804 0.000 1.252 1197 R HN 0.038 nan 8.270 nan 0.000 0.456 1198 W N 3.413 124.517 121.300 -0.327 0.000 2.288 1198 W HA 0.277 4.937 4.660 0.000 0.000 0.325 1198 W C 0.018 176.473 176.519 -0.107 0.000 1.019 1198 W CA -0.359 56.877 57.345 -0.182 0.000 1.403 1198 W CB 1.289 30.681 29.460 -0.112 0.000 1.226 1198 W HN 0.675 nan 8.180 nan 0.000 0.391 1199 E N 1.572 121.808 120.200 0.060 0.000 2.369 1199 E HA 0.509 4.859 4.350 0.000 0.000 0.270 1199 E C -1.343 175.330 176.600 0.122 0.000 0.909 1199 E CA -0.832 55.637 56.400 0.115 0.000 0.775 1199 E CB 2.602 32.342 29.700 0.067 0.000 1.270 1199 E HN 0.008 nan 8.360 nan 0.000 0.445 1200 D N 1.329 121.829 120.400 0.167 0.000 2.671 1200 D HA 0.326 4.966 4.640 0.000 0.000 0.232 1200 D C -2.505 173.866 176.300 0.118 0.000 1.114 1200 D CA -1.690 52.387 54.000 0.129 0.000 0.858 1200 D CB 2.076 42.964 40.800 0.145 0.000 1.544 1200 D HN 0.294 nan 8.370 nan 0.000 0.471 1201 P HA 0.090 nan 4.420 nan 0.000 0.262 1201 P C 0.863 178.208 177.300 0.076 0.000 1.199 1201 P CA 0.529 63.667 63.100 0.064 0.000 0.763 1201 P CB 0.616 32.336 31.700 0.034 0.000 0.790 1202 G N 3.869 112.722 108.800 0.089 0.000 2.417 1202 G HA2 -0.240 3.721 3.960 0.000 0.000 0.233 1202 G HA3 -0.240 3.721 3.960 0.000 0.000 0.233 1202 G C 0.356 175.352 174.900 0.161 0.000 1.103 1202 G CA -0.229 44.930 45.100 0.098 0.000 0.647 1202 G HN 0.530 nan 8.290 nan 0.000 0.512 1203 K N 1.965 122.484 120.400 0.198 0.000 2.480 1203 K HA 0.282 4.602 4.320 0.000 0.000 0.241 1203 K C 1.505 178.333 176.600 0.381 0.000 1.261 1203 K CA -0.020 56.467 56.287 0.333 0.000 1.193 1203 K CB 0.723 33.382 32.500 0.266 0.000 1.598 1203 K HN 0.471 nan 8.250 nan 0.000 0.278 1204 Q N 0.611 120.585 119.800 0.289 0.000 1.990 1204 Q HA -0.032 4.309 4.340 0.000 0.000 0.200 1204 Q C 1.897 178.078 176.000 0.302 0.000 0.980 1204 Q CA 1.183 57.139 55.803 0.255 0.000 0.832 1204 Q CB -0.078 28.742 28.738 0.136 0.000 0.897 1204 Q HN 0.476 nan 8.270 nan 0.000 0.427 1205 L N -0.060 121.291 121.223 0.213 0.000 2.362 1205 L HA -0.144 4.196 4.340 0.000 0.000 0.219 1205 L C 1.961 178.918 176.870 0.145 0.000 1.134 1205 L CA 0.646 55.586 54.840 0.166 0.000 0.807 1205 L CB -0.243 41.845 42.059 0.048 0.000 0.927 1205 L HN 0.224 nan 8.230 nan 0.000 0.447 1206 Y N -0.508 119.982 120.300 0.317 0.000 2.373 1206 Y HA -0.122 4.428 4.550 0.000 0.000 0.293 1206 Y C 2.410 178.606 175.900 0.494 0.000 1.129 1206 Y CA 0.692 59.036 58.100 0.408 0.000 1.226 1206 Y CB -0.371 38.249 38.460 0.266 0.000 1.000 1206 Y HN 0.253 nan 8.280 nan 0.000 0.549 1207 N N -0.239 118.795 118.700 0.556 0.000 2.188 1207 N HA -0.124 4.616 4.740 0.000 0.000 0.184 1207 N C 1.941 177.778 175.510 0.545 0.000 1.018 1207 N CA 1.412 54.771 53.050 0.515 0.000 0.858 1207 N CB -0.639 38.153 38.487 0.508 0.000 0.989 1207 N HN 0.194 nan 8.380 nan 0.000 0.426 1208 V N 1.200 121.427 119.914 0.522 0.000 2.407 1208 V HA -0.172 3.949 4.120 0.000 0.000 0.248 1208 V C 2.257 178.517 176.094 0.277 0.000 1.055 1208 V CA 1.481 64.034 62.300 0.421 0.000 1.049 1208 V CB -0.515 31.488 31.823 0.301 0.000 0.662 1208 V HN 0.303 nan 8.190 nan 0.000 0.455 1209 E N 0.289 120.677 120.200 0.313 0.000 2.028 1209 E HA -0.163 4.188 4.350 0.000 0.000 0.191 1209 E C 2.366 179.102 176.600 0.227 0.000 0.988 1209 E CA 1.235 57.803 56.400 0.279 0.000 0.799 1209 E CB -0.242 29.779 29.700 0.535 0.000 0.755 1209 E HN 0.555 nan 8.360 nan 0.000 0.447 1210 A N 0.386 123.344 122.820 0.230 0.000 1.877 1210 A HA -0.189 4.132 4.320 0.000 0.000 0.216 1210 A C 2.382 179.995 177.584 0.049 0.000 1.186 1210 A CA 2.170 54.211 52.037 0.006 0.000 0.620 1210 A CB -1.056 17.945 19.000 0.002 0.000 0.822 1210 A HN 0.289 nan 8.150 nan 0.000 0.443 1211 T N 0.300 114.949 114.554 0.160 0.000 2.720 1211 T HA -0.132 4.218 4.350 0.000 0.000 0.268 1211 T C 2.238 176.949 174.700 0.018 0.000 1.037 1211 T CA 1.705 63.891 62.100 0.144 0.000 1.144 1211 T CB -0.377 68.700 68.868 0.347 0.000 0.864 1211 T HN 0.500 nan 8.240 nan 0.000 0.444 1212 S N 0.545 116.255 115.700 0.015 0.000 2.359 1212 S HA -0.118 4.352 4.470 0.000 0.000 0.224 1212 S C 1.794 176.239 174.600 -0.259 0.000 1.035 1212 S CA 1.189 59.314 58.200 -0.125 0.000 1.018 1212 S CB -0.585 62.497 63.200 -0.198 0.000 0.876 1212 S HN 0.505 nan 8.310 nan 0.000 0.448 1213 Y N 1.771 121.949 120.300 -0.204 0.000 2.165 1213 Y HA -0.172 4.378 4.550 0.001 0.000 0.286 1213 Y C 2.701 178.369 175.900 -0.386 0.000 1.155 1213 Y CA 0.677 58.581 58.100 -0.326 0.000 1.164 1213 Y CB -0.969 37.376 38.460 -0.192 0.000 0.978 1213 Y HN 0.279 nan 8.280 nan 0.000 0.513 1214 A N -0.546 122.120 122.820 -0.256 0.000 1.972 1214 A HA -0.160 4.160 4.320 0.000 0.000 0.219 1214 A C 2.202 179.614 177.584 -0.285 0.000 1.169 1214 A CA 1.552 53.308 52.037 -0.470 0.000 0.635 1214 A CB -0.990 16.966 19.000 -1.740 0.000 0.810 1214 A HN 0.436 nan 8.150 nan 0.000 0.446 1215 L N -0.398 120.693 121.223 -0.219 0.000 2.027 1215 L HA -0.051 4.289 4.340 0.000 0.000 0.206 1215 L C 2.235 179.031 176.870 -0.123 0.000 1.074 1215 L CA 1.622 56.408 54.840 -0.089 0.000 0.745 1215 L CB -0.483 41.555 42.059 -0.036 0.000 0.898 1215 L HN 0.373 nan 8.230 nan 0.000 0.433 1216 L N -0.531 120.521 121.223 -0.285 0.000 2.079 1216 L HA -0.201 4.139 4.340 0.000 0.000 0.210 1216 L C 2.628 179.337 176.870 -0.268 0.000 1.081 1216 L CA 1.185 55.763 54.840 -0.437 0.000 0.752 1216 L CB -0.802 40.627 42.059 -1.050 0.000 0.896 1216 L HN 0.414 nan 8.230 nan 0.000 0.433 1217 A N -0.200 122.499 122.820 -0.201 0.000 1.898 1217 A HA -0.139 4.182 4.320 0.000 0.000 0.216 1217 A C 2.232 179.771 177.584 -0.076 0.000 1.181 1217 A CA 1.208 53.223 52.037 -0.036 0.000 0.620 1217 A CB -0.600 18.192 19.000 -0.346 0.000 0.819 1217 A HN 0.335 nan 8.150 nan 0.000 0.442 1218 L N -0.667 120.543 121.223 -0.021 0.000 2.046 1218 L HA -0.172 4.168 4.340 0.000 0.000 0.208 1218 L C 2.525 179.328 176.870 -0.112 0.000 1.077 1218 L CA 1.037 55.877 54.840 -0.000 0.000 0.747 1218 L CB -0.404 41.701 42.059 0.075 0.000 0.896 1218 L HN 0.380 nan 8.230 nan 0.000 0.432 1219 L N -0.955 120.223 121.223 -0.075 0.000 2.093 1219 L HA -0.211 4.129 4.340 0.000 0.000 0.208 1219 L C 2.599 179.430 176.870 -0.064 0.000 1.085 1219 L CA 0.752 55.542 54.840 -0.084 0.000 0.755 1219 L CB -0.342 41.755 42.059 0.063 0.000 0.904 1219 L HN 0.271 nan 8.230 nan 0.000 0.435 1220 Q N 0.508 120.305 119.800 -0.005 0.000 2.170 1220 Q HA -0.146 4.194 4.340 0.000 0.000 0.203 1220 Q C 1.896 177.868 176.000 -0.047 0.000 0.976 1220 Q CA 1.587 57.399 55.803 0.016 0.000 0.858 1220 Q CB -0.130 28.656 28.738 0.081 0.000 0.907 1220 Q HN 0.499 nan 8.270 nan 0.000 0.433 1221 L N -0.155 121.013 121.223 -0.092 0.000 2.567 1221 L HA 0.127 4.468 4.340 0.000 0.000 0.225 1221 L C 0.242 177.031 176.870 -0.136 0.000 1.119 1221 L CA 0.070 54.851 54.840 -0.098 0.000 0.871 1221 L CB 0.002 42.009 42.059 -0.086 0.000 1.036 1221 L HN 0.097 nan 8.230 nan 0.000 0.459 1222 K N 0.726 120.967 120.400 -0.266 0.000 3.071 1222 K HA -0.228 4.092 4.320 0.000 0.000 0.265 1222 K C -0.172 176.102 176.600 -0.543 0.000 1.060 1222 K CA 0.794 56.795 56.287 -0.476 0.000 0.767 1222 K CB -1.425 31.080 32.500 0.007 0.000 1.241 1222 K HN 0.273 nan 8.250 nan 0.000 0.486 1223 D N 0.257 120.355 120.400 -0.503 0.000 2.518 1223 D HA 0.193 4.833 4.640 0.000 0.000 0.230 1223 D C 0.065 176.280 176.300 -0.142 0.000 1.138 1223 D CA -0.551 53.339 54.000 -0.183 0.000 0.964 1223 D CB -0.174 40.615 40.800 -0.018 0.000 1.011 1223 D HN 0.083 nan 8.370 nan 0.000 0.517 1224 F N 1.215 121.259 119.950 0.158 0.000 2.676 1224 F HA 0.227 4.754 4.527 0.001 0.000 0.300 1224 F C 1.192 177.093 175.800 0.168 0.000 1.160 1224 F CA -0.236 57.869 58.000 0.175 0.000 1.401 1224 F CB 0.369 39.453 39.000 0.139 0.000 1.037 1224 F HN 0.193 nan 8.300 nan 0.000 0.522 1225 D N -1.027 119.538 120.400 0.275 0.000 2.463 1225 D HA 0.002 4.642 4.640 0.000 0.000 0.237 1225 D C 1.757 178.162 176.300 0.175 0.000 1.013 1225 D CA 0.635 54.755 54.000 0.201 0.000 0.910 1225 D CB -0.211 40.683 40.800 0.157 0.000 1.080 1225 D HN 0.128 nan 8.370 nan 0.000 0.498 1226 F N 0.766 120.778 119.950 0.103 0.000 2.502 1226 F HA -0.063 4.464 4.527 0.001 0.000 0.298 1226 F C 1.902 177.767 175.800 0.109 0.000 1.111 1226 F CA 0.567 58.624 58.000 0.095 0.000 1.445 1226 F CB 0.230 39.300 39.000 0.118 0.000 1.081 1226 F HN -0.187 nan 8.300 nan 0.000 0.558 1227 V N 0.800 120.900 119.914 0.310 0.000 2.346 1227 V HA -0.146 3.974 4.120 0.000 0.000 0.244 1227 V C -0.321 175.838 176.094 0.108 0.000 1.037 1227 V CA 1.550 63.993 62.300 0.238 0.000 1.029 1227 V CB -1.647 30.348 31.823 0.286 0.000 0.663 1227 V HN 0.127 nan 8.190 nan 0.000 0.454 1228 P HA -0.158 nan 4.420 nan 0.000 0.217 1228 P C -1.381 175.934 177.300 0.025 0.000 1.162 1228 P CA 2.273 65.399 63.100 0.043 0.000 0.901 1228 P CB -1.363 30.387 31.700 0.084 0.000 0.793 1229 P HA -0.074 nan 4.420 nan 0.000 0.220 1229 P C 1.545 178.918 177.300 0.122 0.000 1.148 1229 P CA 0.952 64.081 63.100 0.048 0.000 0.803 1229 P CB -0.387 31.298 31.700 -0.026 0.000 0.782 1230 V N -0.597 119.409 119.914 0.153 0.000 2.323 1230 V HA -0.159 3.961 4.120 0.000 0.000 0.244 1230 V C 2.442 178.659 176.094 0.206 0.000 1.041 1230 V CA 1.537 63.980 62.300 0.240 0.000 1.025 1230 V CB -1.120 30.889 31.823 0.309 0.000 0.656 1230 V HN -0.046 nan 8.190 nan 0.000 0.451 1231 V N -0.226 119.710 119.914 0.037 0.000 2.407 1231 V HA -0.264 3.857 4.120 0.000 0.000 0.248 1231 V C 2.603 178.714 176.094 0.029 0.000 1.055 1231 V CA 2.026 64.289 62.300 -0.063 0.000 1.049 1231 V CB -0.754 30.826 31.823 -0.405 0.000 0.662 1231 V HN 0.447 nan 8.190 nan 0.000 0.455 1232 R N -1.653 118.882 120.500 0.059 0.000 2.091 1232 R HA -0.244 4.097 4.340 0.000 0.000 0.238 1232 R C 2.119 178.499 176.300 0.134 0.000 1.136 1232 R CA 2.379 58.527 56.100 0.081 0.000 0.959 1232 R CB -0.355 29.994 30.300 0.081 0.000 0.856 1232 R HN 0.683 nan 8.270 nan 0.000 0.437 1233 W N 0.924 122.244 121.300 0.033 0.000 2.378 1233 W HA -0.111 4.550 4.660 0.000 0.000 0.313 1233 W C 1.644 178.213 176.519 0.083 0.000 1.197 1233 W CA 1.149 58.530 57.345 0.061 0.000 1.304 1233 W CB -0.369 29.143 29.460 0.086 0.000 1.148 1233 W HN -0.026 nan 8.180 nan 0.000 0.494 1234 L N 1.023 122.445 121.223 0.331 0.000 2.079 1234 L HA -0.300 4.040 4.340 0.000 0.000 0.210 1234 L C 2.281 179.190 176.870 0.065 0.000 1.081 1234 L CA 1.709 56.653 54.840 0.173 0.000 0.752 1234 L CB -1.048 41.147 42.059 0.227 0.000 0.896 1234 L HN 0.113 nan 8.230 nan 0.000 0.433 1235 N N 0.399 119.123 118.700 0.039 0.000 2.272 1235 N HA -0.207 4.533 4.740 0.000 0.000 0.185 1235 N C 1.281 176.719 175.510 -0.119 0.000 1.014 1235 N CA 1.370 54.426 53.050 0.010 0.000 0.870 1235 N CB 0.117 38.605 38.487 0.001 0.000 0.975 1235 N HN 0.422 nan 8.380 nan 0.000 0.433 1236 E N -1.172 118.886 120.200 -0.236 0.000 2.538 1236 E HA 0.124 4.474 4.350 0.000 0.000 0.207 1236 E C -0.197 176.065 176.600 -0.563 0.000 1.002 1236 E CA -0.104 56.089 56.400 -0.344 0.000 0.952 1236 E CB 0.443 29.985 29.700 -0.262 0.000 1.031 1236 E HN 0.274 nan 8.360 nan 0.000 0.476 1237 Q N 1.273 120.704 119.800 -0.615 0.000 2.894 1237 Q HA 0.169 4.509 4.340 0.000 0.000 0.358 1237 Q C -0.414 174.889 176.000 -1.163 0.000 1.155 1237 Q CA 0.148 55.446 55.803 -0.841 0.000 0.960 1237 Q CB -0.195 28.273 28.738 -0.450 0.000 1.428 1237 Q HN 0.154 nan 8.270 nan 0.000 0.437 1238 R N 0.693 120.406 120.500 -1.311 0.000 2.312 1238 R HA 0.298 4.638 4.340 0.000 0.000 0.310 1238 R C -0.269 175.497 176.300 -0.889 0.000 1.064 1238 R CA -0.251 55.206 56.100 -1.071 0.000 0.983 1238 R CB 0.427 30.189 30.300 -0.897 0.000 1.139 1238 R HN 0.237 nan 8.270 nan 0.000 0.536 1239 Y N 0.059 120.088 120.300 -0.451 0.000 2.467 1239 Y HA 0.205 4.756 4.550 0.000 0.000 0.250 1239 Y C -0.139 175.294 175.900 -0.777 0.000 1.155 1239 Y CA -0.441 57.279 58.100 -0.635 0.000 1.249 1239 Y CB 0.529 38.517 38.460 -0.786 0.000 1.146 1239 Y HN 0.381 nan 8.280 nan 0.000 0.524 1240 Y N 0.657 120.934 120.300 -0.038 0.000 2.646 1240 Y HA 0.562 5.112 4.550 0.001 0.000 0.334 1240 Y C 0.917 176.763 175.900 -0.090 0.000 1.004 1240 Y CA -0.977 57.093 58.100 -0.050 0.000 1.301 1240 Y CB 0.848 39.278 38.460 -0.050 0.000 1.093 1240 Y HN 0.237 nan 8.280 nan 0.000 0.530 1241 G N 1.173 109.978 108.800 0.008 0.000 2.682 1241 G HA2 -0.241 3.720 3.960 0.000 0.000 0.256 1241 G HA3 -0.241 3.720 3.960 0.000 0.000 0.256 1241 G C 0.936 175.762 174.900 -0.123 0.000 1.333 1241 G CA -0.310 44.758 45.100 -0.053 0.000 0.904 1241 G HN 1.123 nan 8.290 nan 0.000 0.569 1242 G N 0.150 108.868 108.800 -0.136 0.000 3.352 1242 G HA2 0.594 4.554 3.960 0.000 0.000 0.236 1242 G HA3 0.594 4.554 3.960 0.000 0.000 0.236 1242 G C 0.618 175.365 174.900 -0.256 0.000 1.324 1242 G CA 1.149 46.134 45.100 -0.191 0.000 1.404 1242 G HN 1.728 nan 8.290 nan 0.000 0.542 1243 G N -0.839 107.803 108.800 -0.265 0.000 2.696 1243 G HA2 0.509 4.469 3.960 0.000 0.000 0.295 1243 G HA3 0.509 4.469 3.960 0.000 0.000 0.295 1243 G C -0.953 173.779 174.900 -0.280 0.000 1.398 1243 G CA -1.001 43.939 45.100 -0.266 0.000 0.920 1243 G HN 0.097 nan 8.290 nan 0.000 0.492 1244 Y N 0.336 120.613 120.300 -0.039 0.000 2.480 1244 Y HA 0.357 4.907 4.550 0.000 0.000 0.338 1244 Y C 1.664 177.602 175.900 0.064 0.000 1.220 1244 Y CA 0.765 58.885 58.100 0.034 0.000 1.430 1244 Y CB 1.017 39.473 38.460 -0.007 0.000 1.311 1244 Y HN 0.566 nan 8.280 nan 0.000 0.575 1245 G N 0.416 109.363 108.800 0.245 0.000 2.471 1245 G HA2 -0.037 3.924 3.960 0.000 0.000 0.211 1245 G HA3 -0.037 3.924 3.960 0.000 0.000 0.211 1245 G C 0.666 175.466 174.900 -0.166 0.000 1.194 1245 G CA 0.538 45.603 45.100 -0.058 0.000 0.816 1245 G HN 0.606 nan 8.290 nan 0.000 0.545 1246 S N -0.370 115.232 115.700 -0.162 0.000 2.681 1246 S HA 0.360 4.830 4.470 0.000 0.000 0.270 1246 S C 1.917 176.409 174.600 -0.179 0.000 1.209 1246 S CA 0.711 58.779 58.200 -0.220 0.000 0.988 1246 S CB 1.244 64.342 63.200 -0.169 0.000 1.006 1246 S HN 0.394 nan 8.310 nan 0.000 0.558 1247 T N 0.582 115.067 114.554 -0.115 0.000 2.639 1247 T HA -0.101 4.249 4.350 0.000 0.000 0.261 1247 T C 1.781 176.101 174.700 -0.632 0.000 1.053 1247 T CA 0.936 62.744 62.100 -0.487 0.000 1.158 1247 T CB -0.849 68.051 68.868 0.054 0.000 0.863 1247 T HN 0.585 nan 8.240 nan 0.000 0.413 1248 Q N 1.343 121.140 119.800 -0.006 0.000 2.152 1248 Q HA -0.040 4.300 4.340 0.000 0.000 0.206 1248 Q C 2.745 178.771 176.000 0.044 0.000 0.985 1248 Q CA 1.903 57.761 55.803 0.093 0.000 0.863 1248 Q CB -0.974 27.905 28.738 0.235 0.000 0.904 1248 Q HN 0.722 nan 8.270 nan 0.000 0.422 1249 A N 0.089 122.928 122.820 0.031 0.000 1.858 1249 A HA -0.167 4.153 4.320 0.000 0.000 0.216 1249 A C 2.377 179.893 177.584 -0.112 0.000 1.190 1249 A CA 2.097 54.143 52.037 0.015 0.000 0.617 1249 A CB -0.890 18.151 19.000 0.069 0.000 0.827 1249 A HN 0.394 nan 8.150 nan 0.000 0.443 1250 T N -0.131 114.306 114.554 -0.194 0.000 2.701 1250 T HA -0.077 4.273 4.350 0.000 0.000 0.263 1250 T C 1.497 176.220 174.700 0.039 0.000 1.040 1250 T CA 1.627 63.631 62.100 -0.161 0.000 1.147 1250 T CB -0.441 68.356 68.868 -0.119 0.000 0.865 1250 T HN 0.396 nan 8.240 nan 0.000 0.426 1251 F N 0.533 120.573 119.950 0.150 0.000 2.365 1251 F HA 0.171 4.699 4.527 0.000 0.000 0.300 1251 F C 2.132 177.996 175.800 0.106 0.000 1.090 1251 F CA -0.040 58.086 58.000 0.211 0.000 1.408 1251 F CB -0.999 38.151 39.000 0.249 0.000 1.060 1251 F HN 0.103 nan 8.300 nan 0.000 0.534 1252 M N 0.115 119.802 119.600 0.146 0.000 2.123 1252 M HA -0.063 4.417 4.480 0.000 0.000 0.263 1252 M C 2.155 178.394 176.300 -0.102 0.000 1.069 1252 M CA 1.390 56.666 55.300 -0.040 0.000 1.133 1252 M CB -0.646 31.881 32.600 -0.122 0.000 1.356 1252 M HN -0.048 nan 8.290 nan 0.000 0.415 1253 V N -0.572 119.255 119.914 -0.145 0.000 2.379 1253 V HA -0.214 3.906 4.120 0.000 0.000 0.245 1253 V C 2.252 178.327 176.094 -0.032 0.000 1.044 1253 V CA 1.351 63.528 62.300 -0.204 