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 2c3m_1_B DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 2 G C 0.000 174.913 174.900 0.021 0.000 0.946 2 G CA 0.000 45.111 45.100 0.018 0.000 0.502 3 K N -0.153 120.249 120.400 0.003 0.000 2.221 3 K HA 0.704 5.025 4.320 0.001 0.000 0.243 3 K C -0.743 175.836 176.600 -0.035 0.000 0.968 3 K CA -0.870 55.410 56.287 -0.013 0.000 0.846 3 K CB 2.654 35.144 32.500 -0.017 0.000 1.141 3 K HN 0.449 nan 8.250 nan 0.000 0.434 4 K N 2.175 122.537 120.400 -0.063 0.000 2.535 4 K HA 0.280 4.601 4.320 0.001 0.000 0.250 4 K C -1.070 175.470 176.600 -0.100 0.000 0.948 4 K CA -0.597 55.644 56.287 -0.077 0.000 0.796 4 K CB 1.182 33.633 32.500 -0.081 0.000 1.216 4 K HN 0.439 nan 8.250 nan 0.000 0.432 5 M N 6.415 125.967 119.600 -0.081 0.000 2.156 5 M HA 0.265 4.746 4.480 0.001 0.000 0.345 5 M C -0.296 175.959 176.300 -0.075 0.000 1.398 5 M CA 0.090 55.342 55.300 -0.080 0.000 1.148 5 M CB 0.197 32.754 32.600 -0.070 0.000 1.663 5 M HN 0.695 nan 8.290 nan 0.000 0.464 6 M N 1.439 120.991 119.600 -0.081 0.000 2.593 6 M HA 0.595 5.076 4.480 0.001 0.000 0.290 6 M C -0.565 175.715 176.300 -0.033 0.000 1.244 6 M CA -0.737 54.526 55.300 -0.061 0.000 0.857 6 M CB 2.434 34.983 32.600 -0.086 0.000 1.738 6 M HN 0.376 nan 8.290 nan 0.000 0.461 7 T N 1.923 116.473 114.554 -0.006 0.000 2.756 7 T HA 0.767 5.118 4.350 0.001 0.000 0.290 7 T C -0.696 174.020 174.700 0.026 0.000 0.985 7 T CA 0.262 62.376 62.100 0.022 0.000 0.955 7 T CB 0.297 69.193 68.868 0.046 0.000 0.930 7 T HN 1.020 nan 8.240 nan 0.000 0.451 8 T N 1.531 116.103 114.554 0.030 0.000 2.693 8 T HA 0.569 4.920 4.350 0.001 0.000 0.304 8 T C -1.319 173.406 174.700 0.043 0.000 1.471 8 T CA -1.022 61.101 62.100 0.037 0.000 0.993 8 T CB 1.190 70.078 68.868 0.034 0.000 1.554 8 T HN 0.561 nan 8.240 nan 0.000 0.496 9 D N -0.616 119.806 120.400 0.037 0.000 2.478 9 D HA 0.519 5.159 4.640 0.001 0.000 0.263 9 D C 1.699 178.002 176.300 0.006 0.000 1.153 9 D CA -0.160 53.864 54.000 0.040 0.000 1.038 9 D CB 0.074 40.889 40.800 0.025 0.000 1.120 9 D HN 0.798 nan 8.370 nan 0.000 0.564 10 G N -0.382 108.419 108.800 0.001 0.000 2.440 10 G HA2 -0.348 3.613 3.960 0.001 0.000 0.218 10 G HA3 -0.348 3.613 3.960 0.001 0.000 0.218 10 G C 1.266 176.044 174.900 -0.203 0.000 1.154 10 G CA 0.833 45.830 45.100 -0.171 0.000 0.767 10 G HN 0.652 nan 8.290 nan 0.000 0.552 11 N N -0.040 118.672 118.700 0.019 0.000 2.043 11 N HA -0.157 4.583 4.740 0.001 0.000 0.193 11 N C 2.571 178.089 175.510 0.012 0.000 1.037 11 N CA 1.983 55.079 53.050 0.077 0.000 0.851 11 N CB -0.204 38.271 38.487 -0.020 0.000 1.027 11 N HN 0.477 nan 8.380 nan 0.000 0.422 12 T N -1.426 113.136 114.554 0.012 0.000 2.857 12 T HA 0.071 4.422 4.350 0.001 0.000 0.266 12 T C 1.993 176.814 174.700 0.202 0.000 1.048 12 T CA 0.898 63.065 62.100 0.113 0.000 1.139 12 T CB -0.381 68.560 68.868 0.121 0.000 0.874 12 T HN 0.183 nan 8.240 nan 0.000 0.455 13 A N 1.739 124.621 122.820 0.102 0.000 1.908 13 A HA -0.058 4.263 4.320 0.001 0.000 0.218 13 A C 2.625 180.311 177.584 0.170 0.000 1.181 13 A CA 2.235 54.347 52.037 0.125 0.000 0.627 13 A CB -1.501 17.530 19.000 0.052 0.000 0.818 13 A HN 0.565 nan 8.150 nan 0.000 0.445 14 T N 0.139 114.733 114.554 0.066 0.000 2.737 14 T HA 0.055 4.406 4.350 0.001 0.000 0.265 14 T C 2.249 177.013 174.700 0.107 0.000 1.038 14 T CA 1.443 63.581 62.100 0.064 0.000 1.144 14 T CB -0.461 68.462 68.868 0.092 0.000 0.866 14 T HN 0.588 nan 8.240 nan 0.000 0.434 15 A N 1.533 124.445 122.820 0.153 0.000 1.978 15 A HA -0.214 4.107 4.320 0.001 0.000 0.220 15 A C 2.108 180.030 177.584 0.565 0.000 1.170 15 A CA 1.757 53.926 52.037 0.221 0.000 0.636 15 A CB -0.986 17.994 19.000 -0.034 0.000 0.810 15 A HN 0.685 nan 8.150 nan 0.000 0.448 16 H N 0.060 119.410 119.070 0.467 0.000 2.319 16 H HA -0.132 4.425 4.556 0.001 0.000 0.297 16 H C 1.954 177.431 175.328 0.248 0.000 1.097 16 H CA 2.370 58.630 56.048 0.353 0.000 1.285 16 H CB -0.089 29.816 29.762 0.238 0.000 1.368 16 H HN 0.258 nan 8.280 nan 0.000 0.495 17 V N 1.237 121.253 119.914 0.169 0.000 2.323 17 V HA -0.167 3.954 4.120 0.001 0.000 0.244 17 V C 3.140 179.124 176.094 -0.183 0.000 1.041 17 V CA 1.382 63.624 62.300 -0.097 0.000 1.025 17 V CB -1.220 30.530 31.823 -0.121 0.000 0.656 17 V HN 0.580 nan 8.190 nan 0.000 0.451 18 A N -0.792 122.035 122.820 0.012 0.000 1.908 18 A HA -0.307 4.014 4.320 0.001 0.000 0.218 18 A C 2.173 179.811 177.584 0.090 0.000 1.181 18 A CA 2.293 54.398 52.037 0.113 0.000 0.627 18 A CB -0.859 18.396 19.000 0.425 0.000 0.818 18 A HN 0.648 nan 8.150 nan 0.000 0.445 19 Y N 0.348 120.728 120.300 0.133 0.000 2.181 19 Y HA -0.109 4.441 4.550 0.001 0.000 0.288 19 Y C 2.685 178.530 175.900 -0.092 0.000 1.146 19 Y CA 1.510 59.714 58.100 0.172 0.000 1.164 19 Y CB -0.344 38.378 38.460 0.436 0.000 0.982 19 Y HN 0.325 nan 8.280 nan 0.000 0.515 20 A N -0.158 122.489 122.820 -0.287 0.000 1.933 20 A HA -0.160 4.160 4.320 0.001 0.000 0.218 20 A C 1.903 179.180 177.584 -0.511 0.000 1.175 20 A CA 1.839 53.411 52.037 -0.775 0.000 0.628 20 A CB -0.483 17.482 19.000 -1.725 0.000 0.814 20 A HN 0.472 nan 8.150 nan 0.000 0.444 21 M N 0.211 119.516 119.600 -0.491 0.000 2.495 21 M HA 0.205 4.685 4.480 0.001 0.000 0.237 21 M C -0.113 176.083 176.300 -0.173 0.000 1.131 21 M CA 0.322 55.363 55.300 -0.431 0.000 1.032 21 M CB -0.790 31.358 32.600 -0.753 0.000 1.513 21 M HN 0.173 nan 8.290 nan 0.000 0.488 22 S N -0.194 115.443 115.700 -0.105 0.000 2.566 22 S HA 0.425 4.896 4.470 0.001 0.000 0.298 22 S C 0.678 175.310 174.600 0.052 0.000 1.083 22 S CA -0.731 57.492 58.200 0.039 0.000 0.978 22 S CB 2.579 65.815 63.200 0.059 0.000 1.073 22 S HN 0.231 nan 8.310 nan 0.000 0.491 23 E N 0.095 120.344 120.200 0.081 0.000 2.330 23 E HA 0.222 4.573 4.350 0.001 0.000 0.200 23 E C -0.386 176.222 176.600 0.013 0.000 0.922 23 E CA 0.350 56.775 56.400 0.043 0.000 0.935 23 E CB 0.570 30.264 29.700 -0.011 0.000 0.917 23 E HN 0.259 nan 8.360 nan 0.000 0.491 24 V N 0.606 120.538 119.914 0.030 0.000 2.876 24 V HA 0.706 4.827 4.120 0.001 0.000 0.312 24 V C -1.224 174.889 176.094 0.032 0.000 1.085 24 V CA -0.927 61.391 62.300 0.030 0.000 0.945 24 V CB 1.907 33.752 31.823 0.037 0.000 1.017 24 V HN 0.137 nan 8.190 nan 0.000 0.428 25 A N 2.797 125.635 122.820 0.030 0.000 2.402 25 A HA 0.909 5.230 4.320 0.001 0.000 0.291 25 A C -0.547 177.040 177.584 0.006 0.000 1.051 25 A CA -0.144 51.901 52.037 0.013 0.000 0.716 25 A CB 1.537 20.583 19.000 0.076 0.000 1.223 25 A HN 1.469 nan 8.150 nan 0.000 0.425 26 A N 3.219 126.021 122.820 -0.031 0.000 2.271 26 A HA 0.793 5.114 4.320 0.001 0.000 0.317 26 A C -0.066 177.486 177.584 -0.054 0.000 1.245 26 A CA -0.423 51.596 52.037 -0.031 0.000 0.857 26 A CB -0.025 18.964 19.000 -0.019 0.000 1.175 26 A HN 1.636 nan 8.150 nan 0.000 0.512 27 I N -1.274 119.269 120.570 -0.046 0.000 3.239 27 I HA 0.887 5.058 4.170 0.001 0.000 0.314 27 I C -1.326 174.812 176.117 0.035 0.000 1.126 27 I CA -1.221 60.065 61.300 -0.022 0.000 0.973 27 I CB 2.250 40.248 38.000 -0.003 0.000 1.252 27 I HN 0.554 nan 8.210 nan 0.000 0.463 28 Y N 2.013 122.271 120.300 -0.070 0.000 2.480 28 Y HA 0.541 5.092 4.550 0.001 0.000 0.329 28 Y C -2.871 173.065 175.900 0.061 0.000 1.127 28 Y CA -1.666 56.430 58.100 -0.008 0.000 1.037 28 Y CB 2.451 40.933 38.460 0.036 0.000 1.320 28 Y HN 0.447 nan 8.280 nan 0.000 0.446 29 P HA 0.480 nan 4.420 nan 0.000 0.279 29 P C -1.099 176.207 177.300 0.009 0.000 1.239 29 P CA -0.018 63.044 63.100 -0.062 0.000 0.789 29 P CB 2.141 33.838 31.700 -0.005 0.000 0.933 30 I N 0.836 121.433 120.570 0.045 0.000 2.735 30 I HA 0.123 4.293 4.170 0.001 0.000 0.287 30 I C -0.715 175.398 176.117 -0.007 0.000 1.452 30 I CA -0.307 61.013 61.300 0.032 0.000 1.061 30 I CB 2.031 40.082 38.000 0.085 0.000 1.383 30 I HN 0.180 nan 8.210 nan 0.000 0.425 31 T N 8.705 123.234 114.554 -0.042 0.000 2.930 31 T HA 0.220 4.571 4.350 0.001 0.000 0.306 31 T C -2.129 172.510 174.700 -0.102 0.000 1.045 31 T CA -0.484 61.571 62.100 -0.076 0.000 1.134 31 T CB 0.581 69.408 68.868 -0.068 0.000 0.961 31 T HN 0.484 nan 8.240 nan 0.000 0.545 32 P HA 0.184 nan 4.420 nan 0.000 0.262 32 P C 0.682 177.920 177.300 -0.103 0.000 1.651 32 P CA -0.214 62.700 63.100 -0.310 0.000 1.119 32 P CB 0.078 31.207 31.700 -0.952 0.000 1.552 33 S N -2.235 113.431 115.700 -0.056 0.000 2.517 33 S HA 0.035 4.506 4.470 0.001 0.000 0.214 33 S C 1.760 176.363 174.600 0.004 0.000 0.991 33 S CA 0.243 58.443 58.200 0.000 0.000 0.906 33 S CB -0.757 62.471 63.200 0.047 0.000 0.789 33 S HN -0.029 nan 8.310 nan 0.000 0.513 34 S N 2.447 118.146 115.700 -0.000 0.000 2.380 34 S HA -0.167 4.304 4.470 0.001 0.000 0.229 34 S C 1.932 176.500 174.600 -0.053 0.000 1.043 34 S CA 2.103 60.310 58.200 0.010 0.000 1.038 34 S CB -1.165 62.040 63.200 0.007 0.000 0.872 34 S HN 0.738 nan 8.310 nan 0.000 0.456 35 T N 2.585 117.072 114.554 -0.111 0.000 2.699 35 T HA -0.128 4.223 4.350 0.001 0.000 0.268 35 T C 1.769 176.300 174.700 -0.281 0.000 1.036 35 T CA 1.495 63.480 62.100 -0.191 0.000 1.147 35 T CB -0.391 68.346 68.868 -0.218 0.000 0.862 35 T HN 0.384 nan 8.240 nan 0.000 0.446 36 M N 0.654 120.054 119.600 -0.333 0.000 2.067 36 M HA -0.042 4.439 4.480 0.001 0.000 0.260 36 M C 2.855 178.686 176.300 -0.781 0.000 1.069 36 M CA 1.919 56.825 55.300 -0.656 0.000 1.117 36 M CB -0.935 31.102 32.600 -0.939 0.000 1.334 36 M HN 0.395 nan 8.290 nan 0.000 0.407 37 G N 0.114 108.619 108.800 -0.491 0.000 2.422 37 G HA2 -0.195 3.766 3.960 0.001 0.000 0.218 37 G HA3 -0.195 3.766 3.960 0.001 0.000 0.218 37 G C 1.339 176.294 174.900 0.093 0.000 1.146 37 G CA 0.802 45.899 45.100 -0.006 0.000 0.769 37 G HN 0.526 nan 8.290 nan 0.000 0.547 38 E N 0.149 120.297 120.200 -0.086 0.000 2.107 38 E HA -0.066 4.285 4.350 0.001 0.000 0.191 38 E C 2.452 178.802 176.600 -0.417 0.000 0.982 38 E CA 0.659 56.858 56.400 -0.335 0.000 0.809 38 E CB -0.012 29.468 29.700 -0.367 0.000 0.756 38 E HN 0.295 nan 8.360 nan 0.000 0.459 39 E N 0.798 120.677 120.200 -0.535 0.000 2.051 39 E HA -0.177 4.174 4.350 0.001 0.000 0.192 39 E C 2.128 178.024 176.600 -1.172 0.000 0.991 39 E CA 1.048 56.882 56.400 -0.944 0.000 0.799 39 E CB -0.249 28.808 29.700 -1.072 0.000 0.748 39 E HN 0.227 nan 8.360 nan 0.000 0.449 40 A N 1.324 123.751 122.820 -0.655 0.000 1.908 40 A HA -0.252 4.069 4.320 0.001 0.000 0.218 40 A C 2.017 179.653 177.584 0.088 0.000 1.181 40 A CA 2.135 54.115 52.037 -0.095 0.000 0.627 40 A CB -0.683 18.443 19.000 0.210 0.000 0.818 40 A HN 0.251 nan 8.150 nan 0.000 0.445 41 D N -0.670 119.738 120.400 0.014 0.000 2.144 41 D HA -0.133 4.508 4.640 0.001 0.000 0.200 41 D C 1.328 177.621 176.300 -0.011 0.000 0.978 41 D CA 1.347 55.389 54.000 0.071 0.000 0.833 41 D CB -0.059 40.762 40.800 0.035 0.000 0.961 41 D HN 0.363 nan 8.370 nan 0.000 0.470 42 D N -0.404 119.895 120.400 -0.167 0.000 2.097 42 D HA -0.148 4.493 4.640 0.001 0.000 0.195 42 D C 1.851 178.189 176.300 0.063 0.000 0.989 42 D CA 0.730 54.663 54.000 -0.111 0.000 0.827 42 D CB -0.397 40.274 40.800 -0.214 0.000 0.966 42 D HN 0.436 nan 8.370 nan 0.000 0.456 43 W N 1.454 122.712 121.300 -0.070 0.000 2.363 43 W HA 0.039 4.700 4.660 0.001 0.000 0.296 43 W C 2.511 178.990 176.519 -0.066 0.000 1.212 43 W CA 0.589 57.822 57.345 -0.186 0.000 1.260 43 W CB -1.336 27.811 29.460 -0.522 0.000 1.131 43 W HN -0.033 nan 8.180 nan 0.000 0.530 44 A N 0.421 123.450 122.820 0.350 0.000 1.972 44 A HA 0.038 4.358 4.320 0.001 0.000 0.219 44 A C 2.255 179.966 177.584 0.212 0.000 1.169 44 A CA 2.455 54.717 52.037 0.376 0.000 0.635 44 A CB -0.928 18.297 19.000 0.375 0.000 0.810 44 A HN 0.127 nan 8.150 nan 0.000 0.446 45 A N -0.716 122.195 122.820 0.152 0.000 1.968 45 A HA -0.108 4.213 4.320 0.001 0.000 0.217 45 A C 1.951 179.598 177.584 0.106 0.000 1.169 45 A CA 1.308 53.405 52.037 0.100 0.000 0.638 45 A CB -0.395 18.642 19.000 0.061 0.000 0.812 45 A HN 0.626 nan 8.150 nan 0.000 0.446 46 Q N -1.237 118.633 119.800 0.117 0.000 2.482 46 Q HA 0.236 4.577 4.340 0.001 0.000 0.209 46 Q C 1.046 177.091 176.000 0.075 0.000 0.961 46 Q CA 0.356 56.214 55.803 0.092 0.000 0.945 46 Q CB 0.005 28.797 28.738 0.090 0.000 1.012 46 Q HN 0.848 nan 8.270 nan 0.000 0.515 47 G N 2.010 110.872 108.800 0.103 0.000 2.143 47 G HA2 -0.346 3.614 3.960 0.001 0.000 0.248 47 G HA3 -0.346 3.614 3.960 0.001 0.000 0.248 47 G C 0.061 175.021 174.900 0.100 0.000 0.991 47 G CA 0.133 45.295 45.100 0.103 0.000 0.689 47 G HN 0.348 nan 8.290 nan 0.000 0.522 48 R N 0.347 120.894 120.500 0.077 0.000 2.570 48 R HA 0.311 4.652 4.340 0.001 0.000 0.277 48 R C 0.059 176.507 176.300 0.247 0.000 1.039 48 R CA 0.150 56.255 56.100 0.009 0.000 1.065 48 R CB 0.319 30.451 30.300 -0.282 0.000 0.964 48 R HN 0.021 nan 8.270 nan 0.000 0.428 49 K N 3.157 123.687 120.400 0.217 0.000 2.123 49 K HA 0.169 4.490 4.320 0.001 0.000 0.259 49 K C -0.078 176.777 176.600 0.425 0.000 0.960 49 K CA -0.847 55.618 56.287 0.295 0.000 0.872 49 K CB 1.232 33.833 32.500 0.168 0.000 1.079 49 K HN 0.706 nan 8.250 nan 0.000 0.440 50 N N 0.809 119.706 118.700 0.329 0.000 2.431 50 N HA 0.100 4.841 4.740 0.001 0.000 0.289 50 N C 1.233 176.757 175.510 0.024 0.000 1.277 50 N CA -0.476 52.676 53.050 0.171 0.000 0.972 50 N CB -0.093 38.404 38.487 0.015 0.000 1.143 50 N HN 0.634 nan 8.380 nan 0.000 0.578 51 I N -4.543 115.866 120.570 -0.267 0.000 2.850 51 I HA 0.023 4.194 4.170 0.001 0.000 0.266 51 I C 0.353 176.201 176.117 -0.449 0.000 1.257 51 I CA 1.157 62.219 61.300 -0.398 0.000 1.465 51 I CB -0.609 37.024 38.000 -0.610 0.000 1.091 51 I HN 0.204 nan 8.210 nan 0.000 0.467 52 F N 1.942 121.904 119.950 0.020 0.000 2.693 52 F HA 0.442 4.970 4.527 0.001 0.000 0.303 52 F C 1.903 177.729 175.800 0.043 0.000 1.097 52 F CA 0.348 58.364 58.000 0.027 0.000 1.330 52 F CB 0.377 39.388 39.000 0.018 0.000 1.067 52 F HN 0.258 nan 8.300 nan 0.000 0.565 53 G N 0.203 109.099 108.800 0.159 0.000 2.153 53 G HA2 -0.226 3.735 3.960 0.001 0.000 0.252 53 G HA3 -0.226 3.735 3.960 0.001 0.000 0.252 53 G C 0.081 175.072 174.900 0.152 0.000 0.994 53 G CA -0.130 45.053 45.100 0.138 0.000 0.698 53 G HN 0.269 nan 8.290 nan 0.000 0.521 54 Q N 0.283 120.195 119.800 0.187 0.000 2.297 54 Q HA 0.635 4.976 4.340 0.001 0.000 0.268 54 Q C 0.546 176.654 176.000 0.179 0.000 1.045 54 Q CA 0.110 56.009 55.803 0.160 0.000 0.861 54 Q CB 1.473 30.296 28.738 0.143 0.000 1.344 54 Q HN 0.589 nan 8.270 nan 0.000 0.452 55 T N -1.659 112.995 114.554 0.168 0.000 2.910 55 T HA 0.413 4.764 4.350 0.001 0.000 0.293 55 T C 0.280 175.053 174.700 0.121 0.000 1.015 55 T CA -0.818 61.418 62.100 0.227 0.000 1.094 55 T CB 0.572 69.569 68.868 0.215 0.000 0.968 55 T HN 0.392 nan 8.240 nan 0.000 0.521 56 L N 2.920 124.162 121.223 0.031 0.000 2.490 56 L HA 0.278 4.619 4.340 0.001 0.000 0.274 56 L C 0.430 177.322 176.870 0.037 0.000 1.201 56 L CA 0.660 55.432 54.840 -0.113 0.000 0.869 56 L CB 0.388 42.195 42.059 -0.420 0.000 1.123 56 L HN 0.873 nan 8.230 nan 0.000 0.484 57 T N 7.256 121.825 114.554 0.026 0.000 2.747 57 T HA 0.485 4.835 4.350 0.001 0.000 0.301 57 T C 0.013 174.747 174.700 0.055 0.000 0.952 57 T CA 0.036 62.164 62.100 0.046 0.000 0.983 57 T CB -0.399 68.487 68.868 0.030 0.000 0.930 57 T HN 0.386 nan 8.240 nan 0.000 0.494 58 I N 3.957 124.577 120.570 0.082 0.000 2.433 58 I HA 0.579 4.750 4.170 0.001 0.000 0.292 58 I C 0.106 176.256 176.117 0.056 0.000 1.001 58 I CA -1.066 60.288 61.300 0.090 0.000 1.119 58 I CB 1.401 39.500 38.000 0.165 0.000 1.289 58 I HN 0.203 nan 8.210 nan 0.000 0.438 59 R N 4.158 124.664 120.500 0.011 0.000 2.621 59 R HA 0.371 4.712 4.340 0.001 0.000 0.284 59 R C -1.037 175.212 176.300 -0.085 0.000 0.998 59 R CA -0.810 55.278 56.100 -0.019 0.000 0.895 59 R CB 2.552 32.850 30.300 -0.003 0.000 1.195 59 R HN 0.669 nan 8.270 nan 0.000 0.450 60 E N 3.643 123.763 120.200 -0.133 0.000 2.197 60 E HA 0.276 4.627 4.350 0.001 0.000 0.281 60 E C -0.211 176.379 176.600 -0.017 0.000 0.995 60 E CA -0.525 55.764 56.400 -0.185 0.000 0.808 60 E CB 0.837 30.327 29.700 -0.351 0.000 1.093 60 E HN 0.216 nan 8.360 nan 0.000 0.394 61 M N 2.454 122.103 119.600 0.081 0.000 2.513 61 M HA 0.054 4.535 4.480 0.001 0.000 0.250 61 M C 1.079 177.508 176.300 0.215 0.000 1.145 61 M CA -0.271 55.091 55.300 0.103 0.000 0.948 61 M CB 0.494 33.120 32.600 0.044 0.000 1.405 61 M HN 0.635 nan 8.290 nan 0.000 0.546 62 Q N 0.701 120.551 119.800 0.084 0.000 2.389 62 Q HA 0.066 4.407 4.340 0.001 0.000 0.204 62 Q C -0.101 175.749 176.000 -0.249 0.000 0.944 62 Q CA 0.678 56.530 55.803 0.081 0.000 0.908 62 Q CB 0.243 28.996 28.738 0.025 0.000 1.002 62 Q HN 0.746 nan 8.270 nan 0.000 0.493 63 S N -1.577 113.784 115.700 -0.566 0.000 2.656 63 S HA 0.299 4.769 4.470 0.001 0.000 0.265 63 S C -0.259 173.967 174.600 -0.623 0.000 1.132 63 S CA -0.413 57.133 58.200 -1.089 0.000 0.819 63 S CB 0.604 63.483 63.200 -0.536 0.000 1.119 63 S HN -0.053 nan 8.310 nan 0.000 0.476 64 E N 0.687 120.622 120.200 -0.441 0.000 2.208 64 E HA 0.195 4.546 4.350 0.001 0.000 0.193 64 E C 2.095 178.625 176.600 -0.116 0.000 0.988 64 E CA 1.356 57.662 56.400 -0.157 0.000 0.828 64 E CB -0.431 29.227 29.700 -0.068 0.000 0.763 64 E HN 0.691 nan 8.360 nan 0.000 0.478 65 A N 0.468 123.211 122.820 -0.129 0.000 1.930 65 A HA -0.051 4.269 4.320 0.001 0.000 0.217 65 A C 2.370 179.923 177.584 -0.052 0.000 1.175 65 A CA 1.637 53.632 52.037 -0.069 0.000 0.627 65 A CB -1.027 17.929 19.000 -0.073 0.000 0.815 65 A HN 0.360 nan 8.150 nan 0.000 0.443 66 G N -0.626 108.122 108.800 -0.087 0.000 2.394 66 G HA2 0.078 4.038 3.960 0.001 0.000 0.215 66 G HA3 0.078 4.038 3.960 0.001 0.000 0.215 66 G C 1.728 176.612 174.900 -0.027 0.000 1.165 66 G CA 1.245 46.315 45.100 -0.051 0.000 0.784 66 G HN 0.746 nan 8.290 nan 0.000 0.535 67 A N 1.226 124.020 122.820 -0.043 0.000 1.902 67 A HA 0.262 4.583 4.320 0.001 0.000 0.217 67 A C 2.785 180.353 177.584 -0.028 0.000 1.181 67 A CA 2.232 54.250 52.037 -0.033 0.000 0.623 67 A CB -0.730 18.246 19.000 -0.041 0.000 0.818 67 A HN 0.739 nan 8.150 nan 0.000 0.443 68 A N -0.588 122.220 122.820 -0.019 0.000 1.930 68 A HA 0.168 4.489 4.320 0.001 0.000 0.217 68 A C 2.365 180.032 177.584 0.138 0.000 1.175 68 A CA 1.793 53.866 52.037 0.060 0.000 0.627 68 A CB -1.237 17.814 19.000 0.085 0.000 0.815 68 A HN 0.693 nan 8.150 nan 0.000 0.443 69 G N -0.573 108.286 108.800 0.099 0.000 2.408 69 G HA2 0.059 4.020 3.960 0.001 0.000 0.217 69 G HA3 0.059 4.020 3.960 0.001 0.000 0.217 69 G C 1.688 176.648 174.900 0.100 0.000 1.150 69 G CA 1.239 46.413 45.100 0.123 0.000 0.776 69 G HN 0.748 nan 8.290 nan 0.000 0.542 70 A N 0.078 122.933 122.820 0.060 0.000 1.930 70 A HA 0.166 4.486 4.320 0.001 0.000 0.217 70 A C 2.561 180.188 177.584 0.073 0.000 1.175 70 A CA 1.555 53.617 52.037 0.042 0.000 0.627 70 A CB -0.448 18.563 19.000 0.019 0.000 0.815 70 A HN 0.224 nan 8.150 nan 0.000 0.443 71 V N -0.467 119.509 119.914 0.102 0.000 2.358 71 V HA -0.290 3.831 4.120 0.001 0.000 0.246 71 V C 2.418 178.649 176.094 0.229 0.000 1.047 71 V CA 2.212 64.598 62.300 0.144 0.000 1.035 71 V CB -0.995 30.922 31.823 0.157 0.000 0.658 71 V HN 0.846 nan 8.190 nan 0.000 0.452 72 H N 0.081 119.229 119.070 0.129 0.000 2.319 72 H HA -0.154 4.402 4.556 0.001 0.000 0.299 72 H C 2.273 177.657 175.328 0.094 0.000 1.092 72 H CA 1.425 57.548 56.048 0.126 0.000 1.302 72 H CB -0.169 29.664 29.762 0.119 0.000 1.373 72 H HN 0.450 nan 8.280 nan 0.000 0.497 73 G N 0.111 108.920 108.800 0.015 0.000 2.421 73 G HA2 -0.270 3.691 3.960 0.001 0.000 0.216 73 G HA3 -0.270 3.691 3.960 0.001 0.000 0.216 73 G C 1.881 176.784 174.900 0.006 0.000 1.171 73 G CA 0.813 45.866 45.100 -0.077 0.000 0.775 73 G HN 0.565 nan 8.290 nan 0.000 0.543 74 A N 0.501 123.354 122.820 0.056 0.000 1.902 74 A HA 0.092 4.412 4.320 0.001 0.000 0.217 74 A C 2.453 180.112 177.584 0.125 0.000 1.181 74 A CA 1.312 53.391 52.037 0.069 0.000 0.623 74 A CB -0.411 18.634 19.000 0.074 0.000 0.818 74 A HN 0.356 nan 8.150 nan 0.000 0.443 75 L N -0.838 120.500 121.223 0.193 0.000 2.056 75 L HA -0.176 4.165 4.340 0.001 0.000 0.207 75 L C 3.100 180.134 176.870 0.273 0.000 1.078 75 L CA 1.032 56.059 54.840 0.311 0.000 0.749 75 L CB -0.536 41.692 42.059 0.281 0.000 0.901 75 L HN 0.429 nan 8.230 nan 0.000 0.433 76 A N 0.010 122.940 122.820 0.183 0.000 1.978 76 A HA -0.122 4.199 4.320 0.001 0.000 0.220 76 A C 2.123 179.721 177.584 0.023 0.000 1.170 76 A CA 1.687 53.792 52.037 0.114 0.000 0.636 76 A CB -0.575 18.438 19.000 0.022 0.000 0.810 76 A HN 0.393 nan 8.150 nan 0.000 0.448 77 A N -1.499 121.317 122.820 -0.007 0.000 2.411 77 A HA 0.456 4.777 4.320 0.001 0.000 0.251 77 A C 1.491 179.002 177.584 -0.121 0.000 1.317 77 A CA 0.872 52.872 52.037 -0.062 0.000 0.904 77 A CB -1.238 17.730 19.000 -0.053 0.000 0.993 77 A HN 1.888 nan 8.150 nan 0.000 0.504 78 G N -1.776 106.888 108.800 -0.226 0.000 2.147 78 G HA2 0.102 4.063 3.960 0.001 0.000 0.244 78 G HA3 0.102 4.063 3.960 0.001 0.000 0.244 78 G C 0.254 175.047 174.900 -0.180 0.000 1.005 78 G CA 0.333 45.111 45.100 -0.537 0.000 0.713 78 G HN 1.713 nan 8.290 nan 0.000 0.515 79 A N 0.049 122.942 122.820 0.121 0.000 2.318 79 A HA 0.789 5.110 4.320 0.001 0.000 0.324 79 A C 0.443 178.214 177.584 0.310 0.000 1.170 79 A CA -0.654 51.484 52.037 0.169 0.000 0.810 79 A CB 0.884 19.924 19.000 0.066 0.000 1.198 79 A HN 0.744 nan 8.150 nan 0.000 0.484 80 L N 2.532 123.900 121.223 0.242 0.000 2.462 80 L HA 0.241 4.582 4.340 0.001 0.000 0.272 80 L C 0.160 177.100 176.870 0.117 0.000 1.166 80 L CA 0.435 55.356 54.840 0.134 0.000 0.880 80 L CB 0.400 42.541 42.059 0.138 0.000 1.142 80 L HN 0.765 nan 8.230 nan 0.000 0.473 81 T N 1.250 115.865 114.554 0.102 0.000 2.907 81 T HA 0.542 4.893 4.350 0.001 0.000 0.292 81 T C -0.287 174.473 174.700 0.100 0.000 1.043 81 T CA -0.531 61.628 62.100 0.098 0.000 1.003 81 T CB 2.386 71.321 68.868 0.110 0.000 1.084 81 T HN 0.582 nan 8.240 nan 0.000 0.483 82 T N 0.310 114.894 114.554 0.050 0.000 2.841 82 T HA 0.784 5.135 4.350 0.001 0.000 0.296 82 T C -1.341 173.198 174.700 -0.268 0.000 1.166 82 T CA -0.346 61.744 62.100 -0.017 0.000 1.007 82 T CB 2.165 71.094 68.868 0.101 0.000 1.253 82 T HN 0.743 nan 8.240 nan 0.000 0.511 83 T N 0.981 115.235 114.554 -0.501 0.000 2.821 83 T HA 0.728 5.079 4.350 0.001 0.000 0.306 83 T C -2.062 172.132 174.700 -0.843 0.000 1.313 83 T CA -0.511 61.161 62.100 -0.714 0.000 1.012 83 T CB 0.755 69.274 68.868 -0.582 0.000 1.298 83 T HN 0.420 nan 8.240 nan 0.000 0.502 84 F N 1.297 121.248 119.950 0.001 0.000 2.529 84 F HA 0.750 5.278 4.527 0.001 0.000 0.320 84 F C 0.616 176.406 175.800 -0.016 0.000 1.118 84 F CA -0.615 57.419 58.000 0.056 0.000 0.915 84 F CB 2.478 41.540 39.000 0.103 0.000 1.161 84 F HN 0.622 nan 8.300 nan 0.000 0.445 85 T N 1.038 115.662 114.554 0.116 0.000 2.649 85 T HA 0.888 5.239 4.350 0.001 0.000 0.305 85 T C -1.881 172.823 174.700 0.006 0.000 1.409 85 T CA -0.143 61.983 62.100 0.042 0.000 1.021 85 T CB 1.476 70.322 68.868 -0.036 0.000 1.726 85 T HN 1.268 nan 8.240 nan 0.000 0.475 86 A N 0.162 122.976 122.820 -0.009 0.000 2.522 86 A HA 0.740 5.061 4.320 0.001 0.000 0.291 86 A C 0.597 178.167 177.584 -0.024 0.000 1.039 86 A CA 0.713 52.727 52.037 -0.037 0.000 0.643 86 A CB 0.247 19.215 19.000 -0.053 0.000 1.310 86 A HN 2.092 nan 8.150 nan 0.000 0.436 87 S N -0.654 115.024 115.700 -0.037 0.000 4.105 87 S HA -0.367 4.104 4.470 0.001 0.000 0.539 87 S C 1.727 176.319 174.600 -0.012 0.000 1.658 87 S CA 2.497 60.683 58.200 -0.025 0.000 3.958 87 S CB -1.056 62.134 63.200 -0.016 0.000 1.434 87 S HN 1.296 nan 8.310 nan 0.000 0.537 88 Q N 0.918 120.720 119.800 0.004 0.000 2.152 88 Q HA -0.088 4.253 4.340 0.001 0.000 0.206 88 Q C 2.367 178.382 176.000 0.024 0.000 0.985 88 Q CA 2.080 57.893 55.803 0.017 0.000 0.863 88 Q CB -1.374 27.388 28.738 0.041 0.000 0.904 88 Q HN 0.823 nan 8.270 nan 0.000 0.422 89 G N 1.043 109.866 108.800 0.038 0.000 2.402 89 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 89 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 89 G C 1.489 176.387 174.900 -0.003 0.000 1.162 89 G CA 0.640 45.763 45.100 0.038 0.000 0.777 89 G HN 0.318 nan 8.290 nan 0.000 0.539 90 L N 0.671 121.886 121.223 -0.014 0.000 2.083 90 L HA 0.091 4.432 4.340 0.001 0.000 0.209 90 L C 2.677 179.530 176.870 -0.027 0.000 1.083 90 L CA 1.263 56.087 54.840 -0.027 0.000 0.752 90 L CB -0.395 41.637 42.059 -0.045 0.000 0.899 90 L HN 0.203 nan 8.230 nan 0.000 0.433 91 L N -1.265 119.944 121.223 -0.023 0.000 2.079 91 L HA -0.248 4.093 4.340 0.001 0.000 0.210 91 L C 2.395 179.260 176.870 -0.010 0.000 1.081 91 L CA 1.148 55.977 54.840 -0.017 0.000 0.752 91 L CB -0.629 41.423 42.059 -0.012 0.000 0.896 91 L HN 0.302 nan 8.230 nan 0.000 0.433 92 L N -0.904 120.311 121.223 -0.014 0.000 2.362 92 L HA -0.136 4.205 4.340 0.001 0.000 0.219 92 L C 2.284 179.150 176.870 -0.007 0.000 1.134 92 L CA 0.881 55.709 54.840 -0.020 0.000 0.807 92 L CB -0.283 41.749 42.059 -0.045 0.000 0.927 92 L HN 0.400 nan 8.230 nan 0.000 0.447 93 M N -1.117 118.485 119.600 0.002 0.000 2.509 93 M HA -0.000 4.481 4.480 0.001 0.000 0.250 93 M C 2.058 178.386 176.300 0.047 0.000 1.132 93 M CA 0.638 55.962 55.300 0.041 0.000 1.080 93 M CB 0.129 32.774 32.600 0.074 0.000 1.408 93 M HN 0.169 nan 8.290 nan 0.000 0.484 94 I N 1.197 