0.000 1.036 1253 V CB -1.288 30.176 31.823 -0.599 0.000 0.664 1253 V HN 0.364 nan 8.190 nan 0.000 0.453 1254 F N 1.482 121.340 119.950 -0.152 0.000 2.043 1254 F HA -0.278 4.250 4.527 0.000 0.000 0.297 1254 F C 2.647 178.417 175.800 -0.051 0.000 1.121 1254 F CA 2.296 60.262 58.000 -0.056 0.000 1.199 1254 F CB -0.990 38.042 39.000 0.054 0.000 0.968 1254 F HN 0.221 nan 8.300 nan 0.000 0.478 1255 Q N -0.199 119.611 119.800 0.018 0.000 2.077 1255 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 1255 Q C 2.197 178.156 176.000 -0.068 0.000 0.989 1255 Q CA 2.070 57.806 55.803 -0.112 0.000 0.853 1255 Q CB -0.340 28.359 28.738 -0.065 0.000 0.907 1255 Q HN 0.466 nan 8.270 nan 0.000 0.418 1256 A N 0.392 123.178 122.820 -0.057 0.000 1.898 1256 A HA -0.063 4.257 4.320 0.000 0.000 0.214 1256 A C 2.058 179.666 177.584 0.040 0.000 1.183 1256 A CA 0.729 52.735 52.037 -0.052 0.000 0.622 1256 A CB -0.563 18.369 19.000 -0.114 0.000 0.824 1256 A HN 0.421 nan 8.150 nan 0.000 0.444 1257 L N -0.611 120.646 121.223 0.056 0.000 2.083 1257 L HA -0.197 4.144 4.340 0.000 0.000 0.209 1257 L C 3.030 179.978 176.870 0.130 0.000 1.083 1257 L CA 1.100 56.008 54.840 0.114 0.000 0.752 1257 L CB -0.377 41.743 42.059 0.102 0.000 0.899 1257 L HN 0.444 nan 8.230 nan 0.000 0.433 1258 A N -0.958 121.878 122.820 0.027 0.000 1.968 1258 A HA -0.232 4.088 4.320 0.000 0.000 0.217 1258 A C 2.167 179.791 177.584 0.067 0.000 1.169 1258 A CA 1.369 53.349 52.037 -0.096 0.000 0.638 1258 A CB -0.355 18.463 19.000 -0.304 0.000 0.812 1258 A HN 0.361 nan 8.150 nan 0.000 0.446 1259 Q N -1.576 118.268 119.800 0.074 0.000 2.167 1259 Q HA -0.152 4.189 4.340 0.000 0.000 0.202 1259 Q C 1.695 177.796 176.000 0.168 0.000 0.970 1259 Q CA 1.716 57.581 55.803 0.102 0.000 0.855 1259 Q CB -0.589 28.184 28.738 0.059 0.000 0.911 1259 Q HN 0.742 nan 8.270 nan 0.000 0.438 1260 Y N 0.378 120.727 120.300 0.081 0.000 2.181 1260 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 1260 Y C 1.887 177.861 175.900 0.123 0.000 1.146 1260 Y CA 1.815 59.989 58.100 0.122 0.000 1.164 1260 Y CB 0.003 38.532 38.460 0.114 0.000 0.982 1260 Y HN 0.150 nan 8.280 nan 0.000 0.515 1261 Q N 0.279 120.118 119.800 0.066 0.000 2.124 1261 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 1261 Q C 2.028 178.033 176.000 0.008 0.000 0.977 1261 Q CA 1.755 57.580 55.803 0.036 0.000 0.850 1261 Q CB -0.163 28.764 28.738 0.315 0.000 0.901 1261 Q HN 0.512 nan 8.270 nan 0.000 0.429 1262 K N -0.041 120.400 120.400 0.068 0.000 2.262 1262 K HA -0.038 4.282 4.320 0.000 0.000 0.200 1262 K C 0.740 177.333 176.600 -0.012 0.000 1.049 1262 K CA 0.682 56.993 56.287 0.040 0.000 0.979 1262 K CB 0.452 33.003 32.500 0.085 0.000 0.773 1262 K HN 0.016 nan 8.250 nan 0.000 0.474 1263 D N 0.165 120.566 120.400 0.002 0.000 2.395 1263 D HA 0.113 4.753 4.640 0.000 0.000 0.213 1263 D C -0.409 175.855 176.300 -0.062 0.000 1.110 1263 D CA 0.036 54.069 54.000 0.055 0.000 0.835 1263 D CB 0.565 41.487 40.800 0.204 0.000 0.965 1263 D HN 0.077 nan 8.370 nan 0.000 0.505 1264 A N 2.145 124.813 122.820 -0.254 0.000 2.454 1264 A HA 0.320 4.641 4.320 0.000 0.000 0.260 1264 A C -1.199 176.104 177.584 -0.468 0.000 1.106 1264 A CA -0.738 51.017 52.037 -0.469 0.000 0.780 1264 A CB 0.457 19.126 19.000 -0.552 0.000 1.044 1264 A HN -0.054 nan 8.150 nan 0.000 0.498 1265 P HA 0.093 nan 4.420 nan 0.000 0.253 1265 P C -0.676 176.450 177.300 -0.290 0.000 1.260 1265 P CA 0.423 63.257 63.100 -0.443 0.000 0.800 1265 P CB 0.258 31.633 31.700 -0.542 0.000 1.162 1266 D N 0.095 120.325 120.400 -0.283 0.000 2.344 1266 D HA 0.066 4.707 4.640 0.000 0.000 0.239 1266 D C 0.114 176.324 176.300 -0.150 0.000 1.064 1266 D CA -0.352 53.550 54.000 -0.163 0.000 0.829 1266 D CB 0.960 41.693 40.800 -0.111 0.000 1.129 1266 D HN 0.047 nan 8.370 nan 0.000 0.506 1267 H N 2.273 121.237 119.070 -0.177 0.000 3.109 1267 H HA -0.028 4.529 4.556 0.001 0.000 0.298 1267 H C 0.045 175.239 175.328 -0.223 0.000 1.248 1267 H CA 0.091 56.013 56.048 -0.211 0.000 1.204 1267 H CB -0.096 29.560 29.762 -0.177 0.000 1.367 1267 H HN 0.230 nan 8.280 nan 0.000 0.592 1268 Q N 1.703 121.469 119.800 -0.057 0.000 2.385 1268 Q HA -0.065 4.276 4.340 0.000 0.000 0.273 1268 Q C 0.177 176.121 176.000 -0.093 0.000 1.281 1268 Q CA 0.649 56.422 55.803 -0.050 0.000 0.952 1268 Q CB -0.249 28.478 28.738 -0.018 0.000 1.419 1268 Q HN 0.625 nan 8.270 nan 0.000 0.472 1269 E N 2.305 122.449 120.200 -0.093 0.000 2.283 1269 E HA 0.286 4.636 4.350 0.000 0.000 0.267 1269 E C -0.640 175.938 176.600 -0.038 0.000 1.045 1269 E CA -0.708 55.602 56.400 -0.150 0.000 0.884 1269 E CB 1.008 30.594 29.700 -0.190 0.000 1.106 1269 E HN 0.441 nan 8.360 nan 0.000 0.408 1270 L N 3.589 124.849 121.223 0.061 0.000 2.260 1270 L HA 0.222 4.562 4.340 0.000 0.000 0.289 1270 L C 0.409 177.273 176.870 -0.010 0.000 1.057 1270 L CA 0.035 54.939 54.840 0.107 0.000 0.811 1270 L CB 0.464 42.690 42.059 0.277 0.000 1.184 1270 L HN 0.386 nan 8.230 nan 0.000 0.429 1271 N N 4.659 123.296 118.700 -0.106 0.000 2.628 1271 N HA 0.217 4.957 4.740 0.000 0.000 0.299 1271 N C -0.800 174.576 175.510 -0.223 0.000 1.834 1271 N CA -0.208 52.664 53.050 -0.297 0.000 0.871 1271 N CB 0.607 38.986 38.487 -0.179 0.000 1.377 1271 N HN 0.458 nan 8.380 nan 0.000 0.493 1272 L N 0.447 121.585 121.223 -0.142 0.000 2.426 1272 L HA 0.197 4.537 4.340 0.000 0.000 0.271 1272 L C 0.534 177.394 176.870 -0.017 0.000 1.169 1272 L CA 0.334 55.147 54.840 -0.044 0.000 0.836 1272 L CB 0.676 42.739 42.059 0.007 0.000 1.112 1272 L HN 0.074 nan 8.230 nan 0.000 0.465 1273 D N 3.106 123.516 120.400 0.017 0.000 2.441 1273 D HA 0.197 4.837 4.640 0.000 0.000 0.287 1273 D C -0.964 175.373 176.300 0.062 0.000 1.198 1273 D CA -0.298 53.732 54.000 0.050 0.000 0.894 1273 D CB 1.094 41.919 40.800 0.042 0.000 1.070 1273 D HN 0.051 nan 8.370 nan 0.000 0.499 1274 V N 2.428 122.395 119.914 0.088 0.000 2.461 1274 V HA 0.294 4.414 4.120 0.000 0.000 0.275 1274 V C 0.674 176.835 176.094 0.113 0.000 1.047 1274 V CA -0.427 61.931 62.300 0.097 0.000 0.955 1274 V CB 1.096 32.984 31.823 0.109 0.000 0.988 1274 V HN 0.522 nan 8.190 nan 0.000 0.471 1275 S N 5.801 121.553 115.700 0.087 0.000 2.503 1275 S HA 0.863 5.333 4.470 0.000 0.000 0.301 1275 S C -1.016 173.641 174.600 0.096 0.000 1.087 1275 S CA -0.826 57.420 58.200 0.077 0.000 1.042 1275 S CB 1.609 64.838 63.200 0.048 0.000 1.043 1275 S HN 0.433 nan 8.310 nan 0.000 0.489 1276 L N 2.112 123.395 121.223 0.101 0.000 2.356 1276 L HA 0.555 4.896 4.340 0.000 0.000 0.277 1276 L C -0.153 176.777 176.870 0.100 0.000 0.996 1276 L CA -0.296 54.627 54.840 0.138 0.000 0.822 1276 L CB 1.996 44.150 42.059 0.158 0.000 1.256 1276 L HN 0.787 nan 8.230 nan 0.000 0.413 1277 Q N 3.799 123.676 119.800 0.128 0.000 2.523 1277 Q HA 0.456 4.796 4.340 0.000 0.000 0.251 1277 Q C -1.400 174.675 176.000 0.126 0.000 1.033 1277 Q CA -0.695 55.163 55.803 0.092 0.000 0.746 1277 Q CB 1.022 29.801 28.738 0.068 0.000 1.189 1277 Q HN 0.553 nan 8.270 nan 0.000 0.508 1278 L N 5.741 127.005 121.223 0.067 0.000 2.367 1278 L HA 0.215 4.555 4.340 0.000 0.000 0.275 1278 L C -1.283 175.609 176.870 0.037 0.000 1.129 1278 L CA -1.133 53.731 54.840 0.040 0.000 0.839 1278 L CB 0.662 42.668 42.059 -0.088 0.000 1.133 1278 L HN 0.536 nan 8.230 nan 0.000 0.453 1279 P HA -0.113 nan 4.420 nan 0.000 0.231 1279 P C 1.158 178.465 177.300 0.012 0.000 1.158 1279 P CA 0.744 63.864 63.100 0.033 0.000 0.763 1279 P CB 0.496 32.219 31.700 0.039 0.000 0.805 1280 S N -1.334 114.366 115.700 -0.001 0.000 2.470 1280 S HA 0.080 4.550 4.470 0.000 0.000 0.222 1280 S C 1.132 175.724 174.600 -0.012 0.000 1.024 1280 S CA -0.256 57.938 58.200 -0.011 0.000 0.931 1280 S CB -0.166 63.020 63.200 -0.023 0.000 0.791 1280 S HN 0.012 nan 8.310 nan 0.000 0.513 1281 R N 0.624 121.114 120.500 -0.017 0.000 2.368 1281 R HA 0.413 4.754 4.340 0.000 0.000 0.302 1281 R C 0.912 177.208 176.300 -0.006 0.000 1.002 1281 R CA 0.066 56.157 56.100 -0.015 0.000 0.929 1281 R CB 1.009 31.293 30.300 -0.026 0.000 1.073 1281 R HN 0.167 nan 8.270 nan 0.000 0.464 1282 S N 0.633 116.329 115.700 -0.005 0.000 2.357 1282 S HA -0.037 4.433 4.470 0.000 0.000 0.221 1282 S C 0.274 174.873 174.600 -0.003 0.000 1.031 1282 S CA 0.670 58.869 58.200 -0.002 0.000 0.982 1282 S CB 0.223 63.422 63.200 -0.002 0.000 0.853 1282 S HN 0.597 nan 8.310 nan 0.000 0.458 1283 S N 2.002 117.698 115.700 -0.007 0.000 2.513 1283 S HA 0.297 4.767 4.470 0.000 0.000 0.276 1283 S C 0.032 174.626 174.600 -0.010 0.000 1.254 1283 S CA -0.545 57.649 58.200 -0.010 0.000 1.053 1283 S CB 0.957 64.148 63.200 -0.015 0.000 0.958 1283 S HN 0.250 nan 8.310 nan 0.000 0.491 1284 K N 1.667 122.063 120.400 -0.007 0.000 2.286 1284 K HA 0.197 4.518 4.320 0.000 0.000 0.256 1284 K C -0.315 176.270 176.600 -0.024 0.000 0.999 1284 K CA -0.017 56.268 56.287 -0.003 0.000 0.908 1284 K CB 0.241 32.743 32.500 0.004 0.000 0.981 1284 K HN 0.430 nan 8.250 nan 0.000 0.500 1285 I N 2.099 122.656 120.570 -0.022 0.000 2.362 1285 I HA 0.139 4.309 4.170 0.000 0.000 0.289 1285 I C -0.250 175.813 176.117 -0.091 0.000 0.994 1285 I CA -0.323 60.931 61.300 -0.078 0.000 1.158 1285 I CB 1.321 39.295 38.000 -0.043 0.000 1.315 1285 I HN 0.469 nan 8.210 nan 0.000 0.451 1286 T N 5.218 119.670 114.554 -0.169 0.000 3.053 1286 T HA 0.338 4.688 4.350 0.000 0.000 0.363 1286 T C -0.039 174.568 174.700 -0.154 0.000 1.239 1286 T CA -0.397 61.644 62.100 -0.097 0.000 1.071 1286 T CB 0.016 68.857 68.868 -0.045 0.000 1.089 1286 T HN 0.291 nan 8.240 nan 0.000 0.527 1287 H N 2.610 121.709 119.070 0.048 0.000 2.502 1287 H HA 0.438 4.994 4.556 0.001 0.000 0.327 1287 H C 0.279 175.654 175.328 0.078 0.000 1.099 1287 H CA -0.371 55.712 56.048 0.058 0.000 1.323 1287 H CB 1.262 31.056 29.762 0.052 0.000 1.450 1287 H HN 0.339 nan 8.280 nan 0.000 0.502 1288 R N 3.232 123.875 120.500 0.237 0.000 2.407 1288 R HA 0.336 4.676 4.340 0.000 0.000 0.298 1288 R C -0.392 176.103 176.300 0.325 0.000 1.166 1288 R CA -0.376 55.877 56.100 0.256 0.000 1.006 1288 R CB 0.723 31.195 30.300 0.287 0.000 1.145 1288 R HN 0.463 nan 8.270 nan 0.000 0.538 1289 I N 3.352 124.043 120.570 0.202 0.000 2.337 1289 I HA 0.179 4.350 4.170 0.000 0.000 0.291 1289 I C 0.340 176.532 176.117 0.126 0.000 1.046 1289 I CA -0.053 61.351 61.300 0.172 0.000 1.324 1289 I CB 0.423 38.482 38.000 0.098 0.000 1.409 1289 I HN 0.385 nan 8.210 nan 0.000 0.494 1290 H N 5.420 124.554 119.070 0.107 0.000 2.538 1290 H HA 0.136 4.693 4.556 0.000 0.000 0.353 1290 H C -0.832 174.599 175.328 0.171 0.000 1.109 1290 H CA -0.739 55.393 56.048 0.140 0.000 1.192 1290 H CB 2.246 32.074 29.762 0.110 0.000 1.555 1290 H HN 0.599 nan 8.280 nan 0.000 0.518 1291 W N 3.362 124.737 121.300 0.125 0.000 2.193 1291 W HA -0.033 4.627 4.660 0.000 0.000 0.338 1291 W C -0.066 176.523 176.519 0.118 0.000 1.310 1291 W CA 0.862 58.269 57.345 0.104 0.000 1.243 1291 W CB 0.231 29.739 29.460 0.080 0.000 1.165 1291 W HN 0.829 nan 8.180 nan 0.000 0.566 1292 E N 2.246 122.344 120.200 -0.170 0.000 2.309 1292 E HA -0.178 4.172 4.350 0.000 0.000 0.250 1292 E C -0.814 175.782 176.600 -0.006 0.000 1.120 1292 E CA 0.799 57.181 56.400 -0.030 0.000 0.730 1292 E CB -1.711 28.088 29.700 0.165 0.000 1.271 1292 E HN 0.424 nan 8.360 nan 0.000 0.396 1293 S N -1.761 113.902 115.700 -0.062 0.000 2.584 1293 S HA 0.598 5.068 4.470 0.000 0.000 0.280 1293 S C -0.195 174.397 174.600 -0.013 0.000 1.162 1293 S CA -0.437 57.758 58.200 -0.010 0.000 0.951 1293 S CB 1.872 65.091 63.200 0.033 0.000 1.108 1293 S HN 0.604 nan 8.310 nan 0.000 0.464 1294 A N 2.645 125.477 122.820 0.020 0.000 2.752 1294 A HA 0.571 4.891 4.320 0.000 0.000 0.292 1294 A C 1.224 178.864 177.584 0.094 0.000 1.597 1294 A CA 0.546 52.630 52.037 0.079 0.000 1.241 1294 A CB -1.544 17.485 19.000 0.047 0.000 1.061 1294 A HN 2.127 nan 8.150 nan 0.000 0.576 1295 S N 1.032 116.788 115.700 0.093 0.000 7.171 1295 S HA -0.001 4.469 4.470 0.000 0.000 0.054 1295 S C 0.541 175.165 174.600 0.039 0.000 1.447 1295 S CA 0.284 58.534 58.200 0.085 0.000 1.096 1295 S CB -0.826 62.412 63.200 0.063 0.000 1.278 1295 S HN 1.309 nan 8.310 nan 0.000 0.541 1296 L N 1.838 123.075 121.223 0.022 0.000 4.429 1296 L HA -0.131 4.210 4.340 0.000 0.000 0.422 1296 L C -0.544 176.342 176.870 0.026 0.000 1.149 1296 L CA 0.495 55.350 54.840 0.025 0.000 0.972 1296 L CB -1.844 40.212 42.059 -0.005 0.000 2.059 1296 L HN 0.541 nan 8.230 nan 0.000 0.870 1297 L N -0.691 120.546 121.223 0.023 0.000 2.354 1297 L HA 0.790 5.131 4.340 0.000 0.000 0.264 1297 L C -0.023 176.828 176.870 -0.031 0.000 1.008 1297 L CA -0.720 54.119 54.840 -0.001 0.000 0.819 1297 L CB 2.340 44.406 42.059 0.011 0.000 1.339 1297 L HN 0.031 nan 8.230 nan 0.000 0.420 1298 R N 0.385 120.827 120.500 -0.097 0.000 2.579 1298 R HA 0.495 4.836 4.340 0.000 0.000 0.260 1298 R C -1.527 174.630 176.300 -0.238 0.000 1.103 1298 R CA -0.404 55.571 56.100 -0.208 0.000 0.942 1298 R CB 2.356 32.394 30.300 -0.437 0.000 1.251 1298 R HN 0.758 nan 8.270 nan 0.000 0.450 1299 S N 1.145 116.742 115.700 -0.172 0.000 2.595 1299 S HA 0.729 5.199 4.470 0.000 0.000 0.281 1299 S C -1.040 173.534 174.600 -0.043 0.000 1.117 1299 S CA -0.963 57.176 58.200 -0.103 0.000 0.873 1299 S CB 2.728 65.896 63.200 -0.052 0.000 1.108 1299 S HN 0.397 nan 8.310 nan 0.000 0.477 1300 E N 0.582 120.764 120.200 -0.030 0.000 2.356 1300 E HA 0.520 4.870 4.350 0.000 0.000 0.275 1300 E C -1.495 175.078 176.600 -0.045 0.000 0.904 1300 E CA -0.487 55.909 56.400 -0.008 0.000 0.757 1300 E CB 2.359 32.067 29.700 0.013 0.000 1.232 1300 E HN 0.754 nan 8.360 nan 0.000 0.442 1301 E N 0.417 120.592 120.200 -0.041 0.000 2.238 1301 E HA 0.584 4.934 4.350 0.000 0.000 0.267 1301 E C -1.094 175.464 176.600 -0.069 0.000 0.887 1301 E CA -0.603 55.767 56.400 -0.051 0.000 0.769 1301 E CB 1.956 31.642 29.700 -0.023 0.000 1.187 1301 E HN 0.354 nan 8.360 nan 0.000 0.416 1302 T N 0.078 114.582 114.554 -0.082 0.000 2.912 1302 T HA 0.378 4.728 4.350 0.000 0.000 0.299 1302 T C 0.450 175.124 174.700 -0.044 0.000 1.052 1302 T CA -1.077 60.977 62.100 -0.077 0.000 0.996 1302 T CB 1.721 70.510 68.868 -0.131 0.000 1.070 1302 T HN 0.268 nan 8.240 nan 0.000 0.465 1303 K N 0.289 120.675 120.400 -0.023 0.000 2.418 1303 K HA 0.107 4.427 4.320 0.000 0.000 0.195 1303 K C 0.547 177.145 176.600 -0.003 0.000 1.035 1303 K CA 0.431 56.718 56.287 0.001 0.000 1.003 1303 K CB 0.411 32.921 32.500 0.016 0.000 0.793 1303 K HN 0.631 nan 8.250 nan 0.000 0.494 1304 E N 1.200 121.385 120.200 -0.025 0.000 2.204 1304 E HA 0.065 4.416 4.350 0.000 0.000 0.276 1304 E C -0.672 175.903 176.600 -0.042 0.000 0.974 1304 E CA -0.449 55.934 56.400 -0.029 0.000 0.815 1304 E CB 0.835 30.518 29.700 -0.029 0.000 1.119 1304 E HN -0.138 nan 8.360 nan 0.000 0.393 1305 N N 3.662 122.332 118.700 -0.049 0.000 3.124 1305 N HA 0.015 4.755 4.740 0.000 0.000 0.284 1305 N C -1.231 174.260 175.510 -0.031 0.000 1.209 1305 N CA 0.012 53.029 53.050 -0.054 0.000 1.149 1305 N CB 0.151 38.579 38.487 -0.099 0.000 1.434 1305 N HN 0.354 nan 8.380 nan 0.000 0.529 1306 E N -0.281 119.920 120.200 0.003 0.000 2.248 1306 E HA 0.357 4.707 4.350 0.000 0.000 0.272 1306 E C 0.194 176.881 176.600 0.145 0.000 1.008 1306 E CA -0.824 55.602 56.400 0.043 0.000 0.856 1306 E CB 1.276 30.997 29.700 0.033 0.000 1.120 1306 E HN 0.441 nan 8.360 nan 0.000 0.397 1307 G N 2.185 111.051 108.800 0.110 0.000 2.333 1307 G HA2 0.456 4.416 3.960 0.000 0.000 0.290 1307 G HA3 0.456 4.416 3.960 0.000 0.000 0.290 1307 G C -0.495 174.515 174.900 0.183 0.000 1.150 1307 G CA -0.368 44.802 45.100 0.116 0.000 0.895 1307 G HN 0.363 nan 8.290 nan 0.000 0.444 1308 F N 0.169 120.101 119.950 -0.029 0.000 2.654 1308 F HA 0.882 5.409 4.527 0.000 0.000 0.334 1308 F C -0.185 175.605 175.800 -0.017 0.000 1.078 1308 F CA -1.266 56.722 58.000 -0.020 0.000 0.986 1308 F CB 1.745 40.736 39.000 -0.015 0.000 1.362 1308 F HN 0.288 nan 8.300 nan 0.000 0.498 1309 T N 1.517 116.088 114.554 0.027 0.000 2.848 1309 T HA 0.600 4.950 4.350 0.000 0.000 0.285 1309 T C -1.026 173.686 174.700 0.020 0.000 0.995 1309 T CA -0.600 61.457 62.100 -0.073 0.000 0.970 1309 T CB 1.796 70.648 68.868 -0.027 0.000 0.976 1309 T HN 0.562 nan 8.240 nan 0.000 0.441 1310 V N 3.090 122.979 119.914 -0.040 0.000 2.581 1310 V HA 0.671 4.792 4.120 0.000 0.000 0.303 1310 V C -0.047 176.056 176.094 0.015 0.000 1.041 1310 V CA -0.726 61.592 62.300 0.031 0.000 0.907 1310 V CB 2.025 33.861 31.823 0.021 0.000 0.994 1310 V HN 1.029 nan 8.190 nan 0.000 0.442 1311 T N 3.355 117.933 114.554 0.039 0.000 2.840 1311 T HA 0.742 5.093 4.350 0.000 0.000 0.287 1311 T C -0.192 174.529 174.700 0.035 0.000 0.991 1311 T CA -0.329 61.787 62.100 0.027 0.000 0.964 1311 T CB 1.582 70.466 68.868 0.027 0.000 0.954 1311 T HN 0.947 nan 8.240 nan 0.000 0.438 1312 A N 2.786 125.620 122.820 0.024 0.000 2.320 1312 A HA 0.858 5.178 4.320 0.000 0.000 0.334 1312 A C -0.399 177.197 177.584 0.020 0.000 1.147 1312 A CA -0.735 51.318 52.037 0.027 0.000 0.820 1312 A CB 1.175 20.188 19.000 0.022 0.000 1.218 1312 A HN 0.808 nan 8.150 nan 0.000 0.482 1313 E N 0.453 120.665 120.200 0.020 0.000 2.287 1313 E HA 0.487 4.837 4.350 0.000 0.000 0.274 1313 E C -0.366 176.238 176.600 0.007 0.000 0.896 1313 E CA 0.112 56.521 56.400 0.015 0.000 0.788 1313 E CB 1.462 31.173 29.700 0.018 0.000 1.244 1313 E HN 1.989 nan 8.360 nan 0.000 0.408 1314 G N 3.896 112.699 108.800 0.004 0.000 3.273 1314 G HA2 -0.207 3.753 3.960 0.000 0.000 0.325 1314 G HA3 -0.207 3.753 3.960 0.000 0.000 0.325 1314 G C -0.765 174.129 174.900 -0.011 0.000 0.960 1314 G CA 0.298 45.396 45.100 -0.003 0.000 0.808 1314 G HN 0.635 nan 8.290 nan 0.000 0.387 1315 K N -1.436 118.960 120.400 -0.006 0.000 6.958 1315 K HA 0.412 4.733 4.320 0.000 0.000 0.778 1315 K C 0.667 177.266 176.600 -0.003 0.000 2.415 1315 K CA 2.360 58.640 56.287 -0.010 0.000 1.749 1315 K CB -0.865 31.618 32.500 -0.027 0.000 2.102 1315 K HN 2.723 nan 8.250 nan 0.000 0.285 1316 G N 1.746 110.556 108.800 0.016 0.000 2.535 1316 G HA2 0.175 4.135 3.960 0.000 0.000 0.662 1316 G HA3 0.175 4.135 3.960 0.000 0.000 0.662 1316 G C -1.652 173.283 174.900 0.057 0.000 1.417 1316 G CA -0.567 44.557 45.100 0.041 0.000 0.866 1316 G HN 0.538 nan 8.290 nan 0.000 0.647 1317 Q N 0.850 120.701 119.800 0.085 0.000 2.368 1317 Q HA 0.654 4.994 4.340 0.000 0.000 0.263 1317 Q C 0.418 176.478 176.000 0.101 0.000 1.009 1317 Q CA -0.049 55.811 55.803 0.095 0.000 0.818 1317 Q CB 1.107 29.924 28.738 0.131 0.000 1.239 1317 Q HN 1.307 nan 8.270 nan 0.000 0.464 1318 G N 1.596 110.438 108.800 0.071 0.000 3.021 1318 G HA2 0.661 4.621 3.960 0.000 0.000 0.290 1318 G HA3 0.661 4.621 3.960 0.000 0.000 0.290 1318 G C -1.118 173.799 174.900 0.029 0.000 1.291 1318 G CA -0.418 44.718 45.100 0.060 0.000 0.834 1318 G HN 0.473 nan 8.290 nan 0.000 0.564 1319 T N -0.408 114.153 114.554 0.011 0.000 2.916 1319 T HA 0.561 4.911 4.350 0.000 0.000 0.292 1319 T C -1.276 173.409 174.700 -0.026 0.000 1.064 1319 T CA -0.336 61.753 62.100 -0.019 0.000 1.011 1319 T CB 1.970 70.816 68.868 -0.037 0.000 1.152 1319 T HN 0.803 nan 8.240 nan 0.000 0.510 1320 L N 2.490 123.688 121.223 -0.042 0.000 2.480 1320 L HA 0.479 4.819 4.340 0.000 0.000 0.253 1320 L C -0.039 176.801 176.870 -0.049 0.000 1.324 1320 L CA -0.416 54.405 54.840 -0.032 0.000 0.916 1320 L CB 0.554 42.603 42.059 -0.017 0.000 1.160 1320 L HN 0.706 nan 8.230 nan 0.000 0.503 1321 S N 1.961 117.622 115.700 -0.064 0.000 2.499 1321 S HA 0.704 5.174 4.470 0.000 0.000 0.275 1321 S C -0.177 174.401 174.600 -0.037 0.000 1.257 1321 S CA -0.527 57.623 58.200 -0.084 0.000 1.050 1321 S CB 1.231 64.359 63.200 -0.121 0.000 0.937 1321 S HN 0.318 nan 8.310 nan 0.000 0.490 1322 V N 4.331 124.231 119.914 -0.024 0.000 2.409 1322 V HA 0.571 4.691 4.120 0.000 0.000 0.291 1322 V C -0.531 175.564 176.094 0.001 0.000 1.020 1322 V CA -0.650 61.671 62.300 0.036 0.000 0.848 1322 V CB 1.397 33.295 31.823 0.125 0.000 0.990 1322 V HN 0.860 nan 8.190 nan 0.000 0.430 1323 V N 3.768 123.681 119.914 -0.002 0.000 2.623 1323 V HA 0.584 4.704 4.120 0.000 0.000 0.304 1323 V C 0.092 176.186 176.094 0.001 0.000 1.054 1323 V CA -0.519 61.772 62.300 -0.014 0.000 0.882 1323 V CB 2.483 34.284 31.823 -0.037 0.000 1.002 1323 V HN 0.972 nan 8.190 nan 0.000 0.424 1324 T N 2.535 117.096 114.554 0.011 0.000 2.867 1324 T HA 0.750 5.100 4.350 0.000 0.000 0.282 1324 T C -0.428 174.315 174.700 0.072 0.000 1.000 1324 T CA -0.613 61.501 62.100 0.022 0.000 1.042 1324 T CB 1.703 70.565 68.868 -0.010 0.000 0.973 1324 T HN 0.681 nan 8.240 nan 0.000 0.465 1325 M N 4.508 124.153 119.600 0.074 0.000 2.294 1325 M HA 0.620 5.100 4.480 0.000 0.000 0.335 1325 M C -1.762 174.624 176.300 0.143 0.000 1.079 1325 M CA -0.895 54.453 55.300 0.081 0.000 0.982 1325 M CB 1.132 33.734 32.600 0.004 0.000 1.651 1325 M HN 0.999 nan 8.290 nan 0.000 0.437 1326 Y N 1.186 121.400 120.300 -0.145 0.000 2.744 1326 Y HA 0.542 5.092 4.550 0.001 0.000 0.330 1326 Y C -1.632 174.100 175.900 -0.281 0.000 1.263 1326 Y CA -1.209 56.809 58.100 -0.136 0.000 1.065 1326 Y CB 1.263 39.718 38.460 -0.008 0.000 1.306 1326 Y HN 0.597 nan 8.280 nan 0.000 0.459 1327 H N 1.557 120.559 119.070 -0.114 0.000 2.725 1327 H HA 0.627 5.183 4.556 0.000 0.000 0.283 1327 H C -0.538 174.664 175.328 -0.210 0.000 1.110 1327 H CA -0.460 55.472 56.048 -0.194 0.000 1.289 1327 H CB 1.237 30.999 29.762 0.000 0.000 1.400 1327 H HN 0.892 nan 8.280 nan 0.000 0.493 1328 A N 3.947 126.533 122.820 -0.390 0.000 2.371 1328 A HA 0.201 4.522 4.320 0.000 0.000 0.257 1328 A C 0.672 178.262 177.584 0.009 0.000 1.089 1328 A CA -0.455 51.514 52.037 -0.113 0.000 0.794 1328 A CB 0.662 19.577 19.000 -0.142 0.000 1.029 1328 A HN 0.633 nan 8.150 nan 0.000 0.488 1329 K N 0.490 120.909 120.400 0.033 0.000 2.156 1329 K HA 0.338 4.658 4.320 0.000 0.000 0.242 1329 K C 1.306 177.811 176.600 -0.159 0.000 1.033 1329 K CA 0.215 56.488 56.287 -0.024 0.000 0.878 1329 K CB 0.432 32.914 32.500 -0.030 0.000 1.057 1329 K HN 0.793 nan 8.250 nan 0.000 0.505 1330 A N 1.569 124.177 122.820 -0.354 0.000 3.154 1330 A HA -0.067 4.253 4.320 0.000 0.000 0.157 1330 A C -0.104 176.952 177.584 -0.881 0.000 0.966 1330 A CA 0.985 52.393 52.037 -1.048 0.000 1.076 1330 A CB -0.427 18.008 19.000 -0.941 0.000 0.868 1330 A HN 0.830 nan 8.150 nan 0.000 0.549 1331 K N -0.773 119.212 120.400 -0.691 0.000 7.036 1331 K HA -0.139 4.181 4.320 0.000 0.000 0.759 1331 K C -1.646 174.969 176.600 0.025 0.000 2.417 1331 K CA 0.648 56.797 56.287 -0.230 0.000 1.750 1331 K CB -1.239 31.195 32.500 -0.111 0.000 1.984 1331 K HN 0.650 nan 8.250 nan 0.000 0.300 1332 D N 3.545 124.058 120.400 0.189 0.000 2.423 1332 D HA -0.027 4.613 4.640 0.000 0.000 0.238 1332 D C 0.364 176.787 176.300 0.205 0.000 1.142 1332 D CA 0.143 54.335 54.000 0.320 0.000 0.884 1332 D CB 0.617 41.550 40.800 0.221 0.000 1.199 1332 D HN 0.387 nan 8.370 nan 0.000 0.438 1333 Q N 1.143 121.061 119.800 0.196 0.000 2.315 1333 Q HA -0.042 4.298 4.340 0.000 0.000 0.289 1333 Q C 0.492 176.552 176.000 0.101 0.000 1.044 1333 Q CA -0.337 55.547 55.803 0.136 0.000 0.920 1333 Q CB 0.642 29.447 28.738 0.111 0.000 1.214 1333 Q HN 0.495 nan 8.270 nan 0.000 0.392 1334 L N 3.503 124.775 121.223 0.082 0.000 2.131 1334 L HA 0.025 4.366 4.340 0.000 0.000 0.206 1334 L C 0.413 177.318 176.870 0.057 0.000 1.087 1334 L CA 1.650 56.528 54.840 0.063 0.000 0.767 1334 L CB 0.475 42.565 42.059 0.051 0.000 0.917 1334 L HN 0.621 nan 8.230 nan 0.000 0.441 1335 T N -0.555 114.035 114.554 0.060 0.000 3.317 1335 T HA 0.179 4.529 4.350 0.000 0.000 0.361 1335 T C -0.338 174.403 174.700 0.067 0.000 1.499 1335 T CA -0.515 61.618 62.100 0.054 0.000 1.529 1335 T CB -0.103 68.790 68.868 0.041 0.000 0.997 1335 T HN 0.009 nan 8.240 nan 0.000 0.624 1336 c N 3.034 121.682 118.600 0.080 0.000 2.693 1336 c HA 0.113 4.683 4.570 0.000 0.000 0.393 1336 c C 2.043 176.185 174.090 0.086 0.000 1.348 1336 c CA -0.376 56.017 56.329 0.105 0.000 1.508 1336 c CB -1.716 40.868 42.510 0.124 0.000 2.295 1336 c HN 0.815 nan 8.230 nan 0.000 0.605 1337 N N 1.136 119.886 118.700 0.083 0.000 2.415 1337 N HA 0.006 4.747 4.740 0.000 0.000 0.176 1337 N C 1.284 176.794 175.510 -0.001 0.000 1.042 1337 N CA 0.791 53.864 53.050 0.039 0.000 0.902 1337 N CB 0.300 38.809 38.487 0.037 0.000 0.986 1337 N HN 0.560 nan 8.380 nan 0.000 0.447 1338 K N -1.186 119.235 120.400 0.036 0.000 2.491 1338 K HA 0.256 4.576 4.320 0.000 0.000 0.211 1338 K C -0.986 175.489 176.600 -0.209 0.000 1.210 1338 K CA 0.095 56.312 56.287 -0.117 0.000 1.003 1338 K CB 0.853 33.343 32.500 -0.017 0.000 1.009 1338 K HN -0.081 nan 8.250 nan 0.000 0.577 1339 F N 0.837 120.835 119.950 0.080 0.000 2.556 1339 F HA 0.348 4.875 4.527 0.000 0.000 0.314 1339 F C -0.603 175.249 175.800 0.087 0.000 1.106 1339 F CA -1.178 56.903 58.000 0.135 0.000 0.911 1339 F CB 1.832 40.935 39.000 0.170 0.000 1.190 1339 F HN -0.222 nan 8.300 nan 0.000 0.448 1340 D N 3.504 124.079 120.400 0.292 0.000 2.175 1340 D HA 0.573 5.214 4.640 0.000 0.000 0.248 1340 D C -0.887 175.533 176.300 0.200 0.000 1.047 1340 D CA -0.026 54.089 54.000 0.192 0.000 0.883 1340 D CB 2.045 42.922 40.800 0.129 0.000 1.180 1340 D HN 0.351 nan 8.370 nan 0.000 0.438 1341 L N 1.919 123.223 121.223 0.135 0.000 2.580 1341 L HA 0.307 4.647 4.340 0.000 0.000 0.266 1341 L C -1.192 175.721 176.870 0.071 0.000 0.955 1341 L CA -0.663 54.236 54.840 0.099 0.000 0.886 1341 L CB 1.789 43.896 42.059 0.079 0.000 1.263 1341 L HN 0.281 nan 8.230 nan 0.000 0.406 1342 K N 4.322 124.755 120.400 0.055 0.000 2.413 1342 K HA 0.697 5.018 4.320 0.000 0.000 0.257 1342 K C -1.798 174.809 176.600 0.011 0.000 0.946 1342 K CA -0.486 55.824 56.287 0.039 0.000 0.823 1342 K CB 1.914 34.436 32.500 0.036 0.000 1.109 1342 K HN 0.321 nan 8.250 nan 0.000 0.427 1343 V N 3.224 123.145 119.914 0.012 0.000 2.513 1343 V HA 0.518 4.639 4.120 0.000 0.000 0.299 1343 V C -0.510 175.561 176.094 -0.038 0.000 1.035 1343 V CA -0.655 61.626 62.300 -0.030 0.000 0.889 1343 V CB 1.825 33.656 31.823 0.013 0.000 0.988 1343 V HN 0.918 nan 8.190 nan 0.000 0.440 1344 T N 5.126 119.606 114.554 -0.123 0.000 2.916 1344 T HA 0.684 5.035 4.350 0.000 0.000 0.298 1344 T C -1.056 173.523 174.700 -0.203 0.000 1.031 1344 T CA -0.246 61.786 62.100 -0.113 0.000 0.993 1344 T CB 1.838 70.649 68.868 -0.094 0.000 1.045 1344 T HN 0.568 nan 8.240 nan 0.000 0.454 1345 I N 2.681 123.164 120.570 -0.145 0.000 2.478 1345 I HA 0.592 4.762 4.170 0.000 0.000 0.287 1345 I C -1.339 174.707 176.117 -0.119 0.000 1.042 1345 I CA -0.291 60.898 61.300 -0.186 0.000 1.067 1345 I CB 1.084 38.983 38.000 -0.168 0.000 1.233 1345 I HN 0.444 nan 8.210 nan 0.000 0.431 1346 K N 7.366 127.690 120.400 -0.127 0.000 2.464 1346 K HA 0.574 4.894 4.320 0.000 0.000 0.253 1346 K C -2.707 173.850 176.600 -0.072 0.000 0.933 1346 K CA -1.781 54.455 56.287 -0.085 0.000 0.801 1346 K CB 2.068 34.521 32.500 -0.078 0.000 1.271 1346 K HN 0.241 nan 8.250 nan 0.000 0.430 1347 P HA 0.020 nan 4.420 nan 0.000 0.266 1347 P C -0.961 176.319 177.300 -0.033 0.000 1.215 1347 P CA -0.076 63.008 63.100 -0.028 0.000 0.763 1347 P CB 0.732 32.421 31.700 -0.018 0.000 0.806 1348 A N 6.669 129.471 122.820 -0.031 0.000 2.406 1348 A HA 0.416 4.736 4.320 0.000 0.000 0.243 1348 A C -1.829 175.744 177.584 -0.019 0.000 1.082 1348 A CA -1.123 50.896 52.037 -0.029 0.000 0.786 1348 A CB -1.161 17.824 19.000 -0.024 0.000 1.029 1348 A HN 0.432 nan 8.150 nan 0.000 0.495 1349 P HA 0.055 nan 4.420 nan 0.000 0.266 1349 P C -0.258 177.035 177.300 -0.012 0.000 1.193 1349 P CA 0.291 63.382 63.100 -0.014 0.000 0.770 1349 P CB 0.403 32.096 31.700 -0.012 0.000 0.836 1350 E N 0.150 120.342 120.200 -0.014 0.000 2.427 1350 E HA -0.049 4.301 4.350 0.000 0.000 0.196 1350 E C 0.664 177.253 176.600 -0.018 0.000 1.028 1350 E CA 0.976 57.366 56.400 -0.017 0.000 0.864 1350 E CB -0.444 29.245 29.700 -0.019 0.000 0.813 1350 E HN 0.467 nan 8.360 nan 0.000 0.514 1351 T N 0.133 114.678 114.554 -0.014 0.000 3.251 1351 T HA 0.104 4.454 4.350 0.000 0.000 0.259 1351 T C 0.954 175.649 174.700 -0.008 0.000 0.998 1351 T CA -0.117 61.975 62.100 -0.013 0.000 0.905 1351 T CB 0.175 69.036 68.868 -0.011 0.000 1.067 1351 T HN 0.001 nan 8.240 nan 0.000 0.569 1352 E N 2.388 122.584 120.200 -0.006 0.000 2.274 1352 E HA 0.016 4.366 4.350 0.000 0.000 0.194 1352 E C -0.131 176.470 176.600 0.003 0.000 0.996 1352 E CA 0.429 56.831 56.400 0.003 0.000 0.840 1352 E CB -0.277 29.430 29.700 0.012 0.000 0.772 1352 E HN 0.432 nan 8.360 nan 0.000 0.491 1353 K N 0.998 121.390 120.400 -0.013 0.000 6.281 1353 K HA -0.176 4.144 4.320 0.000 0.000 0.629 1353 K C -0.571 176.004 176.600 -0.042 0.000 1.517 1353 K CA 0.538 56.809 56.287 -0.027 0.000 1.607 1353 K CB -1.158 31.333 32.500 -0.015 0.000 1.837 1353 K HN 0.236 nan 8.250 nan 0.000 0.354 1354 R N 1.614 122.053 120.500 -0.101 0.000 2.607 1354 R HA 0.561 4.901 4.340 0.000 0.000 0.261 1354 R C -2.119 174.024 176.300 -0.262 0.000 1.051 1354 R CA -1.734 54.215 56.100 -0.253 0.000 1.110 1354 R CB 0.072 30.150 30.300 -0.370 0.000 1.158 1354 R HN 0.069 nan 8.270 nan 0.000 0.543 1355 P HA -0.094 nan 4.420 nan 0.000 0.270 1355 P C 0.013 177.228 177.300 -0.142 0.000 1.216 1355 P CA -0.020 62.969 63.100 -0.184 0.000 0.788 1355 P CB 0.523 32.148 31.700 -0.124 0.000 0.883 1356 Q N -0.127 119.634 119.800 -0.065 0.000 2.224 1356 Q HA -0.146 4.194 4.340 0.000 0.000 0.203 1356 Q C 0.983 176.950 176.000 -0.054 0.000 0.970 1356 Q CA 1.272 57.041 55.803 -0.055 0.000 0.865 1356 Q CB 0.055 28.775 28.738 -0.030 0.000 0.922 1356 Q HN 0.369 nan 8.270 nan 0.000 0.445 1357 D N -0.133 120.258 120.400 -0.015 0.000 2.271 1357 D HA 0.069 4.710 4.640 0.000 0.000 0.206 1357 D C -0.074 176.181 176.300 -0.076 0.000 0.967 1357 D CA 0.358 54.361 54.000 0.005 0.000 0.867 1357 D CB 0.066 40.922 40.800 0.093 0.000 0.960 1357 D HN 0.195 nan 8.370 nan 0.000 0.509 1358 A N 1.095 123.781 122.820 -0.223 0.000 2.522 1358 A HA 0.009 4.329 4.320 0.000 0.000 0.256 1358 A C 1.219 178.601 177.584 -0.336 0.000 1.086 1358 A CA 0.113 51.818 52.037 -0.552 0.000 0.763 1358 A CB 0.432 18.956 19.000 -0.794 0.000 1.024 1358 A HN -0.146 nan 8.150 nan 0.000 0.502 1359 K N 0.914 121.127 120.400 -0.312 0.000 2.167 1359 K HA -0.011 4.310 4.320 0.000 0.000 0.203 1359 K C 0.395 176.892 176.600 -0.171 0.000 1.052 1359 K CA 1.492 57.659 56.287 -0.200 0.000 0.956 1359 K CB 0.044 32.443 32.500 -0.167 0.000 0.735 1359 K HN 0.889 nan 8.250 nan 0.000 0.451 1360 N N -1.400 117.177 118.700 -0.204 0.000 2.555 1360 N HA 0.093 4.833 4.740 0.000 0.000 0.265 1360 N C -1.918 173.552 175.510 -0.066 0.000 1.135 1360 N CA -0.469 52.511 53.050 -0.116 0.000 0.925 1360 N CB 1.682 40.117 38.487 -0.085 0.000 1.662 1360 N HN -0.118 nan 8.380 nan 0.000 0.489 1361 T N 2.870 117.439 114.554 0.025 0.000 2.856 1361 T HA 0.719 5.069 4.350 0.000 0.000 0.283 1361 T C -0.967 173.770 174.700 0.062 0.000 1.008 1361 T CA -0.446 61.724 62.100 0.117 0.000 0.997 1361 T CB 0.482 69.485 68.868 0.225 0.000 0.992 1361 T HN 0.465 nan 8.240 nan 0.000 0.454 1362 M N 3.897 123.523 119.600 0.043 0.000 2.550 1362 M HA 0.519 4.999 4.480 0.000 0.000 0.292 1362 M C -1.145 175.075 176.300 -0.132 0.000 1.221 1362 M CA -0.882 54.407 55.300 -0.019 0.000 0.873 1362 M CB 2.502 35.118 32.600 0.027 0.000 1.727 1362 M HN 0.493 nan 8.290 nan 0.000 0.459 1363 I N 2.705 123.174 120.570 -0.168 0.000 2.321 1363 I HA 0.330 4.501 4.170 0.000 0.000 0.291 1363 I C -0.995 174.911 176.117 -0.350 0.000 0.998 1363 I CA -0.766 60.386 61.300 -0.247 0.000 1.227 1363 I CB 1.507 39.395 38.000 -0.187 0.000 1.368 1363 I HN 0.391 nan 8.210 nan 0.000 0.466 1364 L N 7.422 128.314 121.223 -0.551 0.000 2.294 1364 L HA 0.446 4.787 4.340 0.000 0.000 0.283 1364 L C -0.368 176.077 176.870 -0.710 0.000 1.015 1364 L CA -0.031 54.385 54.840 -0.707 0.000 0.831 1364 L CB 1.241 42.713 42.059 -0.979 0.000 