121.776 120.570 0.015 0.000 2.145 94 I HA -0.261 3.910 4.170 0.001 0.000 0.244 94 I C -0.585 175.622 176.117 0.149 0.000 1.075 94 I CA 1.888 63.199 61.300 0.018 0.000 1.332 94 I CB -1.786 36.241 38.000 0.045 0.000 1.033 94 I HN 0.155 nan 8.210 nan 0.000 0.410 95 P HA -0.156 nan 4.420 nan 0.000 0.215 95 P C 1.254 178.660 177.300 0.176 0.000 1.157 95 P CA 1.501 64.704 63.100 0.172 0.000 0.874 95 P CB -0.109 31.638 31.700 0.079 0.000 0.790 96 N N -1.464 117.312 118.700 0.127 0.000 2.331 96 N HA -0.018 4.723 4.740 0.001 0.000 0.180 96 N C 1.635 177.199 175.510 0.090 0.000 1.019 96 N CA 0.966 54.082 53.050 0.110 0.000 0.881 96 N CB -0.325 38.253 38.487 0.151 0.000 0.972 96 N HN 0.208 nan 8.380 nan 0.000 0.435 97 M N -0.643 118.996 119.600 0.066 0.000 2.159 97 M HA -0.172 4.309 4.480 0.001 0.000 0.263 97 M C 1.582 177.941 176.300 0.100 0.000 1.063 97 M CA 1.409 56.697 55.300 -0.019 0.000 1.110 97 M CB -0.397 31.895 32.600 -0.513 0.000 1.374 97 M HN 0.117 nan 8.290 nan 0.000 0.411 98 Y N 0.433 120.752 120.300 0.032 0.000 2.224 98 Y HA -0.207 4.343 4.550 0.001 0.000 0.289 98 Y C 2.533 178.441 175.900 0.013 0.000 1.146 98 Y CA 1.169 59.292 58.100 0.038 0.000 1.182 98 Y CB -0.207 38.264 38.460 0.019 0.000 0.983 98 Y HN 0.062 nan 8.280 nan 0.000 0.524 99 K N 0.185 120.656 120.400 0.118 0.000 2.062 99 K HA -0.100 4.221 4.320 0.001 0.000 0.205 99 K C 2.005 178.490 176.600 -0.192 0.000 1.051 99 K CA 1.216 57.466 56.287 -0.061 0.000 0.941 99 K CB -0.522 31.860 32.500 -0.197 0.000 0.719 99 K HN 0.378 nan 8.250 nan 0.000 0.440 100 I N 1.425 121.878 120.570 -0.194 0.000 2.226 100 I HA -0.292 3.879 4.170 0.001 0.000 0.245 100 I C 2.517 178.552 176.117 -0.138 0.000 1.100 100 I CA 1.537 62.743 61.300 -0.157 0.000 1.374 100 I CB -0.349 37.647 38.000 -0.007 0.000 1.057 100 I HN 0.158 nan 8.210 nan 0.000 0.413 101 S N 0.656 116.308 115.700 -0.079 0.000 2.395 101 S HA -0.038 4.433 4.470 0.001 0.000 0.225 101 S C 2.193 176.790 174.600 -0.006 0.000 1.027 101 S CA 0.784 58.922 58.200 -0.104 0.000 0.965 101 S CB -1.106 62.101 63.200 0.012 0.000 0.812 101 S HN 0.445 nan 8.310 nan 0.000 0.482 102 G N 1.375 110.199 108.800 0.040 0.000 2.462 102 G HA2 -0.113 3.848 3.960 0.001 0.000 0.220 102 G HA3 -0.113 3.848 3.960 0.001 0.000 0.220 102 G C 1.200 176.110 174.900 0.016 0.000 1.121 102 G CA 0.661 45.793 45.100 0.054 0.000 0.758 102 G HN 0.677 nan 8.290 nan 0.000 0.559 103 E N -0.162 120.037 120.200 -0.003 0.000 2.465 103 E HA 0.340 4.691 4.350 0.001 0.000 0.195 103 E C 0.225 176.793 176.600 -0.054 0.000 1.028 103 E CA -0.482 55.922 56.400 0.007 0.000 0.899 103 E CB 0.104 29.857 29.700 0.088 0.000 1.032 103 E HN 0.256 nan 8.360 nan 0.000 0.468 104 L N 1.565 122.715 121.223 -0.122 0.000 3.823 104 L HA -0.240 4.101 4.340 0.001 0.000 0.525 104 L C -0.704 176.074 176.870 -0.154 0.000 1.247 104 L CA 0.312 55.020 54.840 -0.220 0.000 0.776 104 L CB -1.350 40.470 42.059 -0.400 0.000 1.443 104 L HN 0.308 nan 8.230 nan 0.000 0.831 105 L N 2.543 123.688 121.223 -0.131 0.000 2.317 105 L HA 0.439 4.780 4.340 0.001 0.000 0.281 105 L C -1.361 175.383 176.870 -0.210 0.000 1.024 105 L CA -1.662 53.137 54.840 -0.068 0.000 0.810 105 L CB 1.488 43.574 42.059 0.046 0.000 1.240 105 L HN -0.056 nan 8.230 nan 0.000 0.427 106 P HA 0.051 nan 4.420 nan 0.000 0.237 106 P C 0.295 177.429 177.300 -0.276 0.000 1.723 106 P CA -0.015 62.874 63.100 -0.352 0.000 0.882 106 P CB -0.060 31.320 31.700 -0.534 0.000 1.810 107 G N -0.111 108.560 108.800 -0.215 0.000 2.539 107 G HA2 0.412 4.373 3.960 0.001 0.000 0.258 107 G HA3 0.412 4.373 3.960 0.001 0.000 0.258 107 G C -0.814 174.023 174.900 -0.104 0.000 1.202 107 G CA -0.205 44.847 45.100 -0.079 0.000 0.851 107 G HN 0.129 nan 8.290 nan 0.000 0.556 108 V N 1.572 121.494 119.914 0.013 0.000 2.524 108 V HA 0.351 4.472 4.120 0.001 0.000 0.297 108 V C -0.784 175.394 176.094 0.140 0.000 1.035 108 V CA -0.572 61.671 62.300 -0.095 0.000 0.867 108 V CB 1.211 32.677 31.823 -0.595 0.000 1.004 108 V HN 0.659 nan 8.190 nan 0.000 0.426 109 F N 3.110 122.998 119.950 -0.103 0.000 2.415 109 F HA 0.521 5.049 4.527 0.002 0.000 0.348 109 F C 0.430 176.128 175.800 -0.169 0.000 1.119 109 F CA -0.696 57.250 58.000 -0.090 0.000 1.069 109 F CB 1.339 40.346 39.000 0.011 0.000 1.124 109 F HN 0.542 nan 8.300 nan 0.000 0.472 110 H N 2.039 121.274 119.070 0.274 0.000 2.504 110 H HA 0.473 5.030 4.556 0.001 0.000 0.322 110 H C -0.813 174.626 175.328 0.185 0.000 1.055 110 H CA -0.527 55.725 56.048 0.339 0.000 1.231 110 H CB 1.541 31.648 29.762 0.575 0.000 1.417 110 H HN 0.233 nan 8.280 nan 0.000 0.472 111 V N 3.184 123.161 119.914 0.105 0.000 2.540 111 V HA 0.233 4.354 4.120 0.001 0.000 0.302 111 V C 0.052 175.904 176.094 -0.404 0.000 1.035 111 V CA -1.003 61.255 62.300 -0.070 0.000 0.873 111 V CB 1.885 33.694 31.823 -0.022 0.000 0.992 111 V HN 0.925 nan 8.190 nan 0.000 0.428 112 T N 1.859 116.167 114.554 -0.410 0.000 2.875 112 T HA 0.616 4.967 4.350 0.001 0.000 0.307 112 T C 0.332 174.892 174.700 -0.233 0.000 1.013 112 T CA -0.164 61.608 62.100 -0.547 0.000 0.970 112 T CB 0.784 69.438 68.868 -0.356 0.000 0.986 112 T HN 1.037 nan 8.240 nan 0.000 0.536 113 A N 4.264 126.994 122.820 -0.150 0.000 2.563 113 A HA 0.338 4.659 4.320 0.001 0.000 0.256 113 A C 0.705 178.295 177.584 0.011 0.000 1.056 113 A CA -0.105 51.909 52.037 -0.037 0.000 0.775 113 A CB -0.215 18.857 19.000 0.119 0.000 0.973 113 A HN 0.979 nan 8.150 nan 0.000 0.516 114 R N 2.562 123.054 120.500 -0.014 0.000 2.771 114 R HA 0.640 4.981 4.340 0.001 0.000 0.274 114 R C -0.070 176.236 176.300 0.010 0.000 0.987 114 R CA -0.226 55.887 56.100 0.020 0.000 0.908 114 R CB 1.544 31.846 30.300 0.003 0.000 1.213 114 R HN 0.927 nan 8.270 nan 0.000 0.468 115 A N 3.905 126.746 122.820 0.035 0.000 2.507 115 A HA 0.234 4.554 4.320 0.001 0.000 0.235 115 A C 0.161 177.748 177.584 0.006 0.000 1.070 115 A CA -0.070 51.981 52.037 0.023 0.000 0.768 115 A CB 0.127 19.154 19.000 0.046 0.000 1.011 115 A HN 0.527 nan 8.150 nan 0.000 0.502 116 I N 0.869 121.440 120.570 0.002 0.000 2.488 116 I HA 0.370 4.541 4.170 0.001 0.000 0.299 116 I C 0.971 177.078 176.117 -0.016 0.000 0.984 116 I CA -0.266 61.030 61.300 -0.007 0.000 1.250 116 I CB 1.133 39.131 38.000 -0.003 0.000 1.389 116 I HN 0.725 nan 8.210 nan 0.000 0.488 117 A N 4.526 127.328 122.820 -0.030 0.000 2.444 117 A HA 0.578 4.899 4.320 0.001 0.000 0.273 117 A C 0.460 178.016 177.584 -0.047 0.000 1.136 117 A CA 0.447 52.451 52.037 -0.056 0.000 0.799 117 A CB 0.174 19.140 19.000 -0.057 0.000 1.081 117 A HN 0.987 nan 8.150 nan 0.000 0.509 118 A N 2.091 124.875 122.820 -0.060 0.000 2.085 118 A HA 0.368 4.689 4.320 0.001 0.000 0.202 118 A C 1.586 179.174 177.584 0.006 0.000 2.124 118 A CA 0.516 52.557 52.037 0.006 0.000 1.584 118 A CB -0.500 18.551 19.000 0.086 0.000 1.136 118 A HN 1.039 nan 8.150 nan 0.000 0.493 119 H N 0.328 119.417 119.070 0.032 0.000 2.524 119 H HA 0.468 5.025 4.556 0.001 0.000 0.282 119 H C 0.345 175.717 175.328 0.073 0.000 1.016 119 H CA 1.366 57.448 56.048 0.058 0.000 1.270 119 H CB -0.213 29.586 29.762 0.061 0.000 1.394 119 H HN 0.754 nan 8.280 nan 0.000 0.568 120 A N 0.580 122.984 122.820 -0.693 0.000 2.601 120 A HA 0.479 4.800 4.320 0.001 0.000 0.291 120 A C -1.470 175.933 177.584 -0.301 0.000 1.075 120 A CA -0.775 50.989 52.037 -0.455 0.000 0.671 120 A CB 0.945 19.630 19.000 -0.524 0.000 1.277 120 A HN 0.271 nan 8.150 nan 0.000 0.417 121 L N 0.850 121.983 121.223 -0.150 0.000 2.357 121 L HA 0.811 5.151 4.340 0.001 0.000 0.273 121 L C -0.001 176.837 176.870 -0.054 0.000 1.080 121 L CA -0.044 54.744 54.840 -0.087 0.000 0.803 121 L CB 1.561 43.588 42.059 -0.052 0.000 1.174 121 L HN 0.870 nan 8.230 nan 0.000 0.443 122 S N 3.917 119.605 115.700 -0.020 0.000 2.572 122 S HA 0.361 4.832 4.470 0.001 0.000 0.274 122 S C 0.266 174.871 174.600 0.008 0.000 1.150 122 S CA -0.835 57.394 58.200 0.048 0.000 0.944 122 S CB 1.305 64.569 63.200 0.105 0.000 1.071 122 S HN 0.691 nan 8.310 nan 0.000 0.479 123 I N 1.137 121.650 120.570 -0.095 0.000 3.793 123 I HA 0.455 4.626 4.170 0.001 0.000 0.315 123 I C -0.483 175.514 176.117 -0.200 0.000 1.275 123 I CA -0.187 61.000 61.300 -0.189 0.000 1.214 123 I CB -0.211 37.614 38.000 -0.293 0.000 1.018 123 I HN 0.295 nan 8.210 nan 0.000 0.439 124 F N 2.076 122.094 119.950 0.114 0.000 2.368 124 F HA 0.644 5.172 4.527 0.001 0.000 0.315 124 F C 1.443 177.336 175.800 0.154 0.000 1.145 124 F CA -0.466 57.630 58.000 0.160 0.000 1.095 124 F CB 0.404 39.399 39.000 -0.010 0.000 1.286 124 F HN -0.120 nan 8.300 nan 0.000 0.530 125 G N 0.451 109.496 108.800 0.410 0.000 2.390 125 G HA2 0.497 4.458 3.960 0.001 0.000 0.270 125 G HA3 0.497 4.458 3.960 0.001 0.000 0.270 125 G C -1.436 173.514 174.900 0.082 0.000 1.211 125 G CA -0.171 45.064 45.100 0.224 0.000 0.842 125 G HN 0.728 nan 8.290 nan 0.000 0.519 126 D N -1.370 119.039 120.400 0.015 0.000 2.764 126 D HA 0.055 4.696 4.640 0.001 0.000 0.293 126 D C -0.345 175.925 176.300 -0.050 0.000 1.287 126 D CA -0.755 53.157 54.000 -0.147 0.000 0.768 126 D CB 0.148 40.860 40.800 -0.146 0.000 1.288 126 D HN 0.431 nan 8.370 nan 0.000 0.426 127 H N -0.531 118.431 119.070 -0.180 0.000 2.519 127 H HA 0.192 4.748 4.556 0.001 0.000 0.289 127 H C 0.939 176.112 175.328 -0.258 0.000 1.040 127 H CA -0.110 55.729 56.048 -0.349 0.000 1.165 127 H CB 0.552 29.929 29.762 -0.641 0.000 1.462 127 H HN 0.279 nan 8.280 nan 0.000 0.555 128 Q N 1.016 120.823 119.800 0.012 0.000 2.112 128 Q HA -0.193 4.148 4.340 0.001 0.000 0.206 128 Q C 1.758 177.754 176.000 -0.007 0.000 0.987 128 Q CA 1.827 57.657 55.803 0.045 0.000 0.858 128 Q CB 0.069 28.818 28.738 0.019 0.000 0.905 128 Q HN 0.680 nan 8.270 nan 0.000 0.420 129 D N 0.813 121.172 120.400 -0.068 0.000 2.097 129 D HA -0.182 4.459 4.640 0.001 0.000 0.197 129 D C 1.889 178.085 176.300 -0.174 0.000 0.984 129 D CA 1.363 55.305 54.000 -0.097 0.000 0.826 129 D CB -0.617 40.128 40.800 -0.093 0.000 0.973 129 D HN 0.465 nan 8.370 nan 0.000 0.460 130 I N -2.215 118.153 120.570 -0.336 0.000 2.394 130 I HA -0.131 4.040 4.170 0.001 0.000 0.251 130 I C 2.361 178.267 176.117 -0.351 0.000 1.136 130 I CA 0.945 61.941 61.300 -0.507 0.000 1.425 130 I CB -1.119 36.224 38.000 -1.095 0.000 1.079 130 I HN -0.086 nan 8.210 nan 0.000 0.425 131 Y N 1.275 121.417 120.300 -0.263 0.000 2.352 131 Y HA 0.018 4.569 4.550 0.001 0.000 0.292 131 Y C 2.703 178.542 175.900 -0.101 0.000 1.136 131 Y CA 0.364 58.365 58.100 -0.164 0.000 1.227 131 Y CB -0.153 38.231 38.460 -0.128 0.000 0.991 131 Y HN 0.286 nan 8.280 nan 0.000 0.545 132 A N -0.219 122.629 122.820 0.048 0.000 2.172 132 A HA 0.064 4.385 4.320 0.001 0.000 0.216 132 A C 1.920 179.486 177.584 -0.031 0.000 1.154 132 A CA 1.365 53.408 52.037 0.009 0.000 0.701 132 A CB -0.544 18.450 19.000 -0.009 0.000 0.789 132 A HN 0.332 nan 8.150 nan 0.000 0.465 133 A N -0.158 122.615 122.820 -0.078 0.000 2.503 133 A HA 0.267 4.588 4.320 0.001 0.000 0.263 133 A C 1.684 179.184 177.584 -0.140 0.000 1.258 133 A CA 0.331 52.275 52.037 -0.155 0.000 0.936 133 A CB -0.295 18.561 19.000 -0.240 0.000 1.070 133 A HN 0.610 nan 8.150 nan 0.000 0.522 134 R N 0.448 120.935 120.500 -0.022 0.000 2.193 134 R HA -0.146 4.195 4.340 0.001 0.000 0.229 134 R C 1.326 177.615 176.300 -0.018 0.000 1.110 134 R CA 1.560 57.692 56.100 0.053 0.000 0.988 134 R CB -0.218 30.220 30.300 0.231 0.000 0.871 134 R HN 0.512 nan 8.270 nan 0.000 0.458 135 Q N 1.319 121.082 119.800 -0.063 0.000 2.360 135 Q HA -0.005 4.336 4.340 0.001 0.000 0.202 135 Q C 1.152 177.013 176.000 -0.233 0.000 0.915 135 Q CA 1.195 56.956 55.803 -0.070 0.000 0.943 135 Q CB 0.286 29.041 28.738 0.029 0.000 1.064 135 Q HN 0.437 nan 8.270 nan 0.000 0.511 136 T N -2.816 111.471 114.554 -0.445 0.000 3.007 136 T HA 0.182 4.532 4.350 0.001 0.000 0.270 136 T C 1.456 175.970 174.700 -0.311 0.000 1.107 136 T CA 1.146 62.750 62.100 -0.826 0.000 1.118 136 T CB -0.173 68.262 68.868 -0.721 0.000 0.889 136 T HN 0.550 nan 8.240 nan 0.000 0.506 137 G N 0.236 108.981 108.800 -0.092 0.000 2.176 137 G HA2 -0.155 3.806 3.960 0.001 0.000 0.232 137 G HA3 -0.155 3.806 3.960 0.001 0.000 0.232 137 G C -0.177 174.842 174.900 0.199 0.000 0.986 137 G CA -0.330 44.802 45.100 0.053 0.000 0.643 137 G HN 0.483 nan 8.290 nan 0.000 0.522 138 F N 1.855 121.711 119.950 -0.158 0.000 2.389 138 F HA 0.691 5.219 4.527 0.001 0.000 0.337 138 F C 1.037 176.694 175.800 -0.239 0.000 1.112 138 F CA -0.247 57.614 58.000 -0.231 0.000 1.192 138 F CB 1.270 40.084 39.000 -0.310 0.000 1.185 138 F HN 0.327 nan 8.300 nan 0.000 0.552 139 A N 4.715 127.310 122.820 -0.375 0.000 2.351 139 A HA 0.636 4.957 4.320 0.001 0.000 0.257 139 A C -0.467 176.921 177.584 -0.327 0.000 1.087 139 A CA -0.381 51.309 52.037 -0.580 0.000 0.798 139 A CB 0.194 18.221 19.000 -1.622 0.000 1.033 139 A HN 0.773 nan 8.150 nan 0.000 0.488 140 M N 1.960 121.511 119.600 -0.083 0.000 2.151 140 M HA 0.376 4.857 4.480 0.001 0.000 0.290 140 M C -1.323 175.143 176.300 0.277 0.000 0.965 140 M CA -0.339 55.086 55.300 0.208 0.000 0.930 140 M CB 1.819 34.629 32.600 0.348 0.000 1.560 140 M HN 0.549 nan 8.290 nan 0.000 0.438 141 L N 3.374 124.767 121.223 0.284 0.000 2.325 141 L HA 0.910 5.251 4.340 0.001 0.000 0.281 141 L C -0.790 175.992 176.870 -0.145 0.000 1.004 141 L CA -0.167 54.758 54.840 0.142 0.000 0.823 141 L CB 1.581 43.778 42.059 0.230 0.000 1.236 141 L HN 0.785 nan 8.230 nan 0.000 0.415 142 A N 3.226 125.809 122.820 -0.396 0.000 2.312 142 A HA 0.812 5.133 4.320 0.001 0.000 0.326 142 A C -0.422 176.991 177.584 -0.285 0.000 1.172 142 A CA -0.202 51.341 52.037 -0.824 0.000 0.821 142 A CB 0.781 19.271 19.000 -0.849 0.000 1.166 142 A HN 0.807 nan 8.150 nan 0.000 0.493 143 S N 0.580 116.187 115.700 -0.155 0.000 2.503 143 S HA 0.567 5.038 4.470 0.001 0.000 0.301 143 S C 0.304 174.944 174.600 0.067 0.000 1.087 143 S CA 0.080 58.297 58.200 0.029 0.000 1.042 143 S CB 1.586 64.914 63.200 0.213 0.000 1.043 143 S HN 1.328 nan 8.310 nan 0.000 0.489 144 S N 0.212 115.969 115.700 0.095 0.000 2.593 144 S HA 0.455 4.926 4.470 0.001 0.000 0.236 144 S C 0.306 174.995 174.600 0.148 0.000 0.991 144 S CA 0.065 58.351 58.200 0.143 0.000 0.963 144 S CB -0.675 62.614 63.200 0.149 0.000 0.865 144 S HN 1.341 nan 8.310 nan 0.000 0.488 145 S N -0.877 114.898 115.700 0.126 0.000 2.615 145 S HA 0.528 4.999 4.470 0.001 0.000 0.269 145 S C 0.575 175.218 174.600 0.072 0.000 1.161 145 S CA -0.359 57.907 58.200 0.110 0.000 0.817 145 S CB 0.797 64.061 63.200 0.108 0.000 1.131 145 S HN -0.013 nan 8.310 nan 0.000 0.467 146 V N 1.250 121.201 119.914 0.061 0.000 2.332 146 V HA -0.175 3.946 4.120 0.001 0.000 0.248 146 V C 2.904 179.019 176.094 0.035 0.000 1.055 146 V CA 2.600 64.913 62.300 0.021 0.000 1.038 146 V CB -1.109 30.739 31.823 0.042 0.000 0.651 146 V HN 0.977 nan 8.190 nan 0.000 0.450 147 Q N 0.540 120.381 119.800 0.069 0.000 2.084 147 Q HA -0.216 4.125 4.340 0.001 0.000 0.202 147 Q C 2.098 178.179 176.000 0.136 0.000 0.978 147 Q CA 1.998 57.857 55.803 0.092 0.000 0.844 147 Q CB -0.342 28.460 28.738 0.106 0.000 0.898 147 Q HN 0.695 nan 8.270 nan 0.000 0.426 148 E N -0.727 119.548 120.200 0.124 0.000 2.204 148 E HA -0.122 4.229 4.350 0.001 0.000 0.194 148 E C 1.796 178.407 176.600 0.019 0.000 0.989 148 E CA 0.635 57.082 56.400 0.079 0.000 0.824 148 E CB -0.136 29.608 29.700 0.073 0.000 0.756 148 E HN 0.501 nan 8.360 nan 0.000 0.477 149 A N 1.466 124.301 122.820 0.025 0.000 1.908 149 A HA -0.249 4.072 4.320 0.001 0.000 0.218 149 A C 2.076 179.666 177.584 0.008 0.000 1.181 149 A CA 1.737 53.774 52.037 0.001 0.000 0.627 149 A CB -0.769 18.036 19.000 -0.326 0.000 0.818 149 A HN 0.376 nan 8.150 nan 0.000 0.445 150 H N 0.280 119.323 119.070 -0.045 0.000 2.293 150 H HA -0.147 4.410 4.556 0.001 0.000 0.300 150 H C 1.445 176.754 175.328 -0.031 0.000 1.082 150 H CA 2.077 58.118 56.048 -0.012 0.000 1.308 150 H CB -0.320 29.442 29.762 -0.001 0.000 1.375 150 H HN 0.389 nan 8.280 nan 0.000 0.495 151 D N 0.529 121.010 120.400 0.136 0.000 2.104 151 D HA -0.148 4.493 4.640 0.001 0.000 0.194 151 D C 2.434 178.620 176.300 -0.190 0.000 0.994 151 D CA 1.012 55.038 54.000 0.043 0.000 0.830 151 D CB -0.193 40.694 40.800 0.145 0.000 0.959 151 D HN 0.342 nan 8.370 nan 0.000 0.452 152 M N 0.406 119.828 119.600 -0.296 0.000 2.229 152 M HA 0.041 4.522 4.480 0.001 0.000 0.264 152 M C 2.258 178.251 176.300 -0.512 0.000 1.063 152 M CA 0.588 55.656 55.300 -0.388 0.000 1.114 152 M CB -1.079 31.323 32.600 -0.330 0.000 1.387 152 M HN -0.025 nan 8.290 nan 0.000 0.420 153 A N 0.424 122.869 122.820 -0.626 0.000 1.908 153 A HA -0.177 4.143 4.320 0.001 0.000 0.218 153 A C 2.230 179.780 177.584 -0.056 0.000 1.181 153 A CA 1.503 53.349 52.037 -0.318 0.000 0.627 153 A CB -0.921 18.030 19.000 -0.081 0.000 0.818 153 A HN 0.416 nan 8.150 nan 0.000 0.445 154 L N -0.092 121.026 121.223 -0.176 0.000 2.017 154 L HA -0.092 4.249 4.340 0.001 0.000 0.208 154 L C 2.404 179.173 176.870 -0.169 0.000 1.073 154 L CA 1.916 56.666 54.840 -0.150 0.000 0.745 154 L CB -0.634 41.311 42.059 -0.190 0.000 0.894 154 L HN 0.149 nan 8.230 nan 0.000 0.432 155 V N 0.240 120.041 119.914 -0.188 0.000 2.332 155 V HA -0.327 3.794 4.120 0.001 0.000 0.248 155 V C 2.825 178.683 176.094 -0.392 0.000 1.055 155 V CA 1.692 63.862 62.300 -0.216 0.000 1.038 155 V CB -1.429 30.313 31.823 -0.135 0.000 0.651 155 V HN 0.627 nan 8.190 nan 0.000 0.450 156 A N -1.128 121.464 122.820 -0.379 0.000 1.883 156 A HA -0.269 4.052 4.320 0.001 0.000 0.217 156 A C 2.150 179.311 177.584 -0.705 0.000 1.186 156 A CA 1.974 53.643 52.037 -0.612 0.000 0.624 156 A CB -0.815 18.038 19.000 -0.246 0.000 0.822 156 A HN 0.670 nan 8.150 nan 0.000 0.444 157 H N -0.406 118.437 119.070 -0.379 0.000 2.321 157 H HA -0.044 4.513 4.556 0.001 0.000 0.300 157 H C 2.172 177.232 175.328 -0.447 0.000 1.087 157 H CA 1.773 57.627 56.048 -0.323 0.000 1.319 157 H CB -0.293 29.355 29.762 -0.190 0.000 1.379 157 H HN 0.407 nan 8.280 nan 0.000 0.501 158 L N 0.126 121.094 121.223 -0.424 0.000 2.017 158 L HA -0.160 4.180 4.340 0.001 0.000 0.208 158 L C 2.935 179.283 176.870 -0.871 0.000 1.073 158 L CA 1.052 55.448 54.840 -0.740 0.000 0.745 158 L CB -0.480 40.905 42.059 -1.122 0.000 0.894 158 L HN 0.210 nan 8.230 nan 0.000 0.432 159 A N -0.186 122.138 122.820 -0.826 0.000 1.930 159 A HA -0.098 4.223 4.320 0.001 0.000 0.217 159 A C 2.524 179.800 177.584 -0.512 0.000 1.175 159 A CA 1.513 53.195 52.037 -0.592 0.000 0.627 159 A CB -0.624 17.981 19.000 -0.659 0.000 0.815 159 A HN 0.395 nan 8.150 nan 0.000 0.443 160 A N 0.174 122.567 122.820 -0.711 0.000 1.877 160 A HA -0.097 4.224 4.320 0.001 0.000 0.216 160 A C 2.111 179.546 177.584 -0.249 0.000 1.186 160 A CA 1.534 53.364 52.037 -0.345 0.000 0.620 160 A CB -0.626 18.176 19.000 -0.330 0.000 0.822 160 A HN 0.492 nan 8.150 nan 0.000 0.443 161 I N -0.742 119.661 120.570 -0.278 0.000 2.163 161 I HA -0.278 3.892 4.170 0.001 0.000 0.243 161 I C 2.622 178.670 176.117 -0.115 0.000 1.085 161 I CA 2.017 63.187 61.300 -0.217 0.000 1.347 161 I CB -0.313 37.582 38.000 -0.174 0.000 1.044 161 I HN 0.539 nan 8.210 nan 0.000 0.408 162 E N 0.646 120.799 120.200 -0.079 0.000 2.152 162 E HA -0.184 4.167 4.350 0.001 0.000 0.192 162 E C 2.165 178.799 176.600 0.057 0.000 0.983 162 E CA 1.395 57.818 56.400 0.038 0.000 0.818 162 E CB 0.120 29.918 29.700 0.164 0.000 0.758 162 E HN 0.505 nan 8.360 nan 0.000 0.467 163 S N -0.411 115.310 115.700 0.035 0.000 2.501 163 S HA 0.018 4.489 4.470 0.001 0.000 0.220 163 S C 0.692 175.331 174.600 0.066 0.000 0.997 163 S CA 0.627 58.873 58.200 0.077 0.000 0.919 163 S CB -0.080 63.179 63.200 0.098 0.000 0.778 163 S HN 0.405 nan 8.310 nan 0.000 0.523 164 N N -0.428 118.255 118.700 -0.028 0.000 2.800 164 N HA -0.119 4.622 4.740 0.001 0.000 0.250 164 N C -1.086 174.299 175.510 -0.209 0.000 1.078 164 N CA 0.953 53.936 53.050 -0.112 0.000 0.804 164 N CB -1.660 36.772 38.487 -0.093 0.000 1.135 164 N HN 0.400 nan 8.380 nan 0.000 0.565 165 V N 1.267 121.069 119.914 -0.186 0.000 2.417 165 V HA 0.452 4.572 4.120 0.001 0.000 0.291 165 V C -1.834 174.099 176.094 -0.269 0.000 1.024 165 V CA -1.567 60.535 62.300 -0.329 0.000 0.861 165 V CB 1.783 33.335 31.823 -0.452 0.000 0.985 165 V HN -0.052 nan 8.190 nan 0.000 0.436 166 P HA 0.197 nan 4.420 nan 0.000 0.269 166 P C -1.152 175.778 177.300 -0.616 0.000 1.215 166 P CA 0.010 62.666 63.100 -0.741 0.000 0.780 166 P CB 0.664 31.414 31.700 -1.584 0.000 0.898 167 F N 1.102 120.754 119.950 -0.497 0.000 2.546 167 F HA 0.535 5.062 4.527 0.001 0.000 0.320 167 F C 0.682 176.498 175.800 0.027 0.000 1.076 167 F CA -0.872 57.016 58.000 -0.188 0.000 0.928 167 F CB 2.105 40.995 39.000 -0.182 0.000 1.189 167 F HN 0.157 nan 8.300 nan 0.000 0.465 168 M N 4.233 124.002 119.600 0.282 0.000 2.078 168 M HA 0.325 4.805 4.480 0.001 0.000 0.320 168 M C -1.704 174.819 176.300 0.371 0.000 0.969 168 M CA -0.632 54.841 55.300 0.289 0.000 0.929 168 M CB 0.565 33.274 32.600 0.183 0.000 1.504 168 M HN 0.709 nan 8.290 nan 0.000 0.419 169 H N 6.163 125.364 119.070 0.218 0.000 2.552 169 H HA 0.565 5.122 4.556 0.001 0.000 0.311 169 H C -1.954 173.598 175.328 0.375 0.000 1.071 169 H CA -0.473 55.729 56.048 0.257 0.000 1.307 169 H CB 0.469 30.384 29.762 0.255 0.000 1.416 169 H HN 0.570 nan 8.280 nan 0.000 0.464 170 F N 4.496 124.380 119.950 -0.110 0.000 2.576 170 F HA 0.675 5.202 4.527 0.001 0.000 0.313 170 F C -1.961 173.789 175.800 -0.083 0.000 1.078 170 F CA -1.476 56.378 58.000 -0.244 0.000 0.921 170 F CB 1.212 40.081 39.000 -0.219 0.000 1.232 170 F HN 0.369 nan 8.300 nan 0.000 0.459 171 F N -0.861 119.070 119.950 -0.032 0.000 2.613 171 F HA 0.541 5.068 4.527 0.001 0.000 0.310 171 F C -1.053 174.850 175.800 0.172 0.000 1.085 171 F CA -1.461 56.550 58.000 0.018 0.000 0.945 171 F CB 0.876 39.875 39.000 -0.002 0.000 1.298 171 F HN 0.334 nan 8.300 nan 0.000 0.455 172 D N 1.749 122.364 120.400 0.359 0.000 2.487 172 D HA 0.238 4.879 4.640 0.001 0.000 0.243 172 D C 0.557 177.007 176.300 0.250 0.000 1.154 172 D CA 0.574 54.753 54.000 0.298 0.000 0.876 172 D CB 1.114 42.102 40.800 0.313 0.000 1.161 172 D HN 0.987 nan 8.370 nan 0.000 0.478 173 G N 1.599 110.493 108.800 0.158 0.000 2.305 173 G HA2 0.184 4.145 3.960 0.001 0.000 0.243 173 G HA3 0.184 4.145 3.960 0.001 0.000 0.243 173 G C 0.486 175.582 174.900 0.327 0.000 1.288 173 G CA -0.160 45.007 45.100 0.111 0.000 0.901 173 G HN 0.499 nan 8.290 nan 0.000 0.516 174 F N 0.274 120.364 119.950 0.234 0.000 2.560 174 F HA -0.341 4.186 4.527 0.001 0.000 0.695 174 F C 2.360 178.457 175.800 0.494 0.000 0.486 174 F CA 2.246 60.420 58.000 0.290 0.000 0.722 174 F CB -1.134 38.039 39.000 0.288 0.000 1.608 174 F HN 0.536 nan 8.300 nan 0.000 0.266 175 R N 0.501 121.359 120.500 0.597 0.000 2.139 175 R HA -0.091 4.250 4.340 0.001 0.000 0.243 175 R C 1.673 178.189 176.300 0.360 0.000 1.145 175 R CA 2.602 58.938 56.100 0.392 0.000 0.976 175 R CB -0.803 29.641 30.300 0.239 0.000 0.866 175 R HN 0.639 nan 8.270 nan 0.000 0.449 176 T N -2.010 112.782 114.554 0.397 0.000 3.028 176 T HA 0.031 4.382 4.350 0.001 0.000 0.250 176 T C 1.504 176.442 174.700 0.397 0.000 0.979 176 T CA 0.488 62.804 62.100 0.360 0.000 1.004 176 T CB 0.069 69.163 68.868 0.377 0.000 1.120 176 T HN 0.385 nan 8.240 nan 0.000 0.482 177 S N 1.480 117.503 115.700 0.538 0.000 2.399 177 S HA -0.161 4.309 4.470 0.001 0.000 0.231 177 S C 1.493 176.295 174.600 0.337 0.000 1.022 177 S CA 1.365 59.891 58.200 0.543 0.000 0.983 177 S CB -0.445 63.043 63.200 0.480 0.000 0.803 177 S HN 0.544 nan 8.310 nan 0.000 0.480 178 H N 0.652 119.845 119.070 0.205 0.000 2.755 178 H HA 0.461 5.017 4.556 0.001 0.000 0.273 178 H C 0.261 175.746 175.328 0.261 0.000 1.055 178 H CA -0.216 55.953 56.048 0.201 0.000 1.191 178 H CB 0.162 30.063 29.762 0.231 0.000 1.536 178 H HN 0.640 nan 8.280 nan 0.000 0.529 179 E N 1.423 121.862 120.200 0.398 0.000 2.316 179 E HA 0.160 4.511 4.350 0.001 0.000 0.275 179 E C -0.552 176.167 176.600 0.198 0.000 1.029 179 E CA -0.282 56.320 56.400 0.336 0.000 0.871 179 E CB 0.586 30.468 29.700 0.303 0.000 1.022 179 E HN 0.246 nan 8.360 nan 0.000 0.418 180 I N 4.264 124.927 120.570 0.156 0.000 2.353 180 I HA 0.220 4.391 4.170 0.001 0.000 0.293 180 I C 0.192 176.349 176.117 0.067 0.000 0.992 180 I CA -0.493 60.874 61.300 0.112 0.000 1.268 180 I CB 1.285 39.368 38.000 0.138 0.000 1.387 180 I HN 0.487 nan 8.210 nan 0.000 0.478 181 Q N 4.757 124.595 119.800 0.063 0.000 2.416 181 Q HA 0.326 4.667 4.340 0.001 0.000 0.281 181 Q C -1.110 174.928 176.000 0.063 0.000 1.067 181 Q CA -0.996 54.844 55.803 0.062 0.000 0.809 181 Q CB 3.357 32.138 28.738 0.071 0.000 1.418 181 Q HN 0.476 nan 8.270 nan 0.000 0.411 182 K N 3.023 123.473 120.400 0.084 0.000 2.285 182 K HA 0.472 4.793 4.320 0.001 0.000 0.286 182 K C -0.298 176.344 176.600 0.069 0.000 1.072 182 K CA 0.010 56.331 56.287 0.057 0.000 0.913 182 K CB 0.143 32.668 32.500 0.042 0.000 1.067 182 K HN 0.603 nan 8.250 nan 0.000 0.479 183 I N 0.169 120.748 120.570 0.015 0.000 3.343 183 I HA 0.507 4.678 4.170 0.001 0.000 0.315 183 I C -1.347 174.727 176.117 -0.072 0.000 1.153 183 I CA -1.164 60.135 61.300 -0.001 0.000 0.952 183 I CB 2.076 40.064 38.000 -0.020 0.000 1.287 183 I HN 0.638 nan 8.210 nan 0.000 0.472 184 E N 1.996 122.129 120.200 -0.113 