1.217 1364 L HN 0.564 nan 8.230 nan 0.000 0.420 1365 E N 5.091 125.018 120.200 -0.455 0.000 2.151 1365 E HA 0.511 4.861 4.350 0.000 0.000 0.275 1365 E C -1.222 175.231 176.600 -0.246 0.000 0.936 1365 E CA -0.469 55.737 56.400 -0.323 0.000 0.777 1365 E CB 1.072 30.643 29.700 -0.214 0.000 1.108 1365 E HN 0.686 nan 8.360 nan 0.000 0.401 1366 I N 4.163 124.624 120.570 -0.182 0.000 2.441 1366 I HA 0.374 4.544 4.170 0.000 0.000 0.295 1366 I C -0.790 175.310 176.117 -0.029 0.000 0.994 1366 I CA -0.913 60.333 61.300 -0.090 0.000 1.144 1366 I CB 1.632 39.605 38.000 -0.045 0.000 1.314 1366 I HN 0.571 nan 8.210 nan 0.000 0.445 1367 c N 3.908 122.511 118.600 0.005 0.000 2.432 1367 c HA 0.647 5.217 4.570 0.000 0.000 0.334 1367 c C 0.162 174.300 174.090 0.080 0.000 1.155 1367 c CA -0.446 55.911 56.329 0.047 0.000 1.335 1367 c CB 1.361 43.895 42.510 0.042 0.000 1.964 1367 c HN 0.798 nan 8.230 nan 0.000 0.444 1368 T N 3.541 118.165 114.554 0.117 0.000 2.909 1368 T HA 0.779 5.129 4.350 0.000 0.000 0.299 1368 T C -1.284 173.541 174.700 0.208 0.000 1.073 1368 T CA -0.479 61.722 62.100 0.169 0.000 0.999 1368 T CB 1.367 70.336 68.868 0.168 0.000 1.098 1368 T HN 0.896 nan 8.240 nan 0.000 0.477 1369 R N 3.041 123.694 120.500 0.256 0.000 2.566 1369 R HA 0.370 4.710 4.340 0.000 0.000 0.271 1369 R C -2.098 174.335 176.300 0.222 0.000 1.071 1369 R CA -0.685 55.545 56.100 0.217 0.000 0.915 1369 R CB 1.432 31.812 30.300 0.134 0.000 1.228 1369 R HN 0.676 nan 8.270 nan 0.000 0.449 1370 Y N 3.105 123.392 120.300 -0.021 0.000 2.299 1370 Y HA 0.316 4.866 4.550 0.000 0.000 0.326 1370 Y C 0.471 176.279 175.900 -0.153 0.000 1.164 1370 Y CA -0.486 57.444 58.100 -0.282 0.000 1.234 1370 Y CB 1.131 39.430 38.460 -0.269 0.000 1.219 1370 Y HN 0.526 nan 8.280 nan 0.000 0.497 1371 R N 3.872 123.940 120.500 -0.719 0.000 2.568 1371 R HA 0.235 4.575 4.340 0.000 0.000 0.288 1371 R C 0.221 176.140 176.300 -0.635 0.000 1.077 1371 R CA 0.157 55.962 56.100 -0.492 0.000 1.102 1371 R CB -0.034 30.068 30.300 -0.329 0.000 1.278 1371 R HN 0.794 nan 8.270 nan 0.000 0.560 1372 G N 0.325 108.568 108.800 -0.928 0.000 2.491 1372 G HA2 0.091 4.051 3.960 0.000 0.000 0.327 1372 G HA3 0.091 4.051 3.960 0.000 0.000 0.327 1372 G C 0.438 175.129 174.900 -0.348 0.000 1.189 1372 G CA -0.536 44.206 45.100 -0.597 0.000 0.956 1372 G HN 0.109 nan 8.290 nan 0.000 0.491 1373 D N -1.070 119.147 120.400 -0.304 0.000 2.355 1373 D HA -0.020 4.620 4.640 0.000 0.000 0.218 1373 D C 0.532 176.447 176.300 -0.643 0.000 1.004 1373 D CA 0.696 54.475 54.000 -0.367 0.000 0.880 1373 D CB 0.592 41.276 40.800 -0.193 0.000 0.911 1373 D HN 0.372 nan 8.370 nan 0.000 0.528 1374 Q N 0.373 119.878 119.800 -0.491 0.000 2.421 1374 Q HA 0.244 4.584 4.340 0.000 0.000 0.280 1374 Q C -1.473 174.498 176.000 -0.049 0.000 1.085 1374 Q CA -0.916 54.663 55.803 -0.374 0.000 0.807 1374 Q CB 2.144 30.796 28.738 -0.144 0.000 1.405 1374 Q HN -0.116 nan 8.270 nan 0.000 0.419 1375 D N 1.301 121.791 120.400 0.149 0.000 2.525 1375 D HA 0.159 4.799 4.640 0.000 0.000 0.235 1375 D C -0.427 175.830 176.300 -0.073 0.000 1.137 1375 D CA 0.471 54.575 54.000 0.173 0.000 0.868 1375 D CB 0.510 41.389 40.800 0.132 0.000 1.180 1375 D HN 0.516 nan 8.370 nan 0.000 0.465 1376 A N 2.229 124.823 122.820 -0.377 0.000 2.401 1376 A HA 0.443 4.763 4.320 0.000 0.000 0.259 1376 A C 1.150 178.601 177.584 -0.223 0.000 1.103 1376 A CA -0.349 51.292 52.037 -0.660 0.000 0.789 1376 A CB 0.181 18.453 19.000 -1.213 0.000 1.035 1376 A HN 0.651 nan 8.150 nan 0.000 0.491 1377 T N 0.643 115.110 114.554 -0.145 0.000 5.079 1377 T HA 0.257 4.607 4.350 0.000 0.000 0.289 1377 T C 0.945 175.653 174.700 0.014 0.000 0.923 1377 T CA -0.382 61.691 62.100 -0.046 0.000 1.458 1377 T CB -0.108 68.729 68.868 -0.052 0.000 1.841 1377 T HN 0.478 nan 8.240 nan 0.000 0.357 1378 M N 2.641 122.283 119.600 0.070 0.000 2.501 1378 M HA 0.156 4.636 4.480 0.000 0.000 0.363 1378 M C -0.664 175.645 176.300 0.015 0.000 1.708 1378 M CA 0.707 56.053 55.300 0.077 0.000 1.078 1378 M CB -1.033 31.636 32.600 0.115 0.000 2.107 1378 M HN 0.653 nan 8.290 nan 0.000 0.466 1379 S N 4.736 120.423 115.700 -0.021 0.000 2.627 1379 S HA 0.779 5.250 4.470 0.000 0.000 0.283 1379 S C -0.670 173.786 174.600 -0.240 0.000 1.127 1379 S CA -0.741 57.364 58.200 -0.158 0.000 0.863 1379 S CB 2.387 65.543 63.200 -0.074 0.000 1.121 1379 S HN 0.648 nan 8.310 nan 0.000 0.479 1380 I N 1.668 121.931 120.570 -0.512 0.000 2.582 1380 I HA 0.352 4.522 4.170 0.000 0.000 0.292 1380 I C -1.614 174.295 176.117 -0.347 0.000 1.066 1380 I CA -0.736 60.279 61.300 -0.475 0.000 1.053 1380 I CB 1.740 39.344 38.000 -0.661 0.000 1.241 1380 I HN 0.310 nan 8.210 nan 0.000 0.421 1381 L N 5.055 126.163 121.223 -0.192 0.000 2.260 1381 L HA 0.289 4.629 4.340 0.000 0.000 0.289 1381 L C -0.243 176.592 176.870 -0.058 0.000 1.057 1381 L CA -0.017 54.766 54.840 -0.096 0.000 0.811 1381 L CB 0.458 42.489 42.059 -0.047 0.000 1.184 1381 L HN 0.408 nan 8.230 nan 0.000 0.429 1382 D N 4.348 124.752 120.400 0.006 0.000 2.485 1382 D HA 0.333 4.973 4.640 0.000 0.000 0.221 1382 D C -0.525 175.782 176.300 0.012 0.000 1.112 1382 D CA -0.154 53.859 54.000 0.021 0.000 0.911 1382 D CB 0.224 41.064 40.800 0.067 0.000 1.019 1382 D HN 0.331 nan 8.370 nan 0.000 0.516 1383 I N 2.907 123.494 120.570 0.028 0.000 2.306 1383 I HA 0.174 4.344 4.170 0.000 0.000 0.288 1383 I C 0.270 176.434 176.117 0.078 0.000 1.036 1383 I CA -0.752 60.594 61.300 0.076 0.000 1.221 1383 I CB 1.197 39.272 38.000 0.124 0.000 1.385 1383 I HN 0.287 nan 8.210 nan 0.000 0.472 1384 S N 6.994 122.737 115.700 0.072 0.000 2.416 1384 S HA 0.448 4.918 4.470 0.000 0.000 0.287 1384 S C 0.234 174.901 174.600 0.112 0.000 1.139 1384 S CA -0.984 57.251 58.200 0.058 0.000 1.058 1384 S CB 0.746 63.962 63.200 0.027 0.000 0.967 1384 S HN 0.385 nan 8.310 nan 0.000 0.495 1385 M N 3.136 122.808 119.600 0.122 0.000 2.228 1385 M HA 0.175 4.655 4.480 0.000 0.000 0.303 1385 M C 0.867 177.249 176.300 0.137 0.000 1.099 1385 M CA 0.401 55.811 55.300 0.183 0.000 1.171 1385 M CB -0.436 32.280 32.600 0.194 0.000 1.412 1385 M HN 0.736 nan 8.290 nan 0.000 0.447 1386 M N 0.589 120.272 119.600 0.139 0.000 1.738 1386 M HA 0.084 4.564 4.480 0.000 0.000 0.184 1386 M C 0.747 177.227 176.300 0.299 0.000 1.265 1386 M CA 0.088 55.477 55.300 0.148 0.000 0.834 1386 M CB -0.025 32.627 32.600 0.086 0.000 1.163 1386 M HN 0.745 nan 8.290 nan 0.000 0.436 1387 T N -1.470 113.276 114.554 0.319 0.000 2.806 1387 T HA 0.502 4.852 4.350 0.000 0.000 0.290 1387 T C 0.814 175.715 174.700 0.336 0.000 0.966 1387 T CA 0.049 62.320 62.100 0.285 0.000 1.060 1387 T CB 0.981 69.960 68.868 0.185 0.000 0.927 1387 T HN 0.920 nan 8.240 nan 0.000 0.485 1388 G N 2.711 111.723 108.800 0.355 0.000 2.304 1388 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 1388 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 1388 G C -0.011 175.060 174.900 0.286 0.000 1.014 1388 G CA -0.001 45.362 45.100 0.438 0.000 0.619 1388 G HN 0.728 nan 8.290 nan 0.000 0.525 1389 F N 1.825 121.931 119.950 0.260 0.000 2.410 1389 F HA 0.601 5.128 4.527 0.000 0.000 0.334 1389 F C 0.794 176.752 175.800 0.262 0.000 1.134 1389 F CA 0.705 58.838 58.000 0.222 0.000 1.227 1389 F CB 1.550 40.648 39.000 0.163 0.000 1.194 1389 F HN 0.541 nan 8.300 nan 0.000 0.571 1390 A N 3.499 126.619 122.820 0.500 0.000 2.547 1390 A HA 0.638 4.958 4.320 0.000 0.000 0.297 1390 A C -2.960 174.820 177.584 0.326 0.000 1.056 1390 A CA -1.587 50.688 52.037 0.395 0.000 0.688 1390 A CB 1.500 20.744 19.000 0.408 0.000 1.282 1390 A HN 0.349 nan 8.150 nan 0.000 0.400 1391 P HA 0.132 nan 4.420 nan 0.000 0.279 1391 P C -0.867 176.476 177.300 0.072 0.000 1.239 1391 P CA -0.013 63.173 63.100 0.144 0.000 0.789 1391 P CB 0.805 32.550 31.700 0.075 0.000 0.933 1392 D N 2.325 122.726 120.400 0.003 0.000 2.349 1392 D HA -0.001 4.640 4.640 0.000 0.000 0.266 1392 D C 0.819 177.065 176.300 -0.090 0.000 1.293 1392 D CA 0.370 54.371 54.000 0.001 0.000 0.926 1392 D CB 0.550 41.311 40.800 -0.065 0.000 1.090 1392 D HN 0.277 nan 8.370 nan 0.000 0.502 1393 T N 1.402 115.915 114.554 -0.069 0.000 3.035 1393 T HA -0.120 4.231 4.350 0.000 0.000 0.268 1393 T C 1.148 175.759 174.700 -0.149 0.000 1.109 1393 T CA 0.379 62.365 62.100 -0.190 0.000 1.119 1393 T CB 0.226 69.075 68.868 -0.032 0.000 0.900 1393 T HN 0.293 nan 8.240 nan 0.000 0.503 1394 D N 1.813 122.182 120.400 -0.052 0.000 2.084 1394 D HA -0.074 4.566 4.640 0.000 0.000 0.196 1394 D C 1.983 178.246 176.300 -0.061 0.000 0.985 1394 D CA 1.016 55.001 54.000 -0.025 0.000 0.826 1394 D CB -0.374 40.435 40.800 0.016 0.000 0.978 1394 D HN 0.256 nan 8.370 nan 0.000 0.456 1395 D N 0.032 120.384 120.400 -0.080 0.000 2.117 1395 D HA -0.079 4.561 4.640 0.000 0.000 0.197 1395 D C 2.355 178.561 176.300 -0.157 0.000 0.987 1395 D CA 0.393 54.341 54.000 -0.086 0.000 0.829 1395 D CB -0.270 40.500 40.800 -0.050 0.000 0.961 1395 D HN 0.215 nan 8.370 nan 0.000 0.460 1396 L N 0.584 121.614 121.223 -0.322 0.000 2.046 1396 L HA -0.172 4.168 4.340 0.000 0.000 0.208 1396 L C 2.438 179.171 176.870 -0.228 0.000 1.077 1396 L CA 1.164 55.713 54.840 -0.484 0.000 0.747 1396 L CB -0.306 41.105 42.059 -1.080 0.000 0.896 1396 L HN -0.040 nan 8.230 nan 0.000 0.432 1397 K N -0.183 120.134 120.400 -0.139 0.000 2.001 1397 K HA -0.307 4.013 4.320 0.000 0.000 0.214 1397 K C 2.189 178.826 176.600 0.062 0.000 1.050 1397 K CA 1.977 58.325 56.287 0.102 0.000 0.934 1397 K CB -0.275 32.280 32.500 0.093 0.000 0.718 1397 K HN 0.281 nan 8.250 nan 0.000 0.443 1398 Q N 0.815 120.628 119.800 0.022 0.000 2.152 1398 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 1398 Q C 1.996 178.044 176.000 0.079 0.000 0.985 1398 Q CA 1.455 57.286 55.803 0.046 0.000 0.863 1398 Q CB -0.068 28.687 28.738 0.028 0.000 0.904 1398 Q HN 0.335 nan 8.270 nan 0.000 0.422 1399 L N -0.590 120.664 121.223 0.052 0.000 2.217 1399 L HA -0.078 4.263 4.340 0.000 0.000 0.211 1399 L C 2.250 179.183 176.870 0.105 0.000 1.107 1399 L CA 0.925 55.832 54.840 0.111 0.000 0.783 1399 L CB -0.213 41.853 42.059 0.012 0.000 0.919 1399 L HN 0.230 nan 8.230 nan 0.000 0.442 1400 A N -0.385 122.481 122.820 0.076 0.000 2.085 1400 A HA 0.038 4.359 4.320 0.000 0.000 0.208 1400 A C 1.536 179.135 177.584 0.024 0.000 1.191 1400 A CA 0.500 52.565 52.037 0.046 0.000 0.799 1400 A CB -0.172 18.879 19.000 0.085 0.000 0.877 1400 A HN 0.456 nan 8.150 nan 0.000 0.473 1401 N N -0.348 118.380 118.700 0.047 0.000 2.184 1401 N HA 0.239 4.979 4.740 0.000 0.000 0.206 1401 N C 0.793 176.327 175.510 0.039 0.000 1.151 1401 N CA 0.210 53.281 53.050 0.035 0.000 0.878 1401 N CB 0.616 39.130 38.487 0.045 0.000 1.014 1401 N HN 0.353 nan 8.380 nan 0.000 0.512 1402 G N 0.271 109.102 108.800 0.052 0.000 2.491 1402 G HA2 0.164 4.124 3.960 0.000 0.000 0.242 1402 G HA3 0.164 4.124 3.960 0.000 0.000 0.242 1402 G C 1.161 176.075 174.900 0.024 0.000 1.266 1402 G CA -0.499 44.644 45.100 0.071 0.000 0.844 1402 G HN -0.007 nan 8.290 nan 0.000 0.571 1403 V N 1.708 121.654 119.914 0.053 0.000 2.594 1403 V HA -0.154 3.966 4.120 0.000 0.000 0.253 1403 V C 2.307 178.321 176.094 -0.133 0.000 1.069 1403 V CA 2.182 64.476 62.300 -0.010 0.000 1.082 1403 V CB -0.688 31.163 31.823 0.047 0.000 0.680 1403 V HN 0.733 nan 8.190 nan 0.000 0.469 1404 D N 0.399 120.687 120.400 -0.187 0.000 2.077 1404 D HA -0.119 4.522 4.640 0.000 0.000 0.197 1404 D C 1.210 177.299 176.300 -0.353 0.000 0.983 1404 D CA 0.696 54.489 54.000 -0.344 0.000 0.841 1404 D CB -0.308 40.255 40.800 -0.396 0.000 0.992 1404 D HN 0.397 nan 8.370 nan 0.000 0.450 1405 R N -1.025 119.261 120.500 -0.357 0.000 1.449 1405 R HA -0.193 4.148 4.340 0.000 0.000 0.409 1405 R C -1.094 174.999 176.300 -0.346 0.000 1.293 1405 R CA 0.024 55.986 56.100 -0.229 0.000 1.031 1405 R CB -1.395 28.837 30.300 -0.113 0.000 3.144 1405 R HN 0.311 nan 8.270 nan 0.000 0.495 1406 Y N 4.111 124.420 120.300 0.016 0.000 2.481 1406 Y HA 0.472 5.022 4.550 0.000 0.000 0.247 1406 Y C 0.909 176.825 175.900 0.027 0.000 1.151 1406 Y CA -0.007 58.110 58.100 0.029 0.000 1.238 1406 Y CB 0.846 39.221 38.460 -0.142 0.000 1.179 1406 Y HN 0.360 nan 8.280 nan 0.000 0.524 1407 I N -1.549 119.077 120.570 0.094 0.000 2.913 1407 I HA 0.153 4.323 4.170 0.000 0.000 0.302 1407 I C 0.331 176.391 176.117 -0.096 0.000 1.246 1407 I CA -0.267 61.046 61.300 0.022 0.000 1.010 1407 I CB 2.431 40.451 38.000 0.033 0.000 1.259 1407 I HN -0.258 nan 8.210 nan 0.000 0.434 1408 S N 2.259 117.823 115.700 -0.227 0.000 2.456 1408 S HA 0.143 4.614 4.470 0.000 0.000 0.224 1408 S C -0.100 174.134 174.600 -0.611 0.000 1.035 1408 S CA 0.290 58.109 58.200 -0.636 0.000 0.940 1408 S CB 0.147 62.608 63.200 -1.230 0.000 0.799 1408 S HN 0.670 nan 8.310 nan 0.000 0.508 1409 K N -0.079 120.182 120.400 -0.233 0.000 2.870 1409 K HA 0.263 4.583 4.320 0.000 0.000 0.290 1409 K C -1.924 174.784 176.600 0.181 0.000 1.070 1409 K CA -1.073 55.193 56.287 -0.036 0.000 0.843 1409 K CB 0.410 32.861 32.500 -0.081 0.000 1.475 1409 K HN 0.146 nan 8.250 nan 0.000 0.359 1410 Y N -0.638 119.700 120.300 0.062 0.000 2.446 1410 Y HA 0.607 5.158 4.550 0.000 0.000 0.338 1410 Y C 0.661 176.620 175.900 0.099 0.000 1.055 1410 Y CA -0.790 57.331 58.100 0.036 0.000 1.101 1410 Y CB 2.112 40.520 38.460 -0.088 0.000 1.221 1410 Y HN 0.915 nan 8.280 nan 0.000 0.460 1411 E N 2.094 122.394 120.200 0.167 0.000 2.134 1411 E HA 0.196 4.546 4.350 0.000 0.000 0.194 1411 E C 0.139 176.810 176.600 0.118 0.000 0.937 1411 E CA 0.596 57.069 56.400 0.120 0.000 0.874 1411 E CB 0.153 29.941 29.700 0.146 0.000 0.853 1411 E HN 0.814 nan 8.360 nan 0.000 0.471 1412 L N 1.897 123.204 121.223 0.141 0.000 3.601 1412 L HA -0.190 4.150 4.340 0.000 0.000 0.469 1412 L C -1.340 175.571 176.870 0.067 0.000 1.294 1412 L CA 0.293 55.202 54.840 0.114 0.000 0.829 1412 L CB -0.521 41.648 42.059 0.182 0.000 1.628 1412 L HN 0.271 nan 8.230 nan 0.000 0.868 1413 D N 2.313 122.739 120.400 0.044 0.000 2.381 1413 D HA 0.178 4.818 4.640 0.000 0.000 0.235 1413 D C 0.180 176.481 176.300 0.002 0.000 1.068 1413 D CA -0.520 53.495 54.000 0.025 0.000 0.832 1413 D CB 0.972 41.792 40.800 0.034 0.000 1.101 1413 D HN 0.243 nan 8.370 nan 0.000 0.515 1414 K N 3.263 123.664 120.400 0.000 0.000 2.307 1414 K HA 0.328 4.649 4.320 0.000 0.000 0.240 1414 K C 1.093 177.691 176.600 -0.004 0.000 1.214 1414 K CA -0.423 55.876 56.287 0.020 0.000 1.149 1414 K CB 0.459 33.019 32.500 0.099 0.000 1.668 1414 K HN 0.313 nan 8.250 nan 0.000 0.314 1415 A N 2.683 125.480 122.820 -0.037 0.000 1.887 1415 A HA -0.195 4.125 4.320 0.000 0.000 0.225 1415 A C 0.389 177.827 177.584 -0.244 0.000 1.464 1415 A CA 1.493 53.461 52.037 -0.116 0.000 0.717 1415 A CB -0.485 18.522 19.000 0.012 0.000 0.848 1415 A HN 0.696 nan 8.150 nan 0.000 0.477 1416 F N -3.236 116.804 119.950 0.151 0.000 2.725 1416 F HA 0.390 4.917 4.527 0.000 0.000 0.311 1416 F C 0.383 176.317 175.800 0.223 0.000 1.121 1416 F CA -0.062 58.048 58.000 0.184 0.000 0.978 1416 F CB 1.291 40.365 39.000 0.124 0.000 1.274 1416 F HN 0.674 nan 8.300 nan 0.000 0.440 1417 S N 1.350 117.386 115.700 0.560 0.000 3.639 1417 S HA -0.217 4.253 4.470 0.000 0.000 0.692 1417 S C -0.615 174.213 174.600 0.380 0.000 2.071 1417 S CA 0.085 58.515 58.200 0.384 0.000 2.168 1417 S CB -0.633 62.693 63.200 0.209 0.000 0.330 1417 S HN 0.997 nan 8.310 nan 0.000 1.393 1418 D N 0.481 121.063 120.400 0.303 0.000 2.697 1418 D HA -0.173 4.467 4.640 0.000 0.000 0.238 1418 D C 0.373 176.804 176.300 0.219 0.000 1.152 1418 D CA 1.957 56.099 54.000 0.236 0.000 0.666 1418 D CB -0.877 40.038 40.800 0.192 0.000 1.037 1418 D HN 0.949 nan 8.370 nan 0.000 0.423 1419 R N -0.028 120.654 120.500 0.302 0.000 1.094 1419 R HA -0.181 4.159 4.340 0.000 0.000 0.425 1419 R C 0.155 176.308 176.300 -0.245 0.000 1.354 1419 R CA 0.721 56.880 56.100 0.098 0.000 1.170 1419 R CB -0.056 30.297 30.300 0.088 0.000 3.409 1419 R HN 0.487 nan 8.270 nan 0.000 