0.000 2.199 184 E HA 0.656 5.007 4.350 0.001 0.000 0.269 184 E C -1.110 175.276 176.600 -0.356 0.000 0.899 184 E CA -0.848 55.452 56.400 -0.167 0.000 0.772 184 E CB 2.421 32.062 29.700 -0.098 0.000 1.155 184 E HN 0.697 nan 8.360 nan 0.000 0.408 185 V N 0.923 120.612 119.914 -0.376 0.000 3.103 185 V HA 0.624 4.745 4.120 0.001 0.000 0.318 185 V C -0.429 175.567 176.094 -0.163 0.000 1.114 185 V CA -1.183 60.774 62.300 -0.572 0.000 1.020 185 V CB 1.261 32.735 31.823 -0.581 0.000 1.085 185 V HN 0.752 nan 8.190 nan 0.000 0.446 186 L N 1.080 122.406 121.223 0.171 0.000 2.344 186 L HA 0.549 4.890 4.340 0.001 0.000 0.272 186 L C -0.127 176.935 176.870 0.320 0.000 1.035 186 L CA -0.693 54.288 54.840 0.236 0.000 0.807 186 L CB 1.436 43.667 42.059 0.286 0.000 1.237 186 L HN 0.684 nan 8.230 nan 0.000 0.442 187 D N 0.075 120.589 120.400 0.190 0.000 2.357 187 D HA -0.014 4.626 4.640 0.001 0.000 0.242 187 D C 0.669 177.132 176.300 0.271 0.000 1.153 187 D CA -0.023 54.077 54.000 0.167 0.000 0.918 187 D CB 0.739 41.579 40.800 0.066 0.000 1.181 187 D HN 0.306 nan 8.370 nan 0.000 0.435 188 Y N 0.799 121.082 120.300 -0.027 0.000 2.274 188 Y HA -0.123 4.428 4.550 0.001 0.000 0.290 188 Y C 2.297 178.157 175.900 -0.065 0.000 1.145 188 Y CA 0.680 58.734 58.100 -0.076 0.000 1.203 188 Y CB -1.026 37.366 38.460 -0.113 0.000 0.984 188 Y HN 0.455 nan 8.280 nan 0.000 0.533 189 A N 0.145 123.036 122.820 0.119 0.000 1.902 189 A HA -0.190 4.130 4.320 0.001 0.000 0.217 189 A C 1.965 179.568 177.584 0.032 0.000 1.181 189 A CA 2.005 54.070 52.037 0.047 0.000 0.623 189 A CB -0.667 18.354 19.000 0.034 0.000 0.818 189 A HN 0.316 nan 8.150 nan 0.000 0.443 190 D N -0.474 119.958 120.400 0.054 0.000 2.144 190 D HA -0.122 4.519 4.640 0.001 0.000 0.199 190 D C 2.007 178.326 176.300 0.032 0.000 0.984 190 D CA 1.314 55.344 54.000 0.049 0.000 0.834 190 D CB -0.344 40.500 40.800 0.072 0.000 0.955 190 D HN 0.499 nan 8.370 nan 0.000 0.465 191 M N 0.275 119.885 119.600 0.017 0.000 2.132 191 M HA -0.094 4.387 4.480 0.001 0.000 0.263 191 M C 2.285 178.534 176.300 -0.085 0.000 1.065 191 M CA 1.349 56.620 55.300 -0.048 0.000 1.122 191 M CB -0.180 32.343 32.600 -0.128 0.000 1.365 191 M HN -0.012 nan 8.290 nan 0.000 0.411 192 A N 0.423 123.183 122.820 -0.100 0.000 1.933 192 A HA -0.170 4.151 4.320 0.001 0.000 0.218 192 A C 2.256 179.806 177.584 -0.056 0.000 1.175 192 A CA 2.102 54.064 52.037 -0.125 0.000 0.628 192 A CB -0.966 17.953 19.000 -0.134 0.000 0.814 192 A HN 0.600 nan 8.150 nan 0.000 0.444 193 S N -1.032 114.657 115.700 -0.018 0.000 2.474 193 S HA -0.030 4.441 4.470 0.001 0.000 0.235 193 S C 1.366 175.985 174.600 0.032 0.000 0.997 193 S CA 1.314 59.519 58.200 0.009 0.000 0.949 193 S CB -0.277 62.935 63.200 0.019 0.000 0.766 193 S HN 0.214 nan 8.310 nan 0.000 0.517 194 L N 1.445 122.690 121.223 0.038 0.000 2.529 194 L HA 0.394 4.735 4.340 0.001 0.000 0.223 194 L C 0.463 177.411 176.870 0.129 0.000 1.113 194 L CA 0.089 54.992 54.840 0.105 0.000 0.861 194 L CB -0.368 41.764 42.059 0.123 0.000 1.012 194 L HN 0.166 nan 8.230 nan 0.000 0.461 195 V N 1.299 121.232 119.914 0.032 0.000 2.585 195 V HA 0.002 4.122 4.120 0.001 0.000 0.296 195 V C 0.784 176.924 176.094 0.076 0.000 1.035 195 V CA -0.382 61.927 62.300 0.015 0.000 1.084 195 V CB 0.561 32.365 31.823 -0.032 0.000 0.953 195 V HN 0.323 nan 8.190 nan 0.000 0.483 196 N N 4.825 123.587 118.700 0.102 0.000 2.448 196 N HA 0.050 4.791 4.740 0.001 0.000 0.250 196 N C 1.059 176.621 175.510 0.087 0.000 1.136 196 N CA -0.064 53.054 53.050 0.112 0.000 0.953 196 N CB 1.088 39.660 38.487 0.142 0.000 1.251 196 N HN 0.585 nan 8.380 nan 0.000 0.502 197 Q N 2.397 122.245 119.800 0.080 0.000 2.170 197 Q HA -0.098 4.243 4.340 0.001 0.000 0.203 197 Q C 1.015 177.066 176.000 0.086 0.000 0.976 197 Q CA 1.147 57.003 55.803 0.088 0.000 0.858 197 Q CB 0.178 28.961 28.738 0.076 0.000 0.907 197 Q HN 0.528 nan 8.270 nan 0.000 0.433 198 K N 0.464 120.907 120.400 0.072 0.000 2.062 198 K HA 0.036 4.357 4.320 0.001 0.000 0.205 198 K C 1.996 178.643 176.600 0.079 0.000 1.051 198 K CA 1.037 57.363 56.287 0.065 0.000 0.941 198 K CB -0.372 32.158 32.500 0.050 0.000 0.719 198 K HN 0.149 nan 8.250 nan 0.000 0.440 199 A N 1.484 124.356 122.820 0.086 0.000 1.902 199 A HA -0.146 4.175 4.320 0.001 0.000 0.217 199 A C 2.196 179.860 177.584 0.133 0.000 1.181 199 A CA 1.200 53.296 52.037 0.098 0.000 0.623 199 A CB -0.536 18.513 19.000 0.083 0.000 0.818 199 A HN 0.213 nan 8.150 nan 0.000 0.443 200 L N -0.153 121.150 121.223 0.134 0.000 2.017 200 L HA -0.063 4.278 4.340 0.001 0.000 0.208 200 L C 2.645 179.643 176.870 0.213 0.000 1.073 200 L CA 2.288 57.246 54.840 0.197 0.000 0.745 200 L CB -0.869 41.304 42.059 0.190 0.000 0.894 200 L HN 0.331 nan 8.230 nan 0.000 0.432 201 A N -0.929 121.971 122.820 0.133 0.000 1.933 201 A HA -0.219 4.102 4.320 0.001 0.000 0.218 201 A C 2.235 179.859 177.584 0.066 0.000 1.175 201 A CA 1.614 53.700 52.037 0.082 0.000 0.628 201 A CB -0.661 18.372 19.000 0.056 0.000 0.814 201 A HN 0.539 nan 8.150 nan 0.000 0.444 202 E N -0.561 119.694 120.200 0.091 0.000 2.106 202 E HA -0.159 4.192 4.350 0.001 0.000 0.192 202 E C 1.560 178.222 176.600 0.103 0.000 0.984 202 E CA 1.266 57.711 56.400 0.075 0.000 0.806 202 E CB -0.534 29.217 29.700 0.086 0.000 0.750 202 E HN 0.561 nan 8.360 nan 0.000 0.458 203 F N 1.295 121.253 119.950 0.013 0.000 2.134 203 F HA -0.081 4.447 4.527 0.001 0.000 0.299 203 F C 1.923 177.731 175.800 0.014 0.000 1.097 203 F CA 1.691 59.696 58.000 0.009 0.000 1.264 203 F CB -0.182 38.824 39.000 0.009 0.000 1.001 203 F HN -0.051 nan 8.300 nan 0.000 0.479 204 R N 0.246 120.587 120.500 -0.266 0.000 2.090 204 R HA 0.025 4.365 4.340 0.001 0.000 0.228 204 R C 2.474 178.668 176.300 -0.176 0.000 1.110 204 R CA 1.034 56.920 56.100 -0.357 0.000 0.973 204 R CB -0.886 29.312 30.300 -0.170 0.000 0.869 204 R HN 0.384 nan 8.270 nan 0.000 0.440 205 A N 2.506 125.267 122.820 -0.098 0.000 1.972 205 A HA -0.206 4.115 4.320 0.001 0.000 0.219 205 A C 1.983 179.534 177.584 -0.055 0.000 1.169 205 A CA 1.661 53.643 52.037 -0.092 0.000 0.635 205 A CB -0.289 18.652 19.000 -0.098 0.000 0.810 205 A HN 0.398 nan 8.150 nan 0.000 0.446 206 K N -0.478 119.886 120.400 -0.059 0.000 2.426 206 K HA 0.199 4.519 4.320 0.001 0.000 0.193 206 K C 0.410 176.985 176.600 -0.042 0.000 1.028 206 K CA 0.468 56.719 56.287 -0.059 0.000 1.047 206 K CB 0.011 32.475 32.500 -0.059 0.000 0.821 206 K HN 0.218 nan 8.250 nan 0.000 0.513 207 S N 1.428 117.089 115.700 -0.064 0.000 2.596 207 S HA 0.155 4.625 4.470 0.001 0.000 0.260 207 S C 0.259 174.926 174.600 0.113 0.000 1.336 207 S CA -0.598 57.575 58.200 -0.046 0.000 0.993 207 S CB 0.407 63.449 63.200 -0.263 0.000 0.923 207 S HN 0.208 nan 8.310 nan 0.000 0.567 208 M N 2.989 122.641 119.600 0.087 0.000 2.252 208 M HA 0.122 4.603 4.480 0.001 0.000 0.348 208 M C 0.269 176.488 176.300 -0.135 0.000 1.334 208 M CA 0.699 55.988 55.300 -0.019 0.000 1.071 208 M CB -0.140 32.401 32.600 -0.098 0.000 1.763 208 M HN 0.510 nan 8.290 nan 0.000 0.452 209 N N 4.466 123.018 118.700 -0.248 0.000 2.929 209 N HA 0.173 4.914 4.740 0.001 0.000 0.245 209 N C -2.558 172.734 175.510 -0.363 0.000 1.081 209 N CA -0.906 51.930 53.050 -0.357 0.000 1.048 209 N CB 2.131 40.270 38.487 -0.580 0.000 1.629 209 N HN 0.229 nan 8.380 nan 0.000 0.598 210 P HA -0.071 nan 4.420 nan 0.000 0.228 210 P C 0.498 177.716 177.300 -0.137 0.000 1.151 210 P CA 0.983 63.989 63.100 -0.157 0.000 0.770 210 P CB 0.550 32.186 31.700 -0.108 0.000 0.786 211 E N -0.072 120.019 120.200 -0.182 0.000 2.358 211 E HA -0.089 4.262 4.350 0.001 0.000 0.195 211 E C 0.730 177.352 176.600 0.037 0.000 1.010 211 E CA 0.819 57.185 56.400 -0.056 0.000 0.856 211 E CB -0.296 29.415 29.700 0.017 0.000 0.795 211 E HN 0.697 nan 8.360 nan 0.000 0.504 212 H N -1.650 117.423 119.070 0.004 0.000 2.922 212 H HA 0.255 4.812 4.556 0.001 0.000 0.219 212 H C -2.839 172.521 175.328 0.054 0.000 1.356 212 H CA -1.454 54.606 56.048 0.021 0.000 1.424 212 H CB -0.327 29.445 29.762 0.016 0.000 2.045 212 H HN -0.112 nan 8.280 nan 0.000 0.595 213 P HA 0.155 nan 4.420 nan 0.000 0.272 213 P C -0.111 177.254 177.300 0.109 0.000 1.240 213 P CA 0.444 63.536 63.100 -0.014 0.000 0.791 213 P CB 1.604 33.261 31.700 -0.071 0.000 0.978 214 H N -2.566 116.499 119.070 -0.008 0.000 2.948 214 H HA 0.481 5.037 4.556 0.001 0.000 0.315 214 H C -1.698 173.631 175.328 0.001 0.000 1.360 214 H CA -0.990 55.063 56.048 0.008 0.000 1.125 214 H CB 0.542 30.317 29.762 0.023 0.000 1.844 214 H HN 0.109 nan 8.280 nan 0.000 0.529 215 V N 2.118 122.061 119.914 0.048 0.000 2.459 215 V HA 0.492 4.613 4.120 0.001 0.000 0.295 215 V C 0.291 176.443 176.094 0.098 0.000 1.029 215 V CA -0.810 61.481 62.300 -0.015 0.000 0.874 215 V CB 1.462 33.296 31.823 0.019 0.000 0.985 215 V HN 0.840 nan 8.190 nan 0.000 0.438 216 R N 2.599 123.123 120.500 0.039 0.000 2.807 216 R HA 0.758 5.099 4.340 0.001 0.000 0.276 216 R C 0.328 176.675 176.300 0.078 0.000 0.979 216 R CA -0.231 55.939 56.100 0.116 0.000 0.928 216 R CB 1.861 32.260 30.300 0.164 0.000 1.191 216 R HN 1.149 nan 8.270 nan 0.000 0.471 217 G N 1.516 110.377 108.800 0.102 0.000 2.289 217 G HA2 -0.294 3.667 3.960 0.001 0.000 0.280 217 G HA3 -0.294 3.667 3.960 0.001 0.000 0.280 217 G C 0.080 175.023 174.900 0.071 0.000 1.089 217 G CA 0.398 45.554 45.100 0.094 0.000 0.939 217 G HN 1.069 nan 8.290 nan 0.000 0.499 218 T N -2.201 112.398 114.554 0.075 0.000 2.754 218 T HA 0.758 5.109 4.350 0.001 0.000 0.286 218 T C 0.584 175.325 174.700 0.069 0.000 0.997 218 T CA 0.329 62.466 62.100 0.063 0.000 0.982 218 T CB 2.072 70.979 68.868 0.066 0.000 1.027 218 T HN 1.833 nan 8.240 nan 0.000 0.529 219 A N 1.112 123.965 122.820 0.055 0.000 2.288 219 A HA 0.596 4.917 4.320 0.001 0.000 0.320 219 A C -0.190 177.431 177.584 0.062 0.000 1.217 219 A CA -0.855 51.211 52.037 0.048 0.000 0.840 219 A CB 0.660 19.673 19.000 0.022 0.000 1.179 219 A HN 0.830 nan 8.150 nan 0.000 0.504 220 Q N 1.777 121.629 119.800 0.086 0.000 2.365 220 Q HA 0.332 4.673 4.340 0.001 0.000 0.269 220 Q C -0.638 175.407 176.000 0.075 0.000 1.061 220 Q CA -1.054 54.817 55.803 0.112 0.000 0.816 220 Q CB 1.950 30.814 28.738 0.210 0.000 1.325 220 Q HN 0.803 nan 8.270 nan 0.000 0.446 221 N N 1.339 120.082 118.700 0.071 0.000 2.405 221 N HA 0.176 4.917 4.740 0.001 0.000 0.269 221 N C -1.839 173.720 175.510 0.082 0.000 1.249 221 N CA -1.484 51.594 53.050 0.047 0.000 0.974 221 N CB 0.167 38.677 38.487 0.039 0.000 1.204 221 N HN 0.292 nan 8.380 nan 0.000 0.565 222 P HA -0.107 nan 4.420 nan 0.000 0.221 222 P C 0.511 177.884 177.300 0.122 0.000 1.145 222 P CA 1.044 64.199 63.100 0.091 0.000 0.795 222 P CB 0.118 31.850 31.700 0.054 0.000 0.775 223 D N 0.129 120.584 120.400 0.093 0.000 2.178 223 D HA -0.162 4.479 4.640 0.001 0.000 0.201 223 D C 1.613 177.970 176.300 0.095 0.000 0.980 223 D CA 1.318 55.367 54.000 0.082 0.000 0.842 223 D CB -0.879 39.955 40.800 0.057 0.000 0.948 223 D HN 0.357 nan 8.370 nan 0.000 0.472 224 I N -5.107 115.537 120.570 0.124 0.000 4.557 224 I HA 0.278 4.449 4.170 0.001 0.000 0.333 224 I C 1.765 177.979 176.117 0.162 0.000 1.332 224 I CA -0.713 60.658 61.300 0.118 0.000 1.240 224 I CB -0.089 37.961 38.000 0.083 0.000 1.312 224 I HN -0.209 nan 8.210 nan 0.000 0.457 225 Y N 2.125 122.481 120.300 0.093 0.000 2.128 225 Y HA -0.261 4.290 4.550 0.001 0.000 0.284 225 Y C 2.253 178.256 175.900 0.172 0.000 1.154 225 Y CA 2.502 60.660 58.100 0.098 0.000 1.149 225 Y CB -0.442 38.054 38.460 0.060 0.000 0.976 225 Y HN 0.275 nan 8.280 nan 0.000 0.505 226 F N 0.492 120.468 119.950 0.043 0.000 2.069 226 F HA -0.380 4.148 4.527 0.001 0.000 0.298 226 F C 2.241 177.982 175.800 -0.099 0.000 1.113 226 F CA 1.564 59.539 58.000 -0.042 0.000 1.214 226 F CB -0.101 38.930 39.000 0.052 0.000 0.978 226 F HN 0.177 nan 8.300 nan 0.000 0.474 227 Q N 0.215 120.077 119.800 0.104 0.000 2.096 227 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 227 Q C 2.336 178.335 176.000 -0.003 0.000 0.982 227 Q CA 1.657 57.449 55.803 -0.018 0.000 0.850 227 Q CB -0.980 27.740 28.738 -0.030 0.000 0.901 227 Q HN 0.536 nan 8.270 nan 0.000 0.422 228 G N 0.185 108.970 108.800 -0.024 0.000 2.432 228 G HA2 -0.299 3.662 3.960 0.001 0.000 0.219 228 G HA3 -0.299 3.662 3.960 0.001 0.000 0.219 228 G C 1.542 176.381 174.900 -0.102 0.000 1.135 228 G CA 0.723 45.788 45.100 -0.058 0.000 0.767 228 G HN 0.159 nan 8.290 nan 0.000 0.550 229 R N 0.438 120.828 120.500 -0.182 0.000 2.115 229 R HA 0.059 4.400 4.340 0.001 0.000 0.226 229 R C 2.137 178.426 176.300 -0.017 0.000 1.100 229 R CA 0.960 56.955 56.100 -0.175 0.000 0.980 229 R CB -0.088 30.030 30.300 -0.304 0.000 0.875 229 R HN 0.202 nan 8.270 nan 0.000 0.445 230 E N -0.266 119.964 120.200 0.050 0.000 2.442 230 E HA 0.051 4.402 4.350 0.001 0.000 0.195 230 E C 1.549 178.183 176.600 0.057 0.000 1.030 230 E CA 0.730 57.169 56.400 0.066 0.000 0.869 230 E CB 0.246 29.985 29.700 0.065 0.000 0.857 230 E HN 0.399 nan 8.360 nan 0.000 0.505 231 A N 1.310 124.159 122.820 0.048 0.000 2.070 231 A HA -0.058 4.262 4.320 0.001 0.000 0.220 231 A C 2.231 179.901 177.584 0.143 0.000 1.159 231 A CA 1.523 53.604 52.037 0.073 0.000 0.656 231 A CB -0.225 18.808 19.000 0.055 0.000 0.800 231 A HN 0.207 nan 8.150 nan 0.000 0.453 232 A N -0.297 122.619 122.820 0.161 0.000 2.238 232 A HA 0.028 4.348 4.320 0.001 0.000 0.208 232 A C 1.579 179.390 177.584 0.377 0.000 1.177 232 A CA 0.718 52.926 52.037 0.286 0.000 0.804 232 A CB -0.473 18.673 19.000 0.244 0.000 0.823 232 A HN 0.498 nan 8.150 nan 0.000 0.482 233 N N 1.177 120.016 118.700 0.232 0.000 2.060 233 N HA -0.155 4.586 4.740 0.001 0.000 0.195 233 N C -0.874 174.756 175.510 0.202 0.000 1.028 233 N CA 1.905 55.076 53.050 0.201 0.000 0.861 233 N CB -1.677 36.871 38.487 0.103 0.000 1.029 233 N HN 0.313 nan 8.380 nan 0.000 0.428 234 P HA -0.131 nan 4.420 nan 0.000 0.216 234 P C 1.131 178.393 177.300 -0.063 0.000 1.150 234 P CA 1.194 64.285 63.100 -0.015 0.000 0.843 234 P CB -0.147 31.480 31.700 -0.122 0.000 0.787 235 Y N -2.762 117.565 120.300 0.046 0.000 2.200 235 Y HA -0.188 4.363 4.550 0.001 0.000 0.290 235 Y C 2.374 178.215 175.900 -0.097 0.000 1.137 235 Y CA 1.348 59.422 58.100 -0.044 0.000 1.163 235 Y CB -1.291 37.104 38.460 -0.108 0.000 0.988 235 Y HN -0.028 nan 8.280 nan 0.000 0.518 236 Y N -0.536 119.854 120.300 0.150 0.000 2.293 236 Y HA -0.189 4.362 4.550 0.001 0.000 0.291 236 Y C 2.190 178.120 175.900 0.050 0.000 1.137 236 Y CA 1.072 59.215 58.100 0.072 0.000 1.202 236 Y CB -0.597 37.889 38.460 0.044 0.000 0.990 236 Y HN 0.078 nan 8.280 nan 0.000 0.537 237 L N -0.321 121.004 121.223 0.170 0.000 2.191 237 L HA -0.221 4.120 4.340 0.001 0.000 0.212 237 L C 2.090 178.996 176.870 0.060 0.000 1.103 237 L CA 1.205 56.104 54.840 0.098 0.000 0.769 237 L CB -0.304 41.793 42.059 0.063 0.000 0.908 237 L HN 0.112 nan 8.230 nan 0.000 0.438 238 K N -0.570 119.851 120.400 0.035 0.000 2.361 238 K HA 0.043 4.364 4.320 0.001 0.000 0.196 238 K C 2.064 178.696 176.600 0.052 0.000 1.039 238 K CA 0.487 56.788 56.287 0.023 0.000 1.001 238 K CB -0.009 32.481 32.500 -0.016 0.000 0.795 238 K HN 0.131 nan 8.250 nan 0.000 0.495 239 V N 2.201 122.150 119.914 0.058 0.000 2.250 239 V HA -0.232 3.889 4.120 0.001 0.000 0.250 239 V C -0.803 175.364 176.094 0.122 0.000 1.060 239 V CA 2.074 64.428 62.300 0.091 0.000 1.030 239 V CB -1.384 30.458 31.823 0.032 0.000 0.643 239 V HN 0.164 nan 8.190 nan 0.000 0.445 240 P HA -0.153 nan 4.420 nan 0.000 0.214 240 P C 1.722 179.076 177.300 0.090 0.000 1.163 240 P CA 2.031 65.188 63.100 0.094 0.000 0.889 240 P CB -0.402 31.348 31.700 0.082 0.000 0.790 241 G N -0.529 108.314 108.800 0.071 0.000 2.422 241 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 241 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 241 G C 1.542 176.474 174.900 0.054 0.000 1.146 241 G CA 0.593 45.724 45.100 0.052 0.000 0.769 241 G HN 0.233 nan 8.290 nan 0.000 0.547 242 I N 0.284 120.904 120.570 0.083 0.000 2.226 242 I HA -0.153 4.018 4.170 0.001 0.000 0.245 242 I C 2.769 178.997 176.117 0.186 0.000 1.100 242 I CA 0.498 61.870 61.300 0.120 0.000 1.374 242 I CB -0.259 37.838 38.000 0.161 0.000 1.057 242 I HN 0.029 nan 8.210 nan 0.000 0.413 243 V N 1.115 121.138 119.914 0.182 0.000 2.295 243 V HA -0.307 3.813 4.120 0.001 0.000 0.246 243 V C 2.743 178.919 176.094 0.137 0.000 1.049 243 V CA 2.041 64.447 62.300 0.177 0.000 1.024 243 V CB -1.032 30.908 31.823 0.194 0.000 0.648 243 V HN 0.498 nan 8.190 nan 0.000 0.447 244 A N -0.033 122.848 122.820 0.102 0.000 1.908 244 A HA -0.280 4.041 4.320 0.001 0.000 0.218 244 A C 2.200 179.814 177.584 0.050 0.000 1.181 244 A CA 2.187 54.272 52.037 0.079 0.000 0.627 244 A CB -0.534 18.505 19.000 0.066 0.000 0.818 244 A HN 0.571 nan 8.150 nan 0.000 0.445 245 E N -0.852 119.347 120.200 -0.001 0.000 2.051 245 E HA -0.182 4.169 4.350 0.001 0.000 0.192 245 E C 1.658 178.168 176.600 -0.150 0.000 0.991 245 E CA 1.654 57.990 56.400 -0.107 0.000 0.799 245 E CB -0.535 29.039 29.700 -0.211 0.000 0.748 245 E HN 0.719 nan 8.360 nan 0.000 0.449 246 Y N -0.288 120.015 120.300 0.006 0.000 2.293 246 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 246 Y C 2.293 178.206 175.900 0.021 0.000 1.137 246 Y CA 1.222 59.319 58.100 -0.005 0.000 1.202 246 Y CB -0.100 38.331 38.460 -0.048 0.000 0.990 246 Y HN 0.075 nan 8.280 nan 0.000 0.537 247 M N -0.566 119.136 119.600 0.171 0.000 2.117 247 M HA -0.303 4.178 4.480 0.001 0.000 0.262 247 M C 2.042 178.437 176.300 0.158 0.000 1.065 247 M CA 1.808 57.216 55.300 0.181 0.000 1.114 247 M CB -0.369 32.345 32.600 0.190 0.000 1.361 247 M HN 0.285 nan 8.290 nan 0.000 0.408 248 Q N 0.112 119.968 119.800 0.093 0.000 2.079 248 Q HA -0.139 4.201 4.340 0.001 0.000 0.200 248 Q C 2.002 178.031 176.000 0.048 0.000 0.974 248 Q CA 1.303 57.139 55.803 0.056 0.000 0.840 248 Q CB -0.023 28.727 28.738 0.019 0.000 0.898 248 Q HN 0.462 nan 8.270 nan 0.000 0.430 249 K N -0.073 120.348 120.400 0.035 0.000 2.025 249 K HA -0.109 4.212 4.320 0.001 0.000 0.207 249 K C 2.087 178.741 176.600 0.090 0.000 1.049 249 K CA 1.379 57.691 56.287 0.042 0.000 0.933 249 K CB -0.124 32.389 32.500 0.021 0.000 0.714 249 K HN 0.028 nan 8.250 nan 0.000 0.438 250 V N 1.524 121.518 119.914 0.133 0.000 2.407 250 V HA -0.252 3.869 4.120 0.001 0.000 0.248 250 V C 2.340 178.512 176.094 0.130 0.000 1.055 250 V CA 2.011 64.395 62.300 0.139 0.000 1.049 250 V CB -0.705 31.212 31.823 0.157 0.000 0.662 250 V HN 0.358 nan 8.190 nan 0.000 0.455 251 A N 0.772 123.666 122.820 0.124 0.000 1.969 251 A HA -0.182 4.138 4.320 0.001 0.000 0.218 251 A C 2.510 180.127 177.584 0.055 0.000 1.169 251 A CA 1.971 54.060 52.037 0.087 0.000 0.635 251 A CB -0.654 18.385 19.000 0.065 0.000 0.810 251 A HN 0.695 nan 8.150 nan 0.000 0.445 252 S N -0.374 115.357 115.700 0.051 0.000 2.447 252 S HA -0.002 4.469 4.470 0.001 0.000 0.233 252 S C 1.675 176.299 174.600 0.040 0.000 1.006 252 S CA 1.324 59.545 58.200 0.036 0.000 0.957 252 S CB -0.448 62.769 63.200 0.028 0.000 0.773 252 S HN 0.471 nan 8.310 nan 0.000 0.507 253 L N 1.187 122.444 121.223 0.055 0.000 2.298 253 L HA 0.106 4.447 4.340 0.001 0.000 0.209 253 L C 2.912 179.816 176.870 0.057 0.000 1.084 253 L CA 1.309 56.183 54.840 0.056 0.000 0.816 253 L CB -0.550 41.551 42.059 0.070 0.000 0.967 253 L HN 0.579 nan 8.230 nan 0.000 0.460 254 T N -4.624 109.972 114.554 0.069 0.000 3.023 254 T HA 0.222 4.572 4.350 0.001 0.000 0.249 254 T C 1.513 176.237 174.700 0.041 0.000 1.050 254 T CA 0.695 62.833 62.100 0.063 0.000 1.088 254 T CB 0.827 69.755 68.868 0.101 0.000 0.946 254 T HN 0.363 nan 8.240 nan 0.000 0.480 255 G N 1.774 110.592 108.800 0.031 0.000 2.176 255 G HA2 -0.226 3.735 3.960 0.001 0.000 0.253 255 G HA3 -0.226 3.735 3.960 0.001 0.000 0.253 255 G C 0.131 175.018 174.900 -0.022 0.000 0.979 255 G CA -0.131 44.974 45.100 0.009 0.000 0.641 255 G HN 0.674 nan 8.290 nan 0.000 0.530 256 R N 1.108 121.592 120.500 -0.027 0.000 2.215 256 R HA 0.545 4.886 4.340 0.001 0.000 0.336 256 R C -0.322 175.808 176.300 -0.284 0.000 0.996 256 R CA -0.175 55.837 56.100 -0.147 0.000 0.847 256 R CB 1.270 31.529 30.300 -0.067 0.000 1.127 256 R HN 0.186 nan 8.270 nan 0.000 0.465 257 S N 2.430 117.917 115.700 -0.355 0.000 2.585 257 S HA 0.500 4.971 4.470 0.001 0.000 0.277 257 S C -0.895 173.391 174.600 -0.524 0.000 1.241 257 S CA -0.377 57.651 58.200 -0.286 0.000 1.041 257 S CB 0.670 63.801 63.200 -0.116 0.000 0.987 257 S HN 0.353 nan 8.310 nan 0.000 0.512 258 Y N 0.344 120.675 120.300 0.052 0.000 2.588 258 Y HA 0.559 5.110 4.550 0.001 0.000 0.343 258 Y C 0.158 176.091 175.900 0.055 0.000 1.065 258 Y CA -1.071 57.061 58.100 0.054 0.000 1.038 258 Y CB 1.718 40.207 38.460 0.048 0.000 1.297 258 Y HN 0.426 nan 8.280 nan 0.000 0.467 259 K N 0.704 121.244 120.400 0.235 0.000 2.433 259 K HA 0.483 4.804 4.320 0.001 0.000 0.252 259 K C 0.278 176.949 176.600 0.119 0.000 1.015 259 K CA -0.856 55.528 56.287 0.162 0.000 0.860 259 K CB 2.080 34.673 32.500 0.155 0.000 1.359 259 K HN 0.534 nan 8.250 nan 0.000 0.452 260 L N 0.376 121.645 121.223 0.077 0.000 2.127 260 L HA -0.030 4.311 4.340 0.001 0.000 0.211 260 L C 0.099 176.762 176.870 -0.345 0.000 1.089 260 L CA 1.519 56.299 54.840 -0.101 0.000 0.757 260 L CB -0.194 41.842 42.059 -0.039 0.000 0.899 260 L HN 0.381 nan 8.230 nan 0.000 0.434 261 F N -1.094 118.909 119.950 0.089 0.000 2.557 261 F HA 0.391 4.919 4.527 0.001 0.000 0.316 261 F C -0.445 175.427 175.800 0.119 0.000 1.141 261 F CA -1.075 56.992 58.000 0.112 0.000 0.922 261 F CB 1.669 40.721 39.000 0.086 0.000 1.194 261 F HN -0.225 nan 8.300 nan 0.000 0.443 262 D N 1.866 122.445 120.400 0.298 0.000 2.362 262 D HA 0.199 4.840 4.640 0.001 0.000 0.247 262 D C -1.510 174.939 176.300 0.249 0.000 1.050 262 D CA -0.331 53.812 54.000 0.237 0.000 0.839 262 D CB 2.655 43.568 40.800 0.188 0.000 1.283 262 D HN 0.492 nan 8.370 nan 0.000 0.477 263 Y N 1.836 122.199 120.300 0.105 0.000 2.377 263 Y HA 0.472 5.023 4.550 0.001 0.000 0.339 263 Y C -0.727 175.221 175.900 0.081 0.000 1.011 263 Y CA -0.608 57.545 58.100 0.088 0.000 1.093 263 Y CB 1.152 39.642 38.460 0.050 0.000 1.201 263 Y HN 0.176 nan 8.280 nan 0.000 0.455 264 V N 2.904 122.389 119.914 -0.714 0.000 2.925 264 V HA 1.064 5.185 4.120 0.001 0.000 0.311 264 V C -0.184 175.460 176.094 -0.751 0.000 1.104 264 V CA -0.123 61.898 62.300 -0.464 0.000 0.954 264 V CB 1.064 32.781 31.823 -0.177 0.000 1.022 264 V HN 1.464 nan 8.190 nan 0.000 0.427 265 G N 1.557 110.170 108.800 -0.311 0.000 2.331 265 G HA2 0.514 4.474 3.960 0.001 0.000 0.479 265 G HA3 0.514 4.474 3.960 0.001 0.000 0.479 265 G C -0.127 174.842 174.900 0.115 0.000 1.262 265 G CA -0.094 44.923 45.100 -0.138 0.000 1.029 265 G HN 2.228 nan 8.290 nan 0.000 0.487 266 A N 0.428 123.338 122.820 0.151 0.000 2.488 266 A HA 0.641 4.961 4.320 0.001 0.000 0.249 266 A C -0.652 177.078 177.584 0.244 0.000 1.083 266 A CA 0.077 52.211 52.037 0.162 0.000 0.768 266 A CB 0.272 19.328 19.000 0.093 0.000 1.017 266 A HN 0.425 nan 8.150 nan 0.000 0.496 267 P HA -0.106 nan 4.420 nan 0.000 0.222 267 P C 0.256 177.571 177.300 0.024 0.000 1.147 267 P CA 1.514 64.660 63.100 0.078 0.000 0.790 267 P CB 0.167 31.898 31.700 0.053 0.000 0.780 268 D N -1.770 118.661 120.400 0.051 0.000 2.501 268 D HA 0.200 4.841 4.640 0.001 0.000 0.226 268 D C 0.204 176.538 176.300 0.057 0.000 1.198 268 D CA -0.709 53.313 54.000 0.036 0.000 0.830 268 D CB -0.779 40.038 40.800 0.028 0.000 1.014 268 D HN -0.060 nan 8.370 nan 0.000 0.496 269 A N 0.710 123.589 122.820 0.098 0.000 2.565 269 A HA 0.062 4.383 4.320 0.001 0.000 0.237 269 A C 0.963 178.610 177.584 0.105 0.000 1.053 269 A CA 0.126 52.238 52.037 0.125 0.000 0.755 269 A CB 0.284 19.426 19.000 0.236 0.000 0.980 269 A HN 0.290 nan 8.150 nan 0.000 0.506 270 E N 1.174 121.432 120.200 0.097 0.000 2.389 270 E HA 0.042 4.393 4.350 0.001 0.000 0.199 270 E C 0.058 176.732 176.600 0.123 0.000 0.978 270 E CA 0.333 56.788 56.400 0.092 0.000 0.912 270 E CB 0.354 30.094 29.700 0.068 0.000 0.907 270 E HN 0.671 nan 8.360 nan 0.000 0.494 271 R N 1.193 121.788 120.500 0.158 0.000 2.439 271 R HA 0.485 4.826 4.340 0.001 0.000 0.310 271 R C -1.261 175.232 176.300 0.321 0.000 0.955 271 R CA -0.409 55.826 56.100 0.224 0.000 0.853 271 R CB 2.436 32.889 30.300 0.254 0.000 1.171 271 R HN -0.147 nan 8.270 nan 0.000 0.449 272 V N 4.938 125.034 119.914 0.303 0.000 2.735 272 V HA 0.508 4.629 4.120 0.001 0.000 0.310 272 V C -0.136 176.118 176.094 0.268 0.000 1.061 272 V CA -0.777 61.728 62.300 0.341 0.000 0.913 272 V CB 2.401 34.424 31.823 0.333 0.000 1.005 272 V HN 0.634 nan 8.190 nan 0.000 0.428 273 I N 3.332 124.049 120.570 0.245 0.000 2.525 273 I HA 0.575 4.746 4.170 0.001 0.000 0.301 273 I C -0.823 175.428 176.117 0.224 0.000 0.992 273 I CA -0.910 60.476 61.300 0.143 0.000 1.162 273 I CB 2.195 40.195 38.000 -0.000 0.000 1.332 273 I HN 0.261 nan 8.210 nan 0.000 0.458 274 V N 4.349 124.406 119.914 0.239 0.000 2.444 274 V HA 0.519 4.640 4.120 0.001 0.000 0.294 274 V C -0.284 175.966 176.094 0.259 0.000 1.022 274 V CA -0.230 62.265 62.300 0.324 0.000 0.850 274 V CB 1.573 33.656 31.823 0.433 0.000 0.992 274 V HN 0.799 nan 8.190 nan 0.000 0.426 275 S N 4.562 120.420 115.700 0.262 0.000 2.638 275 S HA 0.863 5.334 4.470 0.001 0.000 0.274 275 S C -1.202 173.566 174.600 0.281 0.000 1.157 275 S CA -0.635 57.698 58.200 0.221 0.000 0.826 275 S CB 1.963 65.214 63.200 0.086 0.000 1.139 275 S HN 0.747 nan 8.310 nan 0.000 0.474 276 M N 2.081 121.870 119.600 0.316 0.000 2.386 276 M HA 0.636 5.116 4.480 0.001 0.000 0.293 276 M C -0.187 176.352 176.300 0.398 0.000 1.120 276 M CA 0.704 56.200 55.300 0.326 0.000 0.909 276 M CB 1.457 34.258 32.600 0.336 0.000 1.661 276 M HN 1.199 nan 8.290 nan 0.000 0.452 277 G N 1.687 110.654 108.800 0.278 0.000 2.627 277 G HA2 -0.228 3.733 3.960 0.001 0.000 0.214 277 G HA3 -0.228 3.733 3.960 0.001 0.000 0.214 277 G C 0.246 175.302 174.900 0.260 0.000 1.331 277 G CA 0.104 45.389 45.100 0.308 0.000 0.891 277 G HN 1.359 nan 8.290 nan 0.000 0.539 278 S N -0.543 115.318 115.700 0.269 0.000 2.440 278 S HA -0.146 4.325 4.470 0.001 0.000 0.240 278 S C 2.609 177.355 174.600 0.244 0.000 1.014 278 S CA 2.584 60.925 58.200 0.235 0.000 0.980 278 S CB -0.697 62.642 63.200 0.232 0.000 0.775 278 S HN 2.304 nan 8.310 nan 0.000 0.499 279 S N 0.928 116.788 115.700 0.267 0.000 2.419 279 S HA -0.135 4.335 4.470 0.001 0.000 0.233 279 S C 1.948 176.693 174.600 0.242 0.000 1.016 279 S CA 0.979 59.344 58.200 0.276 0.000 0.974 279 S CB -1.509 61.687 63.200 -0.007 0.000 0.786 279 S HN 0.694 nan 8.310 nan 0.000 0.492 280 C N 1.973 121.392 119.300 0.198 0.000 2.422 280 C HA 0.010 4.470 4.460 0.001 0.000 0.279 280 C C 2.959 178.046 174.990 0.161 0.000 1.305 280 C CA 0.628 59.751 59.018 0.174 0.000 1.757 280 C CB -1.180 26.661 27.740 0.168 0.000 1.962 280 C HN 0.587 nan 8.230 nan 0.000 0.499 281 E N 0.586 120.885 120.200 0.164 0.000 2.051 281 E HA -0.143 4.208 4.350 0.001 0.000 0.192 281 E C 2.239 178.930 176.600 0.152 0.000 0.991 281 E CA 1.638 58.121 56.400 0.138 0.000 0.799 281 E CB -0.782 28.994 29.700 0.127 0.000 0.748 281 E HN 0.585 nan 8.360 nan 0.000 0.449 282 T N 1.727 116.400 114.554 0.197 0.000 2.788 282 T HA -0.069 4.282 4.350 0.001 0.000 0.268 282 T C 2.126 176.904 174.700 0.131 0.000 1.044 282 T CA 0.803 63.023 62.100 0.200 0.000 1.139 282 T CB -0.181 68.818 68.868 0.218 0.000 0.867 282 T HN 0.094 nan 8.240 nan 0.000 0.454 283 I N 0.840 121.506 120.570 0.160 0.000 2.226 283 I HA -0.150 4.021 4.170 0.001 0.000 0.245 283 I C 2.702 178.909 176.117 0.151 0.000 1.100 283 I CA 1.328 62.727 61.300 0.166 0.000 1.374 283 I CB -0.306 37.813 38.000 0.198 0.000 1.057 283 I HN 0.313 nan 8.210 nan 0.000 0.413 284 E N 1.034 121.306 120.200 0.120 0.000 2.106 284 E HA -0.285 4.066 4.350 0.001 0.000 0.192 284 E C 2.116 178.764 176.600 0.079 0.000 0.984 284 E CA 1.200 57.648 56.400 0.080 0.000 0.806 284 E CB 0.016 29.751 29.700 0.058 0.000 0.750 284 E HN 0.444 nan 8.360 nan 0.000 0.458 285 E N -0.092 120.166 120.200 0.096 0.000 2.058 285 E HA -0.193 4.158 4.350 0.001 0.000 0.194 285 E C 2.059 178.727 176.600 0.114 0.000 0.997 285 E CA 1.556 58.016 56.400 0.100 0.000 0.801 285 E CB 0.118 29.897 29.700 0.132 0.000 0.746 285 E HN 0.175 nan 8.360 nan 0.000 0.450 286 V N 1.299 121.284 119.914 0.119 0.000 2.358 286 V HA -0.258 3.863 4.120 0.001 0.000 0.246 286 V C 2.394 178.575 176.094 0.146 0.000 1.047 286 V CA 1.553 63.944 62.300 0.152 0.000 1.035 286 V CB -0.398 31.516 31.823 0.152 0.000 0.658 286 V HN 0.345 nan 8.190 nan 0.000 0.452 287 I N 0.608 121.234 120.570 0.092 0.000 2.163 287 I HA -0.261 3.910 4.170 0.001 0.000 0.243 287 I C 2.422 178.554 176.117 0.025 0.000 1.085 287 I CA 1.604 62.910 61.300 0.011 0.000 1.347 287 I CB -0.551 37.449 38.000 -0.000 0.000 1.044 287 I HN 0.387 nan 8.210 nan 0.000 0.408 288 N N -0.082 118.647 118.700 0.050 0.000 2.104 288 N HA -0.257 4.484 4.740 0.001 0.000 0.190 288 N C 1.840 177.381 175.510 0.052 0.000 1.024 288 N CA 1.348 54.421 53.050 0.039 0.000 0.853 288 N CB -0.745 37.767 38.487 0.041 0.000 1.008 288 N HN 0.494 nan 8.380 nan 0.000 0.424 289 H N 0.491 119.565 119.070 0.006 0.000 2.326 289 H HA -0.001 4.556 4.556 0.001 0.000 0.301 289 H C 1.609 176.941 175.328 0.006 0.000 1.081 289 H CA 1.051 57.100 56.048 0.001 0.000 1.334 289 H CB 0.127 29.889 29.762 0.001 0.000 1.385 289 H HN 0.027 nan 8.280 nan 0.000 0.504 290 L N 0.757 122.071 121.223 0.152 0.000 2.131 290 L HA 0.054 4.395 4.340 0.001 0.000 0.206 290 L C 3.025 179.876 176.870 -0.032 0.000 1.087 290 L CA 1.377 56.259 54.840 0.071 0.000 0.767 290 L CB -1.081 41.012 42.059 0.057 0.000 0.917 290 L HN 0.277 nan 8.230 nan 0.000 0.441 291 A N -0.343 122.454 122.820 -0.039 0.000 1.978 291 A HA -0.158 4.163 4.320 0.001 0.000 0.220 291 A C 2.492 180.049 177.584 -0.044 0.000 1.170 291 A CA 1.647 53.659 52.037 -0.042 0.000 0.636 291 A CB -0.808 18.175 19.000 -0.029 0.000 0.810 291 A HN 0.363 nan 8.150 nan 0.000 0.448 292 A N -0.227 122.553 122.820 -0.067 0.000 1.972 292 A HA -0.137 4.184 4.320 0.001 0.000 0.219 292 A C 1.929 179.463 177.584 -0.083 0.000 1.169 292 A CA 1.669 53.657 52.037 -0.081 0.000 0.635 292 A CB -0.334 18.590 19.000 -0.126 0.000 0.810 292 A HN 0.534 nan 8.150 nan 0.000 0.446 293 K N -1.372 118.973 120.400 -0.092 0.000 2.458 293 K HA 0.258 4.578 4.320 0.001 0.000 0.194 293 K C 0.978 177.558 176.600 -0.035 0.000 1.024 293 K CA 0.430 56.678 56.287 -0.066 0.000 1.108 293 K CB -0.014 32.449 32.500 -0.062 0.000 0.846 293 K HN 0.631 nan 8.250 nan 0.000 0.518 294 G N 1.514 110.295 108.800 -0.032 0.000 2.175 294 G HA2 -0.260 3.700 3.960 0.001 0.000 0.244 294 G HA3 -0.260 3.700 3.960 0.001 0.000 0.244 294 G C -0.314 174.576 174.900 -0.017 0.000 0.982 294 G CA -0.305 44.783 45.100 -0.019 0.000 0.641 294 G HN 0.379 nan 8.290 nan 0.000 0.527 295 E N 1.118 121.301 120.200 -0.029 0.000 2.344 295 E HA 0.233 4.584 4.350 0.001 0.000 0.270 295 E C 0.057 176.631 176.600 -0.044 0.000 1.021 295 E CA -0.102 56.274 56.400 -0.040 0.000 0.887 295 E CB 0.478 30.138 29.700 -0.067 0.000 0.997 295 E HN 0.057 nan 8.360 nan 0.000 0.429 296 K N 4.637 125.024 120.400 -0.022 0.000 2.150 296 K HA 0.262 4.583 4.320 0.001 0.000 0.261 296 K C 0.110 176.711 176.600 0.001 0.000 1.127 296 K CA 0.010 56.300 56.287 0.005 0.000 0.989 296 K CB -0.702 31.814 32.500 0.028 0.000 1.475 296 K HN 0.475 nan 8.250 nan 0.000 0.391 297 I N -2.626 117.919 120.570 -0.041 0.000 2.934 297 I HA 0.852 5.023 4.170 0.001 0.000 0.306 297 I C -0.154 175.984 176.117 0.034 0.000 1.110 297 I CA -1.133 60.125 61.300 -0.070 0.000 1.019 297 I CB 2.689 40.372 38.000 -0.530 0.000 1.227 297 I HN 0.298 nan 8.210 nan 0.000 0.434 298 G N 2.551 111.452 108.800 0.169 0.000 2.687 298 G HA2 0.682 4.643 3.960 0.001 0.000 0.291 298 G HA3 0.682 4.643 3.960 0.001 0.000 0.291 298 G C -2.267 172.722 174.900 0.148 0.000 1.420 298 G CA -0.751 44.408 45.100 0.099 0.000 0.796 298 G HN 0.796 nan 8.290 nan 0.000 0.485 299 L N -0.480 120.662 121.223 -0.136 0.000 2.482 299 L HA 0.762 5.103 4.340 0.001 0.000 0.263 299 L C -1.437 175.457 176.870 0.041 0.000 0.957 299 L CA -0.676 54.193 54.840 0.048 0.000 0.836 299 L CB 1.933 44.033 42.059 0.068 0.000 1.324 299 L HN 0.490 nan 8.230 nan 0.000 0.406 300 I N 4.452 125.162 120.570 0.233 0.000 2.330 300 I HA 0.371 4.542 4.170 0.001 0.000 0.289 300 I C -0.320 175.988 176.117 0.318 0.000 1.001 300 I CA -0.638 60.846 61.300 0.305 0.000 1.193 300 I CB 1.252 39.451 38.000 0.332 0.000 1.345 300 I HN 0.559 nan 8.210 nan 0.000 0.461 301 K N 5.686 126.255 120.400 0.282 0.000 2.227 301 K HA 0.425 4.746 4.320 0.001 0.000 0.280 301 K C -0.745 176.032 176.600 0.295 0.000 1.041 301 K CA -0.589 55.854 56.287 0.259 0.000 0.905 301 K CB 1.863 34.480 32.500 0.194 0.000 1.068 301 K HN 0.300 nan 8.250 nan 0.000 0.470 302 V N 4.869 124.957 119.914 0.290 0.000 2.408 302 V HA 0.118 4.239 4.120 0.001 0.000 0.267 302 V C 0.806 176.911 176.094 0.019 0.000 1.047 302 V CA -0.198 62.212 62.300 0.184 0.000 0.937 302 V CB 1.003 33.053 31.823 0.378 0.000 0.999 302 V HN 0.711 nan 8.190 nan 0.000 0.472 303 R N 3.355 123.757 120.500 -0.163 0.000 2.064 303 R HA 0.317 4.657 4.340 0.001 0.000 0.210 303 R C 0.257 176.485 176.300 -0.120 0.000 1.221 303 R CA 0.109 56.139 56.100 -0.117 0.000 1.055 303 R CB -0.191 30.056 30.300 -0.089 0.000 0.946 303 R HN 0.536 nan 8.270 nan 0.000 0.459 304 L N 1.522 122.603 121.223 -0.237 0.000 2.268 304 L HA 0.194 4.534 4.340 0.001 0.000 0.289 304 L C 0.199 177.025 176.870 -0.074 0.000 1.064 304 L CA -0.121 54.651 54.840 -0.113 0.000 0.824 304 L CB 0.729 42.721 42.059 -0.112 0.000 1.202 304 L HN 0.220 nan 8.230 nan 0.000 0.433 305 Y N 5.015 125.345 120.300 0.050 0.000 2.314 305 Y HA 0.289 4.839 4.550 0.001 0.000 0.294 305 Y C 0.423 176.488 175.900 0.275 0.000 1.119 305 Y CA 0.654 58.895 58.100 0.236 0.000 1.179 305 Y CB 0.359 38.999 38.460 0.300 0.000 1.025 305 Y HN 0.422 nan 8.280 nan 0.000 0.541 306 R N 0.432 120.961 120.500 0.047 0.000 2.533 306 R HA 0.339 4.680 4.340 0.001 0.000 0.288 306 R C -3.024 173.258 176.300 -0.031 0.000 1.039 306 R CA -2.377 53.701 56.100 -0.037 0.000 0.909 306 R CB 1.473 31.756 30.300 -0.029 0.000 1.195 306 R HN -0.014 nan 8.270 nan 0.000 0.438 307 P HA 0.109 nan 4.420 nan 0.000 0.272 307 P C -0.604 176.743 177.300 0.078 0.000 1.223 307 P CA -0.218 62.917 63.100 0.058 0.000 0.784 307 P CB 0.380 32.144 31.700 0.107 0.000 0.923 308 F N 3.347 123.264 119.950 -0.055 0.000 2.390 308 F HA 0.251 4.778 4.527 0.001 0.000 0.361 308 F C -0.424 175.440 175.800 0.107 0.000 1.124 308 F CA -0.279 57.733 58.000 0.021 0.000 1.149 308 F CB 0.354 39.298 39.000 -0.094 0.000 1.160 308 F HN -0.057 nan 8.300 nan 0.000 0.501 309 V N 7.010 126.886 119.914 -0.063 0.000 2.334 309 V HA 0.077 4.198 4.120 0.001 0.000 0.267 309 V C 0.926 176.955 176.094 -0.109 0.000 1.040 309 V CA 0.271 62.585 62.300 0.022 0.000 0.866 309 V CB 0.558 32.444 31.823 0.105 0.000 1.019 309 V HN 0.937 nan 8.190 nan 0.000 0.468 310 S N 2.796 118.484 115.700 -0.020 0.000 2.382 310 S HA -0.243 4.227 4.470 0.001 0.000 0.228 310 S C 1.647 176.274 174.600 0.046 0.000 1.027 310 S CA 1.572 59.753 58.200 -0.032 0.000 0.991 310 S CB -0.233 63.056 63.200 0.148 0.000 0.823 310 S HN 0.816 nan 8.310 nan 0.000 0.469 311 E N 1.688 121.951 120.200 0.105 0.000 2.110 311 E HA -0.117 4.233 4.350 0.001 0.000 0.193 311 E C 2.087 178.730 176.600 0.072 0.000 0.988 311 E CA 1.054 57.533 56.400 0.131 0.000 0.804 311 E CB -0.489 29.267 29.700 0.094 0.000 0.745 311 E HN 0.703 nan 8.360 nan 0.000 0.458 312 A N 0.296 123.142 122.820 0.044 0.000 1.968 312 A HA -0.098 4.223 4.320 0.001 0.000 0.217 312 A C 1.900 179.405 177.584 -0.133 0.000 1.169 312 A CA 0.853 52.948 52.037 0.096 0.000 0.638 312 A CB -0.686 18.514 19.000 0.333 0.000 0.812 312 A HN 0.506 nan 8.150 nan 0.000 0.446 313 F N -0.227 119.236 119.950 -0.812 0.000 2.113 313 F HA -0.099 4.429 4.527 0.001 0.000 0.297 313 F C 1.809 177.242 175.800 -0.611 0.000 1.103 313 F CA 1.532 58.770 58.000 -1.270 0.000 1.248 313 F CB -0.444 37.653 39.000 -1.506 0.000 0.999 313 F HN 0.215 nan 8.300 nan 0.000 0.475 314 F N 0.268 120.000 119.950 -0.364 0.000 2.293 314 F HA -0.043 4.485 4.527 0.001 0.000 0.300 314 F C 2.486 178.119 175.800 -0.278 0.000 1.086 314 F CA 0.637 58.424 58.000 -0.356 0.000 1.375 314 F CB -0.723 38.167 39.000 -0.183 0.000 1.045 314 F HN 0.091 nan 8.300 nan 0.000 0.516 315 A N -0.234 122.563 122.820 -0.038 0.000 2.121 315 A HA 0.080 4.400 4.320 0.001 0.000 0.218 315 A C 2.092 179.635 177.584 -0.069 0.000 1.154 315 A CA 1.419 53.441 52.037 -0.024 0.000 0.679 315 A CB -0.734 18.278 19.000 0.020 0.000 0.795 315 A HN 0.275 nan 8.150 nan 0.000 0.458 316 A N -1.422 121.310 122.820 -0.148 0.000 2.348 316 A HA 0.473 4.793 4.320 0.001 0.000 0.224 316 A C 0.592 178.024 177.584 -0.254 0.000 1.227 316 A CA -0.167 51.805 52.037 -0.108 0.000 0.885 316 A CB 0.060 19.072 19.000 0.019 0.000 0.933 316 A HN 0.371 nan 8.150 nan 0.000 0.506 317 L N 1.755 122.778 121.223 -0.334 0.000 2.265 317 L HA 0.444 4.785 4.340 0.001 0.000 0.288 317 L C -2.882 173.846 176.870 -0.238 0.000 1.058 317 L CA -1.815 52.844 54.840 -0.302 0.000 0.809 317 L CB 1.095 42.983 42.059 -0.285 0.000 1.179 317 L HN -0.015 nan 8.230 nan 0.000 0.429 318 P HA 0.155 nan 4.420 nan 0.000 0.271 318 P C 0.326 177.582 177.300 -0.073 0.000 1.220 318 P CA -0.162 62.793 63.100 -0.242 0.000 0.768 318 P CB 0.963 32.493 31.700 -0.283 0.000 0.848 319 A N 2.976 125.765 122.820 -0.051 0.000 2.076 319 A HA -0.171 4.150 4.320 0.001 0.000 0.220 319 A C 1.951 179.548 177.584 0.021 0.000 1.160 319 A CA 2.004 54.039 52.037 -0.004 0.000 0.653 319 A CB -1.232 17.759 19.000 -0.015 0.000 0.801 319 A HN 0.586 nan 8.150 nan 0.000 0.455 320 S N -0.294 115.412 115.700 0.010 0.000 2.522 320 S HA 0.403 4.874 4.470 0.001 0.000 0.227 320 S C 1.013 175.646 174.600 0.055 0.000 0.986 320 S CA 0.300 58.518 58.200 0.029 0.000 0.929 320 S CB -0.665 62.549 63.200 0.023 0.000 0.769 320 S HN 0.943 nan 8.310 nan 0.000 0.529 321 A N 1.868 124.732 122.820 0.072 0.000 2.545 321 A HA 0.339 4.660 4.320 0.001 0.000 0.253 321 A C 1.141 178.788 177.584 0.104 0.000 1.074 321 A CA -0.267 51.836 52.037 0.109 0.000 0.760 321 A CB 0.242 19.330 19.000 0.147 0.000 1.005 321 A HN 0.242 nan 8.150 nan 0.000 0.506 322 K N 1.417 121.871 120.400 0.090 0.000 2.365 322 K HA 0.242 4.563 4.320 0.001 0.000 0.195 322 K C -0.256 176.378 176.600 0.057 0.000 1.079 322 K CA 0.662 56.989 56.287 0.067 0.000 0.979 322 K CB 0.639 33.172 32.500 0.055 0.000 0.929 322 K HN 0.486 nan 8.250 nan 0.000 0.523 323 V N 2.167 122.128 119.914 0.078 0.000 2.760 323 V HA 0.487 4.607 4.120 0.001 0.000 0.309 323 V C -0.632 175.526 176.094 0.105 0.000 1.077 323 V CA -0.825 61.517 62.300 0.071 0.000 0.910 323 V CB 2.516 34.383 31.823 0.074 0.000 1.008 323 V HN -0.033 nan 8.190 nan 0.000 0.424 324 I N 2.656 123.278 120.570 0.087 0.000 2.533 324 I HA 0.500 4.671 4.170 0.001 0.000 0.290 324 I C -0.364 175.832 176.117 0.131 0.000 1.056 324 I CA -0.278 61.105 61.300 0.139 0.000 1.057 324 I CB 2.573 40.675 38.000 0.169 0.000 1.240 324 I HN 0.516 nan 8.210 nan 0.000 0.423 325 T N 5.380 120.021 114.554 0.144 0.000 2.770 325 T HA 0.435 4.786 4.350 0.001 0.000 0.283 325 T C -0.293 174.493 174.700 0.144 0.000 0.988 325 T CA -0.443 61.736 62.100 0.131 0.000 0.957 325 T CB 1.617 70.560 68.868 0.125 0.000 0.930 325 T HN 0.171 nan 8.240 nan 0.000 0.443 326 V N 5.600 125.600 119.914 0.145 0.000 2.350 326 V HA 0.397 4.518 4.120 0.001 0.000 0.276 326 V C -0.038 176.105 176.094 0.080 0.000 1.028 326 V CA -0.790 61.617 62.300 0.177 0.000 0.860 326 V CB 0.859 32.844 31.823 0.269 0.000 0.990 326 V HN 0.734 nan 8.190 nan 0.000 0.453 327 L N 4.708 125.983 121.223 0.088 0.000 2.275 327 L HA 0.557 4.898 4.340 0.001 0.000 0.288 327 L C -0.158 176.849 176.870 0.229 0.000 1.046 327 L CA -0.191 54.686 54.840 0.062 0.000 0.805 327 L CB 1.113 43.092 42.059 -0.133 0.000 1.193 327 L HN 0.559 nan 8.230 nan 0.000 0.426 328 D N 2.916 123.427 120.400 0.184 0.000 2.278 328 D HA 0.184 4.825 4.640 0.001 0.000 0.245 328 D C -0.187 176.106 176.300 -0.011 0.000 1.052 328 D CA -0.491 53.611 54.000 0.170 0.000 0.834 328 D CB 2.392 43.220 40.800 0.047 0.000 1.194 328 D HN 0.377 nan 8.370 nan 0.000 0.481 329 R N 1.871 122.290 120.500 -0.135 0.000 4.306 329 R HA 0.193 4.534 4.340 0.001 0.000 0.266 329 R C -0.347 175.806 176.300 -0.245 0.000 1.624 329 R CA 0.075 55.794 56.100 -0.635 0.000 1.487 329 R CB 0.096 29.747 30.300 -1.082 0.000 1.441 329 R HN 0.347 nan 8.270 nan 0.000 0.750 330 T N -0.773 113.727 114.554 -0.089 0.000 2.661 330 T HA 0.282 4.633 4.350 0.001 0.000 0.305 330 T C -2.025 172.646 174.700 -0.048 0.000 1.441 330 T CA -0.747 61.354 62.100 0.001 0.000 0.999 330 T CB 1.420 70.414 68.868 0.210 0.000 1.650 330 T HN 0.226 nan 8.240 nan 0.000 0.489 331 K N 1.809 122.190 120.400 -0.031 0.000 2.615 331 K HA 0.369 4.690 4.320 0.001 0.000 0.249 331 K C -1.473 175.104 176.600 -0.039 0.000 0.977 331 K CA -0.392 55.867 56.287 -0.047 0.000 0.833 331 K CB 1.286 33.762 32.500 -0.040 0.000 1.208 331 K HN 0.621 nan 8.250 nan 0.000 0.443 332 E N 5.080 125.245 120.200 -0.058 0.000 2.121 332 E HA 0.232 4.583 4.350 0.001 0.000 0.255 332 E C -2.485 174.085 176.600 -0.049 0.000 0.906 332 E CA -2.026 54.344 56.400 -0.051 0.000 0.745 332 E CB 1.331 30.988 29.700 -0.071 0.000 1.155 332 E HN 0.360 nan 8.360 nan 0.000 0.424 333 P HA -0.064 nan 4.420 nan 0.000 0.260 333 P C 0.885 178.162 177.300 -0.039 0.000 1.172 333 P CA 0.923 64.002 63.100 -0.035 0.000 0.760 333 P CB 0.491 32.179 31.700 -0.019 0.000 0.773 334 G N 2.088 110.858 108.800 -0.050 0.000 2.205 334 G HA2 -0.215 3.746 3.960 0.001 0.000 0.261 334 G HA3 -0.215 3.746 3.960 0.001 0.000 0.261 334 G C 0.497 175.363 174.900 -0.056 0.000 0.980 334 G CA 0.012 45.082 45.100 -0.050 0.000 0.632 334 G HN 0.869 nan 8.290 nan 0.000 0.533 335 A N 0.967 123.751 122.820 -0.060 0.000 2.386 335 A HA 0.657 4.978 4.320 0.001 0.000 0.248 335 A C 0.197 177.739 177.584 -0.070 0.000 1.082 335 A CA -0.088 51.916 52.037 -0.055 0.000 0.789 335 A CB 0.434 19.402 19.000 -0.054 0.000 1.025 335 A HN 0.223 nan 8.150 nan 0.000 0.490 336 P HA 0.123 nan 4.420 nan 0.000 0.233 336 P C 0.529 177.833 177.300 0.006 0.000 1.167 336 P CA 1.406 64.484 63.100 -0.036 0.000 0.770 336 P CB 0.182 31.892 31.700 0.016 0.000 0.837 337 G N -0.762 108.069 108.800 0.051 0.000 2.489 337 G HA2 0.201 4.162 3.960 0.001 0.000 0.291 337 G HA3 0.201 4.162 3.960 0.001 0.000 0.291 337 G C -1.879 173.066 174.900 0.076 0.000 1.487 337 G CA -0.613 44.580 45.100 0.154 0.000 0.795 337 G HN -0.219 nan 8.290 nan 0.000 0.513 338 D N 0.769 121.186 120.400 0.027 0.000 2.358 338 D HA 0.287 4.928 4.640 0.001 0.000 0.244 338 D C -1.195 175.044 176.300 -0.103 0.000 1.163 338 D CA -1.236 52.711 54.000 -0.088 0.000 0.945 338 D CB 1.546 42.272 40.800 -0.125 0.000 1.152 338 D HN -0.010 nan 8.370 nan 0.000 0.451 339 P HA -0.199 nan 4.420 nan 0.000 0.216 339 P C 1.567 178.810 177.300 -0.095 0.000 1.167 339 P CA 0.865 63.768 63.100 -0.328 0.000 0.914 339 P CB 0.156 31.341 31.700 -0.858 0.000 0.793 340 L N -1.995 119.215 121.223 -0.021 0.000 2.046 340 L HA -0.170 4.171 4.340 0.001 0.000 0.208 340 L C 2.432 179.353 176.870 0.085 0.000 1.077 340 L CA 1.699 56.647 54.840 0.180 0.000 0.747 340 L CB -1.658 40.584 42.059 0.304 0.000 0.896 340 L HN -0.056 nan 8.230 nan 0.000 0.432 341 Y N -0.860 119.421 120.300 -0.031 0.000 2.128 341 Y HA -0.272 4.279 4.550 0.001 0.000 0.284 341 Y C 2.231 178.089 175.900 -0.072 0.000 1.154 341 Y CA 1.809 59.886 58.100 -0.038 0.000 1.149 341 Y CB -0.403 38.034 38.460 -0.038 0.000 0.976 341 Y HN 0.170 nan 8.280 nan 0.000 0.505 342 L N 0.745 121.882 121.223 -0.145 0.000 2.046 342 L HA -0.221 4.120 4.340 0.001 0.000 0.208 342 L C 2.073 178.752 176.870 -0.319 0.000 1.077 342 L CA 1.907 56.591 54.840 -0.260 0.000 0.747 342 L CB -1.163 40.821 42.059 -0.124 0.000 0.896 342 L HN 0.279 nan 8.230 nan 0.000 0.432 343 D N -1.076 119.101 120.400 -0.372 0.000 2.117 343 D HA -0.127 4.514 4.640 0.001 0.000 0.197 343 D C 2.363 178.286 176.300 -0.628 0.000 0.987 343 D CA 1.134 54.735 54.000 -0.665 0.000 0.829 343 D CB -0.109 39.967 40.800 -1.208 0.000 0.961 343 D HN 0.164 nan 8.370 nan 0.000 0.460 344 V N 0.773 120.408 119.914 -0.464 0.000 2.358 344 V HA -0.241 3.880 4.120 0.001 0.000 0.246 344 V C 2.724 178.756 176.094 -0.103 0.000 1.047 344 V CA 1.124 63.217 62.300 -0.346 0.000 1.035 344 V CB -0.487 31.233 31.823 -0.172 0.000 0.658 344 V HN 0.275 nan 8.190 nan 0.000 0.452 345 C N 0.660 119.825 119.300 -0.225 0.000 2.432 345 C HA -0.155 4.305 4.460 0.001 0.000 0.277 345 C C 3.311 178.288 174.990 -0.021 0.000 1.249 345 C CA 1.577 60.504 59.018 -0.151 0.000 1.725 345 C CB -1.097 26.409 27.740 -0.390 0.000 2.028 345 C HN 0.774 nan 8.230 nan 0.000 0.477 346 S N 1.709 117.345 115.700 -0.107 0.000 2.399 346 S HA -0.118 4.353 4.470 0.001 0.000 0.231 346 S C 1.944 176.556 174.600 0.019 0.000 1.022 346 S CA 1.532 59.701 58.200 -0.052 0.000 0.983 346 S CB -0.520 62.617 63.200 -0.105 0.000 0.803 346 S HN 0.622 nan 8.310 nan 0.000 0.480 347 A N 1.083 123.892 122.820 -0.017 0.000 1.877 347 A HA 0.106 4.426 4.320 0.001 0.000 0.216 347 A C 1.930 179.641 177.584 0.212 0.000 1.186 347 A CA 1.441 53.491 52.037 0.022 0.000 0.620 347 A CB -1.118 17.676 19.000 -0.343 0.000 0.822 347 A HN 0.565 nan 8.150 nan 0.000 0.443 348 F N -0.372 119.726 119.950 0.247 0.000 2.186 348 F HA -0.109 4.419 4.527 0.001 0.000 0.299 348 F C 2.429 178.317 175.800 0.148 0.000 1.090 348 F CA 1.358 59.538 58.000 0.300 0.000 1.307 348 F CB -0.398 38.724 39.000 0.203 0.000 1.019 348 F HN 0.022 nan 8.300 nan 0.000 0.489 349 V N 0.017 120.081 119.914 0.250 0.000 2.343 349 V HA -0.278 3.843 4.120 0.001 0.000 0.247 349 V C 2.086 178.240 176.094 0.100 0.000 1.051 349 V CA 2.037 64.420 62.300 0.137 0.000 1.036 349 V CB -0.573 31.296 31.823 0.077 0.000 0.654 349 V HN 0.331 nan 8.190 nan 0.000 0.451 350 E N -0.285 119.973 120.200 0.097 0.000 2.106 350 E HA -0.227 4.124 4.350 0.001 0.000 0.192 350 E C 2.406 179.034 176.600 0.047 0.000 0.984 350 E CA 0.948 57.390 56.400 0.069 0.000 0.806 350 E CB -0.187 29.559 29.700 0.076 0.000 0.750 350 E HN 0.446 nan 8.360 nan 0.000 0.458 351 R N 0.232 120.758 120.500 0.044 0.000 2.096 351 R HA -0.131 4.209 4.340 0.001 0.000 0.235 351 R C 1.394 177.666 176.300 -0.047 0.000 1.127 351 R CA 1.403 57.455 56.100 -0.080 0.000 0.968 351 R CB -0.270 29.854 30.300 -0.295 0.000 0.861 351 R HN 0.299 nan 8.270 nan 0.000 0.440 352 G N -0.076 108.733 108.800 0.015 0.000 2.168 352 G HA2 -0.317 3.643 3.960 0.001 0.000 0.257 352 G HA3 -0.317 3.643 3.960 0.001 0.000 0.257 352 G C -0.098 174.808 174.900 0.011 0.000 0.997 352 G CA 1.017 46.130 45.100 0.021 0.000 0.708 352 G HN 0.534 nan 8.290 nan 0.000 0.520 353 E N -0.144 120.057 120.200 0.002 0.000 3.317 353 E HA 0.697 5.048 4.350 0.001 0.000 0.304 353 E C 1.268 177.900 176.600 0.054 0.000 0.561 353 E CA -0.478 55.921 56.400 -0.001 0.000 2.041 353 E CB 0.201 29.863 29.700 -0.063 0.000 2.037 353 E HN 0.681 nan 8.360 nan 0.000 0.428 354 A N 1.158 124.015 122.820 0.061 0.000 2.531 354 A HA 0.116 4.437 4.320 0.001 0.000 0.236 354 A C -0.181 177.512 177.584 0.182 0.000 1.062 354 A CA 0.583 52.681 52.037 0.101 0.000 0.760 354 A CB -0.004 19.056 19.000 0.099 0.000 0.995 354 A HN 0.301 nan 8.150 nan 0.000 0.501 355 M N 4.734 124.406 119.600 0.120 0.000 2.065 355 M HA 0.259 4.740 4.480 0.001 0.000 0.308 355 M C -2.232 174.063 176.300 -0.009 0.000 0.939 355 M CA -2.019 53.330 55.300 0.082 0.000 0.890 355 M CB 0.340 32.974 32.600 0.058 0.000 1.383 355 M HN 0.582 nan 8.290 nan 0.000 0.381 356 P HA 0.215 nan 4.420 nan 0.000 0.273 356 P C -0.392 176.832 177.300 -0.127 0.000 1.250 356 P CA -0.443 62.619 63.100 -0.063 0.000 0.793 356 P CB 1.012 32.696 31.700 -0.027 0.000 1.011 357 K N 1.155 121.519 120.400 -0.059 0.000 2.368 357 K HA 0.205 4.526 4.320 0.001 0.000 0.282 357 K C -0.380 176.182 176.600 -0.063 0.000 1.035 357 K CA 0.134 56.394 56.287 -0.046 0.000 0.973 357 K CB -0.365 32.133 32.500 -0.004 0.000 0.957 357 K HN 0.258 nan 8.250 nan 0.000 0.474 358 I N 6.112 126.647 120.570 -0.059 0.000 2.362 358 I HA 0.283 4.454 4.170 0.001 0.000 0.289 358 I C -0.728 175.440 176.117 0.084 0.000 0.994 358 I CA -1.009 60.287 61.300 -0.008 0.000 1.158 358 I CB 0.847 38.814 38.000 -0.055 0.000 1.315 358 I HN 0.446 nan 8.210 nan 0.000 0.451 359 L N 5.092 126.361 121.223 0.078 0.000 2.334 359 L HA 0.761 5.102 4.340 0.001 0.000 0.273 359 L C 0.235 177.028 176.870 -0.128 0.000 1.013 359 L CA -0.653 54.179 54.840 -0.013 0.000 0.816 359 L CB 1.786 43.893 42.059 0.081 0.000 1.278 359 L HN 0.702 nan 8.230 nan 0.000 0.431 360 A N 1.260 123.770 122.820 -0.516 0.000 2.318 360 A HA 0.889 5.209 4.320 0.001 0.000 0.324 360 A C -0.130 176.946 177.584 -0.846 0.000 1.170 360 A CA -0.098 51.504 52.037 -0.725 0.000 0.810 360 A CB 1.154 19.360 19.000 -1.325 0.000 1.198 360 A HN 0.748 nan 8.150 nan 0.000 0.484 361 G N 0.921 109.210 108.800 -0.852 0.000 2.638 361 G HA2 0.585 4.545 3.960 0.001 0.000 0.302 361 G HA3 0.585 4.545 3.960 0.001 0.000 0.302 361 G C -0.896 173.673 174.900 -0.551 0.000 1.365 361 G CA -0.677 43.537 45.100 -1.477 0.000 0.987 361 G HN 0.848 nan 8.290 nan 0.000 0.495 362 R N 0.634 120.906 120.500 -0.379 0.000 2.514 362 R HA 0.713 5.054 4.340 0.001 0.000 0.301 362 R C -1.115 175.225 176.300 0.066 0.000 0.962 362 R CA -0.750 55.288 56.100 -0.104 0.000 0.882 362 R CB 1.305 31.534 30.300 -0.119 0.000 1.143 362 R HN 0.728 nan 8.270 nan 0.000 0.452 363 Y N 0.150 120.360 120.300 -0.150 0.000 2.744 363 Y HA 0.528 5.079 4.550 0.001 0.000 0.330 363 Y C 0.549 176.361 175.900 -0.147 0.000 1.263 363 Y CA -0.991 57.030 58.100 -0.131 0.000 1.065 363 Y CB 0.478 38.737 38.460 -0.335 0.000 1.306 363 Y HN 0.712 nan 8.280 nan 0.000 0.459 364 G N 0.851 109.550 108.800 -0.169 0.000 2.269 364 G HA2 -0.286 3.675 3.960 0.001 0.000 0.277 364 G HA3 -0.286 3.675 3.960 0.001 0.000 0.277 364 G C -0.177 174.582 174.900 -0.235 0.000 1.008 364 G CA 0.549 45.516 45.100 -0.221 0.000 0.774 364 G HN 0.747 nan 8.290 nan 0.000 0.511 365 L N -0.315 120.797 121.223 -0.185 0.000 2.499 365 L HA 0.379 4.720 4.340 0.001 0.000 0.273 365 L C 1.742 178.588 176.870 -0.040 0.000 1.195 365 L CA 0.826 55.597 54.840 -0.116 0.000 0.882 365 L CB 0.290 42.304 42.059 -0.076 0.000 1.133 365 L HN 0.806 nan 8.230 nan 0.000 0.483 366 G N 2.477 111.284 108.800 0.011 0.000 2.366 366 G HA2 -0.315 3.645 3.960 