0.505 1420 N N 2.682 120.939 118.700 -0.738 0.000 2.497 1420 N HA 0.117 4.857 4.740 0.000 0.000 0.271 1420 N C -0.581 174.790 175.510 -0.233 0.000 1.142 1420 N CA 0.478 53.087 53.050 -0.736 0.000 0.965 1420 N CB 1.259 39.187 38.487 -0.932 0.000 1.077 1420 N HN 0.577 nan 8.380 nan 0.000 0.462 1421 T N -0.136 114.340 114.554 -0.131 0.000 2.945 1421 T HA 0.547 4.898 4.350 0.000 0.000 0.286 1421 T C -0.129 174.568 174.700 -0.005 0.000 1.025 1421 T CA -1.029 61.050 62.100 -0.035 0.000 1.039 1421 T CB 1.494 70.353 68.868 -0.014 0.000 1.068 1421 T HN 0.482 nan 8.240 nan 0.000 0.497 1422 L N 2.032 123.266 121.223 0.018 0.000 2.349 1422 L HA 0.696 5.037 4.340 0.000 0.000 0.278 1422 L C -1.391 175.474 176.870 -0.008 0.000 0.996 1422 L CA -0.870 53.980 54.840 0.017 0.000 0.825 1422 L CB 0.968 43.034 42.059 0.012 0.000 1.243 1422 L HN 0.758 nan 8.230 nan 0.000 0.412 1423 I N 6.252 126.807 120.570 -0.024 0.000 2.354 1423 I HA 0.414 4.584 4.170 0.000 0.000 0.292 1423 I C -0.454 175.567 176.117 -0.160 0.000 0.989 1423 I CA -0.243 60.987 61.300 -0.116 0.000 1.188 1423 I CB 1.433 39.334 38.000 -0.165 0.000 1.342 1423 I HN 0.502 nan 8.210 nan 0.000 0.457 1424 I N 6.623 127.079 120.570 -0.189 0.000 2.362 1424 I HA 0.294 4.464 4.170 0.000 0.000 0.289 1424 I C -0.868 175.134 176.117 -0.192 0.000 0.994 1424 I CA -0.687 60.537 61.300 -0.127 0.000 1.158 1424 I CB 1.070 39.023 38.000 -0.077 0.000 1.315 1424 I HN 0.395 nan 8.210 nan 0.000 0.451 1425 Y N 6.480 126.782 120.300 0.003 0.000 2.316 1425 Y HA 0.491 5.042 4.550 0.000 0.000 0.331 1425 Y C 0.049 175.925 175.900 -0.040 0.000 1.083 1425 Y CA -0.337 57.773 58.100 0.018 0.000 1.206 1425 Y CB 0.826 39.369 38.460 0.139 0.000 1.195 1425 Y HN 0.298 nan 8.280 nan 0.000 0.497 1426 L N 2.854 124.153 121.223 0.126 0.000 2.362 1426 L HA 0.346 4.686 4.340 0.000 0.000 0.271 1426 L C 0.035 176.973 176.870 0.113 0.000 1.002 1426 L CA -0.770 54.117 54.840 0.078 0.000 0.818 1426 L CB 1.999 44.089 42.059 0.053 0.000 1.298 1426 L HN 0.601 nan 8.230 nan 0.000 0.420 1427 D N 1.057 121.513 120.400 0.093 0.000 2.183 1427 D HA -0.048 4.592 4.640 0.000 0.000 0.203 1427 D C -0.130 176.214 176.300 0.074 0.000 0.969 1427 D CA 1.428 55.496 54.000 0.114 0.000 0.842 1427 D CB 0.293 41.149 40.800 0.092 0.000 0.957 1427 D HN 0.460 nan 8.370 nan 0.000 0.484 1428 K N -2.139 118.299 120.400 0.064 0.000 2.579 1428 K HA 0.623 4.944 4.320 0.000 0.000 0.284 1428 K C -1.605 175.039 176.600 0.073 0.000 0.990 1428 K CA -0.947 55.367 56.287 0.044 0.000 0.880 1428 K CB 1.891 34.410 32.500 0.031 0.000 1.488 1428 K HN -0.276 nan 8.250 nan 0.000 0.425 1429 V N 0.812 120.768 119.914 0.069 0.000 2.482 1429 V HA 0.419 4.539 4.120 0.000 0.000 0.295 1429 V C -0.445 175.731 176.094 0.137 0.000 1.026 1429 V CA -0.857 61.526 62.300 0.139 0.000 0.856 1429 V CB 1.554 33.535 31.823 0.264 0.000 1.001 1429 V HN 0.855 nan 8.190 nan 0.000 0.424 1430 S N 2.334 118.112 115.700 0.130 0.000 2.552 1430 S HA 0.040 4.511 4.470 0.000 0.000 0.289 1430 S C 1.166 175.850 174.600 0.139 0.000 1.304 1430 S CA 0.336 58.592 58.200 0.095 0.000 1.063 1430 S CB 0.121 63.340 63.200 0.032 0.000 0.848 1430 S HN 1.041 nan 8.310 nan 0.000 0.499 1431 H N 2.033 121.161 119.070 0.098 0.000 2.553 1431 H HA 0.340 4.897 4.556 0.000 0.000 0.265 1431 H C 1.559 176.909 175.328 0.037 0.000 0.964 1431 H CA 0.788 56.885 56.048 0.081 0.000 1.156 1431 H CB -0.005 29.807 29.762 0.083 0.000 1.411 1431 H HN 0.419 nan 8.280 nan 0.000 0.558 1432 S N -0.190 115.215 115.700 -0.493 0.000 2.377 1432 S HA -0.000 4.470 4.470 0.000 0.000 0.223 1432 S C 0.147 174.674 174.600 -0.122 0.000 1.030 1432 S CA 1.062 59.048 58.200 -0.355 0.000 0.970 1432 S CB -0.045 62.956 63.200 -0.332 0.000 0.830 1432 S HN 0.769 nan 8.310 nan 0.000 0.473 1433 E N -0.009 120.156 120.200 -0.060 0.000 2.430 1433 E HA 0.398 4.748 4.350 0.000 0.000 0.279 1433 E C -2.003 174.630 176.600 0.056 0.000 1.003 1433 E CA -0.974 55.428 56.400 0.004 0.000 0.801 1433 E CB 0.234 29.935 29.700 0.003 0.000 1.313 1433 E HN -0.185 nan 8.360 nan 0.000 0.459 1434 D N 0.875 121.320 120.400 0.076 0.000 2.472 1434 D HA 0.052 4.692 4.640 0.000 0.000 0.237 1434 D C -0.620 175.769 176.300 0.148 0.000 1.141 1434 D CA 0.597 54.662 54.000 0.110 0.000 0.875 1434 D CB 0.514 41.373 40.800 0.097 0.000 1.192 1434 D HN 0.312 nan 8.370 nan 0.000 0.450 1435 D N 1.698 122.200 120.400 0.171 0.000 2.505 1435 D HA 0.150 4.791 4.640 0.000 0.000 0.242 1435 D C -0.453 175.964 176.300 0.194 0.000 1.136 1435 D CA -0.331 53.802 54.000 0.221 0.000 0.954 1435 D CB 0.047 40.977 40.800 0.217 0.000 1.002 1435 D HN 0.191 nan 8.370 nan 0.000 0.512 1436 c N 2.436 121.159 118.600 0.205 0.000 2.593 1436 c HA 0.573 5.143 4.570 0.000 0.000 0.409 1436 c C 0.124 174.191 174.090 -0.037 0.000 1.304 1436 c CA -0.634 55.753 56.329 0.096 0.000 2.007 1436 c CB -1.177 41.405 42.510 0.119 0.000 2.614 1436 c HN 0.450 nan 8.230 nan 0.000 0.585 1437 L N 2.124 123.289 121.223 -0.096 0.000 2.455 1437 L HA 0.983 5.323 4.340 0.000 0.000 0.264 1437 L C -0.376 176.402 176.870 -0.152 0.000 0.968 1437 L CA -0.569 54.143 54.840 -0.215 0.000 0.827 1437 L CB 1.123 43.111 42.059 -0.118 0.000 1.317 1437 L HN 0.649 nan 8.230 nan 0.000 0.407 1438 A N 2.117 124.803 122.820 -0.224 0.000 2.386 1438 A HA 1.035 5.355 4.320 0.000 0.000 0.308 1438 A C -1.101 176.441 177.584 -0.069 0.000 1.128 1438 A CA -0.528 51.373 52.037 -0.227 0.000 0.789 1438 A CB 1.495 20.328 19.000 -0.280 0.000 1.325 1438 A HN 1.245 nan 8.150 nan 0.000 0.437 1439 F N -1.974 117.835 119.950 -0.235 0.000 2.719 1439 F HA 0.698 5.225 4.527 0.000 0.000 0.309 1439 F C -0.869 174.799 175.800 -0.220 0.000 1.138 1439 F CA -1.143 56.724 58.000 -0.223 0.000 0.943 1439 F CB 1.013 39.882 39.000 -0.218 0.000 1.304 1439 F HN 0.451 nan 8.300 nan 0.000 0.445 1440 K N 1.709 122.086 120.400 -0.039 0.000 2.298 1440 K HA 0.614 4.934 4.320 0.000 0.000 0.280 1440 K C -0.851 175.641 176.600 -0.180 0.000 1.032 1440 K CA -0.372 55.804 56.287 -0.186 0.000 0.958 1440 K CB 1.265 33.631 32.500 -0.224 0.000 0.978 1440 K HN 0.734 nan 8.250 nan 0.000 0.472 1441 V N 1.014 120.788 119.914 -0.234 0.000 2.628 1441 V HA 0.526 4.647 4.120 0.000 0.000 0.306 1441 V C -0.663 175.355 176.094 -0.126 0.000 1.045 1441 V CA -0.831 61.408 62.300 -0.102 0.000 0.905 1441 V CB 1.610 33.451 31.823 0.030 0.000 0.997 1441 V HN 0.677 nan 8.190 nan 0.000 0.436 1442 H N 2.829 121.966 119.070 0.112 0.000 2.499 1442 H HA 0.521 5.077 4.556 0.000 0.000 0.340 1442 H C -0.874 174.228 175.328 -0.376 0.000 1.148 1442 H CA -0.462 55.468 56.048 -0.198 0.000 1.215 1442 H CB 2.257 31.721 29.762 -0.497 0.000 1.529 1442 H HN 0.831 nan 8.280 nan 0.000 0.510 1443 Q N 2.596 122.071 119.800 -0.542 0.000 2.425 1443 Q HA 0.142 4.483 4.340 0.000 0.000 0.254 1443 Q C -0.428 175.201 176.000 -0.619 0.000 1.032 1443 Q CA -0.481 54.797 55.803 -0.876 0.000 0.798 1443 Q CB 0.367 28.415 28.738 -1.150 0.000 1.210 1443 Q HN 0.642 nan 8.270 nan 0.000 0.491 1444 Y N 2.381 122.447 120.300 -0.389 0.000 2.544 1444 Y HA 0.101 4.651 4.550 0.000 0.000 0.286 1444 Y C -0.251 175.126 175.900 -0.871 0.000 1.141 1444 Y CA 0.514 58.277 58.100 -0.562 0.000 1.299 1444 Y CB 0.588 38.683 38.460 -0.609 0.000 1.030 1444 Y HN 0.408 nan 8.280 nan 0.000 0.543 1445 F N 0.174 120.107 119.950 -0.029 0.000 2.551 1445 F HA 0.323 4.851 4.527 0.001 0.000 0.316 1445 F C -0.519 175.213 175.800 -0.113 0.000 1.089 1445 F CA -1.851 56.118 58.000 -0.050 0.000 0.915 1445 F CB 0.887 39.879 39.000 -0.012 0.000 1.186 1445 F HN -0.164 nan 8.300 nan 0.000 0.456 1446 N N 1.330 120.079 118.700 0.081 0.000 2.470 1446 N HA 0.516 5.257 4.740 0.000 0.000 0.268 1446 N C -1.189 174.352 175.510 0.051 0.000 1.136 1446 N CA -0.386 52.677 53.050 0.021 0.000 0.961 1446 N CB 1.197 39.683 38.487 -0.002 0.000 1.067 1446 N HN 0.336 nan 8.380 nan 0.000 0.468 1447 V N 0.116 120.056 119.914 0.042 0.000 2.876 1447 V HA 0.492 4.612 4.120 0.000 0.000 0.312 1447 V C -0.458 175.665 176.094 0.048 0.000 1.085 1447 V CA -0.838 61.492 62.300 0.051 0.000 0.945 1447 V CB 1.897 33.767 31.823 0.077 0.000 1.017 1447 V HN 0.588 nan 8.190 nan 0.000 0.428 1448 E N 2.118 122.339 120.200 0.035 0.000 2.199 1448 E HA 0.805 5.155 4.350 0.000 0.000 0.269 1448 E C -0.621 175.998 176.600 0.033 0.000 0.899 1448 E CA -0.639 55.781 56.400 0.033 0.000 0.772 1448 E CB 1.476 31.188 29.700 0.019 0.000 1.155 1448 E HN 0.543 nan 8.360 nan 0.000 0.408 1449 L N 1.936 123.186 121.223 0.045 0.000 3.783 1449 L HA -0.196 4.145 4.340 0.000 0.000 0.409 1449 L C -0.320 176.582 176.870 0.053 0.000 1.223 1449 L CA 0.721 55.584 54.840 0.039 0.000 0.888 1449 L CB -2.163 39.894 42.059 -0.004 0.000 2.018 1449 L HN 0.614 nan 8.230 nan 0.000 0.780 1450 I N -1.993 118.638 120.570 0.101 0.000 2.634 1450 I HA 0.343 4.514 4.170 0.000 0.000 0.284 1450 I C 0.978 177.176 176.117 0.135 0.000 1.124 1450 I CA -0.523 60.844 61.300 0.113 0.000 1.417 1450 I CB 0.415 38.506 38.000 0.150 0.000 1.396 1450 I HN 0.063 nan 8.210 nan 0.000 0.571 1451 Q N 5.076 124.915 119.800 0.065 0.000 2.299 1451 Q HA 0.401 4.741 4.340 0.000 0.000 0.246 1451 Q C -2.301 173.724 176.000 0.043 0.000 0.935 1451 Q CA -1.989 53.825 55.803 0.018 0.000 0.887 1451 Q CB 0.188 28.912 28.738 -0.023 0.000 1.223 1451 Q HN 0.464 nan 8.270 nan 0.000 0.439 1452 P HA -0.009 nan 4.420 nan 0.000 0.264 1452 P C -0.030 177.179 177.300 -0.152 0.000 1.183 1452 P CA 0.324 63.394 63.100 -0.050 0.000 0.763 1452 P CB 0.353 32.052 31.700 -0.002 0.000 0.807 1453 G N 2.175 110.623 108.800 -0.588 0.000 2.467 1453 G HA2 0.492 4.452 3.960 0.000 0.000 0.257 1453 G HA3 0.492 4.452 3.960 0.000 0.000 0.257 1453 G C -0.526 174.065 174.900 -0.515 0.000 1.227 1453 G CA -0.243 44.494 45.100 -0.605 0.000 0.835 1453 G HN 0.613 nan 8.290 nan 0.000 0.556 1454 A N 0.480 123.190 122.820 -0.182 0.000 2.306 1454 A HA 0.772 5.092 4.320 0.000 0.000 0.330 1454 A C -0.541 176.983 177.584 -0.100 0.000 1.146 1454 A CA -0.506 51.338 52.037 -0.321 0.000 0.827 1454 A CB 1.697 20.427 19.000 -0.450 0.000 1.178 1454 A HN 0.941 nan 8.150 nan 0.000 0.490 1455 V N 1.201 121.015 119.914 -0.166 0.000 2.709 1455 V HA 0.579 4.699 4.120 0.000 0.000 0.308 1455 V C -0.331 175.687 176.094 -0.126 0.000 1.062 1455 V CA -0.637 61.627 62.300 -0.061 0.000 0.901 1455 V CB 1.883 33.713 31.823 0.012 0.000 1.003 1455 V HN 0.963 nan 8.190 nan 0.000 0.425 1456 K N 3.449 123.805 120.400 -0.073 0.000 2.507 1456 K HA 0.726 5.046 4.320 0.000 0.000 0.252 1456 K C -0.882 175.716 176.600 -0.003 0.000 0.943 1456 K CA -0.552 55.701 56.287 -0.056 0.000 0.808 1456 K CB 2.013 34.469 32.500 -0.073 0.000 1.142 1456 K HN 0.643 nan 8.250 nan 0.000 0.426 1457 V N 1.701 121.566 119.914 -0.082 0.000 2.743 1457 V HA 0.788 4.909 4.120 0.000 0.000 0.301 1457 V C -0.929 175.020 176.094 -0.243 0.000 1.057 1457 V CA -0.282 61.866 62.300 -0.253 0.000 1.006 1457 V CB 0.393 31.936 31.823 -0.466 0.000 1.024 1457 V HN 0.855 nan 8.190 nan 0.000 0.473 1458 Y N 0.454 120.391 120.300 -0.604 0.000 2.583 1458 Y HA 0.767 5.317 4.550 0.001 0.000 0.330 1458 Y C -0.404 175.337 175.900 -0.265 0.000 1.185 1458 Y CA -0.958 56.864 58.100 -0.463 0.000 1.107 1458 Y CB 0.572 38.882 38.460 -0.251 0.000 1.344 1458 Y HN 1.063 nan 8.280 nan 0.000 0.463 1459 A N 2.547 125.403 122.820 0.059 0.000 2.454 1459 A HA 0.185 4.505 4.320 0.000 0.000 0.260 1459 A C 0.148 177.725 177.584 -0.011 0.000 1.106 1459 A CA -0.189 51.898 52.037 0.083 0.000 0.780 1459 A CB -0.283 18.874 19.000 0.261 0.000 1.044 1459 A HN 1.048 nan 8.150 nan 0.000 0.498 1460 Y N 2.362 122.483 120.300 -0.297 0.000 2.333 1460 Y HA -0.214 4.336 4.550 0.001 0.000 0.290 1460 Y C 0.927 176.515 175.900 -0.520 0.000 1.144 1460 Y CA 2.255 60.079 58.100 -0.460 0.000 1.228 1460 Y CB -0.049 37.995 38.460 -0.694 0.000 0.985 1460 Y HN 0.800 nan 8.280 nan 0.000 0.542 1461 Y N -2.151 118.188 120.300 0.066 0.000 2.445 1461 Y HA 0.222 4.772 4.550 0.000 0.000 0.247 1461 Y C 0.262 175.913 175.900 -0.416 0.000 1.129 1461 Y CA -0.354 57.664 58.100 -0.137 0.000 1.251 1461 Y CB 0.487 38.851 38.460 -0.161 0.000 1.176 1461 Y HN -0.101 nan 8.280 nan 0.000 0.522 1462 N N 0.549 119.203 118.700 -0.075 0.000 2.727 1462 N HA 0.169 4.909 4.740 0.000 0.000 0.252 1462 N C 0.068 175.634 175.510 0.092 0.000 1.283 1462 N CA -0.022 53.017 53.050 -0.017 0.000 0.782 1462 N CB 0.416 38.998 38.487 0.158 0.000 1.199 1462 N HN 0.009 nan 8.380 nan 0.000 0.520 1463 L N 1.328 122.553 121.223 0.002 0.000 2.265 1463 L HA -0.006 4.334 4.340 0.000 0.000 0.215 1463 L C 1.761 178.703 176.870 0.119 0.000 1.117 1463 L CA 1.268 56.077 54.840 -0.053 0.000 0.782 1463 L CB -0.554 41.167 42.059 -0.563 0.000 0.914 1463 L HN 0.487 nan 8.230 nan 0.000 0.441 1464 E N 0.279 120.607 120.200 0.212 0.000 2.273 1464 E HA -0.170 4.180 4.350 0.000 0.000 0.198 1464 E C 0.413 177.126 176.600 0.188 0.000 1.002 1464 E CA 0.744 57.263 56.400 0.198 0.000 0.828 1464 E CB -0.078 29.705 29.700 0.139 0.000 0.747 1464 E HN 0.606 nan 8.360 nan 0.000 0.491 1465 E N 0.180 120.527 120.200 0.246 0.000 2.113 1465 E HA 0.454 4.804 4.350 0.000 0.000 0.273 1465 E C -0.588 176.280 176.600 0.446 0.000 0.924 1465 E CA -0.528 56.080 56.400 0.346 0.000 0.764 1465 E CB 1.534 31.480 29.700 0.410 0.000 1.104 1465 E HN 0.028 nan 8.360 nan 0.000 0.406 1466 S N 1.724 117.654 115.700 0.384 0.000 2.661 1466 S HA 0.635 5.105 4.470 0.000 0.000 0.268 1466 S C -1.257 173.459 174.600 0.194 0.000 1.162 1466 S CA -0.944 57.382 58.200 0.209 0.000 0.817 1466 S CB 1.822 65.080 63.200 0.096 0.000 1.141 1466 S HN 0.758 nan 8.310 nan 0.000 0.477 1467 c N 1.301 119.943 118.600 0.070 0.000 3.046 1467 c HA 0.751 5.321 4.570 0.000 0.000 0.388 1467 c C -1.293 172.802 174.090 0.008 0.000 1.041 1467 c CA 0.112 56.490 56.329 0.081 0.000 1.241 1467 c CB 0.615 43.215 42.510 0.149 0.000 1.638 1467 c HN 0.995 nan 8.230 nan 0.000 0.539 1468 T N 5.213 119.768 114.554 0.002 0.000 2.815 1468 T HA 0.619 4.969 4.350 0.000 0.000 0.289 1468 T C -0.476 174.169 174.700 -0.092 0.000 1.000 1468 T CA -0.394 61.652 62.100 -0.089 0.000 0.958 1468 T CB 1.028 69.840 68.868 -0.093 0.000 0.944 1468 T HN 0.686 nan 8.240 nan 0.000 0.442 1469 R N 1.520 121.919 120.500 -0.168 0.000 2.803 1469 R HA 0.762 5.103 4.340 0.000 0.000 0.276 1469 R C -1.341 174.811 176.300 -0.246 0.000 0.978 1469 R CA -0.639 55.420 56.100 -0.067 0.000 0.939 1469 R CB 1.248 31.569 30.300 0.035 0.000 1.179 1469 R HN 0.462 nan 8.270 nan 0.000 0.472 1470 F N 1.933 121.916 119.950 0.056 0.000 2.492 1470 F HA 0.438 4.965 4.527 0.000 0.000 0.327 1470 F C -0.420 175.428 175.800 0.080 0.000 1.079 1470 F CA -0.699 57.312 58.000 0.019 0.000 0.967 1470 F CB 1.304 40.281 39.000 -0.038 0.000 1.169 1470 F HN 0.409 nan 8.300 nan 0.000 0.472 1471 Y N -0.073 120.323 120.300 0.160 0.000 2.485 1471 Y HA 0.725 5.275 4.550 0.001 0.000 0.345 1471 Y C -1.161 174.815 175.900 0.126 0.000 0.998 1471 Y CA -1.039 57.110 58.100 0.082 0.000 1.059 1471 Y CB 1.482 39.923 38.460 -0.031 0.000 1.234 1471 Y HN 0.712 nan 8.280 nan 0.000 0.461 1472 H N 3.765 122.899 119.070 0.108 0.000 3.087 1472 H HA 0.259 4.815 4.556 0.001 0.000 0.348 1472 H C -2.440 172.913 175.328 0.041 0.000 1.092 1472 H CA -1.760 54.299 56.048 0.019 0.000 1.285 1472 H CB 2.886 32.640 29.762 -0.013 0.000 1.875 1472 H HN 0.589 nan 8.280 nan 0.000 0.512 1473 P HA -0.113 nan 4.420 nan 0.000 0.203 1473 P C -0.703 176.520 177.300 -0.127 0.000 1.002 1473 P CA 1.142 64.097 63.100 -0.243 0.000 0.964 1473 P CB 0.390 31.915 31.700 -0.291 0.000 0.727 1474 E N -4.069 116.053 120.200 -0.129 0.000 2.972 1474 E HA 0.067 4.417 4.350 0.000 0.000 0.311 1474 E C -0.040 176.576 176.600 0.025 0.000 1.132 1474 E CA -0.381 56.024 56.400 0.007 0.000 0.912 1474 E CB 0.349 30.049 29.700 0.000 0.000 1.174 1474 E HN -0.213 nan 8.360 nan 0.000 0.462 1475 K N 1.349 121.789 120.400 0.068 0.000 1.984 1475 K HA 0.009 4.329 4.320 0.000 0.000 0.219 1475 K C -0.283 176.333 176.600 0.027 