0.001 0.000 0.299 366 G HA3 -0.315 3.645 3.960 0.001 0.000 0.299 366 G C 0.633 175.572 174.900 0.066 0.000 1.020 366 G CA 0.433 45.590 45.100 0.094 0.000 1.026 366 G HN 0.787 nan 8.290 nan 0.000 0.512 367 S N -2.356 113.390 115.700 0.078 0.000 3.476 367 S HA -0.240 4.231 4.470 0.001 0.000 0.309 367 S C 1.084 175.665 174.600 -0.033 0.000 1.222 367 S CA 1.845 60.076 58.200 0.052 0.000 0.922 367 S CB -0.637 62.607 63.200 0.073 0.000 1.023 367 S HN 1.530 nan 8.310 nan 0.000 0.591 368 K N 2.636 123.021 120.400 -0.025 0.000 2.489 368 K HA 0.083 4.403 4.320 0.001 0.000 0.278 368 K C 0.223 176.860 176.600 0.062 0.000 1.000 368 K CA 0.363 56.647 56.287 -0.005 0.000 1.012 368 K CB 0.397 32.906 32.500 0.015 0.000 0.903 368 K HN 0.129 nan 8.250 nan 0.000 0.485 369 E N 2.912 123.141 120.200 0.047 0.000 2.502 369 E HA -0.094 4.257 4.350 0.001 0.000 0.261 369 E C -0.748 175.980 176.600 0.215 0.000 0.974 369 E CA 0.607 57.058 56.400 0.085 0.000 0.936 369 E CB 0.128 29.846 29.700 0.030 0.000 0.926 369 E HN 0.538 nan 8.360 nan 0.000 0.459 370 F N 2.766 122.752 119.950 0.060 0.000 2.564 370 F HA 0.134 4.662 4.527 0.001 0.000 0.368 370 F C 0.134 175.919 175.800 -0.025 0.000 1.127 370 F CA -0.463 57.574 58.000 0.061 0.000 1.170 370 F CB 0.430 39.521 39.000 0.151 0.000 1.397 370 F HN 0.300 nan 8.300 nan 0.000 0.493 371 S N 3.631 119.095 115.700 -0.392 0.000 2.707 371 S HA 0.519 4.990 4.470 0.001 0.000 0.276 371 S C -2.131 172.062 174.600 -0.678 0.000 1.179 371 S CA -1.245 56.616 58.200 -0.566 0.000 0.992 371 S CB 1.559 64.530 63.200 -0.383 0.000 1.030 371 S HN 0.324 nan 8.310 nan 0.000 0.554 372 P HA -0.021 nan 4.420 nan 0.000 0.216 372 P C 1.554 178.693 177.300 -0.269 0.000 1.150 372 P CA 1.911 64.809 63.100 -0.336 0.000 0.837 372 P CB -0.269 31.326 31.700 -0.175 0.000 0.786 373 A N -1.162 121.540 122.820 -0.197 0.000 1.972 373 A HA -0.203 4.118 4.320 0.001 0.000 0.219 373 A C 2.146 179.508 177.584 -0.369 0.000 1.169 373 A CA 1.771 53.638 52.037 -0.282 0.000 0.635 373 A CB -1.372 17.566 19.000 -0.103 0.000 0.810 373 A HN 0.135 nan 8.150 nan 0.000 0.446 374 M N -0.975 118.401 119.600 -0.373 0.000 2.200 374 M HA -0.092 4.389 4.480 0.001 0.000 0.265 374 M C 2.050 178.108 176.300 -0.403 0.000 1.066 374 M CA 1.105 56.196 55.300 -0.349 0.000 1.127 374 M CB -0.295 32.083 32.600 -0.369 0.000 1.379 374 M HN 0.246 nan 8.290 nan 0.000 0.420 375 V N 0.516 120.097 119.914 -0.555 0.000 2.343 375 V HA -0.256 3.865 4.120 0.001 0.000 0.247 375 V C 2.342 178.313 176.094 -0.205 0.000 1.051 375 V CA 1.802 63.883 62.300 -0.365 0.000 1.036 375 V CB -0.718 30.946 31.823 -0.264 0.000 0.654 375 V HN 0.381 nan 8.190 nan 0.000 0.451 376 K N 0.760 120.951 120.400 -0.348 0.000 2.063 376 K HA -0.177 4.144 4.320 0.001 0.000 0.208 376 K C 2.448 178.895 176.600 -0.255 0.000 1.048 376 K CA 1.998 58.047 56.287 -0.397 0.000 0.928 376 K CB -0.846 31.006 32.500 -1.081 0.000 0.713 376 K HN 0.358 nan 8.250 nan 0.000 0.442 377 S N -0.683 114.844 115.700 -0.288 0.000 2.382 377 S HA -0.093 4.378 4.470 0.001 0.000 0.228 377 S C 1.833 176.288 174.600 -0.240 0.000 1.027 377 S CA 1.371 59.430 58.200 -0.235 0.000 0.991 377 S CB -0.312 62.756 63.200 -0.220 0.000 0.823 377 S HN 0.167 nan 8.310 nan 0.000 0.469 378 V N 0.432 120.205 119.914 -0.235 0.000 2.358 378 V HA -0.122 3.999 4.120 0.001 0.000 0.246 378 V C 1.981 177.937 176.094 -0.229 0.000 1.047 378 V CA 1.836 63.980 62.300 -0.260 0.000 1.035 378 V CB -0.889 30.836 31.823 -0.164 0.000 0.658 378 V HN 0.588 nan 8.190 nan 0.000 0.452 379 Y N 0.304 120.550 120.300 -0.089 0.000 2.200 379 Y HA -0.184 4.367 4.550 0.001 0.000 0.290 379 Y C 2.567 178.423 175.900 -0.074 0.000 1.137 379 Y CA 1.419 59.486 58.100 -0.056 0.000 1.163 379 Y CB -0.169 38.261 38.460 -0.051 0.000 0.988 379 Y HN 0.280 nan 8.280 nan 0.000 0.518 380 D N -0.257 120.163 120.400 0.033 0.000 2.178 380 D HA -0.183 4.458 4.640 0.001 0.000 0.201 380 D C 1.720 177.990 176.300 -0.050 0.000 0.980 380 D CA 1.151 55.139 54.000 -0.021 0.000 0.842 380 D CB -0.503 40.254 40.800 -0.072 0.000 0.948 380 D HN 0.309 nan 8.370 nan 0.000 0.472 381 N N 0.183 118.817 118.700 -0.110 0.000 2.166 381 N HA -0.102 4.639 4.740 0.001 0.000 0.186 381 N C 1.697 177.169 175.510 -0.064 0.000 1.019 381 N CA 0.880 53.845 53.050 -0.143 0.000 0.856 381 N CB -0.118 38.183 38.487 -0.310 0.000 0.993 381 N HN 0.098 nan 8.380 nan 0.000 0.426 382 M N -0.663 118.927 119.600 -0.017 0.000 2.394 382 M HA -0.038 4.442 4.480 0.001 0.000 0.264 382 M C 1.402 177.725 176.300 0.038 0.000 1.073 382 M CA 1.128 56.447 55.300 0.033 0.000 1.111 382 M CB -0.023 32.628 32.600 0.085 0.000 1.401 382 M HN 0.314 nan 8.290 nan 0.000 0.448 383 S N -1.484 114.235 115.700 0.032 0.000 2.540 383 S HA 0.269 4.740 4.470 0.001 0.000 0.218 383 S C 1.028 175.633 174.600 0.009 0.000 0.977 383 S CA -0.049 58.167 58.200 0.028 0.000 0.918 383 S CB 0.272 63.492 63.200 0.034 0.000 0.806 383 S HN 0.392 nan 8.310 nan 0.000 0.496 384 G N 1.317 110.113 108.800 -0.006 0.000 3.157 384 G HA2 0.581 4.542 3.960 0.001 0.000 0.206 384 G HA3 0.581 4.542 3.960 0.001 0.000 0.206 384 G C 1.278 176.168 174.900 -0.017 0.000 1.903 384 G CA 0.021 45.112 45.100 -0.016 0.000 0.771 384 G HN 0.435 nan 8.290 nan 0.000 0.750 385 A N -0.422 122.379 122.820 -0.031 0.000 1.972 385 A HA 0.124 4.444 4.320 0.001 0.000 0.219 385 A C 1.342 178.916 177.584 -0.017 0.000 1.169 385 A CA 1.964 53.986 52.037 -0.025 0.000 0.635 385 A CB -0.627 18.351 19.000 -0.036 0.000 0.810 385 A HN 0.636 nan 8.150 nan 0.000 0.446 386 K N -1.133 119.252 120.400 -0.026 0.000 3.125 386 K HA -0.169 4.152 4.320 0.001 0.000 0.268 386 K C -0.122 176.485 176.600 0.011 0.000 1.078 386 K CA 0.898 57.181 56.287 -0.005 0.000 0.775 386 K CB -1.466 31.039 32.500 0.009 0.000 1.253 386 K HN 0.668 nan 8.250 nan 0.000 0.486 387 K N 1.460 121.858 120.400 -0.004 0.000 2.451 387 K HA 0.043 4.363 4.320 0.001 0.000 0.280 387 K C 0.117 176.806 176.600 0.149 0.000 1.020 387 K CA -0.018 56.296 56.287 0.046 0.000 1.008 387 K CB 0.452 32.958 32.500 0.011 0.000 0.917 387 K HN 0.132 nan 8.250 nan 0.000 0.478 388 N N 1.484 120.242 118.700 0.096 0.000 2.443 388 N HA 0.172 4.912 4.740 0.001 0.000 0.293 388 N C -1.150 174.341 175.510 -0.031 0.000 1.159 388 N CA -0.130 52.901 53.050 -0.032 0.000 0.904 388 N CB 0.587 38.973 38.487 -0.167 0.000 1.214 388 N HN 0.630 nan 8.380 nan 0.000 0.513 389 H N 0.127 119.107 119.070 -0.149 0.000 2.604 389 H HA -0.212 4.345 4.556 0.001 0.000 0.321 389 H C -0.512 174.743 175.328 -0.122 0.000 1.132 389 H CA 0.874 56.782 56.048 -0.233 0.000 1.129 389 H CB -2.085 27.580 29.762 -0.163 0.000 1.526 389 H HN 0.407 nan 8.280 nan 0.000 0.415 390 F N -0.457 119.481 119.950 -0.020 0.000 2.410 390 F HA 0.713 5.240 4.527 0.001 0.000 0.324 390 F C 0.579 176.383 175.800 0.007 0.000 1.093 390 F CA -0.563 57.435 58.000 -0.004 0.000 1.028 390 F CB 0.931 39.920 39.000 -0.018 0.000 1.309 390 F HN 0.022 nan 8.300 nan 0.000 0.499 391 T N -0.687 114.078 114.554 0.352 0.000 2.908 391 T HA 0.788 5.139 4.350 0.001 0.000 0.290 391 T C -1.193 173.733 174.700 0.377 0.000 1.034 391 T CA -0.795 61.450 62.100 0.243 0.000 1.010 391 T CB 1.503 70.442 68.868 0.119 0.000 1.068 391 T HN 0.718 nan 8.240 nan 0.000 0.481 392 V N 1.000 121.111 119.914 0.329 0.000 2.733 392 V HA 0.776 4.897 4.120 0.001 0.000 0.306 392 V C 0.951 177.185 176.094 0.234 0.000 1.084 392 V CA -0.001 62.466 62.300 0.278 0.000 0.905 392 V CB 1.122 33.160 31.823 0.359 0.000 1.010 392 V HN 1.495 nan 8.190 nan 0.000 0.424 393 G N 3.986 112.876 108.800 0.151 0.000 2.255 393 G HA2 -0.118 3.843 3.960 0.001 0.000 0.196 393 G HA3 -0.118 3.843 3.960 0.001 0.000 0.196 393 G C -0.130 174.818 174.900 0.080 0.000 0.998 393 G CA 0.134 45.308 45.100 0.124 0.000 0.656 393 G HN 1.183 nan 8.290 nan 0.000 0.490 394 I N -2.548 118.069 120.570 0.078 0.000 3.145 394 I HA 0.854 5.025 4.170 0.001 0.000 0.313 394 I C -0.670 175.482 176.117 0.058 0.000 1.122 394 I CA -1.399 59.938 61.300 0.063 0.000 0.987 394 I CB 2.282 40.315 38.000 0.056 0.000 1.236 394 I HN -0.029 nan 8.210 nan 0.000 0.453 395 E N 2.450 122.685 120.200 0.058 0.000 2.063 395 E HA 0.132 4.483 4.350 0.001 0.000 0.265 395 E C -1.336 175.296 176.600 0.053 0.000 0.919 395 E CA -0.464 55.964 56.400 0.047 0.000 0.756 395 E CB 0.790 30.513 29.700 0.038 0.000 1.120 395 E HN 0.611 nan 8.360 nan 0.000 0.414 396 D N 4.332 124.761 120.400 0.048 0.000 2.494 396 D HA -0.012 4.628 4.640 0.001 0.000 0.217 396 D C 0.138 176.458 176.300 0.034 0.000 1.153 396 D CA -0.374 53.653 54.000 0.046 0.000 0.954 396 D CB 0.481 41.309 40.800 0.046 0.000 1.034 396 D HN 0.417 nan 8.370 nan 0.000 0.518 397 D N 1.877 122.295 120.400 0.031 0.000 2.319 397 D HA -0.053 4.588 4.640 0.001 0.000 0.230 397 D C 1.128 177.438 176.300 0.017 0.000 1.094 397 D CA -0.045 53.967 54.000 0.019 0.000 0.856 397 D CB 0.360 41.167 40.800 0.011 0.000 0.915 397 D HN 0.245 nan 8.370 nan 0.000 0.517 398 V N 0.313 120.241 119.914 0.022 0.000 2.690 398 V HA 0.007 4.128 4.120 0.001 0.000 0.240 398 V C 2.004 178.107 176.094 0.016 0.000 1.078 398 V CA 1.682 63.993 62.300 0.018 0.000 1.102 398 V CB 0.299 32.136 31.823 0.023 0.000 0.800 398 V HN 0.444 nan 8.190 nan 0.000 0.479 399 T N -2.627 111.938 114.554 0.019 0.000 3.084 399 T HA 0.339 4.689 4.350 0.001 0.000 0.270 399 T C 1.403 176.117 174.700 0.023 0.000 1.008 399 T CA 0.493 62.603 62.100 0.017 0.000 0.900 399 T CB 0.561 69.437 68.868 0.012 0.000 1.084 399 T HN 0.801 nan 8.240 nan 0.000 0.538 400 G N 2.479 111.294 108.800 0.025 0.000 2.361 400 G HA2 -0.332 3.629 3.960 0.001 0.000 0.294 400 G HA3 -0.332 3.629 3.960 0.001 0.000 0.294 400 G C 0.845 175.771 174.900 0.043 0.000 1.004 400 G CA 0.952 46.069 45.100 0.029 0.000 0.870 400 G HN 0.953 nan 8.290 nan 0.000 0.510 401 T N -2.460 112.127 114.554 0.055 0.000 3.100 401 T HA 0.422 4.772 4.350 0.001 0.000 0.253 401 T C 1.432 176.207 174.700 0.125 0.000 1.118 401 T CA 0.901 63.053 62.100 0.087 0.000 1.058 401 T CB 0.127 69.041 68.868 0.077 0.000 0.953 401 T HN 1.313 nan 8.240 nan 0.000 0.515 402 S N 1.307 117.061 115.700 0.091 0.000 2.610 402 S HA 0.637 5.107 4.470 0.001 0.000 0.273 402 S C -0.119 174.504 174.600 0.038 0.000 1.274 402 S CA -1.035 57.222 58.200 0.096 0.000 1.023 402 S CB 0.728 63.971 63.200 0.072 0.000 0.962 402 S HN 0.385 nan 8.310 nan 0.000 0.523 403 L N 2.550 123.771 121.223 -0.002 0.000 2.357 403 L HA 0.486 4.827 4.340 0.001 0.000 0.273 403 L C -1.875 174.949 176.870 -0.077 0.000 1.080 403 L CA -2.205 52.565 54.840 -0.117 0.000 0.803 403 L CB 0.825 42.705 42.059 -0.298 0.000 1.174 403 L HN 0.557 nan 8.230 nan 0.000 0.443 404 P HA 0.166 nan 4.420 nan 0.000 0.275 404 P C -1.043 176.208 177.300 -0.082 0.000 1.227 404 P CA -0.238 62.824 63.100 -0.064 0.000 0.781 404 P CB 1.652 33.317 31.700 -0.059 0.000 0.906 405 V N 2.941 122.816 119.914 -0.064 0.000 2.444 405 V HA 0.180 4.301 4.120 0.001 0.000 0.294 405 V C -0.072 175.985 176.094 -0.062 0.000 1.022 405 V CA -0.391 61.861 62.300 -0.081 0.000 0.850 405 V CB 1.577 33.359 31.823 -0.068 0.000 0.992 405 V HN 0.532 nan 8.190 nan 0.000 0.426 406 D N 3.804 124.159 120.400 -0.074 0.000 2.428 406 D HA 0.179 4.819 4.640 0.001 0.000 0.221 406 D C 0.840 177.138 176.300 -0.003 0.000 1.123 406 D CA -0.133 53.846 54.000 -0.034 0.000 0.869 406 D CB 0.654 41.437 40.800 -0.029 0.000 1.032 406 D HN 0.407 nan 8.370 nan 0.000 0.506 407 N N 2.492 121.195 118.700 0.005 0.000 2.575 407 N HA -0.043 4.698 4.740 0.001 0.000 0.192 407 N C 0.896 176.435 175.510 0.048 0.000 1.200 407 N CA 0.137 53.200 53.050 0.023 0.000 0.897 407 N CB 0.447 38.939 38.487 0.009 0.000 0.990 407 N HN 0.462 nan 8.380 nan 0.000 0.449 408 A N -0.038 122.818 122.820 0.061 0.000 2.251 408 A HA 0.082 4.403 4.320 0.001 0.000 0.209 408 A C 0.608 178.251 177.584 0.098 0.000 1.187 408 A CA -0.531 51.541 52.037 0.058 0.000 0.823 408 A CB -0.417 18.611 19.000 0.046 0.000 0.846 408 A HN 0.285 nan 8.150 nan 0.000 0.486 409 F N 1.410 121.324 119.950 -0.060 0.000 2.608 409 F HA 0.302 4.830 4.527 0.001 0.000 0.380 409 F C 1.031 176.776 175.800 -0.092 0.000 1.083 409 F CA -0.363 57.588 58.000 -0.081 0.000 1.266 409 F CB 0.467 39.396 39.000 -0.119 0.000 1.076 409 F HN 0.320 nan 8.300 nan 0.000 0.574 410 A N 5.425 127.868 122.820 -0.628 0.000 2.492 410 A HA -0.029 4.292 4.320 0.001 0.000 0.236 410 A C 0.050 177.264 177.584 -0.618 0.000 1.078 410 A CA -0.321 51.399 52.037 -0.529 0.000 0.773 410 A CB 0.034 18.786 19.000 -0.412 0.000 1.023 410 A HN 0.818 nan 8.150 nan 0.000 0.504 411 D N 0.466 120.683 120.400 -0.304 0.000 2.425 411 D HA 0.100 4.741 4.640 0.001 0.000 0.247 411 D C 1.065 177.208 176.300 -0.262 0.000 1.147 411 D CA 1.017 54.899 54.000 -0.196 0.000 0.879 411 D CB 0.733 41.499 40.800 -0.057 0.000 1.179 411 D HN 0.551 nan 8.370 nan 0.000 0.456 412 T N -0.667 113.755 114.554 -0.220 0.000 3.134 412 T HA 0.087 4.438 4.350 0.001 0.000 0.260 412 T C 0.944 175.662 174.700 0.030 0.000 1.027 412 T CA -0.411 61.584 62.100 -0.176 0.000 0.913 412 T CB -0.166 68.556 68.868 -0.242 0.000 1.046 412 T HN 0.412 nan 8.240 nan 0.000 0.553 413 T N 1.155 115.744 114.554 0.059 0.000 2.900 413 T HA 0.413 4.763 4.350 0.001 0.000 0.307 413 T C -2.644 172.092 174.700 0.059 0.000 1.065 413 T CA -1.306 60.837 62.100 0.071 0.000 1.105 413 T CB 0.051 68.956 68.868 0.062 0.000 0.979 413 T HN -0.011 nan 8.240 nan 0.000 0.544 414 P HA 0.164 nan 4.420 nan 0.000 0.267 414 P C -0.205 177.124 177.300 0.048 0.000 1.200 414 P CA -0.450 62.675 63.100 0.040 0.000 0.772 414 P CB 0.376 32.086 31.700 0.018 0.000 0.855 415 K N 1.667 122.094 120.400 0.045 0.000 2.489 415 K HA 0.236 4.557 4.320 0.001 0.000 0.278 415 K C 1.086 177.719 176.600 0.055 0.000 1.000 415 K CA 0.881 57.196 56.287 0.047 0.000 1.012 415 K CB -0.629 31.894 32.500 0.037 0.000 0.903 415 K HN 0.731 nan 8.250 nan 0.000 0.485 416 G N 2.313 111.150 108.800 0.061 0.000 2.194 416 G HA2 -0.224 3.736 3.960 0.001 0.000 0.236 416 G HA3 -0.224 3.736 3.960 0.001 0.000 0.236 416 G C 0.000 174.955 174.900 0.091 0.000 0.987 416 G CA 0.246 45.389 45.100 0.072 0.000 0.635 416 G HN 0.668 nan 8.290 nan 0.000 0.520 417 T N 1.624 116.231 114.554 0.088 0.000 2.851 417 T HA 0.555 4.906 4.350 0.001 0.000 0.298 417 T C 0.615 175.385 174.700 0.116 0.000 0.977 417 T CA 0.265 62.427 62.100 0.104 0.000 1.126 417 T CB 1.299 70.212 68.868 0.075 0.000 0.916 417 T HN 0.323 nan 8.240 nan 0.000 0.529 418 I N 3.575 124.242 120.570 0.161 0.000 2.359 418 I HA 0.291 4.461 4.170 0.001 0.000 0.294 418 I C 0.299 176.536 176.117 0.201 0.000 0.987 418 I CA -0.679 60.730 61.300 0.182 0.000 1.225 418 I CB 1.292 39.417 38.000 0.207 0.000 1.366 418 I HN 0.456 nan 8.210 nan 0.000 0.466 419 Q N 5.619 125.521 119.800 0.171 0.000 2.333 419 Q HA 0.584 4.925 4.340 0.001 0.000 0.267 419 Q C -1.438 174.677 176.000 0.191 0.000 1.012 419 Q CA -0.722 55.170 55.803 0.148 0.000 0.824 419 Q CB 2.673 31.470 28.738 0.099 0.000 1.290 419 Q HN 0.626 nan 8.270 nan 0.000 0.449 420 C N 1.606 121.027 119.300 0.200 0.000 2.634 420 C HA 0.565 5.026 4.460 0.001 0.000 0.313 420 C C -0.425 174.594 174.990 0.047 0.000 1.198 420 C CA -0.774 58.362 59.018 0.196 0.000 1.605 420 C CB 1.696 29.646 27.740 0.349 0.000 2.196 420 C HN 0.803 nan 8.230 nan 0.000 0.486 421 Q N 0.598 120.318 119.800 -0.134 0.000 2.347 421 Q HA 0.691 5.032 4.340 0.001 0.000 0.271 421 Q C -1.774 174.048 176.000 -0.297 0.000 1.064 421 Q CA -0.232 55.452 55.803 -0.197 0.000 0.800 421 Q CB 2.137 30.793 28.738 -0.138 0.000 1.304 421 Q HN 0.648 nan 8.270 nan 0.000 0.438 422 F N 0.839 120.706 119.950 -0.138 0.000 2.518 422 F HA 0.450 4.977 4.527 0.001 0.000 0.323 422 F C -1.077 174.606 175.800 -0.195 0.000 1.129 422 F CA -0.731 57.205 58.000 -0.106 0.000 0.920 422 F CB 1.112 40.028 39.000 -0.139 0.000 1.160 422 F HN 0.427 nan 8.300 nan 0.000 0.440 423 W N 2.473 123.768 121.300 -0.007 0.000 2.291 423 W HA 0.666 5.327 4.660 0.001 0.000 0.312 423 W C 0.320 176.943 176.519 0.172 0.000 1.061 423 W CA -0.808 56.588 57.345 0.085 0.000 1.296 423 W CB 1.597 31.167 29.460 0.183 0.000 1.223 423 W HN 0.656 nan 8.180 nan 0.000 0.421 424 G N 2.148 111.154 108.800 0.343 0.000 2.685 424 G HA2 0.693 4.653 3.960 0.001 0.000 0.298 424 G HA3 0.693 4.653 3.960 0.001 0.000 0.298 424 G C -2.050 173.095 174.900 0.409 0.000 1.277 424 G CA -1.001 44.305 45.100 0.343 0.000 0.986 424 G HN 0.335 nan 8.290 nan 0.000 0.487 425 L N 0.682 122.078 121.223 0.287 0.000 2.329 425 L HA 0.742 5.083 4.340 0.001 0.000 0.279 425 L C 0.837 177.816 176.870 0.181 0.000 1.014 425 L CA -0.417 54.577 54.840 0.257 0.000 0.814 425 L CB 1.288 43.432 42.059 0.143 0.000 1.257 425 L HN 0.754 nan 8.230 nan 0.000 0.424 426 G N 3.800 112.704 108.800 0.174 0.000 2.287 426 G HA2 0.386 4.347 3.960 0.001 0.000 0.235 426 G HA3 0.386 4.347 3.960 0.001 0.000 0.235 426 G C 0.776 175.738 174.900 0.103 0.000 1.258 426 G CA 0.325 45.507 45.100 0.137 0.000 0.884 426 G HN 1.999 nan 8.290 nan 0.000 0.518 427 A N 1.599 124.470 122.820 0.084 0.000 3.021 427 A HA -0.195 4.125 4.320 0.001 0.000 0.257 427 A C 1.474 179.092 177.584 0.057 0.000 1.277 427 A CA 1.776 53.848 52.037 0.059 0.000 1.012 427 A CB -1.830 17.201 19.000 0.051 0.000 1.147 427 A HN 1.268 nan 8.150 nan 0.000 0.861 428 D N -1.225 119.220 120.400 0.075 0.000 2.349 428 D HA 0.384 5.025 4.640 0.001 0.000 0.214 428 D C 1.421 177.763 176.300 0.071 0.000 1.063 428 D CA 0.972 55.016 54.000 0.072 0.000 0.847 428 D CB -0.609 40.248 40.800 0.095 0.000 0.933 428 D HN 1.841 nan 8.370 nan 0.000 0.513 429 G N -0.270 108.566 108.800 0.060 0.000 2.148 429 G HA2 -0.361 3.600 3.960 0.001 0.000 0.254 429 G HA3 -0.361 3.600 3.960 0.001 0.000 0.254 429 G C 1.108 176.037 174.900 0.049 0.000 0.981 429 G CA 0.784 45.909 45.100 0.041 0.000 0.670 429 G HN 0.365 nan 8.290 nan 0.000 0.528 430 T N 0.119 114.730 114.554 0.096 0.000 2.708 430 T HA -0.074 4.277 4.350 0.001 0.000 0.266 430 T C 2.579 177.262 174.700 -0.029 0.000 1.037 430 T CA 1.745 63.920 62.100 0.125 0.000 1.146 430 T CB -0.140 68.875 68.868 0.245 0.000 0.865 430 T HN 0.310 nan 8.240 nan 0.000 0.435 431 V N 1.423 121.284 119.914 -0.088 0.000 2.343 431 V HA -0.088 4.033 4.120 0.001 0.000 0.247 431 V C 2.872 178.807 176.094 -0.265 0.000 1.051 431 V CA 1.927 64.056 62.300 -0.285 0.000 1.036 431 V CB -1.380 30.174 31.823 -0.448 0.000 0.654 431 V HN 0.592 nan 8.190 nan 0.000 0.451 432 G N -0.268 108.441 108.800 -0.151 0.000 2.440 432 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 432 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 432 G C 1.769 176.631 174.900 -0.064 0.000 1.154 432 G CA 1.102 46.139 45.100 -0.105 0.000 0.767 432 G HN 0.609 nan 8.290 nan 0.000 0.552 433 A N 1.216 124.012 122.820 -0.040 0.000 1.902 433 A HA -0.085 4.235 4.320 0.001 0.000 0.217 433 A C 2.288 179.840 177.584 -0.054 0.000 1.181 433 A CA 1.869 53.903 52.037 -0.005 0.000 0.623 433 A CB -0.412 18.606 19.000 0.030 0.000 0.818 433 A HN 0.354 nan 8.150 nan 0.000 0.443 434 N N 0.116 118.726 118.700 -0.151 0.000 2.188 434 N HA -0.117 4.623 4.740 0.001 0.000 0.184 434 N C 1.591 177.098 175.510 -0.005 0.000 1.018 434 N CA 1.473 54.393 53.050 -0.217 0.000 0.858 434 N CB -0.332 38.039 38.487 -0.194 0.000 0.989 434 N HN 0.567 nan 8.380 nan 0.000 0.426 435 K N 0.603 121.024 120.400 0.035 0.000 2.057 435 K HA -0.045 4.276 4.320 0.001 0.000 0.207 435 K C 1.959 178.601 176.600 0.071 0.000 1.049 435 K CA 0.829 57.163 56.287 0.078 0.000 0.931 435 K CB 0.050 32.544 32.500 -0.010 0.000 0.714 435 K HN 0.108 nan 8.250 nan 0.000 0.440 436 Q N 0.163 119.993 119.800 0.051 0.000 2.124 436 Q HA -0.079 4.262 4.340 0.001 0.000 0.202 436 Q C 2.170 178.268 176.000 0.164 0.000 0.977 436 Q CA 1.542 57.394 55.803 0.083 0.000 0.850 436 Q CB -0.307 28.470 28.738 0.065 0.000 0.901 436 Q HN 0.324 nan 8.270 nan 0.000 0.429 437 A N 0.763 123.694 122.820 0.185 0.000 1.933 437 A HA -0.152 4.168 4.320 0.001 0.000 0.218 437 A C 2.170 179.912 177.584 0.262 0.000 1.175 437 A CA 1.123 53.323 52.037 0.271 0.000 0.628 437 A CB -0.648 18.351 19.000 -0.001 0.000 0.814 437 A HN 0.329 nan 8.150 nan 0.000 0.444 438 I N -0.734 119.982 120.570 0.245 0.000 2.226 438 I HA -0.255 3.916 4.170 0.001 0.000 0.245 438 I C 2.566 178.817 176.117 0.224 0.000 1.100 438 I CA 1.857 63.339 61.300 0.304 0.000 1.374 438 I CB -0.253 37.852 38.000 0.175 0.000 1.057 438 I HN 0.387 nan 8.210 nan 0.000 0.413 439 K N 1.534 122.028 120.400 0.157 0.000 2.025 439 K HA -0.148 4.173 4.320 0.001 0.000 0.207 439 K C 2.160 178.829 176.600 0.115 0.000 1.049 439 K CA 1.383 57.736 56.287 0.110 0.000 0.933 439 K CB -0.036 32.509 32.500 0.076 0.000 0.714 439 K HN 0.198 nan 8.250 nan 0.000 0.438 440 I N 1.042 121.704 120.570 0.153 0.000 2.127 440 I HA -0.314 3.856 4.170 0.001 0.000 0.241 440 I C 2.302 178.505 176.117 0.143 0.000 1.075 440 I CA 1.370 62.766 61.300 0.160 0.000 1.334 440 I CB -0.236 37.924 38.000 0.266 0.000 1.040 440 I HN 0.207 nan 8.210 nan 0.000 0.405 441 I N 0.537 121.201 120.570 0.156 0.000 2.252 441 I HA -0.193 3.978 4.170 0.001 0.000 0.245 441 I C 2.656 178.821 176.117 0.080 0.000 1.102 441 I CA 1.586 62.927 61.300 0.068 0.000 1.385 441 I CB -0.868 37.082 38.000 -0.082 0.000 1.064 441 I HN 0.269 nan 8.210 nan 0.000 0.414 442 G N 0.331 109.208 108.800 0.128 0.000 2.422 442 G HA2 -0.216 3.744 3.960 0.001 0.000 0.218 442 G HA3 -0.216 3.744 3.960 0.001 0.000 0.218 442 G C 1.154 176.067 174.900 0.022 0.000 1.146 442 G CA 0.805 45.952 45.100 0.078 0.000 0.769 442 G HN 0.291 nan 8.290 nan 0.000 0.547 443 D N 0.201 120.621 120.400 0.032 0.000 2.317 443 D HA 0.008 4.648 4.640 0.001 0.000 0.211 443 D C 1.556 177.856 176.300 -0.001 0.000 0.966 443 D CA 0.458 54.462 54.000 0.008 0.000 0.876 443 D CB 0.069 40.878 40.800 0.015 0.000 0.927 443 D HN 0.265 nan 8.370 nan 0.000 0.519 444 N N -0.234 118.470 118.700 0.008 0.000 2.177 444 N HA 0.031 4.772 4.740 0.001 0.000 0.218 444 N C 0.171 175.674 175.510 -0.013 0.000 1.182 444 N CA 0.208 53.257 53.050 -0.002 0.000 0.882 444 N CB 1.678 40.172 38.487 0.010 0.000 1.052 444 N HN 0.205 nan 8.380 nan 0.000 0.519 445 T N -2.995 111.547 114.554 -0.020 0.000 2.778 445 T HA 0.349 4.700 4.350 0.001 0.000 0.293 445 T C -0.506 174.159 174.700 -0.060 0.000 1.144 445 T CA -0.546 61.535 62.100 -0.032 0.000 1.010 445 T CB 2.001 70.853 68.868 -0.026 0.000 1.325 445 T HN -0.329 nan 8.240 nan 0.000 0.515 446 D N 0.363 120.722 120.400 -0.069 0.000 2.342 446 D HA 0.315 4.955 4.640 0.001 0.000 0.221 446 D C 0.391 176.576 176.300 -0.191 0.000 1.101 446 D CA -0.036 53.888 54.000 -0.127 0.000 0.837 446 D CB -0.116 40.635 40.800 -0.081 0.000 0.938 446 D HN 0.430 nan 8.370 nan 0.000 0.508 447 L N 0.273 121.437 121.223 -0.098 0.000 2.436 447 L HA 0.229 4.570 4.340 0.001 0.000 0.265 447 L C 0.345 177.158 176.870 -0.094 0.000 1.168 447 L CA -0.434 54.398 54.840 -0.013 0.000 0.815 447 L CB 0.411 42.536 42.059 0.110 0.000 1.109 447 L HN -0.187 nan 8.230 nan 0.000 0.462 448 F N 0.941 120.957 119.950 0.109 0.000 2.371 448 F HA 0.587 5.115 4.527 0.001 0.000 0.329 448 F C 0.530 176.396 175.800 0.109 0.000 1.107 448 F CA -0.248 57.802 58.000 0.084 0.000 1.137 448 F CB 1.338 40.367 39.000 0.048 0.000 1.214 448 F HN 0.434 nan 8.300 nan 0.000 0.536 449 A N 2.600 125.546 122.820 0.210 0.000 2.449 449 A HA 0.662 4.983 4.320 0.001 0.000 0.302 449 A C -1.351 176.180 177.584 -0.088 0.000 1.048 449 A CA -0.620 51.420 52.037 0.006 0.000 0.708 449 A CB 1.905 20.992 19.000 0.145 0.000 1.274 449 A HN 0.706 nan 8.150 nan 0.000 0.410 450 Q N 1.159 120.792 119.800 -0.278 0.000 2.359 450 Q HA 0.627 4.967 4.340 0.001 0.000 0.274 450 Q C -0.822 175.031 176.000 -0.246 0.000 1.074 450 Q CA -0.629 55.067 55.803 -0.178 0.000 0.810 450 Q CB 2.331 30.988 28.738 -0.136 0.000 1.342 450 Q HN 1.189 nan 8.270 nan 0.000 0.427 451 G N 2.120 110.830 108.800 -0.150 0.000 2.662 451 G HA2 0.536 4.497 3.960 0.001 0.000 0.302 451 G HA3 0.536 4.497 3.960 0.001 0.000 0.302 451 G C -2.429 172.313 174.900 -0.262 0.000 1.389 451 G CA -0.268 44.668 45.100 -0.274 0.000 0.998 451 G HN 0.498 nan 8.290 nan 0.000 0.502 452 Y N 1.710 121.624 120.300 -0.643 0.000 2.470 452 Y HA 0.727 5.278 4.550 0.002 0.000 0.341 452 Y C -1.745 173.766 175.900 -0.650 0.000 1.021 452 Y CA -1.548 56.304 58.100 -0.414 0.000 1.025 452 Y CB 1.765 40.106 38.460 -0.199 0.000 1.266 452 Y HN 0.467 nan 8.280 nan 0.000 0.448 453 F N 2.815 122.446 119.950 -0.530 0.000 2.520 453 F HA 0.646 5.174 4.527 0.002 0.000 0.322 453 F C -0.060 175.402 175.800 -0.564 0.000 1.103 453 F CA -0.821 56.918 58.000 -0.435 0.000 0.926 453 F CB 2.311 41.047 39.000 -0.440 0.000 1.154 453 F HN 0.300 nan 8.300 nan 0.000 0.453 454 S N 1.837 117.380 115.700 -0.261 0.000 2.472 454 S HA 0.656 5.127 4.470 0.001 0.000 0.303 454 S C -1.109 173.293 174.600 -0.331 0.000 1.099 454 S CA -0.570 57.533 58.200 -0.162 0.000 1.077 454 S CB 0.827 63.998 63.200 -0.049 0.000 1.031 454 S HN 0.433 nan 8.310 nan 0.000 0.487 455 Y N 0.598 120.901 120.300 0.006 0.000 2.782 455 Y HA 0.585 5.136 4.550 0.001 0.000 0.329 455 Y C 0.433 176.340 175.900 0.011 0.000 1.192 455 Y CA -1.063 57.048 58.100 0.019 0.000 1.216 455 Y CB 0.634 39.119 38.460 0.041 0.000 1.447 455 Y HN 0.436 nan 8.280 nan 0.000 0.616 456 D N -1.433 119.107 120.400 0.233 0.000 2.340 456 D HA 0.302 4.943 4.640 0.001 0.000 0.240 456 D C 0.044 176.435 176.300 0.151 0.000 1.001 456 D CA -0.262 53.827 54.000 0.148 0.000 0.888 456 D CB 2.255 43.135 40.800 0.134 0.000 1.310 456 D HN 0.443 nan 8.370 nan 0.000 0.474 457 S N 0.599 116.376 115.700 0.129 0.000 2.461 457 S HA 0.006 4.476 4.470 0.001 0.000 0.228 457 S C 0.589 175.267 174.600 0.130 0.000 1.005 457 S CA 0.268 58.540 58.200 0.119 0.000 0.942 457 S CB 0.125 63.388 63.200 0.105 0.000 0.776 457 S HN 0.270 nan 8.310 nan 0.000 0.514 458 K N 2.258 122.742 120.400 0.140 0.000 2.368 458 K HA 0.173 4.494 4.320 0.001 0.000 0.282 458 K C 0.615 177.300 176.600 0.142 0.000 1.035 458 K CA 0.151 56.528 56.287 0.150 0.000 0.973 458 K CB 0.607 33.199 32.500 0.153 0.000 0.957 458 K HN 0.173 nan 8.250 nan 0.000 0.474 459 K N 0.381 120.867 120.400 0.144 0.000 2.243 459 K HA -0.012 4.309 4.320 0.001 0.000 0.201 459 K C 0.763 177.429 176.600 0.109 0.000 1.051 459 K CA 0.513 56.875 56.287 0.126 0.000 0.970 459 K CB 0.338 32.921 32.500 0.140 0.000 0.755 459 K HN 0.377 nan 8.250 nan 0.000 0.465 460 S N -1.028 114.736 115.700 0.107 0.000 2.521 460 S HA 0.471 4.942 4.470 0.001 0.000 0.295 460 S C 0.059 174.713 174.600 0.091 0.000 1.098 460 S CA -0.090 58.159 58.200 0.083 0.000 0.999 460 S CB 1.567 64.797 63.200 0.050 0.000 1.034 460 S HN 0.476 nan 8.310 nan 0.000 0.483 461 G N 2.971 111.829 108.800 0.098 0.000 2.198 461 G HA2 -0.161 3.800 3.960 0.001 0.000 0.260 461 G HA3 -0.161 3.800 3.960 0.001 0.000 0.260 461 G C 0.513 175.517 174.900 0.174 0.000 1.025 461 G CA 0.106 45.280 45.100 0.123 0.000 0.769 461 G HN 1.164 nan 8.290 nan 0.000 0.507 462 G N -1.000 107.901 108.800 0.169 0.000 2.537 462 G HA2 0.607 4.568 3.960 0.001 0.000 0.273 462 G HA3 0.607 4.568 3.960 0.001 0.000 0.273 462 G C 0.043 175.070 174.900 0.210 0.000 1.189 462 G CA -0.128 45.082 45.100 0.183 0.000 0.881 462 G HN 1.013 nan 8.290 nan 0.000 0.535 463 I N 0.319 120.985 120.570 0.161 0.000 2.385 463 I HA 0.597 4.768 4.170 0.001 0.000 0.294 463 I C 0.515 176.642 176.117 0.016 0.000 0.988 463 I CA -0.564 60.797 61.300 0.101 0.000 1.265 463 I CB 1.630 39.538 38.000 -0.154 0.000 1.388 463 I HN 0.573 nan 8.210 nan 0.000 0.480 464 T N 5.900 120.456 114.554 0.003 0.000 2.876 464 T HA 0.732 5.083 4.350 0.001 0.000 0.289 464 T C -0.475 174.090 174.700 -0.225 0.000 1.014 464 T CA -0.627 61.393 62.100 -0.134 0.000 0.986 464 T CB 1.058 69.861 68.868 -0.108 0.000 1.021 464 T HN 0.450 nan 8.240 nan 0.000 0.458 465 I N 2.341 122.703 120.570 -0.346 0.000 2.439 465 I HA 0.374 4.544 4.170 0.001 0.000 0.285 465 I C -0.120 175.823 176.117 -0.291 0.000 1.021 465 I CA -0.798 60.190 61.300 -0.520 0.000 1.091 465 I CB 2.102 39.630 38.000 -0.786 0.000 1.242 465 I HN 0.634 nan 8.210 nan 0.000 0.439 466 S N 4.149 119.721 115.700 -0.213 0.000 2.489 466 S HA 0.499 4.970 4.470 0.001 0.000 0.291 466 S C -0.761 173.695 174.600 -0.240 0.000 1.151 466 S CA -0.554 57.587 58.200 -0.098 0.000 1.082 466 S CB 0.713 63.966 63.200 0.089 0.000 1.019 466 S HN 0.443 nan 8.310 nan 0.000 0.492 467 H N 1.665 120.613 119.070 -0.204 0.000 2.762 467 H HA 0.506 5.063 4.556 0.001 0.000 0.310 467 H C -0.688 174.539 175.328 -0.169 0.000 1.004 467 H CA -0.367 55.616 56.048 -0.108 0.000 1.267 467 H CB 0.471 30.180 29.762 -0.089 0.000 1.437 467 H HN 0.315 nan 8.280 nan 0.000 0.498 468 L N 3.244 124.483 121.223 0.026 0.000 2.346 468 L HA 0.653 4.993 4.340 0.001 0.000 0.274 468 L C -0.001 176.782 176.870 -0.145 0.000 1.007 468 L CA -0.826 53.944 54.840 -0.116 0.000 0.818 468 L CB 2.094 44.140 42.059 -0.022 0.000 1.284 468 L HN 0.484 nan 8.230 nan 0.000 0.424 469 R N 2.211 122.477 120.500 -0.391 0.000 2.686 469 R HA 0.706 5.047 4.340 0.001 0.000 0.283 469 R C -1.762 174.217 176.300 -0.535 0.000 0.978 469 R CA -0.674 55.265 56.100 -0.270 0.000 0.897 469 R CB 2.635 32.842 30.300 -0.155 0.000 1.192 469 R HN 0.341 nan 8.270 nan 0.000 0.457 470 F N -0.146 119.862 119.950 0.097 0.000 2.581 470 F HA 0.688 5.216 4.527 0.001 0.000 0.311 470 F C 0.470 176.333 175.800 0.105 0.000 1.113 470 F CA -0.599 57.465 58.000 0.106 0.000 0.935 470 F CB 2.875 41.935 39.000 0.099 0.000 1.232 470 F HN 0.658 nan 8.300 nan 0.000 0.445 471 G N 1.416 110.405 108.800 0.315 0.000 2.608 471 G HA2 0.375 4.336 3.960 0.001 0.000 0.291 471 G HA3 0.375 4.336 3.960 0.001 0.000 0.291 471 G C -0.500 174.578 174.900 0.295 0.000 1.425 471 G CA -0.693 44.552 45.100 0.241 0.000 0.787 471 G HN 0.577 nan 8.290 nan 0.000 0.484 472 E N -0.458 119.881 120.200 0.231 0.000 2.299 472 E HA 0.044 4.394 4.350 0.001 0.000 0.193 472 E C 0.394 177.210 176.600 0.360 0.000 0.998 472 E CA 0.626 57.181 56.400 0.257 0.000 0.851 472 E CB 0.251 30.042 29.700 0.152 0.000 0.795 472 E HN 0.285 nan 8.360 nan 0.000 0.492 473 K N 1.280 121.794 120.400 0.190 0.000 2.166 473 K HA 0.339 4.659 4.320 0.001 0.000 0.245 473 K C -2.681 173.654 176.600 -0.441 0.000 0.967 473 K CA -2.347 53.908 56.287 -0.052 0.000 0.863 473 K CB 1.118 33.593 32.500 -0.042 0.000 1.107 473 K HN -0.249 nan 8.250 nan 0.000 0.436 474 P HA -0.022 nan 4.420 nan 0.000 0.264 474 P C -0.755 176.308 177.300 -0.396 0.000 1.183 474 P CA 0.430 62.917 63.100 -1.022 0.000 0.763 474 P CB 0.306 31.600 31.700 -0.678 0.000 0.807 475 I N 3.718 124.138 120.570 -0.249 0.000 2.291 475 I HA 0.136 4.307 4.170 0.001 0.000 0.290 475 I C 1.172 177.245 176.117 -0.073 0.000 1.050 475 I CA 0.197 61.434 61.300 -0.106 0.000 1.245 475 I CB 0.528 38.495 38.000 -0.055 0.000 1.405 475 I HN 0.305 nan 8.210 nan 0.000 0.478 476 Q N 3.216 122.988 119.800 -0.047 0.000 2.198 476 Q HA 0.168 4.509 4.340 0.001 0.000 0.209 476 Q C 0.085 176.101 176.000 0.027 0.000 0.848 476 Q CA -0.122 55.683 55.803 0.003 0.000 0.974 476 Q CB 0.593 29.348 28.738 0.027 0.000 1.115 476 Q HN 0.598 nan 8.270 nan 0.000 0.494 477 S N 2.037 117.697 115.700 -0.067 0.000 3.900 477 S HA 0.021 4.492 4.470 0.001 0.000 0.248 477 S C 0.631 175.019 174.600 -0.354 0.000 1.310 477 S CA -0.170 57.879 58.200 -0.252 0.000 0.915 477 S CB -0.261 62.618 63.200 -0.535 0.000 1.588 477 S HN 0.263 nan 8.310 nan 0.000 0.472 478 T N 1.137 115.673 114.554 -0.030 0.000 4.058 478 T HA 0.404 4.755 4.350 0.001 0.000 0.252 478 T C -0.262 174.467 174.700 0.050 0.000 1.264 478 T CA -0.587 61.507 62.100 -0.010 0.000 1.094 478 T CB -1.213 67.723 68.868 0.113 0.000 1.316 478 T HN 0.595 nan 8.240 nan 0.000 0.872 479 Y N -1.502 118.715 120.300 -0.138 0.000 2.656 479 Y HA 0.626 5.177 4.550 0.001 0.000 0.334 479 Y C -1.106 174.643 175.900 -0.250 0.000 1.179 479 Y CA -2.195 55.796 58.100 -0.182 0.000 1.050 479 Y CB 0.700 39.100 38.460 -0.101 0.000 1.308 479 Y HN 0.051 nan 8.280 nan 0.000 0.456 480 L N 2.335 123.452 121.223 -0.177 0.000 2.461 480 L HA 0.307 4.648 4.340 0.001 0.000 0.272 480 L C 0.054 176.914 176.870 -0.017 0.000 1.197 480 L CA -1.017 53.622 54.840 -0.336 0.000 0.836 480 L CB 0.501 42.327 42.059 -0.389 0.000 1.105 480 L HN 0.531 nan 8.230 nan 0.000 0.477 481 V N 2.538 122.538 119.914 0.143 0.000 2.599 481 V HA -0.073 4.048 4.120 0.001 0.000 0.300 481 V C 0.717 176.937 176.094 0.210 0.000 1.034 481 V CA 0.444 62.855 62.300 0.184 0.000 1.115 481 V CB 0.785 32.728 31.823 0.201 0.000 0.934 481 V HN 1.016 nan 8.190 nan 0.000 0.485 482 N N 3.203 122.010 118.700 0.178 0.000 2.193 482 N HA 0.142 4.883 4.740 0.001 0.000 0.210 482 N C 0.316 175.886 175.510 0.099 0.000 1.215 482 N CA -0.232 52.900 53.050 0.138 0.000 0.901 482 N CB 0.550 39.110 38.487 0.122 0.000 1.060 482 N HN 0.566 nan 8.380 nan 0.000 0.508 483 R N 0.626 121.185 120.500 0.098 0.000 2.721 483 R HA 0.569 4.910 4.340 0.001 0.000 0.272 483 R C -1.221 175.127 176.300 0.080 0.000 1.721 483 R CA -0.426 55.717 56.100 0.072 0.000 1.325 483 R CB 1.516 31.848 30.300 0.052 0.000 1.271 483 R HN 0.188 nan 8.270 nan 0.000 0.556 484 A N 0.941 123.810 122.820 0.082 0.000 2.302 484 A HA 0.255 4.576 4.320 0.001 0.000 0.285 484 A C 0.377 178.026 177.584 0.109 0.000 1.105 484 A CA -0.491 51.604 52.037 0.097 0.000 0.816 484 A CB 0.548 19.601 19.000 0.088 0.000 1.067 484 A HN 0.599 nan 8.150 nan 0.000 0.489 485 D N -1.105 119.383 120.400 0.147 0.000 2.301 485 D HA 0.050 4.691 4.640 0.001 0.000 0.206 485 D C -0.774 175.666 176.300 0.233 0.000 0.979 485 D CA 1.402 55.504 54.000 0.169 0.000 0.874 485 D CB 0.329 41.231 40.800 0.170 0.000 0.968 485 D HN 0.546 nan 8.370 nan 0.000 0.510 486 Y N 1.203 121.551 120.300 0.080 0.000 2.346 486 Y HA 0.371 4.922 4.550 0.001 0.000 0.332 486 Y C -1.479 174.424 175.900 0.004 0.000 0.985 486 Y CA -0.699 57.442 58.100 0.068 0.000 1.112 486 Y CB 1.548 40.047 38.460 0.064 0.000 1.170 486 Y HN -0.397 nan 8.280 nan 0.000 0.447 487 V N 5.577 125.286 119.914 -0.341 0.000 2.531 487 V HA 0.865 4.986 4.120 0.001 0.000 0.301 487 V C -0.657 175.301 176.094 -0.226 0.000 1.034 487 V CA -0.536 61.648 62.300 -0.193 0.000 0.865 487 V CB 1.424 33.251 31.823 0.007 0.000 0.995 487 V HN 0.914 nan 8.190 nan 0.000 0.424 488 A N 3.301 126.008 122.820 -0.188 0.000 2.355 488 A HA 0.713 5.034 4.320 0.001 0.000 0.317 488 A C -0.651 177.094 177.584 0.268 0.000 1.094 488 A CA -0.456 51.602 52.037 0.036 0.000 0.764 488 A CB 1.529 20.633 19.000 0.172 0.000 1.230 488 A HN 0.962 nan 8.150 nan 0.000 0.448 489 C N 2.952 122.474 119.300 0.369 0.000 2.291 489 C HA 0.535 4.996 4.460 0.001 0.000 0.322 489 C C 0.843 176.065 174.990 0.387 0.000 1.205 489 C CA -0.385 58.867 59.018 0.390 0.000 1.495 489 C CB -1.424 26.554 27.740 0.397 0.000 2.127 489 C HN 1.012 nan 8.230 nan 0.000 0.452 490 H N 2.603 121.820 119.070 0.247 0.000 2.539 490 H HA 0.117 4.674 4.556 0.001 0.000 0.267 490 H C 0.382 175.696 175.328 -0.023 0.000 0.982 490 H CA 0.052 56.175 56.048 0.125 0.000 1.146 490 H CB 0.337 30.210 29.762 0.184 0.000 1.382 490 H HN 0.549 nan 8.280 nan 0.000 0.577 491 N N 0.900 119.583 118.700 -0.027 0.000 2.491 491 N HA 0.063 4.804 4.740 0.001 0.000 0.274 491 N C -2.038 173.298 175.510 -0.290 0.000 1.023 491 N CA -2.291 50.561 53.050 -0.331 0.000 0.902 491 N CB 1.840 39.789 38.487 -0.897 0.000 1.267 491 N HN -0.059 nan 8.380 nan 0.000 0.503 492 P HA -0.115 nan 4.420 nan 0.000 0.221 492 P C 0.868 178.204 177.300 0.060 0.000 1.145 492 P CA 0.783 63.773 63.100 -0.183 0.000 0.795 492 P CB 0.311 31.664 31.700 -0.579 0.000 0.775 493 A N -0.911 121.900 122.820 -0.015 0.000 2.125 493 A HA -0.157 4.164 4.320 0.001 0.000 0.219 493 A C 2.145 179.891 177.584 0.270 0.000 1.156 493 A CA 0.834 52.945 52.037 0.123 0.000 0.671 493 A CB -1.687 17.362 19.000 0.082 0.000 0.794 493 A HN 0.250 nan 8.150 nan 0.000 0.459 494 Y N -0.242 120.162 120.300 0.174 0.000 2.314 494 Y HA -0.157 4.394 4.550 0.001 0.000 0.293 494 Y C 2.584 178.518 175.900 0.056 0.000 1.129 494 Y CA 0.631 58.841 58.100 0.184 0.000 1.201 494 Y CB -0.218 38.387 38.460 0.242 0.000 0.999 494 Y HN 0.293 nan 8.280 nan 0.000 0.541 495 V N -1.894 118.168 119.914 0.246 0.000 2.453 495 V HA -0.193 3.928 4.120 0.001 0.000 0.252 495 V C 1.913 178.030 176.094 0.037 0.000 1.068 495 V CA 2.135 64.517 62.300 0.137 0.000 1.070 495 V CB -1.347 30.623 31.823 0.246 0.000 0.664 495 V HN 0.345 nan 8.190 nan 0.000 0.461 496 G N -0.040 108.792 108.800 0.053 0.000 3.042 496 G HA2 0.274 4.235 3.960 0.001 0.000 0.212 496 G HA3 0.274 4.235 3.960 0.001 0.000 0.212 496 G C 1.276 176.122 174.900 -0.090 0.000 1.166 496 G CA 0.727 45.814 45.100 -0.022 0.000 0.767 496 G HN 0.774 nan 8.290 nan 0.000 0.546 497 I N -4.994 115.481 120.570 -0.160 0.000 4.398 497 I HA 0.461 4.632 4.170 0.001 0.000 0.310 497 I C 0.044 175.867 176.117 -0.489 0.000 1.232 497 I CA -0.518 60.559 61.300 -0.372 0.000 1.312 497 I CB 0.493 38.151 38.000 -0.570 0.000 1.347 497 I HN -0.114 nan 8.210 nan 0.000 0.454 498 Y N 1.745 121.967 120.300 -0.131 0.000 2.528 498 Y HA 0.448 4.999 4.550 0.001 0.000 0.335 498 Y C -0.114 175.603 175.900 -0.306 0.000 1.093 498 Y CA -0.914 57.051 58.100 -0.225 0.000 1.134 498 Y CB 0.913 39.137 38.460 -0.392 0.000 1.253 498 Y HN -0.116 nan 8.280 nan 0.000 0.478 499 D N 2.122 122.492 120.400 -0.051 0.000 2.688 499 D HA 0.108 4.748 4.640 0.001 0.000 0.228 499 D C 0.928 177.090 176.300 -0.229 0.000 1.116 499 D CA 0.469 54.402 54.000 -0.112 0.000 1.023 499 D CB -0.309 40.484 40.800 -0.013 0.000 1.100 499 D HN 0.587 nan 8.370 nan 0.000 0.487 500 I N 0.669 120.949 120.570 -0.483 0.000 2.423 500 I HA -0.256 3.915 4.170 0.001 0.000 0.254 500 I C 1.720 177.603 176.117 -0.390 0.000 1.151 500 I CA 0.895 61.759 61.300 -0.727 0.000 1.421 500 I CB 0.130 37.684 38.000 -0.743 0.000 1.079 500 I HN 0.335 nan 8.210 nan 0.000 0.431 501 L N 0.082 121.094 121.223 -0.352 0.000 2.667 501 L HA 0.148 4.488 4.340 0.001 0.000 0.232 501 L C 0.901 177.690 176.870 -0.134 0.000 1.138 501 L CA -0.214 54.445 54.840 -0.302 0.000 0.921 501 L CB -0.310 41.493 42.059 -0.427 0.000 1.180 501 L HN 0.163 nan 8.230 nan 0.000 0.487 502 E N 1.421 121.585 120.200 -0.061 0.000 2.694 502 E HA 0.008 4.358 4.350 0.001 0.000 0.250 502 E C 1.317 177.927 176.600 0.017 0.000 0.963 502 E CA 0.886 57.282 56.400 -0.006 0.000 0.949 502 E CB 0.236 29.964 29.700 0.047 0.000 0.911 502 E HN 0.387 nan 8.360 nan 0.000 0.500 503 G N 4.259 113.061 108.800 0.004 0.000 2.189 503 G HA2 -0.345 3.615 3.960 0.001 0.000 0.267 503 G HA3 -0.345 3.615 3.960 0.001 0.000 0.267 503 G C 0.451 175.361 174.900 0.018 0.000 0.975 503 G CA 0.200 45.311 45.100 0.018 0.000 0.644 503 G HN 0.703 nan 8.290 nan 0.000 0.537 504 I N 1.172 121.741 120.570 -0.002 0.000 2.880 504 I HA 0.155 4.326 4.170 0.001 0.000 0.296 504 I C 0.998 177.128 176.117 0.023 0.000 1.220 504 I CA 0.135 61.440 61.300 0.008 0.000 1.435 504 I CB 0.279 38.261 38.000 -0.031 0.000 1.339 504 I HN 0.153 nan 8.210 nan 0.000 0.583 505 K N 5.585 126.014 120.400 0.047 0.000 2.258 505 K HA 0.091 4.412 4.320 0.001 0.000 0.264 505 K C -0.555 176.078 176.600 0.056 0.000 1.007 505 K CA -0.617 55.700 56.287 0.051 0.000 0.941 505 K CB 0.245 32.784 32.500 0.066 0.000 0.966 505 K HN 0.498 nan 8.250 nan 0.000 0.480 506 D N 0.613 121.044 120.400 0.051 0.000 2.455 506 D HA 0.054 4.695 4.640 0.001 0.000 0.241 506 D C 1.194 177.542 176.300 0.080 0.000 1.138 506 D CA 1.202 55.237 54.000 0.058 0.000 0.877 506 D CB 0.665 41.495 40.800 0.049 0.000 1.187 506 D HN 0.764 nan 8.370 nan 0.000 0.451 507 G N 1.616 110.475 108.800 0.099 0.000 2.168 507 G HA2 -0.201 3.760 3.960 0.001 0.000 0.263 507 G HA3 -0.201 3.760 3.960 0.001 0.000 0.263 507 G C 0.806 175.793 174.900 0.146 0.000 0.977 507 G CA 0.262 45.435 45.100 0.123 0.000 0.659 507 G HN 0.812 nan 8.290 nan 0.000 0.533 508 G N -1.113 107.770 108.800 0.139 0.000 2.683 508 G HA2 0.539 4.500 3.960 0.001 0.000 0.260 508 G HA3 0.539 4.500 3.960 0.001 0.000 0.260 508 G C 0.247 175.280 174.900 0.222 0.000 1.238 508 G CA 0.838 46.034 45.100 0.161 0.000 0.934 508 G HN 1.110 nan 8.290 nan 0.000 0.534 509 T N -1.099 113.602 114.554 0.246 0.000 2.797 509 T HA 0.530 4.881 4.350 0.001 0.000 0.279 509 T C -1.451 173.403 174.700 0.257 0.000 0.991 509 T CA -0.681 61.610 62.100 0.317 0.000 0.979 509 T CB 0.658 69.734 68.868 0.346 0.000 0.943 509 T HN 0.385 nan 8.240 nan 0.000 0.444 510 F N 6.497 126.562 119.950 0.191 0.000 2.460 510 F HA 0.683 5.211 4.527 0.001 0.000 0.341 510 F C -1.408 174.548 175.800 0.261 0.000 1.130 510 F CA -1.444 56.634 58.000 0.129 0.000 0.962 510 F CB 1.208 40.313 39.000 0.175 0.000 1.171 510 F HN 0.362 nan 8.300 nan 0.000 0.436 511 V N 7.513 127.324 119.914 -0.172 0.000 2.398 511 V HA 0.520 4.640 4.120 0.001 0.000 0.286 511 V C -0.907 174.954 176.094 -0.389 0.000 1.026 511 V CA -0.731 61.428 62.300 -0.234 0.000 0.868 511 V CB 1.464 33.246 31.823 -0.069 0.000 0.982 511 V HN 0.698 nan 8.190 nan 0.000 0.443 512 L N 4.777 125.757 121.223 -0.404 0.000 2.385 512 L HA 0.655 4.995 4.340 0.001 0.000 0.273 512 L C -0.521 176.259 176.870 -0.149 0.000 0.990 512 L CA -0.320 54.363 54.840 -0.262 0.000 0.821 512 L CB 1.969 43.876 42.059 -0.255 0.000 1.279 512 L HN 0.691 nan 8.230 nan 0.000 0.412 513 N N 2.920 121.567 118.700 -0.088 0.000 2.426 513 N HA 0.713 5.454 4.740 0.001 0.000 0.257 513 N C -1.301 174.042 175.510 -0.278 0.000 1.002 513 N CA 0.366 53.334 53.050 -0.136 0.000 0.942 513 N CB 0.930 39.367 38.487 -0.084 0.000 1.112 513 N HN 0.789 nan 8.380 nan 0.000 0.499 514 S N 2.479 117.960 115.700 -0.365 0.000 2.595 514 S HA 0.504 4.975 4.470 0.001 0.000 0.270 514 S C -2.855 171.418 174.600 -0.545 0.000 1.145 514 S CA -0.920 56.860 58.200 -0.700 0.000 0.825 514 S CB 1.945 64.428 63.200 -1.195 0.000 1.107 514 S HN 0.402 nan 8.310 nan 0.000 0.461 515 P HA 0.261 nan 4.420 nan 0.000 0.261 515 P C -0.549 176.712 177.300 -0.065 0.000 1.352 515 P CA 0.055 62.980 63.100 -0.291 0.000 0.891 515 P CB -0.213 31.357 31.700 -0.217 0.000 1.383 516 W N 1.158 122.463 121.300 0.009 0.000 1.611 516 W HA 0.275 4.936 4.660 0.001 0.000 0.395 516 W C 0.866 177.480 176.519 0.158 0.000 0.698 516 W CA -0.662 56.731 57.345 0.080 0.000 1.845 516 W CB -1.080 28.429 29.460 0.082 0.000 1.818 516 W HN 0.002 nan 8.180 nan 0.000 0.270 517 S N 0.767 116.650 115.700 0.305 0.000 2.383 517 S HA -0.113 4.357 4.470 0.001 0.000 0.227 517 S C 1.315 176.123 174.600 0.346 0.000 1.026 517 S CA 0.963 59.332 58.200 0.282 0.000 0.981 517 S CB -0.071 63.221 63.200 0.152 0.000 0.818 517 S HN 0.392 nan 8.310 nan 0.000 0.472 518 S N 1.609 117.488 115.700 0.298 0.000 2.601 518 S HA 0.359 4.830 4.470 0.001 0.000 0.271 518 S C 0.857 175.682 174.600 0.374 0.000 1.305 518 S CA -0.754 57.590 58.200 0.240 0.000 1.022 518 S CB 1.015 64.316 63.200 0.168 0.000 0.940 518 S HN 0.131 nan 8.310 nan 0.000 0.525 519 L N 1.397 122.790 121.223 0.282 0.000 2.127 519 L HA -0.051 4.290 4.340 0.001 0.000 0.211 519 L C 2.431 179.520 176.870 0.366 0.000 1.089 519 L CA 2.241 57.338 54.840 0.427 0.000 0.757 519 L CB -1.070 41.102 42.059 0.188 0.000 0.899 519 L HN 1.035 nan 8.230 nan 0.000 0.434 520 E N -0.745 119.595 120.200 0.233 0.000 2.058 520 E HA -0.261 4.089 4.350 0.001 0.000 0.194 520 E C 1.658 178.358 176.600 0.166 0.000 0.997 520 E CA 1.687 58.190 56.400 0.170 0.000 0.801 520 E CB -0.062 29.709 29.700 0.119 0.000 0.746 520 E HN 0.550 nan 8.360 nan 0.000 0.450 521 D N 0.003 120.532 120.400 0.216 0.000 2.117 521 D HA -0.152 4.489 4.640 0.001 0.000 0.198 521 D C 1.855 178.263 176.300 0.181 0.000 0.982 521 D CA 0.985 55.119 54.000 0.222 0.000 0.828 521 D CB -0.228 40.773 40.800 0.336 0.000 0.967 521 D HN 0.203 nan 8.370 nan 0.000 0.464 522 M N 0.824 120.614 119.600 0.318 0.000 2.117 522 M HA -0.125 4.355 4.480 0.001 0.000 0.262 522 M C 1.127 177.507 176.300 0.134 0.000 1.065 522 M CA 1.457 56.931 55.300 0.290 0.000 1.114 522 M CB -0.213 32.668 32.600 0.469 0.000 1.361 522 M HN -0.227 nan 8.290 nan 0.000 0.408 523 D N -0.137 120.392 120.400 0.216 0.000 2.178 523 D HA -0.177 4.464 4.640 0.001 0.000 0.201 523 D C 1.923 178.165 176.300 -0.097 0.000 0.980 523 D CA 1.085 55.146 54.000 0.101 0.000 0.842 523 D CB -0.231 40.687 40.800 0.198 0.000 0.948 523 D HN 0.478 nan 8.370 nan 0.000 0.472 524 K N -0.408 119.903 120.400 -0.148 0.000 2.103 524 K HA -0.118 4.203 4.320 0.001 0.000 0.204 524 K C 1.388 177.644 176.600 -0.573 0.000 1.052 524 K CA 1.087 57.169 56.287 -0.341 0.000 0.945 524 K CB 0.075 32.341 32.500 -0.390 0.000 0.722 524 K HN 0.222 nan 8.250 nan 0.000 0.443 525 H N -0.916 117.830 119.070 -0.540 0.000 2.639 525 H HA 0.145 4.702 4.556 0.001 0.000 0.267 525 H C -0.463 174.501 175.328 -0.607 0.000 0.958 525 H CA -0.358 55.217 56.048 -0.787 0.000 1.221 525 H CB 0.478 29.146 29.762 -1.824 0.000 1.446 525 H HN 0.002 nan 8.280 nan 0.000 0.512 526 L N 3.079 124.090 121.223 -0.353 0.000 2.360 526 L HA 0.250 4.590 4.340 0.001 0.000 0.276 526 L C -2.305 174.386 176.870 -0.299 0.000 1.121 526 L CA -2.268 52.416 54.840 -0.260 0.000 0.845 526 L CB 0.598 42.493 42.059 -0.273 0.000 1.143 526 L HN -0.075 nan 8.230 nan 0.000 0.452 527 P HA 0.118 nan 4.420 nan 0.000 0.269 527 P C 0.454 177.576 177.300 -0.298 0.000 1.209 527 P CA -0.083 62.879 63.100 -0.231 0.000 0.776 527 P CB 0.679 32.276 31.700 -0.173 0.000 0.876 528 S N 1.693 117.236 115.700 -0.262 0.000 2.370 528 S HA -0.179 4.291 4.470 0.001 0.000 0.226 528 S C 2.190 176.638 174.600 -0.253 0.000 1.033 528 S CA 1.535 59.570 58.200 -0.274 0.000 1.011 528 S CB -1.828 61.258 63.200 -0.190 0.000 0.852 528 S HN 0.556 nan 8.310 nan 0.000 0.457 529 G N 1.962 110.639 108.800 -0.204 0.000 2.446 529 G HA2 -0.122 3.838 3.960 0.001 0.000 0.217 529 G HA3 -0.122 3.838 3.960 0.001 0.000 0.217 529 G C 1.442 176.209 174.900 -0.222 0.000 1.168 529 G CA 1.093 46.084 45.100 -0.181 0.000 0.771 529 G HN 0.574 nan 8.290 nan 0.000 0.551 530 I N 0.300 120.710 120.570 -0.267 0.000 2.202 530 I HA -0.148 4.022 4.170 0.001 0.000 0.242 530 I C 2.848 178.736 176.117 -0.383 0.000 1.091 530 I CA 1.249 62.359 61.300 -0.317 0.000 1.368 530 I CB -0.216 37.604 38.000 -0.301 0.000 1.058 530 I HN 0.138 nan 8.210 nan 0.000 0.410 531 K N 0.689 120.778 120.400 -0.518 0.000 2.044 531 K HA -0.212 4.108 4.320 0.001 0.000 0.210 531 K C 2.254 178.690 176.600 -0.273 0.000 1.049 531 K CA 1.604 57.459 56.287 -0.719 0.000 0.927 531 K CB -0.230 31.572 32.500 -1.164 0.000 0.713 531 K HN 0.283 nan 8.250 nan 0.000 0.443 532 R N 0.090 120.460 120.500 -0.218 0.000 2.081 532 R HA -0.075 4.265 4.340 0.001 0.000 0.235 532 R C 2.450 178.697 176.300 -0.088 0.000 1.131 532 R CA 1.690 57.733 56.100 -0.095 0.000 0.960 532 R CB -0.482 29.761 30.300 -0.094 0.000 0.856 532 R HN 0.171 nan 8.270 nan 0.000 0.436 533 T N 1.277 115.746 114.554 -0.142 0.000 2.746 533 T HA -0.081 4.270 4.350 0.001 0.000 0.267 533 T C 1.877 176.500 174.700 -0.129 0.000 1.039 533 T CA 1.181 63.202 62.100 -0.132 0.000 1.142 533 T CB -0.145 68.615 68.868 -0.180 0.000 0.866 533 T HN 0.129 nan 8.240 nan 0.000 0.444 534 I N 1.251 121.707 120.570 -0.190 0.000 2.127 534 I HA -0.227 3.943 4.170 0.001 0.000 0.241 534 I C 2.899 178.876 176.117 -0.234 0.000 1.075 534 I CA 1.361 62.521 61.300 -0.233 0.000 1.334 534 I CB -0.470 37.311 38.000 -0.365 0.000 1.040 534 I HN 0.205 nan 8.210 nan 0.000 0.405 535 A N 0.757 123.476 122.820 -0.168 0.000 1.873 535 A HA -0.173 4.148 4.320 0.001 0.000 0.215 535 A C 2.077 179.716 177.584 0.092 0.000 1.186 535 A CA 1.658 53.708 52.037 0.021 0.000 0.616 535 A CB -0.626 18.481 19.000 0.178 0.000 0.823 535 A HN 0.406 nan 8.150 nan 0.000 0.442 536 N N 0.085 118.811 118.700 0.043 0.000 2.244 536 N HA -0.086 4.655 4.740 0.001 0.000 0.183 536 N C 1.170 176.706 175.510 0.045 0.000 1.016 536 N CA 1.133 54.209 53.050 0.043 0.000 0.866 536 N CB -0.207 38.289 38.487 0.016 0.000 0.980 536 N HN 0.525 nan 8.380 nan 0.000 0.430 537 K N 0.984 121.403 120.400 0.032 0.000 2.417 537 K HA 0.132 4.453 4.320 0.001 0.000 0.196 537 K C -0.198 176.454 176.600 0.087 0.000 1.023 537 K CA -0.042 56.272 56.287 0.044 0.000 1.122 537 K CB 0.333 32.845 32.500 0.019 0.000 0.850 537 K HN 0.065 nan 8.250 nan 0.000 0.521 538 K N 1.393 121.869 120.400 0.125 0.000 3.077 538 K HA -0.183 4.138 4.320 0.001 0.000 0.264 538 K C -0.401 176.332 176.600 0.222 0.000 1.008 538 K CA 0.331 56.737 56.287 0.199 0.000 0.740 538 K CB -1.752 30.834 32.500 0.144 0.000 1.273 538 K HN 0.258 nan 8.250 nan 0.000 0.477 539 L N 0.878 122.229 121.223 0.213 0.000 2.452 539 L HA 0.101 4.442 4.340 0.001 0.000 0.267 539 L C 0.886 177.977 176.870 0.367 0.000 1.188 539 L CA -0.017 54.969 54.840 0.243 0.000 0.821 539 L CB 0.357 42.529 42.059 0.189 0.000 1.102 539 L HN 0.067 nan 8.230 nan 0.000 0.470 540 K N 2.852 123.465 120.400 0.355 0.000 2.250 540 K HA 0.244 4.565 4.320 0.001 0.000 0.280 540 K C -0.847 176.025 176.600 0.454 0.000 1.098 540 K CA -0.301 56.192 56.287 0.344 0.000 0.916 540 K CB 0.479 33.205 32.500 0.377 0.000 1.209 540 K HN 0.210 nan 8.250 nan 0.000 0.461 541 F N 3.773 123.854 119.950 0.218 0.000 2.410 541 F HA 0.296 4.823 4.527 0.001 0.000 0.349 541 F C -1.057 174.757 175.800 0.023 0.000 1.117 541 F CA -1.163 56.969 58.000 0.220 0.000 1.104 541 F CB 0.407 39.594 39.000 0.312 0.000 1.122 541 F HN 0.324 nan 8.300 nan 0.000 0.483 542 Y N 4.255 124.360 120.300 -0.324 0.000 2.350 542 Y HA 0.315 4.866 4.550 0.001 0.000 0.338 542 Y C -0.313 175.205 175.900 -0.637 0.000 0.961 542 Y CA -1.074 56.803 58.100 -0.371 0.000 1.100 542 Y CB 1.632 40.026 38.460 -0.109 0.000 1.179 542 Y HN 0.612 nan 8.280 nan 0.000 0.454 543 N N 3.321 121.792 118.700 -0.381 0.000 2.372 543 N HA 0.649 5.389 4.740 0.001 0.000 0.291 543 N C -1.784 173.673 175.510 -0.087 0.000 1.024 543 N CA -0.508 52.356 53.050 -0.309 0.000 0.873 543 N CB 1.160 39.475 38.487 -0.287 0.000 1.206 543 N HN 0.728 nan 8.380 nan 0.000 0.486 544 I N 1.775 122.293 120.570 -0.087 0.000 2.569 544 I HA 0.292 4.463 4.170 0.001 0.000 0.290 544 I C -1.188 174.882 176.117 -0.079 0.000 1.088 544 I CA -0.710 60.564 61.300 -0.044 0.000 1.047 544 I CB 1.581 39.572 38.000 -0.014 0.000 1.237 544 I HN 0.527 nan 8.210 nan 0.000 0.421 545 D N 6.596 126.958 120.400 -0.063 0.000 2.558 545 D HA 0.282 4.923 4.640 0.001 0.000 0.221 545 D C 1.047 177.303 176.300 -0.073 0.000 1.143 545 D CA 0.300 54.247 54.000 -0.089 0.000 1.010 545 D CB 1.165 41.927 40.800 -0.064 0.000 1.068 545 D HN 0.679 nan 8.370 nan 0.000 0.511 546 A N 2.418 125.188 122.820 -0.084 0.000 1.908 546 A HA -0.170 4.151 4.320 0.001 0.000 0.218 546 A C 2.290 179.835 177.584 -0.064 0.000 1.181 546 A CA 1.268 53.263 52.037 -0.069 0.000 0.627 546 