0.000 1.033 1475 K CA 1.080 57.401 56.287 0.056 0.000 0.983 1475 K CB -0.005 32.528 32.500 0.054 0.000 0.762 1475 K HN 0.686 nan 8.250 nan 0.000 0.445 1476 E N 1.170 121.383 120.200 0.022 0.000 2.309 1476 E HA -0.148 4.203 4.350 0.000 0.000 0.250 1476 E C -1.724 174.882 176.600 0.011 0.000 1.120 1476 E CA 0.248 56.656 56.400 0.013 0.000 0.730 1476 E CB -1.401 28.304 29.700 0.008 0.000 1.271 1476 E HN 0.498 nan 8.360 nan 0.000 0.396 1477 D N -1.352 119.055 120.400 0.012 0.000 4.288 1477 D HA -0.034 4.606 4.640 0.000 0.000 0.248 1477 D C 0.150 176.453 176.300 0.006 0.000 1.054 1477 D CA 2.184 56.188 54.000 0.008 0.000 1.179 1477 D CB -1.285 39.518 40.800 0.005 0.000 0.859 1477 D HN 1.002 nan 8.370 nan 0.000 0.402 1478 G N 1.467 110.272 108.800 0.007 0.000 3.313 1478 G HA2 -0.230 3.731 3.960 0.000 0.000 0.563 1478 G HA3 -0.230 3.731 3.960 0.000 0.000 0.563 1478 G C 0.023 174.927 174.900 0.007 0.000 1.037 1478 G CA -0.217 44.885 45.100 0.004 0.000 0.848 1478 G HN 0.492 nan 8.290 nan 0.000 0.416 1479 K N 0.544 120.949 120.400 0.009 0.000 2.382 1479 K HA 0.358 4.678 4.320 0.000 0.000 0.275 1479 K C 0.874 177.478 176.600 0.007 0.000 1.009 1479 K CA -0.086 56.209 56.287 0.014 0.000 0.970 1479 K CB 0.476 32.986 32.500 0.017 0.000 0.934 1479 K HN 0.522 nan 8.250 nan 0.000 0.479 1480 L N 0.636 121.865 121.223 0.009 0.000 2.325 1480 L HA 0.437 4.778 4.340 0.000 0.000 0.278 1480 L C 0.222 177.096 176.870 0.006 0.000 1.023 1480 L CA -0.784 54.059 54.840 0.005 0.000 0.811 1480 L CB 0.572 42.634 42.059 0.005 0.000 1.249 1480 L HN 0.399 nan 8.230 nan 0.000 0.431 1481 N N 1.783 120.484 118.700 0.002 0.000 2.531 1481 N HA 0.577 5.317 4.740 0.000 0.000 0.301 1481 N C -0.815 174.698 175.510 0.005 0.000 1.310 1481 N CA -0.549 52.503 53.050 0.003 0.000 0.949 1481 N CB 0.602 39.089 38.487 0.001 0.000 1.111 1481 N HN 0.765 nan 8.380 nan 0.000 0.565 1482 K N -0.418 119.985 120.400 0.005 0.000 2.372 1482 K HA 0.339 4.660 4.320 0.000 0.000 0.354 1482 K C -1.754 174.851 176.600 0.007 0.000 1.394 1482 K CA -0.251 56.040 56.287 0.006 0.000 1.138 1482 K CB -0.285 32.219 32.500 0.006 0.000 1.399 1482 K HN 0.304 nan 8.250 nan 0.000 0.480 1483 L N 1.435 122.663 121.223 0.008 0.000 2.391 1483 L HA 0.644 4.984 4.340 0.000 0.000 0.266 1483 L C 0.123 176.998 176.870 0.007 0.000 1.035 1483 L CA -0.714 54.130 54.840 0.007 0.000 0.877 1483 L CB 1.565 43.629 42.059 0.008 0.000 1.504 1483 L HN 0.978 nan 8.230 nan 0.000 0.503 1484 c N -1.384 117.220 118.600 0.006 0.000 2.750 1484 c HA 0.377 4.948 4.570 0.000 0.000 0.081 1484 c C 1.380 175.474 174.090 0.008 0.000 2.349 1484 c CA -0.113 56.220 56.329 0.006 0.000 1.391 1484 c CB 0.663 43.175 42.510 0.003 0.000 2.314 1484 c HN 0.975 nan 8.230 nan 0.000 0.422 1485 R N 1.141 121.645 120.500 0.006 0.000 4.070 1485 R HA -0.160 4.181 4.340 0.000 0.000 0.439 1485 R C -0.265 176.040 176.300 0.010 0.000 0.831 1485 R CA 2.320 58.424 56.100 0.007 0.000 1.684 1485 R CB -1.611 28.694 30.300 0.009 0.000 2.331 1485 R HN 0.825 nan 8.270 nan 0.000 0.477 1486 D N -2.974 117.432 120.400 0.011 0.000 2.921 1486 D HA 0.136 4.777 4.640 0.000 0.000 0.329 1486 D C 0.053 176.361 176.300 0.012 0.000 1.293 1486 D CA -0.020 53.988 54.000 0.013 0.000 0.964 1486 D CB 0.500 41.311 40.800 0.019 0.000 1.435 1486 D HN 0.075 nan 8.370 nan 0.000 0.548 1487 E N -0.034 120.174 120.200 0.013 0.000 2.204 1487 E HA -0.150 4.200 4.350 0.000 0.000 0.194 1487 E C 2.128 178.736 176.600 0.014 0.000 0.989 1487 E CA 0.565 56.972 56.400 0.011 0.000 0.824 1487 E CB 0.031 29.736 29.700 0.008 0.000 0.756 1487 E HN 0.259 nan 8.360 nan 0.000 0.477 1488 L N 0.747 121.979 121.223 0.015 0.000 2.043 1488 L HA -0.239 4.101 4.340 0.000 0.000 0.212 1488 L C 2.456 179.337 176.870 0.018 0.000 1.075 1488 L CA 2.114 56.964 54.840 0.017 0.000 0.752 1488 L CB -0.871 41.194 42.059 0.011 0.000 0.891 1488 L HN 0.321 nan 8.230 nan 0.000 0.432 1489 c N -0.176 118.433 118.600 0.015 0.000 2.457 1489 c HA -0.032 4.539 4.570 0.000 0.000 0.278 1489 c C 2.891 176.991 174.090 0.017 0.000 1.309 1489 c CA 0.589 56.927 56.329 0.014 0.000 1.735 1489 c CB -0.947 41.570 42.510 0.010 0.000 1.992 1489 c HN 0.579 nan 8.230 nan 0.000 0.493 1490 R N -0.438 120.072 120.500 0.016 0.000 2.235 1490 R HA -0.099 4.242 4.340 0.000 0.000 0.213 1490 R C 2.275 178.586 176.300 0.018 0.000 1.059 1490 R CA 1.312 57.423 56.100 0.018 0.000 0.997 1490 R CB -0.680 29.628 30.300 0.013 0.000 0.884 1490 R HN 0.724 nan 8.270 nan 0.000 0.462 1491 c N 0.376 118.987 118.600 0.018 0.000 2.453 1491 c HA -0.004 4.566 4.570 0.000 0.000 0.277 1491 c C 2.835 176.939 174.090 0.024 0.000 1.262 1491 c CA 1.109 57.450 56.329 0.020 0.000 1.718 1491 c CB -0.747 41.780 42.510 0.029 0.000 2.031 1491 c HN 0.545 nan 8.230 nan 0.000 0.480 1492 A N 0.025 122.861 122.820 0.026 0.000 1.898 1492 A HA -0.136 4.185 4.320 0.000 0.000 0.216 1492 A C 2.064 179.666 177.584 0.030 0.000 1.181 1492 A CA 1.750 53.803 52.037 0.026 0.000 0.620 1492 A CB -0.735 18.278 19.000 0.021 0.000 0.819 1492 A HN 0.781 nan 8.150 nan 0.000 0.442 1493 E N -0.626 119.597 120.200 0.038 0.000 2.274 1493 E HA -0.170 4.180 4.350 0.000 0.000 0.194 1493 E C 1.910 178.560 176.600 0.084 0.000 0.996 1493 E CA 0.745 57.185 56.400 0.067 0.000 0.840 1493 E CB -0.081 29.665 29.700 0.077 0.000 0.772 1493 E HN 0.794 nan 8.360 nan 0.000 0.491 1494 E N 1.425 121.647 120.200 0.037 0.000 2.160 1494 E HA -0.258 4.093 4.350 0.000 0.000 0.195 1494 E C 1.889 178.485 176.600 -0.007 0.000 0.991 1494 E CA 0.883 57.277 56.400 -0.009 0.000 0.810 1494 E CB -0.120 29.568 29.700 -0.019 0.000 0.742 1494 E HN 0.240 nan 8.360 nan 0.000 0.466 1495 N N -0.251 118.461 118.700 0.020 0.000 2.272 1495 N HA -0.128 4.612 4.740 0.000 0.000 0.185 1495 N C -0.185 175.349 175.510 0.040 0.000 1.014 1495 N CA 1.114 54.178 53.050 0.023 0.000 0.870 1495 N CB 0.065 38.568 38.487 0.026 0.000 0.975 1495 N HN 0.229 nan 8.380 nan 0.000 0.433 1496 c N -0.364 118.283 118.600 0.078 0.000 2.383 1496 c HA 0.686 5.256 4.570 0.000 0.000 0.330 1496 c C -0.586 173.662 174.090 0.264 0.000 1.168 1496 c CA -1.398 55.008 56.329 0.128 0.000 1.374 1496 c CB -1.102 41.477 42.510 0.115 0.000 2.014 1496 c HN 0.422 nan 8.230 nan 0.000 0.439 1497 F N 1.678 121.607 119.950 -0.034 0.000 2.173 1497 F HA -0.071 4.456 4.527 0.000 0.000 0.427 1497 F C -1.063 174.675 175.800 -0.104 0.000 1.297 1497 F CA -0.982 56.966 58.000 -0.088 0.000 1.326 1497 F CB -0.964 37.954 39.000 -0.137 0.000 3.553 1497 F HN 0.752 nan 8.300 nan 0.000 0.499 1498 I N 4.970 125.176 120.570 -0.606 0.000 2.680 1498 I HA -0.050 4.120 4.170 0.000 0.000 0.286 1498 I C 0.849 176.325 176.117 -1.069 0.000 1.144 1498 I CA 0.508 61.459 61.300 -0.582 0.000 1.370 1498 I CB 0.274 38.180 38.000 -0.158 0.000 1.420 1498 I HN 0.567 nan 8.210 nan 0.000 0.540 1499 Q N 6.577 125.895 119.800 -0.803 0.000 2.283 1499 Q HA -0.013 4.327 4.340 0.000 0.000 0.269 1499 Q C 0.785 176.547 176.000 -0.397 0.000 1.187 1499 Q CA 0.526 55.920 55.803 -0.681 0.000 0.922 1499 Q CB 0.512 29.052 28.738 -0.329 0.000 1.323 1499 Q HN 0.434 nan 8.270 nan 0.000 0.432 1500 K N 1.519 121.681 120.400 -0.396 0.000 1.964 1500 K HA -0.043 4.277 4.320 0.000 0.000 0.218 1500 K C 0.178 176.726 176.600 -0.088 0.000 1.043 1500 K CA 1.074 57.241 56.287 -0.200 0.000 0.966 1500 K CB -0.097 32.289 32.500 -0.190 0.000 0.739 1500 K HN 0.728 nan 8.250 nan 0.000 0.443 1501 S N -0.160 115.506 115.700 -0.057 0.000 3.667 1501 S HA -0.262 4.208 4.470 0.000 0.000 0.749 1501 S C 0.386 174.979 174.600 -0.012 0.000 1.786 1501 S CA 0.483 58.668 58.200 -0.025 0.000 1.763 1501 S CB -0.525 62.658 63.200 -0.029 0.000 0.356 1501 S HN 0.814 nan 8.310 nan 0.000 0.963 1502 D N 0.393 120.790 120.400 -0.005 0.000 2.628 1502 D HA -0.277 4.363 4.640 0.000 0.000 0.161 1502 D C 0.239 176.542 176.300 0.005 0.000 1.667 1502 D CA 2.430 56.431 54.000 0.002 0.000 1.663 1502 D CB -0.923 39.881 40.800 0.008 0.000 1.324 1502 D HN 0.932 nan 8.370 nan 0.000 0.418 1503 D N -0.574 119.828 120.400 0.003 0.000 2.911 1503 D HA -0.194 4.446 4.640 0.000 0.000 0.227 1503 D C 1.230 177.540 176.300 0.017 0.000 1.164 1503 D CA 1.330 55.333 54.000 0.005 0.000 0.782 1503 D CB -0.276 40.522 40.800 -0.002 0.000 1.094 1503 D HN 0.407 nan 8.370 nan 0.000 0.425 1504 K N -0.370 120.047 120.400 0.028 0.000 1.968 1504 K HA 0.028 4.349 4.320 0.000 0.000 0.215 1504 K C 0.900 177.534 176.600 0.056 0.000 1.040 1504 K CA 1.251 57.560 56.287 0.037 0.000 0.959 1504 K CB -0.394 32.130 32.500 0.039 0.000 0.740 1504 K HN 0.178 nan 8.250 nan 0.000 0.443 1505 V N 2.191 122.163 119.914 0.096 0.000 5.957 1505 V HA -0.214 3.907 4.120 0.000 0.000 0.225 1505 V C 0.419 176.572 176.094 0.097 0.000 0.661 1505 V CA 1.015 63.408 62.300 0.155 0.000 0.571 1505 V CB -2.654 29.277 31.823 0.180 0.000 0.361 1505 V HN 0.597 nan 8.190 nan 0.000 0.495 1506 T N -0.122 114.474 114.554 0.072 0.000 2.816 1506 T HA 0.574 4.924 4.350 0.000 0.000 0.282 1506 T C 1.152 175.876 174.700 0.039 0.000 0.993 1506 T CA -0.158 61.968 62.100 0.043 0.000 0.994 1506 T CB 1.982 70.869 68.868 0.032 0.000 1.025 1506 T HN 0.275 nan 8.240 nan 0.000 0.529 1507 L N 0.299 121.542 121.223 0.032 0.000 2.046 1507 L HA -0.098 4.242 4.340 0.000 0.000 0.208 1507 L C 2.221 179.128 176.870 0.062 0.000 1.077 1507 L CA 2.101 56.973 54.840 0.053 0.000 0.747 1507 L CB -1.131 40.959 42.059 0.050 0.000 0.896 1507 L HN 0.779 nan 8.230 nan 0.000 0.432 1508 E N 0.034 120.254 120.200 0.034 0.000 2.150 1508 E HA -0.227 4.124 4.350 0.000 0.000 0.193 1508 E C 2.030 178.641 176.600 0.017 0.000 0.985 1508 E CA 1.146 57.557 56.400 0.019 0.000 0.814 1508 E CB -0.034 29.670 29.700 0.006 0.000 0.752 1508 E HN 0.511 nan 8.360 nan 0.000 0.466 1509 E N 0.149 120.364 120.200 0.025 0.000 2.208 1509 E HA -0.050 4.300 4.350 0.000 0.000 0.193 1509 E C 1.850 178.445 176.600 -0.008 0.000 0.988 1509 E CA 0.446 56.862 56.400 0.026 0.000 0.828 1509 E CB 0.195 29.931 29.700 0.060 0.000 0.763 1509 E HN 0.094 nan 8.360 nan 0.000 0.478 1510 R N -0.124 120.364 120.500 -0.020 0.000 2.073 1510 R HA -0.053 4.288 4.340 0.000 0.000 0.229 1510 R C 2.321 178.625 176.300 0.007 0.000 1.120 1510 R CA 0.908 56.944 56.100 -0.107 0.000 0.967 1510 R CB -0.171 30.022 30.300 -0.178 0.000 0.862 1510 R HN 0.215 nan 8.270 nan 0.000 0.436 1511 L N 0.711 121.990 121.223 0.093 0.000 2.141 1511 L HA -0.174 4.166 4.340 0.000 0.000 0.209 1511 L C 1.630 178.446 176.870 -0.091 0.000 1.094 1511 L CA 0.949 55.796 54.840 0.012 0.000 0.763 1511 L CB -0.397 41.646 42.059 -0.027 0.000 0.908 1511 L HN 0.128 nan 8.230 nan 0.000 0.437 1512 D N 0.482 120.841 120.400 -0.069 0.000 2.117 1512 D HA -0.145 4.495 4.640 0.000 0.000 0.198 1512 D C 2.129 178.368 176.300 -0.101 0.000 0.982 1512 D CA 1.268 55.225 54.000 -0.072 0.000 0.828 1512 D CB 0.001 40.780 40.800 -0.035 0.000 0.967 1512 D HN 0.327 nan 8.370 nan 0.000 0.464 1513 K N 0.459 120.789 120.400 -0.118 0.000 2.243 1513 K HA 0.172 4.492 4.320 0.000 0.000 0.201 1513 K C 1.909 178.326 176.600 -0.306 0.000 1.051 1513 K CA 0.626 56.859 56.287 -0.091 0.000 0.970 1513 K CB 0.219 32.748 32.500 0.049 0.000 0.755 1513 K HN -0.028 nan 8.250 nan 0.000 0.465 1514 A N 0.233 122.678 122.820 -0.625 0.000 2.206 1514 A HA -0.062 4.259 4.320 0.000 0.000 0.211 1514 A C 1.678 178.931 177.584 -0.552 0.000 1.158 1514 A CA 0.654 52.066 52.037 -1.041 0.000 0.761 1514 A CB -0.405 17.987 19.000 -1.014 0.000 0.801 1514 A HN 0.344 nan 8.150 nan 0.000 0.473 1515 c N -0.214 118.187 118.600 -0.332 0.000 3.038 1515 c HA 0.249 4.819 4.570 0.000 0.000 0.279 1515 c C 0.843 174.841 174.090 -0.154 0.000 1.276 1515 c CA -0.530 55.669 56.329 -0.218 0.000 1.697 1515 c CB -1.240 41.171 42.510 -0.165 0.000 2.032 1515 c HN 0.662 nan 8.230 nan 0.000 0.636 1516 E N 2.753 122.863 120.200 -0.150 0.000 2.558 1516 E HA -0.021 4.329 4.350 0.000 0.000 0.255 1516 E C -1.058 175.494 176.600 -0.080 0.000 0.968 1516 E CA -1.098 55.249 56.400 -0.088 0.000 0.939 1516 E CB 0.643 30.311 29.700 -0.055 0.000 0.921 1516 E HN 0.218 nan 8.360 nan 0.000 0.477 1517 P HA -0.204 nan 4.420 nan 0.000 0.218 1517 P C 1.040 178.322 177.300 -0.029 0.000 1.146 1517 P CA 1.721 64.799 63.100 -0.037 0.000 0.820 1517 P CB 0.118 31.805 31.700 -0.021 0.000 0.778 1518 G N 0.011 108.795 108.800 -0.027 0.000 2.403 1518 G HA2 -0.094 3.866 3.960 0.000 0.000 0.216 1518 G HA3 -0.094 3.866 3.960 0.000 0.000 0.216 1518 G C 0.552 175.430 174.900 -0.037 0.000 1.154 1518 G CA -0.009 45.081 45.100 -0.016 0.000 0.784 1518 G HN 0.200 nan 8.290 nan 0.000 0.538 1519 V N 1.984 121.852 119.914 -0.077 0.000 2.452 1519 V HA 0.006 4.127 4.120 0.000 0.000 0.286 1519 V C 1.186 177.215 176.094 -0.108 0.000 0.995 1519 V CA 0.675 62.892 62.300 -0.139 0.000 1.116 1519 V CB 0.933 32.591 31.823 -0.274 0.000 0.954 1519 V HN 0.281 nan 8.190 nan 0.000 0.473 1520 D N 3.639 123.991 120.400 -0.080 0.000 2.369 1520 D HA 0.052 4.693 4.640 0.000 0.000 0.231 1520 D C 0.373 176.749 176.300 0.126 0.000 0.967 1520 D CA 0.724 54.762 54.000 0.063 0.000 0.905 1520 D CB 0.337 41.235 40.800 0.164 0.000 1.044 1520 D HN 0.637 nan 8.370 nan 0.000 0.487 1521 Y N -1.244 119.070 120.300 0.023 0.000 2.468 1521 Y HA 0.676 5.227 4.550 0.000 0.000 0.342 1521 Y C -1.097 174.737 175.900 -0.111 0.000 1.021 1521 Y CA -1.399 56.635 58.100 -0.111 0.000 1.079 1521 Y CB 1.632 39.930 38.460 -0.270 0.000 1.226 1521 Y HN -0.306 nan 8.280 nan 0.000 0.460 1522 V N 4.434 124.330 119.914 -0.031 0.000 2.445 1522 V HA 0.275 4.395 4.120 0.000 0.000 0.283 1522 V C -1.313 174.946 176.094 0.275 0.000 1.014 1522 V CA -0.806 61.587 62.300 0.156 0.000 0.852 1522 V CB -0.023 31.901 31.823 0.169 0.000 1.021 1522 V HN 0.700 nan 8.190 nan 0.000 0.435 1523 Y N 2.182 122.778 120.300 0.494 0.000 2.419 1523 Y HA 0.565 5.116 4.550 0.000 0.000 0.328 1523 Y C 0.475 176.561 175.900 0.309 0.000 1.162 1523 Y CA -1.703 56.607 58.100 0.349 0.000 1.174 1523 Y CB 1.371 40.012 38.460 0.302 0.000 1.228 1523 Y HN 0.374 nan 8.280 nan 0.000 0.473 1524 K N 2.635 123.255 120.400 0.367 0.000 2.334 1524 K HA 0.310 4.630 4.320 0.000 0.000 0.265 1524 K C -0.847 175.801 176.600 0.079 0.000 1.039 1524 K CA -0.212 56.175 56.287 0.166 0.000 0.920 1524 K CB 0.410 32.827 32.500 -0.138 0.000 1.160 1524 K HN 0.927 nan 8.250 nan 0.000 0.451 1525 T N 1.134 115.753 114.554 0.108 0.000 2.943 1525 T HA 0.450 4.801 4.350 0.000 0.000 0.284 1525 T C -0.125 174.582 174.700 0.011 0.000 1.015 1525 T CA -0.965 61.156 62.100 0.036 0.000 1.042 1525 T CB 1.811 70.663 68.868 -0.027 0.000 1.055 1525 T HN 0.594 nan 8.240 nan 0.000 0.500 1526 R N 1.921 122.385 120.500 -0.059 0.000 2.435 1526 R HA 0.418 4.758 4.340 0.000 0.000 0.308 1526 R C -1.140 175.093 176.300 -0.111 0.000 0.975 1526 R CA -0.955 55.020 56.100 -0.208 0.000 0.867 1526 R CB 0.860 30.950 30.300 -0.350 0.000 1.171 1526 R HN 0.604 nan 8.270 nan 0.000 0.470 1527 L N 6.436 127.644 121.223 -0.025 0.000 2.565 1527 L HA 0.041 4.382 4.340 0.000 0.000 0.275 1527 L C 0.370 177.245 176.870 0.008 0.000 1.137 1527 L CA 0.625 55.487 54.840 0.037 0.000 0.915 1527 L CB 0.938 43.075 42.059 0.130 0.000 1.232 1527 L HN 0.605 nan 8.230 nan 0.000 0.473 1528 V N 4.134 124.058 119.914 0.018 0.000 2.261 1528 V HA 0.016 4.136 4.120 0.000 0.000 0.235 1528 V C 1.138 177.254 176.094 0.037 0.000 1.044 1528 V CA 0.931 63.240 62.300 0.014 0.000 1.007 1528 V CB -0.410 31.423 31.823 0.017 0.000 0.647 1528 V HN 0.726 nan 8.190 nan 0.000 0.462 1529 K N -0.063 120.369 120.400 0.054 0.000 2.203 1529 K HA 0.594 4.915 4.320 0.000 0.000 0.251 1529 K C -1.649 174.997 176.600 0.077 0.000 0.944 1529 K CA -0.421 55.898 56.287 0.053 0.000 0.829 1529 K CB 2.188 34.710 32.500 0.036 0.000 1.125 1529 K HN 0.094 nan 8.250 nan 0.000 0.430 1530 V N 3.902 123.855 119.914 0.065 0.000 2.378 1530 V HA 0.238 4.358 4.120 0.000 0.000 0.288 1530 V C -0.702 175.377 176.094 -0.026 0.000 1.016 1530 V CA -0.626 61.702 62.300 0.046 0.000 0.840 1530 V CB 1.425 