A CB -0.366 18.584 19.000 -0.084 0.000 0.818 546 A HN 0.432 nan 8.150 nan 0.000 0.445 547 V N 0.360 120.229 119.914 -0.076 0.000 2.295 547 V HA -0.296 3.825 4.120 0.001 0.000 0.246 547 V C 2.559 178.624 176.094 -0.049 0.000 1.049 547 V CA 2.459 64.722 62.300 -0.063 0.000 1.024 547 V CB -0.706 31.074 31.823 -0.073 0.000 0.648 547 V HN 0.751 nan 8.190 nan 0.000 0.447 548 K N 0.161 120.531 120.400 -0.050 0.000 2.026 548 K HA -0.164 4.157 4.320 0.001 0.000 0.208 548 K C 2.128 178.710 176.600 -0.029 0.000 1.048 548 K CA 1.857 58.123 56.287 -0.035 0.000 0.929 548 K CB -0.267 32.214 32.500 -0.031 0.000 0.713 548 K HN 0.424 nan 8.250 nan 0.000 0.439 549 I N 1.199 121.751 120.570 -0.031 0.000 2.179 549 I HA -0.259 3.912 4.170 0.001 0.000 0.242 549 I C 2.588 178.687 176.117 -0.030 0.000 1.088 549 I CA 1.223 62.507 61.300 -0.026 0.000 1.357 549 I CB -0.474 37.512 38.000 -0.022 0.000 1.051 549 I HN 0.301 nan 8.210 nan 0.000 0.409 550 A N 0.437 123.236 122.820 -0.035 0.000 1.908 550 A HA -0.225 4.096 4.320 0.001 0.000 0.218 550 A C 2.379 179.941 177.584 -0.036 0.000 1.181 550 A CA 2.567 54.581 52.037 -0.039 0.000 0.627 550 A CB -1.126 17.851 19.000 -0.039 0.000 0.818 550 A HN 0.405 nan 8.150 nan 0.000 0.445 551 T N 0.292 114.827 114.554 -0.032 0.000 2.708 551 T HA -0.122 4.229 4.350 0.001 0.000 0.266 551 T C 1.450 176.135 174.700 -0.026 0.000 1.037 551 T CA 1.523 63.607 62.100 -0.027 0.000 1.146 551 T CB -0.424 68.430 68.868 -0.024 0.000 0.865 551 T HN 0.490 nan 8.240 nan 0.000 0.435 552 D N 1.137 121.522 120.400 -0.024 0.000 2.219 552 D HA -0.065 4.576 4.640 0.001 0.000 0.205 552 D C 2.137 178.422 176.300 -0.026 0.000 0.970 552 D CA 0.875 54.862 54.000 -0.022 0.000 0.851 552 D CB -0.290 40.500 40.800 -0.018 0.000 0.943 552 D HN 0.470 nan 8.370 nan 0.000 0.488 553 V N -3.452 116.442 119.914 -0.033 0.000 3.649 553 V HA 0.481 4.601 4.120 0.001 0.000 0.275 553 V C 1.461 177.527 176.094 -0.047 0.000 1.281 553 V CA 0.736 63.012 62.300 -0.040 0.000 1.143 553 V CB 0.106 31.901 31.823 -0.047 0.000 0.892 553 V HN 0.215 nan 8.190 nan 0.000 0.441 554 G N 0.771 109.546 108.800 -0.043 0.000 2.179 554 G HA2 -0.222 3.739 3.960 0.001 0.000 0.220 554 G HA3 -0.222 3.739 3.960 0.001 0.000 0.220 554 G C 0.400 175.270 174.900 -0.050 0.000 0.990 554 G CA 0.247 45.320 45.100 -0.044 0.000 0.646 554 G HN 0.501 nan 8.290 nan 0.000 0.517 555 L N 1.055 122.246 121.223 -0.054 0.000 2.627 555 L HA 0.361 4.702 4.340 0.001 0.000 0.233 555 L C 2.015 178.862 176.870 -0.038 0.000 1.144 555 L CA 0.519 55.325 54.840 -0.056 0.000 0.892 555 L CB -0.359 41.661 42.059 -0.065 0.000 1.039 555 L HN 0.836 nan 8.230 nan 0.000 0.442 556 G N 0.641 109.421 108.800 -0.032 0.000 2.356 556 G HA2 -0.225 3.736 3.960 0.001 0.000 0.296 556 G HA3 -0.225 3.736 3.960 0.001 0.000 0.296 556 G C 1.049 175.935 174.900 -0.022 0.000 1.022 556 G CA 0.498 45.584 45.100 -0.024 0.000 0.961 556 G HN 0.673 nan 8.290 nan 0.000 0.510 557 G N -1.397 107.387 108.800 -0.027 0.000 2.253 557 G HA2 -0.292 3.669 3.960 0.001 0.000 0.251 557 G HA3 -0.292 3.669 3.960 0.001 0.000 0.251 557 G C 0.693 175.577 174.900 -0.027 0.000 0.998 557 G CA 0.602 45.685 45.100 -0.028 0.000 0.621 557 G HN 0.968 nan 8.290 nan 0.000 0.524 558 R N 1.051 121.538 120.500 -0.022 0.000 2.458 558 R HA 0.263 4.603 4.340 0.001 0.000 0.303 558 R C 1.904 178.190 176.300 -0.024 0.000 1.013 558 R CA 0.483 56.574 56.100 -0.016 0.000 1.026 558 R CB -0.050 30.245 30.300 -0.007 0.000 0.948 558 R HN 0.780 nan 8.270 nan 0.000 0.417 559 I N 0.500 121.053 120.570 -0.027 0.000 3.603 559 I HA -0.077 4.094 4.170 0.001 0.000 0.297 559 I C 1.325 177.413 176.117 -0.048 0.000 1.269 559 I CA 0.306 61.577 61.300 -0.047 0.000 1.361 559 I CB -0.160 37.797 38.000 -0.070 0.000 1.063 559 I HN 0.393 nan 8.210 nan 0.000 0.448 560 N N 2.086 120.777 118.700 -0.016 0.000 2.060 560 N HA -0.319 4.421 4.740 0.001 0.000 0.195 560 N C 1.764 177.286 175.510 0.020 0.000 1.028 560 N CA 2.166 55.220 53.050 0.006 0.000 0.861 560 N CB -0.575 37.935 38.487 0.039 0.000 1.029 560 N HN 0.311 nan 8.380 nan 0.000 0.428 561 M N -0.397 119.214 119.600 0.018 0.000 2.229 561 M HA 0.119 4.600 4.480 0.001 0.000 0.264 561 M C 1.333 177.646 176.300 0.023 0.000 1.063 561 M CA 1.116 56.430 55.300 0.022 0.000 1.114 561 M CB -0.300 32.291 32.600 -0.015 0.000 1.387 561 M HN 0.253 nan 8.290 nan 0.000 0.420 562 I N -0.451 120.119 120.570 -0.000 0.000 2.202 562 I HA -0.252 3.919 4.170 0.001 0.000 0.242 562 I C 2.005 178.141 176.117 0.031 0.000 1.091 562 I CA 1.237 62.540 61.300 0.005 0.000 1.368 562 I CB -0.680 37.306 38.000 -0.022 0.000 1.058 562 I HN 0.248 nan 8.210 nan 0.000 0.410 563 M N -0.564 119.025 119.600 -0.018 0.000 2.319 563 M HA -0.138 4.343 4.480 0.001 0.000 0.265 563 M C 2.246 178.677 176.300 0.218 0.000 1.068 563 M CA 1.286 56.580 55.300 -0.011 0.000 1.118 563 M CB -1.305 31.017 32.600 -0.465 0.000 1.395 563 M HN 0.271 nan 8.290 nan 0.000 0.435 564 Q N 0.493 120.414 119.800 0.203 0.000 2.079 564 Q HA -0.081 4.260 4.340 0.001 0.000 0.200 564 Q C 1.789 178.056 176.000 0.445 0.000 0.974 564 Q CA 2.243 58.253 55.803 0.345 0.000 0.840 564 Q CB -0.393 28.486 28.738 0.234 0.000 0.898 564 Q HN 0.457 nan 8.270 nan 0.000 0.430 565 T N 0.409 115.112 114.554 0.249 0.000 2.788 565 T HA -0.118 4.233 4.350 0.001 0.000 0.268 565 T C 1.716 176.554 174.700 0.229 0.000 1.044 565 T CA 1.242 63.463 62.100 0.200 0.000 1.139 565 T CB -0.575 68.349 68.868 0.092 0.000 0.867 565 T HN 0.471 nan 8.240 nan 0.000 0.454 566 A N 1.205 124.166 122.820 0.233 0.000 1.902 566 A HA -0.052 4.269 4.320 0.001 0.000 0.217 566 A C 1.999 179.735 177.584 0.255 0.000 1.181 566 A CA 1.469 53.638 52.037 0.220 0.000 0.623 566 A CB -0.939 18.215 19.000 0.257 0.000 0.818 566 A HN 0.504 nan 8.150 nan 0.000 0.443 567 F N -0.413 119.667 119.950 0.217 0.000 2.075 567 F HA -0.127 4.401 4.527 0.001 0.000 0.297 567 F C 1.904 177.604 175.800 -0.167 0.000 1.113 567 F CA 1.656 59.620 58.000 -0.060 0.000 1.218 567 F CB -0.599 38.484 39.000 0.137 0.000 0.984 567 F HN 0.192 nan 8.300 nan 0.000 0.472 568 F N 0.921 120.712 119.950 -0.265 0.000 2.171 568 F HA -0.158 4.369 4.527 0.001 0.000 0.300 568 F C 2.591 178.215 175.800 -0.295 0.000 1.090 568 F CA 2.021 59.797 58.000 -0.372 0.000 1.293 568 F CB -0.520 38.416 39.000 -0.107 0.000 1.013 568 F HN -0.012 nan 8.300 nan 0.000 0.486 569 K N 0.232 120.643 120.400 0.019 0.000 2.137 569 K HA -0.009 4.312 4.320 0.001 0.000 0.202 569 K C 1.592 178.177 176.600 -0.025 0.000 1.052 569 K CA 0.992 57.319 56.287 0.067 0.000 0.961 569 K CB 0.065 32.653 32.500 0.147 0.000 0.741 569 K HN 0.289 nan 8.250 nan 0.000 0.452 570 L N -0.450 120.701 121.223 -0.120 0.000 2.609 570 L HA 0.269 4.610 4.340 0.001 0.000 0.230 570 L C 2.173 178.974 176.870 -0.115 0.000 1.087 570 L CA 0.232 55.007 54.840 -0.107 0.000 0.874 570 L CB 0.160 42.126 42.059 -0.154 0.000 1.114 570 L HN 0.060 nan 8.230 nan 0.000 0.488 571 A N 0.626 123.174 122.820 -0.454 0.000 2.070 571 A HA 0.070 4.390 4.320 0.001 0.000 0.220 571 A C 1.905 179.338 177.584 -0.252 0.000 1.159 571 A CA 1.230 52.942 52.037 -0.542 0.000 0.656 571 A CB -0.721 17.604 19.000 -1.126 0.000 0.800 571 A HN 0.555 nan 8.150 nan 0.000 0.453 572 G N -2.348 106.312 108.800 -0.234 0.000 2.143 572 G HA2 -0.248 3.713 3.960 0.001 0.000 0.248 572 G HA3 -0.248 3.713 3.960 0.001 0.000 0.248 572 G C 0.762 175.571 174.900 -0.153 0.000 0.991 572 G CA 0.530 45.558 45.100 -0.121 0.000 0.689 572 G HN 0.734 nan 8.290 nan 0.000 0.522 573 V N -0.547 119.183 119.914 -0.306 0.000 2.599 573 V HA 0.345 4.466 4.120 0.001 0.000 0.245 573 V C 1.361 177.312 176.094 -0.238 0.000 1.046 573 V CA 1.805 63.923 62.300 -0.304 0.000 1.065 573 V CB -0.060 31.414 31.823 -0.583 0.000 0.703 573 V HN 0.410 nan 8.190 nan 0.000 0.464 574 L N 0.523 121.603 121.223 -0.239 0.000 2.371 574 L HA 0.519 4.860 4.340 0.001 0.000 0.262 574 L C -2.546 174.283 176.870 -0.068 0.000 1.006 574 L CA -1.878 52.882 54.840 -0.135 0.000 0.818 574 L CB 1.976 43.960 42.059 -0.125 0.000 1.354 574 L HN -0.034 nan 8.230 nan 0.000 0.415 575 P HA 0.020 nan 4.420 nan 0.000 0.272 575 P C 0.635 177.970 177.300 0.059 0.000 1.223 575 P CA -0.235 62.885 63.100 0.033 0.000 0.784 575 P CB 0.842 32.562 31.700 0.033 0.000 0.923 576 F N 2.234 122.170 119.950 -0.022 0.000 2.063 576 F HA -0.275 4.253 4.527 0.001 0.000 0.298 576 F C 2.106 177.904 175.800 -0.003 0.000 1.109 576 F CA 2.018 60.011 58.000 -0.012 0.000 1.212 576 F CB -0.222 38.774 39.000 -0.007 0.000 0.973 576 F HN 0.396 nan 8.300 nan 0.000 0.480 577 E N -0.029 120.150 120.200 -0.035 0.000 2.077 577 E HA -0.279 4.072 4.350 0.001 0.000 0.193 577 E C 2.192 178.685 176.600 -0.179 0.000 0.989 577 E CA 1.470 57.779 56.400 -0.150 0.000 0.800 577 E CB -0.309 29.405 29.700 0.024 0.000 0.746 577 E HN 0.454 nan 8.360 nan 0.000 0.452 578 K N 0.859 121.200 120.400 -0.099 0.000 2.057 578 K HA -0.125 4.196 4.320 0.001 0.000 0.206 578 K C 2.201 178.747 176.600 -0.090 0.000 1.050 578 K CA 1.056 57.298 56.287 -0.076 0.000 0.935 578 K CB -0.101 32.377 32.500 -0.038 0.000 0.715 578 K HN 0.072 nan 8.250 nan 0.000 0.439 579 A N 0.708 123.470 122.820 -0.097 0.000 1.873 579 A HA -0.160 4.161 4.320 0.001 0.000 0.218 579 A C 2.243 179.742 177.584 -0.141 0.000 1.193 579 A CA 2.023 54.058 52.037 -0.004 0.000 0.629 579 A CB -0.848 18.150 19.000 -0.004 0.000 0.826 579 A HN 0.181 nan 8.150 nan 0.000 0.447 580 V N 0.509 120.218 119.914 -0.343 0.000 2.358 580 V HA -0.229 3.892 4.120 0.001 0.000 0.246 580 V C 2.392 178.339 176.094 -0.246 0.000 1.047 580 V CA 2.322 64.411 62.300 -0.352 0.000 1.035 580 V CB -0.879 30.638 31.823 -0.510 0.000 0.658 580 V HN 0.674 nan 8.190 nan 0.000 0.452 581 D N 0.497 120.773 120.400 -0.207 0.000 2.092 581 D HA -0.177 4.464 4.640 0.001 0.000 0.193 581 D C 2.051 178.273 176.300 -0.129 0.000 0.994 581 D CA 1.654 55.569 54.000 -0.142 0.000 0.828 581 D CB -0.271 40.463 40.800 -0.110 0.000 0.963 581 D HN 0.361 nan 8.370 nan 0.000 0.450 582 L N 0.080 121.232 121.223 -0.119 0.000 2.131 582 L HA -0.129 4.211 4.340 0.001 0.000 0.210 582 L C 2.729 179.485 176.870 -0.190 0.000 1.092 582 L CA 0.464 55.245 54.840 -0.099 0.000 0.759 582 L CB -0.333 41.720 42.059 -0.010 0.000 0.903 582 L HN 0.211 nan 8.230 nan 0.000 0.435 583 L N -0.400 120.613 121.223 -0.350 0.000 2.044 583 L HA -0.175 4.166 4.340 0.001 0.000 0.205 583 L C 2.779 179.523 176.870 -0.209 0.000 1.075 583 L CA 1.207 55.763 54.840 -0.474 0.000 0.747 583 L CB -0.209 41.465 42.059 -0.642 0.000 0.903 583 L HN 0.218 nan 8.230 nan 0.000 0.435 584 K N 0.094 120.410 120.400 -0.140 0.000 2.063 584 K HA -0.166 4.155 4.320 0.001 0.000 0.208 584 K C 2.006 178.651 176.600 0.077 0.000 1.048 584 K CA 1.041 57.319 56.287 -0.015 0.000 0.928 584 K CB -0.276 32.209 32.500 -0.025 0.000 0.713 584 K HN 0.252 nan 8.250 nan 0.000 0.442 585 K N 0.930 121.319 120.400 -0.019 0.000 2.009 585 K HA -0.115 4.205 4.320 0.001 0.000 0.210 585 K C 2.298 178.928 176.600 0.049 0.000 1.049 585 K CA 1.830 58.111 56.287 -0.010 0.000 0.929 585 K CB -0.711 31.759 32.500 -0.049 0.000 0.714 585 K HN 0.293 nan 8.250 nan 0.000 0.440 586 S N 1.284 116.986 115.700 0.003 0.000 2.383 586 S HA -0.143 4.328 4.470 0.001 0.000 0.229 586 S C 2.217 176.853 174.600 0.061 0.000 1.030 586 S CA 1.190 59.398 58.200 0.013 0.000 1.002 586 S CB -0.687 62.498 63.200 -0.025 0.000 0.829 586 S HN 0.248 nan 8.310 nan 0.000 0.467 587 I N 1.226 121.849 120.570 0.088 0.000 2.286 587 I HA -0.188 3.983 4.170 0.001 0.000 0.248 587 I C 2.650 178.841 176.117 0.125 0.000 1.115 587 I CA 1.796 63.186 61.300 0.151 0.000 1.392 587 I CB -0.492 37.535 38.000 0.045 0.000 1.065 587 I HN 0.346 nan 8.210 nan 0.000 0.418 588 H N 0.376 119.472 119.070 0.042 0.000 2.363 588 H HA -0.127 4.430 4.556 0.002 0.000 0.301 588 H C 2.211 177.554 175.328 0.026 0.000 1.074 588 H CA 1.411 57.478 56.048 0.032 0.000 1.354 588 H CB -0.057 29.704 29.762 -0.001 0.000 1.397 588 H HN 0.169 nan 8.280 nan 0.000 0.516 589 K N 0.884 121.361 120.400 0.129 0.000 1.977 589 K HA -0.089 4.232 4.320 0.001 0.000 0.218 589 K C 1.194 177.799 176.600 0.008 0.000 1.051 589 K CA 1.073 57.389 56.287 0.048 0.000 0.953 589 K CB -0.274 32.238 32.500 0.020 0.000 0.727 589 K HN 0.240 nan 8.250 nan 0.000 0.445 590 A N -0.145 122.658 122.820 -0.027 0.000 2.281 590 A HA 0.250 4.570 4.320 0.001 0.000 0.271 590 A C -0.233 177.304 177.584 -0.078 0.000 1.196 590 A CA 0.064 52.005 52.037 -0.160 0.000 0.807 590 A CB -0.390 18.421 19.000 -0.315 0.000 1.138 590 A HN 0.472 nan 8.150 nan 0.000 0.506 591 Y N -1.730 118.542 120.300 -0.047 0.000 2.353 591 Y HA -0.259 4.292 4.550 0.001 0.000 0.357 591 Y C 2.111 177.973 175.900 -0.063 0.000 0.979 591 Y CA 1.554 59.617 58.100 -0.063 0.000 1.930 591 Y CB -1.615 36.792 38.460 -0.088 0.000 0.989 591 Y HN 2.157 nan 8.280 nan 0.000 0.724 592 G N -0.728 108.142 108.800 0.118 0.000 2.343 592 G HA2 -0.462 3.499 3.960 0.001 0.000 0.264 592 G HA3 -0.462 3.499 3.960 0.001 0.000 0.264 592 G C 0.930 175.846 174.900 0.026 0.000 0.989 592 G CA 1.273 46.389 45.100 0.027 0.000 0.627 592 G HN 0.824 nan 8.290 nan 0.000 0.549 593 K N 0.467 120.887 120.400 0.032 0.000 2.500 593 K HA 0.323 4.644 4.320 0.001 0.000 0.206 593 K C 0.997 177.607 176.600 0.017 0.000 1.034 593 K CA 0.227 56.521 56.287 0.011 0.000 1.179 593 K CB -0.139 32.356 32.500 -0.008 0.000 0.884 593 K HN 0.363 nan 8.250 nan 0.000 0.493 594 K N -0.110 120.307 120.400 0.029 0.000 2.609 594 K HA 0.177 4.498 4.320 0.001 0.000 0.195 594 K C -0.383 176.219 176.600 0.003 0.000 1.144 594 K CA 0.036 56.337 56.287 0.024 0.000 1.084 594 K CB 1.701 34.235 32.500 0.058 0.000 0.877 594 K HN 0.290 nan 8.250 nan 0.000 0.540 595 G N 1.674 110.471 108.800 -0.004 0.000 2.699 595 G HA2 -0.212 3.748 3.960 0.001 0.000 0.686 595 G HA3 -0.212 3.748 3.960 0.001 0.000 0.686 595 G C 0.027 174.906 174.900 -0.035 0.000 1.301 595 G CA -0.656 44.434 45.100 -0.017 0.000 0.816 595 G HN 0.115 nan 8.290 nan 0.000 0.595 596 E N 0.150 120.329 120.200 -0.035 0.000 2.153 596 E HA -0.052 4.299 4.350 0.001 0.000 0.194 596 E C 2.368 178.926 176.600 -0.070 0.000 0.988 596 E CA 1.513 57.883 56.400 -0.050 0.000 0.811 596 E CB -0.030 29.654 29.700 -0.027 0.000 0.746 596 E HN 0.625 nan 8.360 nan 0.000 0.466 597 K N 0.605 120.971 120.400 -0.057 0.000 2.009 597 K HA -0.170 4.151 4.320 0.001 0.000 0.210 597 K C 1.838 178.380 176.600 -0.096 0.000 1.049 597 K CA 1.436 57.684 56.287 -0.064 0.000 0.929 597 K CB -0.086 32.386 32.500 -0.048 0.000 0.714 597 K HN 0.031 nan 8.250 nan 0.000 0.440 598 I N 1.260 121.770 120.570 -0.100 0.000 2.208 598 I HA -0.236 3.935 4.170 0.001 0.000 0.245 598 I C 2.445 178.415 176.117 -0.246 0.000 1.097 598 I CA 1.068 62.276 61.300 -0.154 0.000 1.363 598 I CB -1.131 36.806 38.000 -0.104 0.000 1.051 598 I HN 0.066 nan 8.210 nan 0.000 0.413 599 V N 1.352 121.139 119.914 -0.211 0.000 2.287 599 V HA -0.300 3.821 4.120 0.001 0.000 0.248 599 V C 2.646 178.592 176.094 -0.247 0.000 1.053 599 V CA 2.139 64.272 62.300 -0.279 0.000 1.027 599 V CB -0.806 30.831 31.823 -0.310 0.000 0.646 599 V HN 0.333 nan 8.190 nan 0.000 0.447 600 K N 0.391 120.689 120.400 -0.170 0.000 2.063 600 K HA -0.158 4.162 4.320 0.001 0.000 0.208 600 K C 2.016 178.542 176.600 -0.123 0.000 1.048 600 K CA 1.960 58.175 56.287 -0.119 0.000 0.928 600 K CB -0.520 31.933 32.500 -0.079 0.000 0.713 600 K HN 0.427 nan 8.250 nan 0.000 0.442 601 M N 0.036 119.550 119.600 -0.142 0.000 2.117 601 M HA -0.163 4.318 4.480 0.001 0.000 0.262 601 M C 1.704 177.907 176.300 -0.161 0.000 1.065 601 M CA 2.094 57.313 55.300 -0.136 0.000 1.114 601 M CB -0.562 31.954 32.600 -0.141 0.000 1.361 601 M HN 0.207 nan 8.290 nan 0.000 0.408 602 N N -0.202 118.355 118.700 -0.238 0.000 2.216 602 N HA -0.111 4.630 4.740 0.001 0.000 0.183 602 N C 1.760 177.177 175.510 -0.156 0.000 1.017 602 N CA 1.915 54.817 53.050 -0.247 0.000 0.861 602 N CB -0.201 38.026 38.487 -0.432 0.000 0.986 602 N HN 0.453 nan 8.380 nan 0.000 0.428 603 T N -1.896 112.574 114.554 -0.139 0.000 2.904 603 T HA -0.023 4.328 4.350 0.001 0.000 0.267 603 T C 1.162 175.827 174.700 -0.058 0.000 1.059 603 T CA 0.960 63.012 62.100 -0.080 0.000 1.137 603 T CB -0.148 68.691 68.868 -0.049 0.000 0.879 603 T HN -0.039 nan 8.240 nan 0.000 0.467 604 D N 1.845 122.205 120.400 -0.065 0.000 2.183 604 D HA 0.163 4.803 4.640 0.001 0.000 0.203 604 D C 2.397 178.672 176.300 -0.041 0.000 0.969 604 D CA 1.185 55.157 54.000 -0.046 0.000 0.842 604 D CB -0.526 40.245 40.800 -0.049 0.000 0.957 604 D HN 0.565 nan 8.370 nan 0.000 0.484 605 A N 0.439 123.224 122.820 -0.057 0.000 1.898 605 A HA -0.115 4.206 4.320 0.001 0.000 0.216 605 A C 2.470 180.037 177.584 -0.028 0.000 1.181 605 A CA 1.048 53.057 52.037 -0.046 0.000 0.620 605 A CB -0.705 18.257 19.000 -0.063 0.000 0.819 605 A HN 0.128 nan 8.150 nan 0.000 0.442 606 V N 0.750 120.643 119.914 -0.035 0.000 2.287 606 V HA -0.268 3.853 4.120 0.001 0.000 0.248 606 V C 2.240 178.335 176.094 0.000 0.000 1.053 606 V CA 2.381 64.667 62.300 -0.023 0.000 1.027 606 V CB -0.852 30.941 31.823 -0.050 0.000 0.646 606 V HN 0.498 nan 8.190 nan 0.000 0.447 607 D N -0.530 119.868 120.400 -0.002 0.000 2.104 607 D HA -0.206 4.435 4.640 0.001 0.000 0.194 607 D C 2.211 178.526 176.300 0.026 0.000 0.994 607 D CA 1.587 55.598 54.000 0.018 0.000 0.830 607 D CB -0.287 40.518 40.800 0.009 0.000 0.959 607 D HN 0.414 nan 8.370 nan 0.000 0.452 608 Q N 0.667 120.473 119.800 0.011 0.000 2.124 608 Q HA -0.024 4.317 4.340 0.001 0.000 0.202 608 Q C 1.835 177.848 176.000 0.023 0.000 0.977 608 Q CA 1.742 57.552 55.803 0.012 0.000 0.850 608 Q CB -0.417 28.320 28.738 -0.001 0.000 0.901 608 Q HN 0.205 nan 8.270 nan 0.000 0.429 609 A N -0.744 122.091 122.820 0.024 0.000 1.873 609 A HA -0.104 4.216 4.320 0.001 0.000 0.215 609 A C 2.262 179.883 177.584 0.061 0.000 1.186 609 A CA 1.555 53.614 52.037 0.037 0.000 0.616 609 A CB -0.832 18.189 19.000 0.035 0.000 0.823 609 A HN 0.254 nan 8.150 nan 0.000 0.442 610 V N -0.127 119.834 119.914 0.078 0.000 2.407 610 V HA -0.231 3.890 4.120 0.001 0.000 0.248 610 V C 2.743 178.896 176.094 0.098 0.000 1.055 610 V CA 2.472 64.846 62.300 0.123 0.000 1.049 610 V CB -1.203 30.730 31.823 0.183 0.000 0.662 610 V HN 0.615 nan 8.190 nan 0.000 0.455 611 T N -0.324 114.272 114.554 0.070 0.000 2.708 611 T HA -0.159 4.192 4.350 0.001 0.000 0.266 611 T C 2.005 176.732 174.700 0.045 0.000 1.037 611 T CA 1.937 64.066 62.100 0.048 0.000 1.146 611 T CB -0.224 68.664 68.868 0.033 0.000 0.865 611 T HN 0.501 nan 8.240 nan 0.000 0.435 612 S N 0.805 116.533 115.700 0.046 0.000 2.489 612 S HA 0.212 4.683 4.470 0.001 0.000 0.228 612 S C 0.782 175.428 174.600 0.075 0.000 0.995 612 S CA 0.132 58.359 58.200 0.046 0.000 0.934 612 S CB -0.242 62.978 63.200 0.032 0.000 0.771 612 S HN 0.369 nan 8.310 nan 0.000 0.522 613 L N 3.383 124.665 121.223 0.098 0.000 2.448 613 L HA 0.177 4.518 4.340 0.001 0.000 0.278 613 L C -0.147 176.882 176.870 0.265 0.000 1.201 613 L CA -0.096 54.842 54.840 0.162 0.000 1.036 613 L CB -0.111 42.002 42.059 0.090 0.000 1.325 613 L HN 0.146 nan 8.230 nan 0.000 0.441 614 Q N 1.890 121.846 119.800 0.260 0.000 2.413 614 Q HA 0.400 4.741 4.340 0.001 0.000 0.276 614 Q C -0.492 175.481 176.000 -0.045 0.000 1.099 614 Q CA -0.775 55.123 55.803 0.158 0.000 0.814 614 Q CB 2.061 30.819 28.738 0.033 0.000 1.379 614 Q HN 0.386 nan 8.270 nan 0.000 0.436 615 E N 0.860 120.862 120.200 -0.330 0.000 2.413 615 E HA 0.032 4.383 4.350 0.001 0.000 0.263 615 E C -0.787 175.655 176.600 -0.263 0.000 1.015 615 E CA 0.154 56.191 56.400 -0.605 0.000 0.916 615 E CB 0.501 29.928 29.700 -0.455 0.000 0.947 615 E HN 0.312 nan 8.360 nan 0.000 0.440 616 F N 3.606 123.351 119.950 -0.341 0.000 2.421 616 F HA 0.117 4.644 4.527 0.001 0.000 0.358 616 F C 0.103 175.848 175.800 -0.091 0.000 1.115 616 F CA -0.811 57.083 58.000 -0.177 0.000 1.160 616 F CB 0.497 39.353 39.000 -0.240 0.000 1.123 616 F HN 0.061 nan 8.300 nan 0.000 0.508 617 K N 8.083 128.204 120.400 -0.466 0.000 2.315 617 K HA 0.062 4.383 4.320 0.001 0.000 0.291 617 K C -1.002 175.355 176.600 -0.404 0.000 1.074 617 K CA -0.038 55.990 56.287 -0.432 0.000 0.936 617 K CB -0.028 32.232 32.500 -0.399 0.000 1.049 617 K HN 0.631 nan 8.250 nan 0.000 0.471 618 Y N 1.388 121.544 120.300 -0.240 0.000 2.420 618 Y HA 0.615 5.166 4.550 0.001 0.000 0.334 618 Y C -2.254 173.335 175.900 -0.518 0.000 1.094 618 Y CA -3.290 54.456 58.100 -0.590 0.000 1.126 618 Y CB 0.029 37.913 38.460 -0.959 0.000 1.217 618 Y HN 0.376 nan 8.280 nan 0.000 0.462 619 P HA 0.141 nan 4.420 nan 0.000 0.276 619 P C -0.506 176.790 177.300 -0.006 0.000 1.244 619 P CA -0.142 62.841 63.100 -0.194 0.000 0.801 619 P CB 1.765 33.387 31.700 -0.130 0.000 1.006 620 D N 0.260 120.684 120.400 0.038 0.000 2.218 620 D HA -0.148 4.493 4.640 0.001 0.000 0.204 620 D C 1.899 178.292 176.300 0.156 0.000 0.976 620 D CA 1.588 55.654 54.000 0.109 0.000 0.853 620 D CB -0.083 40.753 40.800 0.059 0.000 0.939 620 D HN 0.378 nan 8.370 nan 0.000 0.481 621 S N -0.886 114.904 115.700 0.149 0.000 2.465 621 S HA -0.180 4.290 4.470 0.001 0.000 0.241 621 S C 1.686 176.465 174.600 0.298 0.000 1.000 621 S CA 0.293 58.604 58.200 0.184 0.000 0.964 621 S CB -0.694 62.603 63.200 0.163 0.000 0.763 621 S HN 0.352 nan 8.310 nan 0.000 0.512 622 W N 2.562 123.906 121.300 0.073 0.000 2.392 622 W HA 0.149 4.810 4.660 0.001 0.000 0.279 622 W C 2.180 178.695 176.519 -0.007 0.000 1.225 622 W CA -0.039 57.324 57.345 0.030 0.000 1.233 622 W CB -0.550 28.928 29.460 0.029 0.000 1.122 622 W HN 0.363 nan 8.180 nan 0.000 0.561 623 K N -0.212 120.328 120.400 0.234 0.000 2.173 623 K HA -0.206 4.115 4.320 0.001 0.000 0.207 623 K C 0.201 176.838 176.600 0.061 0.000 1.046 623 K CA 1.859 58.218 56.287 0.119 0.000 0.929 623 K CB -0.423 32.139 32.500 0.104 0.000 0.720 623 K HN 0.256 nan 8.250 nan 0.000 0.453 624 D N -1.327 119.112 120.400 0.064 0.000 2.945 624 D HA 0.229 4.870 4.640 0.001 0.000 0.366 624 D C -0.760 175.545 176.300 0.008 0.000 1.352 624 D CA -0.493 53.521 54.000 0.023 0.000 0.810 624 D CB 0.557 41.371 40.800 0.024 0.000 1.170 624 D HN 0.044 nan 8.370 nan 0.000 0.461 625 A N 2.078 124.889 122.820 -0.015 0.000 2.546 625 A HA 0.407 4.728 4.320 0.001 0.000 0.243 625 A C -1.746 175.795 177.584 -0.072 0.000 1.063 625 A CA -0.830 51.172 52.037 -0.059 0.000 0.757 625 A CB -0.029 18.861 19.000 -0.183 0.000 0.991 625 A HN 0.314 nan 8.150 nan 0.000 0.503 626 P HA 0.296 nan 4.420 nan 0.000 0.269 626 P C -0.185 177.067 177.300 -0.080 0.000 1.209 626 P CA 0.110 63.176 63.100 -0.057 0.000 0.776 626 P CB 0.865 32.540 31.700 -0.042 0.000 0.876 627 A N 2.351 125.129 122.820 -0.071 0.000 2.302 627 A HA 0.386 4.707 4.320 0.001 0.000 0.285 627 A C 0.626 178.166 177.584 -0.074 0.000 1.105 627 A CA -0.531 51.459 52.037 -0.080 0.000 0.816 627 A CB 0.042 19.001 19.000 -0.069 0.000 1.067 627 A HN 0.684 nan 8.150 nan 0.000 0.489 628 E N 0.222 120.374 120.200 -0.080 0.000 2.504 628 E HA 0.537 4.888 4.350 0.001 0.000 0.253 628 E C 0.393 176.957 176.600 -0.059 0.000 1.151 628 E CA -0.150 56.207 56.400 -0.072 0.000 0.972 628 E CB 0.360 30.010 29.700 -0.084 0.000 1.247 628 E HN 0.668 nan 8.360 nan 0.000 0.519 629 T N -1.672 112.851 114.554 -0.053 0.000 2.889 629 T HA 0.202 4.553 4.350 0.001 0.000 0.340 629 T C 0.071 174.746 174.700 -0.042 0.000 1.145 629 T CA -0.617 61.457 62.100 -0.043 0.000 0.986 629 T CB 0.088 68.933 68.868 -0.037 0.000 1.461 629 T HN 0.616 nan 8.240 nan 0.000 0.541 630 K N -0.161 120.218 120.400 -0.034 0.000 2.527 630 K HA 0.692 5.013 4.320 0.001 0.000 0.240 630 K C 0.030 176.616 176.600 -0.024 0.000 0.989 630 K CA -0.950 55.319 56.287 -0.030 0.000 0.985 630 K CB 1.247 33.730 32.500 -0.028 0.000 1.221 630 K HN 0.570 nan 8.250 nan 0.000 0.458 631 A N 2.958 125.764 122.820 -0.023 0.000 2.327 631 A HA 0.009 4.330 4.320 0.001 0.000 0.228 631 A C -0.052 177.527 177.584 -0.008 0.000 1.275 631 A CA -0.264 51.763 52.037 -0.016 0.000 0.875 631 A CB -0.685 18.304 19.000 -0.018 0.000 0.925 631 A HN 0.866 nan 8.150 nan 0.000 0.493 632 E N 2.123 122.318 120.200 -0.008 0.000 2.498 632 E HA 0.285 4.636 4.350 0.001 0.000 0.252 632 E C -1.958 174.644 176.600 0.002 0.000 1.025 632 E CA -1.146 55.256 56.400 0.003 0.000 0.938 632 E CB -0.304 29.395 29.700 -0.001 0.000 0.947 632 E HN 0.387 nan 8.360 nan 0.000 0.478 633 P HA 0.017 nan 4.420 nan 0.000 0.273 633 P C -0.356 176.939 177.300 -0.010 0.000 1.250 633 P CA -0.448 62.656 63.100 0.006 0.000 0.793 633 P CB 0.640 32.350 31.700 0.018 0.000 1.011 634 M N 0.390 119.986 119.600 -0.008 0.000 2.217 634 M HA 0.180 4.661 4.480 0.001 0.000 0.352 634 M C 0.366 176.607 176.300 -0.099 0.000 1.376 634 M CA 1.008 56.289 55.300 -0.032 0.000 1.107 634 M CB 0.206 32.805 32.600 -0.002 0.000 1.723 634 M HN 0.342 nan 8.290 nan 0.000 0.461 635 T N 1.969 116.387 114.554 -0.227 0.000 2.883 635 T HA 0.386 4.737 4.350 0.001 0.000 0.301 635 T C -0.729 173.677 174.700 -0.491 0.000 1.158 635 T CA -0.971 60.744 62.100 -0.642 0.000 1.007 635 T CB 1.355 69.950 68.868 -0.455 0.000 1.186 635 T HN 0.787 nan 8.240 nan 0.000 0.499 636 N N 0.693 118.974 118.700 -0.697 0.000 2.381 636 N HA 0.171 4.911 4.740 0.001 0.000 0.254 636 N C 0.967 176.439 175.510 -0.064 0.000 1.264 636 N CA -0.509 52.416 53.050 -0.208 0.000 0.942 636 N CB 0.372 