33.316 31.823 0.114 0.000 0.994 1530 V HN 0.757 nan 8.190 nan 0.000 0.431 1531 Q N 4.662 124.409 119.800 -0.088 0.000 2.721 1531 Q HA 0.406 4.746 4.340 0.000 0.000 0.257 1531 Q C -0.992 174.924 176.000 -0.140 0.000 1.070 1531 Q CA -0.717 55.036 55.803 -0.084 0.000 0.910 1531 Q CB 1.071 29.775 28.738 -0.055 0.000 1.163 1531 Q HN 0.731 nan 8.270 nan 0.000 0.501 1532 L N -1.119 120.020 121.223 -0.140 0.000 2.418 1532 L HA 0.388 4.729 4.340 0.000 0.000 0.274 1532 L C 0.423 177.231 176.870 -0.103 0.000 1.135 1532 L CA 0.200 54.949 54.840 -0.151 0.000 0.870 1532 L CB 0.597 42.590 42.059 -0.111 0.000 1.154 1532 L HN 0.130 nan 8.230 nan 0.000 0.462 1533 S N 1.153 116.789 115.700 -0.107 0.000 2.623 1533 S HA 0.413 4.883 4.470 0.000 0.000 0.287 1533 S C 1.127 175.644 174.600 -0.140 0.000 1.123 1533 S CA -0.038 58.100 58.200 -0.104 0.000 1.016 1533 S CB 0.785 63.932 63.200 -0.088 0.000 1.233 1533 S HN 0.919 nan 8.310 nan 0.000 0.512 1534 N N 0.903 119.481 118.700 -0.204 0.000 2.409 1534 N HA -0.002 4.739 4.740 0.000 0.000 0.174 1534 N C 0.768 176.105 175.510 -0.287 0.000 1.037 1534 N CA 1.140 53.998 53.050 -0.320 0.000 0.898 1534 N CB -0.285 37.808 38.487 -0.657 0.000 1.010 1534 N HN 0.638 nan 8.380 nan 0.000 0.445 1535 D N -1.097 119.166 120.400 -0.229 0.000 2.431 1535 D HA 0.051 4.692 4.640 0.000 0.000 0.235 1535 D C -0.456 175.595 176.300 -0.414 0.000 0.980 1535 D CA 0.242 54.090 54.000 -0.255 0.000 0.912 1535 D CB -0.132 40.596 40.800 -0.121 0.000 1.056 1535 D HN 0.165 nan 8.370 nan 0.000 0.494 1536 F N 0.952 120.820 119.950 -0.137 0.000 2.588 1536 F HA 0.325 4.852 4.527 0.001 0.000 0.310 1536 F C -0.564 175.143 175.800 -0.156 0.000 1.082 1536 F CA -1.111 56.815 58.000 -0.124 0.000 0.929 1536 F CB 2.094 41.024 39.000 -0.116 0.000 1.254 1536 F HN -0.322 nan 8.300 nan 0.000 0.455 1537 D N 2.211 122.615 120.400 0.006 0.000 2.198 1537 D HA 0.226 4.866 4.640 0.000 0.000 0.245 1537 D C -0.686 175.421 176.300 -0.322 0.000 1.079 1537 D CA -0.214 53.641 54.000 -0.241 0.000 0.854 1537 D CB 1.640 42.215 40.800 -0.376 0.000 1.148 1537 D HN 0.528 nan 8.370 nan 0.000 0.456 1538 E N 1.675 121.645 120.200 -0.384 0.000 2.129 1538 E HA 0.225 4.575 4.350 0.000 0.000 0.268 1538 E C -0.880 175.504 176.600 -0.361 0.000 0.900 1538 E CA -0.666 55.581 56.400 -0.256 0.000 0.755 1538 E CB 1.117 30.759 29.700 -0.097 0.000 1.117 1538 E HN 0.323 nan 8.360 nan 0.000 0.410 1539 Y N 2.358 122.711 120.300 0.087 0.000 2.369 1539 Y HA 0.349 4.899 4.550 0.000 0.000 0.337 1539 Y C 0.191 176.168 175.900 0.129 0.000 0.961 1539 Y CA -0.761 57.380 58.100 0.068 0.000 1.186 1539 Y CB 0.613 39.076 38.460 0.006 0.000 1.139 1539 Y HN 0.395 nan 8.280 nan 0.000 0.494 1540 I N 5.348 126.043 120.570 0.208 0.000 2.308 1540 I HA 0.193 4.364 4.170 0.000 0.000 0.293 1540 I C -0.355 175.856 176.117 0.157 0.000 1.078 1540 I CA 0.108 61.514 61.300 0.176 0.000 1.292 1540 I CB 0.188 38.248 38.000 0.101 0.000 1.423 1540 I HN 0.462 nan 8.210 nan 0.000 0.493 1541 M N 5.744 125.469 119.600 0.209 0.000 2.205 1541 M HA 0.505 4.985 4.480 0.000 0.000 0.344 1541 M C -0.101 176.250 176.300 0.084 0.000 1.085 1541 M CA -0.503 54.866 55.300 0.115 0.000 1.001 1541 M CB 1.758 34.377 32.600 0.032 0.000 1.626 1541 M HN 0.542 nan 8.290 nan 0.000 0.442 1542 A N 4.793 127.625 122.820 0.018 0.000 2.331 1542 A HA 0.618 4.938 4.320 0.000 0.000 0.283 1542 A C 0.002 177.565 177.584 -0.035 0.000 1.142 1542 A CA -0.634 51.397 52.037 -0.010 0.000 0.812 1542 A CB 0.367 19.354 19.000 -0.022 0.000 1.074 1542 A HN 0.740 nan 8.150 nan 0.000 0.497 1543 I N 2.701 123.233 120.570 -0.065 0.000 2.471 1543 I HA 0.116 4.286 4.170 0.000 0.000 0.286 1543 I C 0.819 176.903 176.117 -0.055 0.000 1.079 1543 I CA 0.334 61.574 61.300 -0.100 0.000 1.398 1543 I CB 0.474 38.349 38.000 -0.209 0.000 1.403 1543 I HN 0.782 nan 8.210 nan 0.000 0.530 1544 E N 4.886 125.064 120.200 -0.037 0.000 2.251 1544 E HA 0.039 4.389 4.350 0.000 0.000 0.194 1544 E C -0.010 176.573 176.600 -0.029 0.000 0.964 1544 E CA 0.502 56.880 56.400 -0.037 0.000 0.868 1544 E CB 0.625 30.290 29.700 -0.058 0.000 0.828 1544 E HN 0.748 nan 8.360 nan 0.000 0.481 1545 Q N -0.059 119.744 119.800 0.004 0.000 2.364 1545 Q HA 0.245 4.585 4.340 0.000 0.000 0.257 1545 Q C -0.908 175.184 176.000 0.154 0.000 0.956 1545 Q CA -0.523 55.311 55.803 0.051 0.000 0.924 1545 Q CB 0.659 29.414 28.738 0.028 0.000 1.413 1545 Q HN -0.101 nan 8.270 nan 0.000 0.418 1546 T N 0.281 114.943 114.554 0.179 0.000 2.855 1546 T HA 0.364 4.714 4.350 0.000 0.000 0.290 1546 T C 0.802 175.656 174.700 0.258 0.000 0.941 1546 T CA -0.449 61.846 62.100 0.325 0.000 1.030 1546 T CB -0.395 68.650 68.868 0.295 0.000 0.935 1546 T HN 0.665 nan 8.240 nan 0.000 0.564 1547 I N 1.275 122.012 120.570 0.279 0.000 2.830 1547 I HA 0.154 4.325 4.170 0.000 0.000 0.263 1547 I C 1.233 177.433 176.117 0.138 0.000 1.230 1547 I CA 0.636 62.052 61.300 0.193 0.000 1.480 1547 I CB -0.074 38.069 38.000 0.238 0.000 1.095 1547 I HN 0.582 nan 8.210 nan 0.000 0.455 1548 K N 0.659 121.165 120.400 0.176 0.000 2.610 1548 K HA 0.278 4.598 4.320 0.000 0.000 0.274 1548 K C -1.225 175.487 176.600 0.186 0.000 1.049 1548 K CA -0.216 56.146 56.287 0.125 0.000 0.945 1548 K CB 1.291 33.817 32.500 0.044 0.000 1.313 1548 K HN -0.157 nan 8.250 nan 0.000 0.463 1549 S N 1.371 117.201 115.700 0.217 0.000 2.616 1549 S HA 0.631 5.101 4.470 0.000 0.000 0.277 1549 S C 0.254 175.010 174.600 0.261 0.000 1.234 1549 S CA -0.448 57.931 58.200 0.298 0.000 1.028 1549 S CB 1.637 64.994 63.200 0.260 0.000 0.988 1549 S HN 0.723 nan 8.310 nan 0.000 0.522 1550 G N 0.682 109.692 108.800 0.350 0.000 2.828 1550 G HA2 0.389 4.350 3.960 0.000 0.000 0.244 1550 G HA3 0.389 4.350 3.960 0.000 0.000 0.244 1550 G C 1.049 176.085 174.900 0.228 0.000 1.365 1550 G CA -0.044 45.271 45.100 0.359 0.000 1.041 1550 G HN 0.723 nan 8.290 nan 0.000 0.560 1551 S N -1.148 114.677 115.700 0.208 0.000 2.440 1551 S HA -0.132 4.338 4.470 0.000 0.000 0.238 1551 S C 0.764 175.292 174.600 -0.121 0.000 1.010 1551 S CA 1.502 59.728 58.200 0.042 0.000 0.972 1551 S CB -0.200 63.035 63.200 0.058 0.000 0.774 1551 S HN 0.516 nan 8.310 nan 0.000 0.501 1552 D N 2.257 122.499 120.400 -0.264 0.000 2.411 1552 D HA 0.178 4.819 4.640 0.000 0.000 0.225 1552 D C -0.402 175.904 176.300 0.009 0.000 1.156 1552 D CA -0.284 53.552 54.000 -0.275 0.000 0.874 1552 D CB 0.373 40.814 40.800 -0.598 0.000 1.034 1552 D HN 0.132 nan 8.370 nan 0.000 0.502 1553 E N 2.125 122.328 120.200 0.006 0.000 2.360 1553 E HA 0.248 4.599 4.350 0.000 0.000 0.269 1553 E C -0.817 175.812 176.600 0.048 0.000 1.022 1553 E CA -0.292 56.142 56.400 0.056 0.000 0.887 1553 E CB 2.028 31.745 29.700 0.028 0.000 0.990 1553 E HN 0.265 nan 8.360 nan 0.000 0.426 1554 V N 3.492 123.449 119.914 0.071 0.000 2.686 1554 V HA 0.152 4.272 4.120 0.000 0.000 0.306 1554 V C -0.900 175.194 176.094 -0.000 0.000 1.065 1554 V CA -0.719 61.587 62.300 0.010 0.000 0.894 1554 V CB 2.256 34.042 31.823 -0.060 0.000 1.004 1554 V HN 0.599 nan 8.190 nan 0.000 0.424 1555 Q N 3.410 123.201 119.800 -0.015 0.000 2.293 1555 Q HA 0.491 4.831 4.340 0.000 0.000 0.251 1555 Q C -0.620 175.364 176.000 -0.026 0.000 0.930 1555 Q CA -0.085 55.712 55.803 -0.010 0.000 0.893 1555 Q CB 1.755 30.489 28.738 -0.008 0.000 1.215 1555 Q HN 0.690 nan 8.270 nan 0.000 0.425 1556 V N 4.365 124.271 119.914 -0.012 0.000 2.434 1556 V HA 0.294 4.415 4.120 0.000 0.000 0.281 1556 V C 1.264 177.346 176.094 -0.019 0.000 1.005 1556 V CA 1.725 64.014 62.300 -0.018 0.000 1.089 1556 V CB -0.202 31.619 31.823 -0.002 0.000 0.978 1556 V HN 1.040 nan 8.190 nan 0.000 0.474 1557 G N 3.657 112.440 108.800 -0.028 0.000 2.229 1557 G HA2 -0.146 3.815 3.960 0.000 0.000 0.189 1557 G HA3 -0.146 3.815 3.960 0.000 0.000 0.189 1557 G C 0.084 174.972 174.900 -0.021 0.000 1.000 1557 G CA -0.192 44.896 45.100 -0.020 0.000 0.663 1557 G HN 0.573 nan 8.290 nan 0.000 0.493 1558 Q N -0.080 119.701 119.800 -0.031 0.000 2.185 1558 Q HA 0.678 5.018 4.340 0.000 0.000 0.225 1558 Q C -0.009 175.975 176.000 -0.028 0.000 0.983 1558 Q CA -0.254 55.532 55.803 -0.027 0.000 0.950 1558 Q CB 0.824 29.543 28.738 -0.031 0.000 1.176 1558 Q HN 0.435 nan 8.270 nan 0.000 0.510 1559 Q N 0.560 120.355 119.800 -0.009 0.000 2.377 1559 Q HA 0.520 4.860 4.340 0.000 0.000 0.271 1559 Q C -0.992 175.027 176.000 0.031 0.000 1.077 1559 Q CA -0.829 54.983 55.803 0.016 0.000 0.820 1559 Q CB 1.906 30.662 28.738 0.029 0.000 1.347 1559 Q HN 0.194 nan 8.270 nan 0.000 0.444 1560 R N 0.984 121.529 120.500 0.074 0.000 2.628 1560 R HA 0.419 4.759 4.340 0.000 0.000 0.288 1560 R C -1.141 175.240 176.300 0.136 0.000 0.980 1560 R CA -0.604 55.538 56.100 0.071 0.000 0.891 1560 R CB 2.151 32.435 30.300 -0.026 0.000 1.188 1560 R HN 0.578 nan 8.270 nan 0.000 0.450 1561 T N 3.751 118.362 114.554 0.094 0.000 2.727 1561 T HA 0.379 4.730 4.350 0.000 0.000 0.298 1561 T C -0.174 174.600 174.700 0.122 0.000 0.942 1561 T CA -0.063 62.127 62.100 0.151 0.000 0.997 1561 T CB -0.078 68.852 68.868 0.103 0.000 0.917 1561 T HN 0.161 nan 8.240 nan 0.000 0.487 1562 F N 3.442 123.499 119.950 0.180 0.000 2.391 1562 F HA 0.454 4.982 4.527 0.001 0.000 0.359 1562 F C 0.569 176.495 175.800 0.210 0.000 1.122 1562 F CA -1.187 56.945 58.000 0.219 0.000 1.120 1562 F CB 0.367 39.474 39.000 0.179 0.000 1.142 1562 F HN 0.395 nan 8.300 nan 0.000 0.483 1563 I N 2.519 123.241 120.570 0.252 0.000 2.365 1563 I HA 0.340 4.510 4.170 0.000 0.000 0.291 1563 I C 0.183 176.434 176.117 0.223 0.000 1.004 1563 I CA -0.217 61.168 61.300 0.143 0.000 1.311 1563 I CB 1.488 39.442 38.000 -0.077 0.000 1.401 1563 I HN 0.457 nan 8.210 nan 0.000 0.491 1564 S N 6.578 122.442 115.700 0.273 0.000 2.536 1564 S HA 0.586 5.056 4.470 0.000 0.000 0.287 1564 S C -2.593 172.170 174.600 0.272 0.000 1.101 1564 S CA -1.582 56.788 58.200 0.283 0.000 0.950 1564 S CB 1.733 65.139 63.200 0.344 0.000 1.056 1564 S HN 0.190 nan 8.310 nan 0.000 0.481 1565 P HA 0.075 nan 4.420 nan 0.000 0.269 1565 P C 0.885 178.081 177.300 -0.174 0.000 1.211 1565 P CA -0.258 62.750 63.100 -0.153 0.000 0.781 1565 P CB 0.357 31.998 31.700 -0.098 0.000 0.877 1566 I N 1.941 122.312 120.570 -0.330 0.000 2.546 1566 I HA -0.162 4.008 4.170 0.000 0.000 0.255 1566 I C 1.557 177.603 176.117 -0.117 0.000 1.163 1566 I CA 1.505 62.684 61.300 -0.202 0.000 1.457 1566 I CB -0.361 37.491 38.000 -0.246 0.000 1.092 1566 I HN 0.397 nan 8.210 nan 0.000 0.434 1567 K N -0.841 119.489 120.400 -0.117 0.000 2.525 1567 K HA -0.026 4.295 4.320 0.000 0.000 0.192 1567 K C 1.304 177.883 176.600 -0.035 0.000 1.029 1567 K CA 0.555 56.803 56.287 -0.064 0.000 1.029 1567 K CB -0.360 32.105 32.500 -0.058 0.000 0.814 1567 K HN 0.187 nan 8.250 nan 0.000 0.503 1568 c N 0.295 118.877 118.600 -0.030 0.000 3.525 1568 c HA 0.337 4.907 4.570 0.000 0.000 0.289 1568 c C 2.035 176.105 174.090 -0.034 0.000 1.496 1568 c CA -0.777 55.540 56.329 -0.020 0.000 1.804 1568 c CB -0.700 41.816 42.510 0.010 0.000 2.708 1568 c HN 0.646 nan 8.230 nan 0.000 0.642 1569 R N 1.584 122.079 120.500 -0.009 0.000 2.073 1569 R HA -0.141 4.200 4.340 0.000 0.000 0.234 1569 R C 2.097 178.377 176.300 -0.033 0.000 1.134 1569 R CA 1.785 57.897 56.100 0.021 0.000 0.952 1569 R CB -0.190 30.124 30.300 0.024 0.000 0.850 1569 R HN 0.602 nan 8.270 nan 0.000 0.433 1570 E N -0.505 119.669 120.200 -0.044 0.000 2.106 1570 E HA -0.178 4.173 4.350 0.000 0.000 0.192 1570 E C 1.636 178.176 176.600 -0.100 0.000 0.984 1570 E CA 1.101 57.467 56.400 -0.056 0.000 0.806 1570 E CB 0.000 29.677 29.700 -0.039 0.000 0.750 1570 E HN 0.494 nan 8.360 nan 0.000 0.458 1571 A N 0.734 123.477 122.820 -0.128 0.000 1.897 1571 A HA -0.059 4.261 4.320 0.000 0.000 0.215 1571 A C 2.137 179.486 177.584 -0.391 0.000 1.181 1571 A CA 0.643 52.556 52.037 -0.207 0.000 0.620 1571 A CB -0.412 18.494 19.000 -0.157 0.000 0.821 1571 A HN 0.238 nan 8.150 nan 0.000 0.443 1572 L N -0.308 120.674 121.223 -0.403 0.000 2.156 1572 L HA -0.094 4.246 4.340 0.000 0.000 0.208 1572 L C 0.671 177.319 176.870 -0.371 0.000 1.095 1572 L CA 0.985 55.516 54.840 -0.515 0.000 0.770 1572 L CB -0.495 41.280 42.059 -0.475 0.000 0.914 1572 L HN 0.596 nan 8.230 nan 0.000 0.439 1573 K N 1.313 121.572 120.400 -0.234 0.000 4.444 1573 K HA -0.206 4.114 4.320 0.000 0.000 0.281 1573 K C -0.805 175.710 176.600 -0.141 0.000 0.817 1573 K CA 0.482 56.681 56.287 -0.147 0.000 0.793 1573 K CB -2.173 30.256 32.500 -0.120 0.000 1.784 1573 K HN 0.316 nan 8.250 nan 0.000 0.424 1574 L N 2.491 123.595 121.223 -0.198 0.000 2.270 1574 L HA 0.226 4.566 4.340 0.000 0.000 0.286 1574 L C 0.342 177.224 176.870 0.020 0.000 1.059 1574 L CA -0.613 54.113 54.840 -0.191 0.000 0.839 1574 L CB 0.686 42.339 42.059 -0.677 0.000 1.221 1574 L HN 0.324 nan 8.230 nan 0.000 0.431 1575 E N 2.766 123.037 120.200 0.118 0.000 2.338 1575 E HA 0.136 4.487 4.350 0.000 0.000 0.272 1575 E C -0.271 176.409 176.600 0.134 0.000 1.029 1575 E CA -0.467 55.992 56.400 0.098 0.000 0.872 1575 E CB 1.009 30.743 29.700 0.056 0.000 1.015 1575 E HN 0.427 nan 8.360 nan 0.000 0.417 1576 E N 2.068 122.327 120.200 0.098 0.000 2.467 1576 E HA -0.127 4.224 4.350 0.000 0.000 0.264 1576 E C -0.244 176.397 176.600 0.069 0.000 1.020 1576 E CA 0.556 57.008 56.400 0.088 0.000 0.945 1576 E CB 0.352 30.090 29.700 0.063 0.000 0.942 1576 E HN 0.420 nan 8.360 nan 0.000 0.449 1577 K N 0.874 121.299 120.400 0.042 0.000 3.069 1577 K HA -0.215 4.106 4.320 0.000 0.000 0.267 1577 K C -0.737 175.847 176.600 -0.027 0.000 1.082 1577 K CA 0.969 57.247 56.287 -0.015 0.000 0.782 1577 K CB -0.548 31.954 32.500 0.003 0.000 1.230 1577 K HN 0.339 nan 8.250 nan 0.000 0.488 1578 K N 0.128 120.533 120.400 0.007 0.000 2.281 1578 K HA 0.384 4.704 4.320 0.000 0.000 0.242 1578 K C -0.231 176.253 176.600 -0.194 0.000 0.971 1578 K CA -0.930 55.353 56.287 -0.005 0.000 0.834 1578 K CB 1.425 33.974 32.500 0.082 0.000 1.181 1578 K HN 0.149 nan 8.250 nan 0.000 0.435 1579 H N 0.757 119.659 119.070 -0.279 0.000 2.472 1579 H HA 0.326 4.882 4.556 0.000 0.000 0.335 1579 H C -0.878 174.173 175.328 -0.462 0.000 1.136 1579 H CA -0.268 55.625 56.048 -0.260 0.000 1.264 1579 H CB 1.013 30.628 29.762 -0.246 0.000 1.486 1579 H HN 0.433 nan 8.280 nan 0.000 0.517 1580 Y N 0.455 120.839 120.300 0.139 0.000 2.534 1580 Y HA 0.186 4.736 4.550 0.000 0.000 0.345 1580 Y C -0.637 175.431 175.900 0.279 0.000 1.031 1580 Y CA -0.961 57.235 58.100 0.160 0.000 1.022 1580 Y CB 1.915 40.377 38.460 0.003 0.000 1.292 1580 Y HN 0.397 nan 8.280 nan 0.000 0.459 1581 L N 4.170 125.716 121.223 0.539 0.000 2.265 1581 L HA 0.675 5.015 4.340 0.000 0.000 0.289 1581 L C -1.283 175.807 176.870 0.367 0.000 1.033 1581 L CA -0.170 54.992 54.840 0.538 0.000 0.814 1581 L CB 0.261 42.653 42.059 0.554 0.000 1.203 1581 L HN 0.616 nan 8.230 nan 0.000 0.423 1582 M N 5.040 124.853 119.600 0.355 0.000 2.535 1582 M HA 0.619 5.099 4.480 0.000 0.000 0.314 1582 M C -1.481 175.072 176.300 0.423 0.000 1.153 1582 M CA -0.462 54.997 55.300 0.266 0.000 0.924 1582 M CB 2.091 34.783 32.600 0.153 0.000 1.710 1582 M HN 0.745 nan 8.290 nan 0.000 0.451 1583 W N 0.562 121.988 121.300 0.211 0.000 3.066 1583 W HA 0.882 5.542 4.660 0.001 0.000 0.330 1583 W C -1.317 174.983 176.519 -0.366 0.000 1.253 1583 W CA -0.841 56.388 57.345 -0.194 0.000 1.187 1583 W CB 0.395 29.760 29.460 -0.159 0.000 1.434 1583 W HN 0.924 nan 8.180 nan 0.000 0.572 1584 G N 0.377 108.804 108.800 -0.622 0.000 2.428 1584 G HA2 0.503 4.463 3.960 0.000 0.000 0.304 1584 G HA3 0.503 4.463 3.960 0.000 0.000 0.304 1584 G C -1.715 172.972 174.900 -0.354 0.000 1.303 1584 G CA -1.094 43.850 45.100 -0.260 0.000 0.825 1584 G HN 0.847 nan 8.290 nan 0.000 0.484 1585 L N 0.523 121.707 121.223 -0.066 0.000 2.468 1585 L HA 0.347 4.688 4.340 0.000 0.000 0.254 1585 L C 2.173 178.952 176.870 -0.151 0.000 1.171 1585 L CA -0.076 54.725 54.840 -0.064 0.000 0.809 1585 L CB 1.295 43.347 42.059 -0.011 0.000 1.155 1585 L HN 0.757 nan 8.230 nan 0.000 0.473 1586 S N -1.612 113.981 115.700 -0.178 0.000 2.474 1586 S HA -0.162 4.308 4.470 0.000 0.000 0.235 1586 S C 1.859 176.300 174.600 -0.264 0.000 0.997 1586 S CA 0.960 58.926 58.200 -0.389 0.000 0.949 1586 S CB -0.240 63.012 63.200 0.087 0.000 0.766 1586 S HN 0.722 nan 8.310 nan 0.000 0.517 1587 S N 1.681 117.327 115.700 -0.090 0.000 2.469 1587 S HA -0.125 4.345 4.470 0.000 0.000 0.238 1587 S C 1.118 175.724 174.600 0.010 0.000 0.998 1587 S CA 1.193 59.396 58.200 0.005 0.000 0.957 1587 S CB -0.614 62.608 63.200 0.035 0.000 0.764 1587 S HN 0.541 nan 8.310 nan 0.000 0.514 1588 D N 0.340 120.689 120.400 -0.085 0.000 2.277 1588 D HA 0.112 4.753 4.640 0.000 0.000 0.208 1588 D C 0.146 176.431 176.300 -0.024 0.000 0.962 1588 D CA 0.222 54.233 54.000 0.018 0.000 0.865 1588 D CB -0.284 40.648 40.800 0.219 0.000 0.939 1588 D HN 0.353 nan 8.370 nan 0.000 0.510 1589 F N 0.256 120.192 119.950 -0.024 0.000 2.595 1589 F HA 0.114 4.641 4.527 0.000 0.000 0.359 1589 F C 0.741 176.572 175.800 0.051 0.000 1.147 1589 F CA -0.467 57.413 58.000 -0.199 0.000 1.341 1589 F CB 0.188 39.086 39.000 -0.170 0.000 1.104 1589 F HN -0.063 nan 8.300 nan 0.000 0.603 1590 W N 2.192 123.462 121.300 -0.050 0.000 3.326 1590 W HA 0.430 5.090 4.660 0.001 0.000 0.333 1590 W C -0.390 176.079 176.519 -0.082 0.000 1.108 1590 W CA -0.745 56.566 57.345 -0.057 0.000 1.245 1590 W CB 1.965 31.387 29.460 -0.064 0.000 1.331 1590 W HN 0.840 nan 8.180 nan 0.000 0.464 1591 G N 4.647 113.077 108.800 -0.616 0.000 3.391 1591 G HA2 -0.222 3.739 3.960 0.000 0.000 0.675 1591 G HA3 -0.222 3.739 3.960 0.000 0.000 0.675 1591 G C -0.079 174.665 174.900 -0.260 0.000 0.899 1591 G CA -0.026 44.785 45.100 -0.482 0.000 0.755 1591 G HN 0.663 nan 8.290 nan 0.000 0.475 1592 E N 3.006 123.064 120.200 -0.236 0.000 2.410 1592 E HA 0.282 4.632 4.350 0.000 0.000 0.255 1592 E C 0.935 177.448 176.600 -0.146 0.000 1.194 1592 E CA -0.349 55.945 56.400 -0.177 0.000 0.955 1592 E CB 0.911 30.519 29.700 -0.153 0.000 0.988 1592 E HN 0.678 nan 8.360 nan 0.000 0.461 1593 K N 0.728 121.049 120.400 -0.132 0.000 2.234 1593 K HA 0.068 4.389 4.320 0.000 0.000 0.251 1593 K C -1.630 174.920 176.600 -0.084 0.000 1.011 1593 K CA -1.009 55.214 56.287 -0.106 0.000 0.889 1593 K CB -0.286 32.154 32.500 -0.101 0.000 1.011 1593 K HN 0.350 nan 8.250 nan 0.000 0.505 1594 P HA -0.080 nan 4.420 nan 0.000 0.222 1594 P C -0.324 176.942 177.300 -0.056 0.000 1.157 1594 P CA 0.659 63.724 63.100 -0.059 0.000 0.816 1594 P CB 0.002 31.676 31.700 -0.043 0.000 0.813 1595 N N 1.591 120.261 118.700 -0.049 0.000 2.406 1595 N HA 0.175 4.916 4.740 0.000 0.000 0.251 1595 N C -0.675 174.806 175.510 -0.048 0.000 1.069 1595 N CA -0.335 52.693 53.050 -0.035 0.000 0.947 1595 N CB 1.252 39.727 38.487 -0.020 0.000 1.111 1595 N HN 0.015 nan 8.380 nan 0.000 0.497 1596 L N 1.359 122.556 121.223 -0.044 0.000 2.344 1596 L HA 0.500 4.840 4.340 0.000 0.000 0.272 1596 L C -0.034 176.836 176.870 -0.000 0.000 1.035 1596 L CA -0.240 54.558 54.840 -0.070 0.000 0.807 1596 L CB 1.707 43.674 42.059 -0.154 0.000 1.237 1596 L HN 0.539 nan 8.230 nan 0.000 0.442 1597 S N 0.994 116.705 115.700 0.017 0.000 2.648 1597 S HA 0.658 5.128 4.470 0.000 0.000 0.305 1597 S C -1.514 173.083 174.600 -0.006 0.000 1.094 1597 S CA -0.335 57.920 58.200 0.092 0.000 0.983 1597 S CB 1.330 64.658 63.200 0.214 0.000 1.101 1597 S HN 0.356 nan 8.310 nan 0.000 0.514 1598 Y N 0.633 120.825 120.300 -0.180 0.000 2.485 1598 Y HA 0.542 5.092 4.550 0.001 0.000 0.345 1598 Y C -0.241 175.633 175.900 -0.042 0.000 0.998 1598 Y CA -1.063 56.925 58.100 -0.187 0.000 1.059 1598 Y CB 1.040 39.062 38.460 -0.730 0.000 1.234 1598 Y HN 0.369 nan 8.280 nan 0.000 0.461 1599 I N 4.752 125.418 120.570 0.159 0.000 2.354 1599 I HA 0.262 4.433 4.170 0.000 0.000 0.286 1599 I C -0.204 176.041 176.117 0.213 0.000 1.007 1599 I CA -0.754 60.599 61.300 0.089 0.000 1.167 1599 I CB 0.826 38.779 38.000 -0.079 0.000 1.320 1599 I HN 0.561 nan 8.210 nan 0.000 0.458 1600 I N 6.254 126.979 120.570 0.259 0.000 2.576 1600 I HA 0.145 4.316 4.170 0.000 0.000 0.288 1600 I C 1.086 177.308 176.117 0.174 0.000 1.126 1600 I CA 0.440 61.891 61.300 0.252 0.000 1.362 1600 I CB 0.154 38.291 38.000 0.228 0.000 1.419 1600 I HN 0.681 nan 8.210 nan 0.000 0.533 1601 G N 4.916 113.811 108.800 0.158 0.000 3.175 1601 G HA2 0.345 4.305 3.960 0.000 0.000 0.255 1601 G HA3 0.345 4.305 3.960 0.000 0.000 0.255 1601 G C 0.495 175.449 174.900 0.090 0.000 1.352 1601 G CA -0.698 44.468 45.100 0.110 0.000 1.037 1601 G HN 0.669 nan 8.290 nan 0.000 0.556 1602 K N -0.663 119.772 120.400 0.057 0.000 2.585 1602 K HA 0.040 4.360 4.320 0.000 0.000 0.194 1602 K C -0.035 176.579 176.600 0.023 0.000 1.037 1602 K CA 1.337 57.637 56.287 0.021 0.000 0.964 1602 K CB 0.279 32.787 32.500 0.014 0.000 0.787 1602 K HN 0.289 nan 8.250 nan 0.000 0.488 1603 D N 1.044 121.481 120.400 0.062 0.000 2.535 1603 D HA 0.033 4.674 4.640 0.000 0.000 0.229 1603 D C -0.567 175.803 176.300 0.117 0.000 1.238 1603 D CA 0.043 54.097 54.000 0.089 0.000 0.824 1603 D CB 1.034 41.886 40.800 0.087 0.000 1.045 1603 D HN 0.046 nan 8.370 nan 0.000 0.500 1604 T N 1.474 116.086 114.554 0.098 0.000 2.853 1604 T HA 0.055 4.405 4.350 0.000 0.000 0.317 1604 T C -0.213 174.491 174.700 0.007 0.000 1.059 1604 T CA -0.600 61.564 62.100 0.106 0.000 0.954 1604 T CB 1.003 69.991 68.868 0.200 0.000 0.994 1604 T HN 0.130 nan 8.240 nan 0.000 0.479 1605 W N 6.172 127.193 121.300 -0.465 0.000 2.546 1605 W HA 0.412 5.072 4.660 0.001 0.000 0.323 1605 W C -1.411 174.819 176.519 -0.481 0.000 1.272 1605 W CA -0.518 56.406 57.345 -0.702 0.000 1.404 1605 W CB 0.128 28.521 29.460 -1.778 0.000 1.411 1605 W HN 0.261 nan 8.180 nan 0.000 0.480 1606 V N 6.521 126.230 119.914 -0.343 0.000 2.483 1606 V HA 0.439 4.559 4.120 0.000 0.000 0.295 1606 V C -0.234 175.643 176.094 -0.361 0.000 1.035 1606 V CA -0.735 61.408 62.300 -0.262 0.000 0.896 1606 V CB 1.704 33.368 31.823 -0.266 0.000 0.986 1606 V HN 0.502 nan 8.190 nan 0.000 0.447 1607 E N 1.330 121.486 120.200 -0.073 0.000 2.372 1607 E HA 0.331 4.682 4.350 0.000 0.000 0.279 1607 E C -1.615 175.167 176.600 0.303 0.000 0.946 1607 E CA -0.859 55.556 56.400 0.025 0.000 0.769 1607 E CB 2.161 31.883 29.700 0.037 0.000 1.230 1607 E HN 0.886 nan 8.360 nan 0.000 0.442 1608 H N 3.030 122.170 119.070 0.117 0.000 2.803 1608 H HA 0.117 4.673 4.556 0.000 0.000 0.330 1608 H C -1.185 174.125 175.328 -0.029 0.000 1.057 1608 H CA 0.147 56.161 56.048 -0.057 0.000 1.458 1608 H CB 0.533 30.241 29.762 -0.090 0.000 1.470 1608 H HN 0.288 nan 8.280 nan 0.000 0.560 1609 W N 9.083 129.904 121.300 -0.799 0.000 2.278 1609 W HA 0.286 4.946 4.660 0.000 0.000 0.317 1609 W C -2.745 173.315 176.519 -0.765 0.000 1.030 1609 W CA -2.993 54.024 57.345 -0.547 0.000 1.334 1609 W CB 0.773 30.082 29.460 -0.252 0.000 1.215 1609 W HN 0.635 nan 8.180 nan 0.000 0.405 1610 P HA -0.076 nan 4.420 nan 0.000 0.266 1610 P C -0.092 177.230 177.300 0.038 0.000 1.195 1610 P CA 0.566 63.609 63.100 -0.095 0.000 0.768 1610 P CB 0.852 32.544 31.700 -0.013 0.000 0.838 1611 E N 1.172 121.376 120.200 0.006 0.000 2.391 1611 E HA -0.028 4.322 4.350 0.000 0.000 0.255 1611 E C 1.195 177.787 176.600 -0.014 0.000 1.187 1611 E CA 0.049 56.416 56.400 -0.055 0.000 0.941 1611 E CB 0.354 30.041 29.700 -0.023 0.000 1.010 1611 E HN 0.342 nan 8.360 nan 0.000 0.458 1612 E N 0.628 120.802 120.200 -0.043 0.000 2.107 1612 E HA -0.169 4.181 4.350 0.000 0.000 0.191 1612 E C 0.856 177.458 176.600 0.003 0.000 0.982 1612 E CA 1.842 58.236 56.400 -0.010 0.000 0.809 1612 E CB -0.120 29.565 29.700 -0.025 0.000 0.756 1612 E HN 0.616 nan 8.360 nan 0.000 0.459 1613 D N -0.083 120.318 120.400 0.000 0.000 2.350 1613 D HA -0.170 4.471 4.640 0.000 0.000 0.216 1613 D C 0.760 177.069 176.300 0.015 0.000 0.968 1613 D CA 1.133 55.138 54.000 0.008 0.000 0.894 1613 D CB -0.298 40.508 40.800 0.010 0.000 0.909 1613 D HN 0.621 nan 8.370 nan 0.000 0.520 1614 E N -1.315 118.897 120.200 0.020 0.000 2.660 1614 E HA 0.219 4.570 4.350 0.000 0.000 0.216 1614 E C 0.597 177.212 176.600 0.025 0.000 0.986 1614 E CA -0.368 56.047 56.400 0.026 0.000 1.037 1614 E CB -0.402 29.320 29.700 0.038 0.000 1.041 1614 E HN 0.085 nan 8.360 nan 0.000 0.480 1615 c N 1.603 120.216 118.600 0.022 0.000 2.472 1615 c HA 0.018 4.588 4.570 0.000 0.000 0.278 1615 c C 2.216 176.314 174.090 0.013 0.000 1.447 1615 c CA 0.412 56.752 56.329 0.018 0.000 1.773 1615 c CB -0.558 41.967 42.510 0.024 0.000 1.793 1615 c HN 0.501 nan 8.230 nan 0.000 0.544 1616 Q N 0.806 120.615 119.800 0.014 0.000 2.224 1616 Q HA -0.028 4.312 4.340 0.000 0.000 0.203 1616 Q C 0.373 176.379 176.000 0.009 0.000 0.970 1616 Q CA 0.920 56.730 55.803 0.011 0.000 0.865 1616 Q CB -0.286 28.458 28.738 0.011 0.000 0.922 1616 Q HN 0.672 nan 8.270 nan 0.000 0.445 1617 D N 0.962 121.368 120.400 0.010 0.000 2.369 1617 D HA -0.029 4.612 4.640 0.000 0.000 0.241 1617 D C 1.421 177.724 176.300 0.006 0.000 1.271 1617 D CA 0.014 54.019 54.000 0.009 0.000 0.942 1617 D CB 0.615 41.422 40.800 0.011 0.000 1.129 1617 D HN -0.014 nan 8.370 nan 0.000 0.476 1618 E N 0.567 120.770 120.200 0.004 0.000 2.072 1618 E HA -0.151 4.199 4.350 0.000 0.000 0.190 1618 E C 1.297 177.897 176.600 0.001 0.000 0.982 1618 E CA 1.006 57.407 56.400 0.002 0.000 0.803 1618 E CB -0.097 29.603 29.700 0.001 0.000 0.755 1618 E HN 0.454 nan 8.360 nan 0.000 0.453 1619 E N 0.492 120.693 120.200 0.001 0.000 2.502 1619 E HA 0.051 4.402 4.350 0.000 0.000 0.194 1619 E C 1.084 177.685 176.600 0.001 0.000 1.062 1619 E CA 0.337 56.737 56.400 0.000 0.000 0.867 1619 E CB -0.058 29.642 29.700 -0.000 0.000 0.888 1619 E HN 0.299 nan 8.360 nan 0.000 0.510 1620 N N 0.159 118.860 118.700 0.002 0.000 2.564 1620 N HA -0.074 4.667 4.740 0.000 0.000 0.202 1620 N C 1.556 177.058 175.510 -0.014 0.000 1.052 1620 N CA 0.303 53.352 53.050 -0.002 0.000 0.872 1620 N CB 0.182 38.676 38.487 0.013 0.000 1.303 1620 N HN 0.112 nan 8.380 nan 0.000 0.440 1621 Q N 2.049 121.845 119.800 -0.007 0.000 2.181 1621 Q HA -0.207 4.134 4.340 0.000 0.000 0.205 1621 Q C 1.828 177.820 176.000 -0.014 0.000 0.980 1621 Q CA 1.316 57.115 55.803 -0.007 0.000 0.862 1621 Q CB -0.247 28.491 28.738 0.000 0.000 0.905 1621 Q HN 0.264 nan 8.270 nan 0.000 0.429 1622 K N 0.994 121.385 120.400 -0.014 0.000 2.057 1622 K HA -0.217 4.103 4.320 0.000 0.000 0.206 1622 K C 2.142 178.723 176.600 -0.031 0.000 1.050 1622 K CA 1.664 57.942 56.287 -0.016 0.000 0.935 1622 K CB -0.060 32.434 32.500 -0.011 0.000 0.715 1622 K HN 0.376 nan 8.250 nan 0.000 0.439 1623 Q N -0.033 119.740 119.800 -0.045 0.000 2.331 1623 Q HA -0.047 4.293 4.340 0.000 0.000 0.203 1623 Q C 1.935 177.850 176.000 -0.141 0.000 0.944 1623 Q CA 0.620 56.373 55.803 -0.082 0.000 0.892 1623 Q CB 0.142 28.834 28.738 -0.075 0.000 0.983 1623 Q HN 0.439 nan 8.270 nan 0.000 0.482 1624 c N 0.603 119.140 118.600 -0.106 0.000 2.508 1624 c HA -0.083 4.487 4.570 0.000 0.000 0.280 1624 c C 2.466 176.501 174.090 -0.092 0.000 1.262 1624 c CA 0.868 57.126 56.329 -0.118 0.000 1.706 1624 c CB -0.626 41.861 42.510 -0.039 0.000 2.078 1624 c HN 0.576 nan 8.230 nan 0.000 0.480 1625 Q N 0.252 120.030 119.800 -0.037 0.000 2.369 1625 Q HA -0.138 4.202 4.340 0.000 0.000 0.206 1625 Q C 1.448 177.444 176.000 -0.008 0.000 0.963 1625 Q CA 1.131 56.932 55.803 -0.004 0.000 0.894 1625 Q CB -0.129 28.614 28.738 0.009 0.000 0.965 1625 Q HN 0.607 nan 8.270 nan 0.000 0.475 1626 D N 0.279 120.655 120.400 -0.040 0.000 2.104 1626 D HA -0.151 4.489 4.640 0.000 0.000 0.194 1626 D C 1.477 177.754 176.300 -0.038 0.000 0.994 1626 D CA 1.061 55.041 54.000 -0.033 0.000 0.830 1626 D CB 0.028 40.794 40.800 -0.056 0.000 0.959 1626 D HN 0.208 nan 8.370 nan 0.000 0.452 1627 L N -0.382 120.733 121.223 -0.180 0.000 2.217 1627 L HA 0.042 4.383 4.340 0.000 0.000 0.211 1627 L C 2.458 179.345 176.870 0.028 0.000 1.107 1627 L CA 1.026 55.688 54.840 -0.296 0.000 0.783 1627 L CB -0.547 40.880 42.059 -1.053 0.000 0.919 1627 L HN 0.091 nan 8.230 nan 0.000 0.442 1628 G N -0.157 108.684 108.800 0.068 0.000 2.402 1628 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 1628 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 1628 G C 1.807 176.795 174.900 0.148 0.000 1.162 1628 G CA 0.722 45.919 45.100 0.160 0.000 0.777 1628 G HN 0.425 nan 8.290 nan 0.000 0.539 1629 A N 0.281 123.168 122.820 0.111 0.000 1.933 1629 A HA 0.065 4.386 4.320 0.000 0.000 0.218 1629 A C 2.160 179.822 177.584 0.130 0.000 1.175 1629 A CA 1.478 53.575 52.037 0.099 0.000 0.628 1629 A CB -0.528 18.513 19.000 0.070 0.000 0.814 1629 A HN 0.366 nan 8.150 nan 0.000 0.444 1630 F N 1.059 121.021 119.950 0.020 0.000 2.113 1630 F HA -0.129 4.399 4.527 0.001 0.000 0.297 1630 F C 2.569 178.421 175.800 0.087 0.000 1.103 1630 F CA 2.212 60.229 58.000 0.027 0.000 1.248 1630 F CB -0.510 38.494 39.000 0.007 0.000 0.999 1630 F HN 0.200 nan 8.300 nan 0.000 0.475 1631 T N -0.008 114.736 114.554 0.316 0.000 2.684 1631 T HA -0.199 4.151 4.350 0.000 0.000 0.267 1631 T C 1.840 176.610 174.700 0.116 0.000 1.036 1631 T CA 1.849 64.118 62.100 0.281 0.000 1.148 1631 T CB -0.280 68.817 68.868 0.383 0.000 0.863 1631 T HN 0.361 nan 8.240 nan 0.000 0.436 1632 E N 0.605 120.869 120.200 0.107 0.000 2.046 1632 E HA -0.010 4.340 4.350 0.000 0.000 0.190 1632 E C 2.079 178.733 176.600 0.089 0.000 0.982 1632 E CA 0.638 57.092 56.400 0.090 0.000 0.800 1632 E CB -0.167 29.599 29.700 0.111 0.000 0.756 1632 E HN 0.223 nan 8.360 nan 0.000 0.449 1633 S N -0.263 115.469 115.700 0.053 0.000 2.803 1633 S HA 0.011 4.482 4.470 0.000 0.000 0.226 1633 S C 1.194 175.738 174.600 -0.094 0.000 0.962 1633 S CA 0.350 58.575 58.200 0.042 0.000 0.968 1633 S CB 0.019 63.186 63.200 -0.055 0.000 0.786 1633 S HN 0.151 nan 8.310 nan 0.000 0.527 1634 M N -1.155 118.364 119.600 -0.135 0.000 2.180 1634 M HA 0.224 4.704 4.480 0.000 0.000 0.289 1634 M C 1.439 177.686 176.300 -0.088 0.000 1.089 1634 M CA 0.538 55.713 55.300 -0.210 0.000 1.120 1634 M CB 0.051 32.391 32.600 -0.434 0.000 1.864 1634 M HN 0.147 nan 8.290 nan 0.000 0.636 1635 V N -0.127 119.763 119.914 -0.040 0.000 2.426 1635 V HA -0.047 4.074 4.120 0.000 0.000 0.242 1635 V C 2.222 178.267 176.094 -0.081 0.000 1.036 1635 V CA 1.127 63.409 62.300 -0.030 0.000 1.044 1635 V CB -0.030 31.794 31.823 0.001 0.000 0.688 1635 V HN 0.158 nan 8.190 nan 0.000 0.462 1636 V N -1.254 118.595 119.914 -0.109 0.000 2.871 1636 V HA 0.005 4.125 4.120 0.000 0.000 0.256 1636 V C 1.694 177.400 176.094 -0.645 0.000 1.082 1636 V CA 1.805 63.893 62.300 -0.355 0.000 1.105 1636 V CB -0.477 31.123 31.823 -0.373 0.000 0.713 1636 V HN 0.514 nan 8.190 nan 0.000 0.473 1637 F N -1.085 118.829 119.950 -0.060 0.000 2.815 1637 F HA 0.570 5.097 4.527 0.000 0.000 0.328 1637 F C 1.642 177.393 175.800 -0.082 0.000 0.982 1637 F CA 0.599 58.560 58.000 -0.065 0.000 1.154 1637 F CB 0.179 39.138 39.000 -0.068 0.000 0.980 1637 F HN 0.223 nan 8.300 nan 0.000 0.603 1638 G N 0.666 109.496 108.800 0.050 0.000 2.552 1638 G HA2 -0.300 3.660 3.960 0.000 0.000 0.265 1638 G HA3 -0.300 3.660 3.960 0.000 0.000 0.265 1638 G C -0.508 174.354 174.900 -0.062 0.000 1.234 1638 G CA -0.523 44.554 45.100 -0.038 0.000 0.944 1638 G HN 0.313 nan 8.290 nan 0.000 0.568 1639 c N 2.185 120.739 118.600 -0.078 0.000 2.435 1639 c HA 0.536 5.106 4.570 0.000 0.000 0.375 1639 c C 0.264 174.323 174.090 -0.053 0.000 1.281 1639 c CA 0.138 56.413 56.329 -0.091 0.000 1.963 1639 c CB 0.893 43.341 42.510 -0.104 0.000 2.490 1639 c HN 0.657 nan 8.230 nan 0.000 0.557 1640 P HA -0.014 nan 4.420 nan 0.000 0.217 1640 P C -0.072 177.208 177.300 -0.033 0.000 1.151 1640 P CA 1.344 64.419 63.100 -0.041 0.000 0.828 1640 P CB 0.255 31.919 31.700 -0.060 0.000 0.788 1641 N N 0.000 118.675 118.700 -0.042 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.030 53.050 -0.034 0.000 0.885 1641 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667