38.846 38.487 -0.022 0.000 1.190 636 N HN 0.793 nan 8.380 nan 0.000 0.495 637 E N -0.621 119.588 120.200 0.015 0.000 2.097 637 E HA -0.244 4.107 4.350 0.001 0.000 0.196 637 E C 1.142 177.784 176.600 0.070 0.000 1.000 637 E CA 1.031 57.450 56.400 0.032 0.000 0.804 637 E CB -0.191 29.533 29.700 0.040 0.000 0.740 637 E HN 0.612 nan 8.360 nan 0.000 0.454 638 F N -0.159 119.793 119.950 0.003 0.000 2.186 638 F HA -0.116 4.412 4.527 0.001 0.000 0.299 638 F C 1.824 177.649 175.800 0.042 0.000 1.090 638 F CA 1.172 59.179 58.000 0.012 0.000 1.307 638 F CB -0.292 38.739 39.000 0.053 0.000 1.019 638 F HN 0.084 nan 8.300 nan 0.000 0.489 639 F N 1.128 121.091 119.950 0.021 0.000 2.186 639 F HA -0.121 4.406 4.527 0.001 0.000 0.299 639 F C 2.186 177.904 175.800 -0.138 0.000 1.090 639 F CA 1.698 59.670 58.000 -0.045 0.000 1.307 639 F CB -0.398 38.532 39.000 -0.117 0.000 1.019 639 F HN -0.168 nan 8.300 nan 0.000 0.489 640 K N -0.231 120.129 120.400 -0.067 0.000 2.062 640 K HA -0.108 4.213 4.320 0.001 0.000 0.205 640 K C 1.637 178.110 176.600 -0.212 0.000 1.051 640 K CA 1.414 57.627 56.287 -0.125 0.000 0.941 640 K CB -0.241 32.223 32.500 -0.060 0.000 0.719 640 K HN 0.227 nan 8.250 nan 0.000 0.440 641 N N -0.025 118.535 118.700 -0.234 0.000 2.376 641 N HA -0.052 4.689 4.740 0.001 0.000 0.177 641 N C 1.565 176.843 175.510 -0.386 0.000 1.024 641 N CA 0.857 53.748 53.050 -0.266 0.000 0.893 641 N CB 0.448 38.805 38.487 -0.216 0.000 0.980 641 N HN -0.012 nan 8.380 nan 0.000 0.439 642 V N -0.741 118.822 119.914 -0.584 0.000 3.102 642 V HA 0.086 4.207 4.120 0.001 0.000 0.225 642 V C 2.131 177.946 176.094 -0.465 0.000 1.301 642 V CA 0.230 62.148 62.300 -0.637 0.000 1.308 642 V CB 0.044 31.189 31.823 -1.129 0.000 1.129 642 V HN -0.133 nan 8.190 nan 0.000 0.502 643 V N 0.735 120.321 119.914 -0.547 0.000 2.270 643 V HA -0.251 3.870 4.120 0.001 0.000 0.245 643 V C 2.369 178.169 176.094 -0.489 0.000 1.043 643 V CA 2.596 64.677 62.300 -0.365 0.000 1.014 643 V CB -0.654 31.025 31.823 -0.240 0.000 0.645 643 V HN 0.499 nan 8.190 nan 0.000 0.447 644 K N 0.180 120.080 120.400 -0.833 0.000 2.063 644 K HA -0.178 4.143 4.320 0.001 0.000 0.208 644 K C -0.082 176.366 176.600 -0.252 0.000 1.048 644 K CA 1.830 57.766 56.287 -0.585 0.000 0.928 644 K CB -1.070 31.105 32.500 -0.542 0.000 0.713 644 K HN 0.389 nan 8.250 nan 0.000 0.442 645 P HA -0.155 nan 4.420 nan 0.000 0.216 645 P C 1.099 178.374 177.300 -0.042 0.000 1.150 645 P CA 1.298 64.330 63.100 -0.113 0.000 0.837 645 P CB 0.058 31.682 31.700 -0.127 0.000 0.786 646 I N -1.561 118.985 120.570 -0.041 0.000 2.252 646 I HA -0.190 3.981 4.170 0.001 0.000 0.245 646 I C 2.183 178.338 176.117 0.063 0.000 1.102 646 I CA 1.200 62.524 61.300 0.040 0.000 1.385 646 I CB -0.585 37.468 38.000 0.089 0.000 1.064 646 I HN -0.116 nan 8.210 nan 0.000 0.414 647 L N 0.364 121.611 121.223 0.040 0.000 2.191 647 L HA -0.149 4.192 4.340 0.001 0.000 0.212 647 L C 2.144 179.131 176.870 0.195 0.000 1.103 647 L CA 1.548 56.454 54.840 0.109 0.000 0.769 647 L CB -0.803 41.309 42.059 0.088 0.000 0.908 647 L HN 0.423 nan 8.230 nan 0.000 0.438 648 T N -4.006 110.629 114.554 0.134 0.000 3.278 648 T HA 0.072 4.423 4.350 0.001 0.000 0.251 648 T C 0.631 175.499 174.700 0.280 0.000 1.039 648 T CA -0.375 61.850 62.100 0.209 0.000 0.935 648 T CB 0.247 69.139 68.868 0.039 0.000 1.034 648 T HN 0.263 nan 8.240 nan 0.000 0.575 649 Q N 0.222 120.149 119.800 0.211 0.000 2.494 649 Q HA -0.155 4.186 4.340 0.001 0.000 0.272 649 Q C 0.101 176.164 176.000 0.104 0.000 1.145 649 Q CA 0.761 56.649 55.803 0.142 0.000 0.943 649 Q CB -2.043 26.795 28.738 0.166 0.000 1.338 649 Q HN 0.644 nan 8.270 nan 0.000 0.492 650 Q N -1.755 118.092 119.800 0.078 0.000 2.155 650 Q HA 0.239 4.580 4.340 0.001 0.000 0.220 650 Q C 1.653 177.681 176.000 0.047 0.000 0.819 650 Q CA 0.709 56.544 55.803 0.052 0.000 1.032 650 Q CB 0.737 29.493 28.738 0.029 0.000 1.151 650 Q HN 0.442 nan 8.270 nan 0.000 0.487 651 G N 1.451 110.288 108.800 0.062 0.000 2.450 651 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 651 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 651 G C 1.079 176.043 174.900 0.106 0.000 1.130 651 G CA 0.631 45.789 45.100 0.098 0.000 0.760 651 G HN 0.288 nan 8.290 nan 0.000 0.557 652 D N 0.363 120.802 120.400 0.064 0.000 2.263 652 D HA -0.051 4.590 4.640 0.001 0.000 0.208 652 D C 2.186 178.523 176.300 0.062 0.000 0.971 652 D CA 0.742 54.774 54.000 0.054 0.000 0.867 652 D CB 0.036 40.854 40.800 0.029 0.000 0.929 652 D HN 0.362 nan 8.370 nan 0.000 0.492 653 K N 0.047 120.480 120.400 0.054 0.000 2.418 653 K HA 0.103 4.423 4.320 0.001 0.000 0.195 653 K C 0.740 177.365 176.600 0.043 0.000 1.035 653 K CA -0.045 56.265 56.287 0.038 0.000 1.003 653 K CB 0.449 32.959 32.500 0.017 0.000 0.793 653 K HN 0.077 nan 8.250 nan 0.000 0.494 654 L N 4.006 125.275 121.223 0.078 0.000 2.410 654 L HA 0.121 4.461 4.340 0.001 0.000 0.273 654 L C -1.875 175.083 176.870 0.146 0.000 1.144 654 L CA -1.761 53.120 54.840 0.068 0.000 0.863 654 L CB 0.124 42.236 42.059 0.088 0.000 1.140 654 L HN -0.028 nan 8.230 nan 0.000 0.463 655 P HA 0.077 nan 4.420 nan 0.000 0.276 655 P C 0.947 178.355 177.300 0.180 0.000 1.261 655 P CA -0.530 62.627 63.100 0.095 0.000 0.800 655 P CB 1.347 33.062 31.700 0.025 0.000 1.066 656 V N 0.919 120.937 119.914 0.173 0.000 2.380 656 V HA -0.254 3.866 4.120 0.001 0.000 0.251 656 V C 2.670 178.875 176.094 0.184 0.000 1.063 656 V CA 2.887 65.322 62.300 0.225 0.000 1.055 656 V CB -1.768 30.122 31.823 0.111 0.000 0.657 656 V HN 0.768 nan 8.190 nan 0.000 0.455 657 S N 0.903 116.640 115.700 0.061 0.000 2.500 657 S HA -0.085 4.386 4.470 0.001 0.000 0.239 657 S C 1.868 176.414 174.600 -0.090 0.000 0.989 657 S CA 1.111 59.311 58.200 -0.000 0.000 0.951 657 S CB -0.441 62.748 63.200 -0.018 0.000 0.759 657 S HN 0.610 nan 8.310 nan 0.000 0.523 658 A N 0.174 122.853 122.820 -0.235 0.000 2.167 658 A HA 0.418 4.739 4.320 0.001 0.000 0.214 658 A C 0.364 177.505 177.584 -0.737 0.000 1.151 658 A CA 0.069 51.772 52.037 -0.556 0.000 0.735 658 A CB -0.398 18.106 19.000 -0.826 0.000 0.802 658 A HN 0.522 nan 8.150 nan 0.000 0.467 659 F N -0.286 119.656 119.950 -0.013 0.000 2.523 659 F HA 0.459 4.987 4.527 0.001 0.000 0.329 659 F C 0.396 176.191 175.800 -0.008 0.000 1.061 659 F CA -1.158 56.836 58.000 -0.010 0.000 0.967 659 F CB 0.894 39.907 39.000 0.021 0.000 1.218 659 F HN -0.093 nan 8.300 nan 0.000 0.480 660 E N 0.707 121.015 120.200 0.181 0.000 2.338 660 E HA 0.226 4.577 4.350 0.001 0.000 0.272 660 E C 0.728 177.404 176.600 0.126 0.000 1.029 660 E CA 0.033 56.500 56.400 0.112 0.000 0.872 660 E CB 1.572 31.323 29.700 0.086 0.000 1.015 660 E HN 0.780 nan 8.360 nan 0.000 0.417 661 A N 3.828 126.697 122.820 0.083 0.000 1.917 661 A HA -0.239 4.082 4.320 0.001 0.000 0.219 661 A C 1.342 178.974 177.584 0.080 0.000 1.182 661 A CA 2.165 54.237 52.037 0.060 0.000 0.633 661 A CB -0.339 18.686 19.000 0.043 0.000 0.819 661 A HN 0.617 nan 8.150 nan 0.000 0.448 662 D N -2.306 118.158 120.400 0.107 0.000 2.328 662 D HA 0.301 4.942 4.640 0.001 0.000 0.226 662 D C 1.124 177.551 176.300 0.211 0.000 1.066 662 D CA 0.854 54.938 54.000 0.139 0.000 0.861 662 D CB -0.669 40.199 40.800 0.113 0.000 0.912 662 D HN 0.822 nan 8.370 nan 0.000 0.521 663 G N 1.147 110.102 108.800 0.258 0.000 2.184 663 G HA2 -0.377 3.583 3.960 0.001 0.000 0.264 663 G HA3 -0.377 3.583 3.960 0.001 0.000 0.264 663 G C 0.400 175.545 174.900 0.408 0.000 0.975 663 G CA 0.238 45.575 45.100 0.395 0.000 0.642 663 G HN 0.783 nan 8.290 nan 0.000 0.536 664 R N -1.043 119.629 120.500 0.288 0.000 2.694 664 R HA 0.628 4.968 4.340 0.001 0.000 0.268 664 R C -0.655 175.836 176.300 0.318 0.000 1.061 664 R CA -0.062 56.209 56.100 0.284 0.000 1.133 664 R CB 0.430 30.825 30.300 0.160 0.000 1.020 664 R HN 0.109 nan 8.270 nan 0.000 0.475 665 F N 0.710 120.714 119.950 0.090 0.000 2.603 665 F HA 0.515 5.043 4.527 0.001 0.000 0.317 665 F C -1.858 173.896 175.800 -0.075 0.000 1.066 665 F CA -2.375 55.644 58.000 0.032 0.000 0.941 665 F CB 1.983 41.059 39.000 0.127 0.000 1.291 665 F HN 0.601 nan 8.300 nan 0.000 0.472 666 P HA 0.398 nan 4.420 nan 0.000 0.279 666 P C -1.146 176.172 177.300 0.030 0.000 1.252 666 P CA -0.412 62.608 63.100 -0.133 0.000 0.811 666 P CB 1.322 32.782 31.700 -0.399 0.000 1.035 667 L N 0.295 121.542 121.223 0.040 0.000 2.456 667 L HA 0.413 4.754 4.340 0.001 0.000 0.257 667 L C 1.751 178.680 176.870 0.098 0.000 1.162 667 L CA 1.321 56.209 54.840 0.081 0.000 0.808 667 L CB -0.506 41.594 42.059 0.068 0.000 1.136 667 L HN 0.860 nan 8.230 nan 0.000 0.466 668 G N -0.392 108.464 108.800 0.093 0.000 2.153 668 G HA2 -0.341 3.620 3.960 0.001 0.000 0.252 668 G HA3 -0.341 3.620 3.960 0.001 0.000 0.252 668 G C 0.895 175.871 174.900 0.128 0.000 0.994 668 G CA 0.841 45.980 45.100 0.065 0.000 0.698 668 G HN 0.864 nan 8.290 nan 0.000 0.521 669 T N -1.679 113.036 114.554 0.269 0.000 3.035 669 T HA 0.077 4.427 4.350 0.001 0.000 0.268 669 T C 2.523 177.444 174.700 0.369 0.000 1.109 669 T CA 1.849 64.233 62.100 0.472 0.000 1.119 669 T CB -0.265 68.972 68.868 0.614 0.000 0.900 669 T HN 1.308 nan 8.240 nan 0.000 0.503 670 S N 0.759 116.585 115.700 0.210 0.000 2.522 670 S HA -0.037 4.434 4.470 0.001 0.000 0.227 670 S C 2.001 176.674 174.600 0.123 0.000 0.986 670 S CA -0.062 58.262 58.200 0.207 0.000 0.929 670 S CB -0.421 62.902 63.200 0.206 0.000 0.769 670 S HN 0.374 nan 8.310 nan 0.000 0.529 671 Q N 0.548 120.276 119.800 -0.121 0.000 2.234 671 Q HA 0.002 4.343 4.340 0.001 0.000 0.206 671 Q C 0.864 176.458 176.000 -0.676 0.000 0.980 671 Q CA 1.212 56.785 55.803 -0.384 0.000 0.869 671 Q CB -0.455 27.795 28.738 -0.814 0.000 0.912 671 Q HN 0.844 nan 8.270 nan 0.000 0.436 672 F N -0.470 119.326 119.950 -0.258 0.000 2.695 672 F HA 0.184 4.712 4.527 0.002 0.000 0.303 672 F C 1.843 177.391 175.800 -0.419 0.000 1.091 672 F CA -0.249 57.405 58.000 -0.576 0.000 1.300 672 F CB 0.281 38.460 39.000 -1.369 0.000 1.071 672 F HN 0.005 nan 8.300 nan 0.000 0.578 673 E N 0.828 121.023 120.200 -0.009 0.000 2.072 673 E HA -0.116 4.235 4.350 0.001 0.000 0.191 673 E C 0.431 177.063 176.600 0.054 0.000 0.985 673 E CA 0.475 56.969 56.400 0.157 0.000 0.801 673 E CB -0.022 29.802 29.700 0.208 0.000 0.750 673 E HN -0.002 nan 8.360 nan 0.000 0.452 674 K N 0.976 121.328 120.400 -0.079 0.000 3.834 674 K HA -0.269 4.051 4.320 0.001 0.000 0.276 674 K C 0.459 177.043 176.600 -0.028 0.000 0.850 674 K CA 0.575 56.792 56.287 -0.117 0.000 0.704 674 K CB -1.055 31.380 32.500 -0.109 0.000 1.644 674 K HN 0.318 nan 8.250 nan 0.000 0.440 675 R N 0.177 120.677 120.500 -0.001 0.000 2.096 675 R HA -0.094 4.246 4.340 0.001 0.000 0.235 675 R C 1.401 177.723 176.300 0.036 0.000 1.127 675 R CA 0.942 57.071 56.100 0.049 0.000 0.968 675 R CB -0.046 30.299 30.300 0.075 0.000 0.861 675 R HN 0.666 nan 8.270 nan 0.000 0.440 676 G N 1.058 109.856 108.800 -0.004 0.000 2.338 676 G HA2 -0.224 3.737 3.960 0.001 0.000 0.296 676 G HA3 -0.224 3.737 3.960 0.001 0.000 0.296 676 G C 0.509 175.423 174.900 0.022 0.000 1.040 676 G CA 0.423 45.523 45.100 0.000 0.000 1.004 676 G HN 0.362 nan 8.290 nan 0.000 0.509 677 V N -3.254 116.671 119.914 0.018 0.000 3.621 677 V HA 0.739 4.860 4.120 0.001 0.000 0.285 677 V C 1.434 177.535 176.094 0.011 0.000 1.346 677 V CA 0.627 62.947 62.300 0.034 0.000 1.104 677 V CB -0.102 31.756 31.823 0.058 0.000 0.913 677 V HN 1.595 nan 8.190 nan 0.000 0.432 678 A N 0.269 123.084 122.820 -0.010 0.000 2.407 678 A HA 0.653 4.974 4.320 0.001 0.000 0.248 678 A C 1.016 178.600 177.584 -0.000 0.000 1.082 678 A CA -0.086 51.942 52.037 -0.015 0.000 0.785 678 A CB 0.417 19.401 19.000 -0.027 0.000 1.020 678 A HN 0.361 nan 8.150 nan 0.000 0.489 679 I N 0.490 121.061 120.570 0.001 0.000 2.429 679 I HA 0.006 4.177 4.170 0.001 0.000 0.247 679 I C 0.346 176.467 176.117 0.006 0.000 1.099 679 I CA 0.534 61.837 61.300 0.005 0.000 1.422 679 I CB -0.064 37.939 38.000 0.005 0.000 1.112 679 I HN 0.565 nan 8.210 nan 0.000 0.430 680 N N 0.570 119.273 118.700 0.005 0.000 2.292 680 N HA 0.534 5.275 4.740 0.001 0.000 0.303 680 N C -0.997 174.517 175.510 0.007 0.000 1.140 680 N CA -0.260 52.796 53.050 0.009 0.000 0.788 680 N CB 3.009 41.502 38.487 0.010 0.000 1.361 680 N HN -0.093 nan 8.380 nan 0.000 0.489 681 V N -1.664 118.258 119.914 0.013 0.000 3.007 681 V HA 0.735 4.856 4.120 0.001 0.000 0.311 681 V C -2.736 173.374 176.094 0.027 0.000 1.120 681 V CA -2.207 60.101 62.300 0.014 0.000 0.980 681 V CB 2.609 34.438 31.823 0.010 0.000 1.033 681 V HN 0.474 nan 8.190 nan 0.000 0.429 682 P HA 0.232 nan 4.420 nan 0.000 0.275 682 P C -1.304 176.038 177.300 0.070 0.000 1.228 682 P CA 0.004 63.136 63.100 0.052 0.000 0.786 682 P CB 1.090 32.823 31.700 0.056 0.000 0.927 683 Q N 2.579 122.432 119.800 0.088 0.000 2.331 683 Q HA 0.273 4.614 4.340 0.001 0.000 0.267 683 Q C -1.435 174.672 176.000 0.178 0.000 1.006 683 Q CA -0.832 55.037 55.803 0.109 0.000 0.818 683 Q CB 1.005 29.784 28.738 0.069 0.000 1.276 683 Q HN 0.396 nan 8.270 nan 0.000 0.450 684 W N 4.691 125.983 121.300 -0.013 0.000 2.238 684 W HA 0.361 5.021 4.660 0.001 0.000 0.321 684 W C -1.113 175.401 176.519 -0.010 0.000 1.293 684 W CA -0.351 56.986 57.345 -0.013 0.000 1.204 684 W CB 0.931 30.369 29.460 -0.035 0.000 1.167 684 W HN 0.402 nan 8.180 nan 0.000 0.553 685 V N 10.197 129.887 119.914 -0.374 0.000 2.266 685 V HA 0.120 4.241 4.120 0.001 0.000 0.266 685 V C -1.082 174.528 176.094 -0.807 0.000 1.036 685 V CA -1.262 60.775 62.300 -0.439 0.000 0.828 685 V CB 0.879 32.583 31.823 -0.199 0.000 1.081 685 V HN 0.536 nan 8.190 nan 0.000 0.449 686 P HA -0.227 nan 4.420 nan 0.000 0.218 686 P C 1.082 178.070 177.300 -0.521 0.000 1.152 686 P CA 1.497 63.802 63.100 -1.324 0.000 0.857 686 P CB 0.565 31.543 31.700 -1.205 0.000 0.787 687 E N -0.074 119.914 120.200 -0.353 0.000 2.267 687 E HA -0.154 4.197 4.350 0.001 0.000 0.197 687 E C 1.543 178.065 176.600 -0.130 0.000 0.998 687 E CA 1.314 57.604 56.400 -0.184 0.000 0.830 687 E CB -0.876 28.740 29.700 -0.140 0.000 0.751 687 E HN 0.558 nan 8.360 nan 0.000 0.491 688 N N -0.965 117.645 118.700 -0.150 0.000 2.282 688 N HA 0.075 4.816 4.740 0.001 0.000 0.185 688 N C -0.194 175.304 175.510 -0.019 0.000 1.099 688 N CA -0.339 52.668 53.050 -0.072 0.000 0.878 688 N CB 0.451 38.901 38.487 -0.061 0.000 0.993 688 N HN 0.038 nan 8.380 nan 0.000 0.481 689 C N 2.101 121.393 119.300 -0.013 0.000 2.648 689 C HA 0.153 4.614 4.460 0.001 0.000 0.419 689 C C 1.676 176.746 174.990 0.133 0.000 1.352 689 C CA -0.492 58.623 59.018 0.163 0.000 1.816 689 C CB -0.946 27.052 27.740 0.430 0.000 2.598 689 C HN 0.477 nan 8.230 nan 0.000 0.598 690 I N 2.157 122.794 120.570 0.111 0.000 3.941 690 I HA 0.238 4.408 4.170 0.001 0.000 0.335 690 I C 0.700 176.799 176.117 -0.029 0.000 1.402 690 I CA -0.062 61.258 61.300 0.034 0.000 1.112 690 I CB -0.697 37.309 38.000 0.011 0.000 1.043 690 I HN 0.845 nan 8.210 nan 0.000 0.395 691 Q N 0.913 120.706 119.800 -0.011 0.000 2.451 691 Q HA -0.233 4.108 4.340 0.001 0.000 0.305 691 Q C 1.198 177.033 176.000 -0.275 0.000 1.345 691 Q CA 0.672 56.254 55.803 -0.368 0.000 0.854 691 Q CB -2.204 26.065 28.738 -0.782 0.000 1.162 691 Q HN 0.948 nan 8.270 nan 0.000 0.440 692 C N -2.889 116.364 119.300 -0.079 0.000 2.780 692 C HA 0.221 4.682 4.460 0.001 0.000 0.267 692 C C 1.037 175.979 174.990 -0.079 0.000 1.266 692 C CA 0.171 59.139 59.018 -0.084 0.000 1.709 692 C CB -0.016 27.693 27.740 -0.051 0.000 1.975 692 C HN 0.728 nan 8.230 nan 0.000 0.582 693 N N 0.776 119.475 118.700 -0.002 0.000 2.753 693 N HA -0.215 4.525 4.740 0.001 0.000 0.251 693 N C 0.754 176.268 175.510 0.007 0.000 1.097 693 N CA 1.486 54.532 53.050 -0.006 0.000 0.786 693 N CB -1.594 36.800 38.487 -0.154 0.000 1.137 693 N HN 0.790 nan 8.380 nan 0.000 0.566 694 Q N -0.836 118.961 119.800 -0.005 0.000 2.172 694 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 694 Q C 2.268 178.307 176.000 0.065 0.000 0.964 694 Q CA 1.761 57.560 55.803 -0.007 0.000 0.855 694 Q CB -0.070 28.638 28.738 -0.050 0.000 0.918 694 Q HN 0.847 nan 8.270 nan 0.000 0.444 695 C N -0.399 118.932 119.300 0.053 0.000 2.432 695 C HA 0.030 4.491 4.460 0.001 0.000 0.277 695 C C 2.742 177.756 174.990 0.040 0.000 1.249 695 C CA 0.478 59.524 59.018 0.047 0.000 1.725 695 C CB -1.338 26.425 27.740 0.038 0.000 2.028 695 C HN 0.453 nan 8.230 nan 0.000 0.477 696 A N -0.058 122.779 122.820 0.028 0.000 1.969 696 A HA -0.025 4.295 4.320 0.001 0.000 0.218 696 A C 1.989 179.583 177.584 0.016 0.000 1.169 696 A CA 1.476 53.512 52.037 -0.001 0.000 0.635 696 A CB -1.011 17.969 19.000 -0.032 0.000 0.810 696 A HN 0.627 nan 8.150 nan 0.000 0.445 697 F N 0.734 120.635 119.950 -0.081 0.000 2.134 697 F HA -0.174 4.354 4.527 0.002 0.000 0.299 697 F C 2.174 177.918 175.800 -0.093 0.000 1.097 697 F CA 2.073 60.026 58.000 -0.078 0.000 1.264 697 F CB 0.163 39.127 39.000 -0.061 0.000 1.001 697 F HN 0.137 nan 8.300 nan 0.000 0.479 698 V N -2.241 117.765 119.914 0.153 0.000 3.541 698 V HA 0.100 4.221 4.120 0.001 0.000 0.267 698 V C 0.967 177.027 176.094 -0.056 0.000 1.213 698 V CA -0.329 61.990 62.300 0.032 0.000 1.149 698 V CB -1.510 30.342 31.823 0.048 0.000 0.822 698 V HN 0.321 nan 8.190 nan 0.000 0.462 699 C N 3.206 122.474 119.300 -0.053 0.000 2.638 699 C HA 0.352 4.813 4.460 0.001 0.000 0.410 699 C C -0.501 174.422 174.990 -0.113 0.000 1.404 699 C CA -0.505 58.483 59.018 -0.049 0.000 1.651 699 C CB 0.472 28.200 27.740 -0.021 0.000 2.495 699 C HN 0.490 nan 8.230 nan 0.000 0.606 700 P HA 0.054 nan 4.420 nan 0.000 0.242 700 P C -0.040 176.949 177.300 -0.519 0.000 1.197 700 P CA 1.257 64.200 63.100 -0.261 0.000 0.765 700 P CB 0.037 31.645 31.700 -0.153 0.000 0.936 701 H N -3.493 115.499 119.070 -0.130 0.000 3.230 701 H HA 0.286 4.842 4.556 0.001 0.000 0.259 701 H C 0.487 175.795 175.328 -0.034 0.000 1.195 701 H CA -0.074 55.928 56.048 -0.075 0.000 1.112 701 H CB 0.124 29.900 29.762 0.023 0.000 1.638 701 H HN -0.217 nan 8.280 nan 0.000 0.624 702 S N 0.168 115.845 115.700 -0.037 0.000 3.635 702 S HA -0.249 4.222 4.470 0.001 0.000 0.328 702 S C 1.315 176.002 174.600 0.144 0.000 1.135 702 S CA 0.480 58.640 58.200 -0.066 0.000 0.942 702 S CB -1.430 61.589 63.200 -0.301 0.000 0.930 702 S HN 0.683 nan 8.310 nan 0.000 0.512 703 A N -0.002 122.919 122.820 0.168 0.000 2.251 703 A HA 0.465 4.786 4.320 0.001 0.000 0.209 703 A C 0.631 178.253 177.584 0.064 0.000 1.187 703 A CA 0.317 52.452 52.037 0.163 0.000 0.823 703 A CB 0.027 19.091 19.000 0.106 0.000 0.846 703 A HN 0.670 nan 8.150 nan 0.000 0.486 704 I N 0.604 121.189 120.570 0.025 0.000 2.389 704 I HA 0.337 4.508 4.170 0.001 0.000 0.288 704 I C -1.090 174.999 176.117 -0.047 0.000 0.999 704 I CA -0.813 60.467 61.300 -0.032 0.000 1.129 704 I CB 1.923 39.894 38.000 -0.049 0.000 1.288 704 I HN 0.083 nan 8.210 nan 0.000 0.444 705 L N 9.938 131.117 121.223 -0.074 0.000 2.318 705 L HA 0.625 4.966 4.340 0.001 0.000 0.277 705 L C -2.654 174.135 176.870 -0.135 0.000 1.008 705 L CA -1.855 52.946 54.840 -0.066 0.000 0.846 705 L CB 1.143 43.191 42.059 -0.019 0.000 1.220 705 L HN 0.218 nan 8.230 nan 0.000 0.423 706 P HA 0.225 nan 4.420 nan 0.000 0.276 706 P C -1.180 176.085 177.300 -0.060 0.000 1.235 706 P CA -0.113 62.907 63.100 -0.133 0.000 0.772 706 P CB 1.187 32.923 31.700 0.060 0.000 0.871 707 V N 5.142 124.909 119.914 -0.245 0.000 2.448 707 V HA 0.409 4.530 4.120 0.001 0.000 0.295 707 V C -0.260 175.784 176.094 -0.082 0.000 1.025 707 V CA -0.489 61.745 62.300 -0.110 0.000 0.859 707 V CB 1.574 33.355 31.823 -0.070 0.000 0.988 707 V HN 0.339 nan 8.190 nan 0.000 0.431 708 L N 5.241 126.436 121.223 -0.046 0.000 2.427 708 L HA 0.908 5.248 4.340 0.001 0.000 0.264 708 L C -0.159 176.717 176.870 0.010 0.000 0.989 708 L CA 0.040 54.830 54.840 -0.083 0.000 0.865 708 L CB 1.089 42.816 42.059 -0.553 0.000 1.209 708 L HN 0.780 nan 8.230 nan 0.000 0.430 709 A N 4.277 127.207 122.820 0.183 0.000 2.469 709 A HA 0.783 5.104 4.320 0.001 0.000 0.299 709 A C -1.012 176.738 177.584 0.276 0.000 1.098 709 A CA -0.860 51.315 52.037 0.230 0.000 0.737 709 A CB 1.334 20.435 19.000 0.168 0.000 1.312 709 A HN 0.573 nan 8.150 nan 0.000 0.414 710 K N 1.022 121.524 120.400 0.168 0.000 2.218 710 K HA 0.182 4.503 4.320 0.001 0.000 0.276 710 K C 0.838 177.466 176.600 0.047 0.000 1.022 710 K CA 0.195 56.485 56.287 0.005 0.000 0.946 710 K CB 1.109 33.573 32.500 -0.059 0.000 1.000 710 K HN 0.854 nan 8.250 nan 0.000 0.468 711 E N 2.344 122.559 120.200 0.025 0.000 2.233 711 E HA -0.310 4.041 4.350 0.001 0.000 0.199 711 E C 1.066 177.697 176.600 0.051 0.000 1.004 711 E CA 1.787 58.219 56.400 0.054 0.000 0.819 711 E CB -0.175 29.545 29.700 0.033 0.000 0.738 711 E HN 0.741 nan 8.360 nan 0.000 0.478 712 E N 1.329 121.545 120.200 0.027 0.000 2.338 712 E HA -0.174 4.177 4.350 0.001 0.000 0.197 712 E C 1.330 177.956 176.600 0.043 0.000 1.007 712 E CA 0.995 57.411 56.400 0.026 0.000 0.849 712 E CB -0.123 29.581 29.700 0.006 0.000 0.774 712 E HN 0.503 nan 8.360 nan 0.000 0.506 713 E N 0.351 120.586 120.200 0.059 0.000 2.474 713 E HA 0.051 4.402 4.350 0.001 0.000 0.194 713 E C 0.840 177.519 176.600 0.131 0.000 1.041 713 E CA -0.090 56.348 56.400 0.064 0.000 0.874 713 E CB 0.392 30.120 29.700 0.047 0.000 0.914 713 E HN 0.207 nan 8.360 nan 0.000 0.498 714 L N 0.893 122.208 121.223 0.153 0.000 2.741 714 L HA 0.118 4.459 4.340 0.001 0.000 0.237 714 L C 1.660 178.596 176.870 0.111 0.000 1.178 714 L CA 0.286 55.245 54.840 0.198 0.000 0.973 714 L CB -0.290 41.899 42.059 0.217 0.000 1.255 714 L HN 0.009 nan 8.230 nan 0.000 0.498 715 V N 1.092 121.063 119.914 0.096 0.000 2.214 715 V HA -0.192 3.929 4.120 0.001 0.000 0.245 715 V C 2.182 178.282 176.094 0.009 0.000 1.047 715 V CA 2.247 64.576 62.300 0.048 0.000 0.998 715 V CB -0.831 31.019 31.823 0.044 0.000 0.633 715 V HN 0.577 nan 8.190 nan 0.000 0.446 716 G N -0.362 108.459 108.800 0.034 0.000 3.279 716 G HA2 0.366 4.327 3.960 0.001 0.000 0.230 716 G HA3 0.366 4.327 3.960 0.001 0.000 0.230 716 G C 0.409 175.115 174.900 -0.323 0.000 1.230 716 G CA 0.460 45.535 45.100 -0.042 0.000 0.891 716 G HN 0.634 nan 8.290 nan 0.000 0.518 717 A N 0.904 123.445 122.820 -0.465 0.000 2.440 717 A HA 0.583 4.903 4.320 0.001 0.000 0.251 717 A C -1.825 175.413 177.584 -0.577 0.000 1.089 717 A CA -0.966 50.434 52.037 -1.061 0.000 0.779 717 A CB 0.356 19.032 19.000 -0.541 0.000 1.022 717 A HN 0.220 nan 8.150 nan 0.000 0.492 718 P HA 0.113 nan 4.420 nan 0.000 0.267 718 P C 0.990 178.254 177.300 -0.060 0.000 1.201 718 P CA 0.695 63.660 63.100 -0.224 0.000 0.775 718 P CB 0.594 32.210 31.700 -0.141 0.000 0.854 719 A N 3.073 125.877 122.820 -0.027 0.000 1.948 719 A HA -0.228 4.093 4.320 0.001 0.000 0.220 719 A C 1.480 179.095 177.584 0.050 0.000 1.177 719 A CA 2.103 54.146 52.037 0.010 0.000 0.636 719 A CB -1.355 17.647 19.000 0.003 0.000 0.815 719 A HN 0.830 nan 8.150 nan 0.000 0.449 720 N N -2.485 116.257 118.700 0.070 0.000 2.268 720 N HA 0.108 4.849 4.740 0.001 0.000 0.204 720 N C 0.158 175.750 175.510 0.137 0.000 1.124 720 N CA -0.355 52.746 53.050 0.085 0.000 0.838 720 N CB -0.065 38.462 38.487 0.067 0.000 0.994 720 N HN 0.257 nan 8.380 nan 0.000 0.489 721 F N 3.202 123.153 119.950 0.002 0.000 2.651 721 F HA 0.133 4.661 4.527 0.002 0.000 0.369 721 F C 0.089 175.939 175.800 0.083 0.000 1.187 721 F CA -0.232 57.787 58.000 0.033 0.000 1.335 721 F CB -0.911 38.070 39.000 -0.032 0.000 1.707 721 F HN -0.093 nan 8.300 nan 0.000 0.637 722 T N 2.803 117.368 114.554 0.018 0.000 2.871 722 T HA 0.400 4.751 4.350 0.001 0.000 0.296 722 T C 0.266 175.008 174.700 0.070 0.000 0.998 722 T CA 0.243 62.372 62.100 0.048 0.000 1.162 722 T CB 0.432 69.320 68.868 0.032 0.000 0.947 722 T HN 0.525 nan 8.240 nan 0.000 0.536 723 A N 3.783 126.672 122.820 0.114 0.000 2.401 723 A HA 0.805 5.126 4.320 0.001 0.000 0.310 723 A C -0.575 177.132 177.584 0.205 0.000 1.075 723 A CA -0.871 51.267 52.037 0.169 0.000 0.746 723 A CB 1.110 20.204 19.000 0.156 0.000 1.277 723 A HN 0.780 nan 8.150 nan 0.000 0.425 724 L N 0.624 122.029 121.223 0.304 0.000 2.358 724 L HA 0.430 4.771 4.340 0.001 0.000 0.268 724 L C 0.200 177.220 176.870 0.250 0.000 1.032 724 L CA -0.719 54.280 54.840 0.265 0.000 0.805 724 L CB 1.323 43.592 42.059 0.350 0.000 1.253 724 L HN 0.728 nan 8.230 nan 0.000 0.452 725 E N 1.294 121.600 120.200 0.176 0.000 2.257 725 E HA 0.286 4.637 4.350 0.001 0.000 0.278 725 E C -0.313 176.385 176.600 0.164 0.000 1.049 725 E CA -0.522 55.969 56.400 0.152 0.000 0.876 725 E CB 1.173 30.932 29.700 0.098 0.000 1.035 725 E HN 0.592 nan 8.360 nan 0.000 0.419 726 A N 3.948 126.887 122.820 0.198 0.000 2.566 726 A HA -0.023 4.298 4.320 0.001 0.000 0.245 726 A C 0.368 178.000 177.584 0.080 0.000 1.056 726 A CA 0.137 52.273 52.037 0.164 0.000 0.757 726 A CB 0.089 19.224 19.000 0.226 0.000 0.979 726 A HN 0.488 nan 8.150 nan 0.000 0.508 727 K N 1.986 122.388 120.400 0.003 0.000 2.098 727 K HA 0.573 4.894 4.320 0.001 0.000 0.257 727 K C 0.361 176.962 176.600 0.002 0.000 0.999 727 K CA 0.937 57.220 56.287 -0.007 0.000 0.924 727 K CB 0.773 33.243 32.500 -0.049 0.000 1.028 727 K HN 2.095 nan 8.250 nan 0.000 0.466 728 G N 2.306 111.113 108.800 0.012 0.000 2.907 728 G HA2 -0.150 3.811 3.960 0.001 0.000 0.686 728 G HA3 -0.150 3.811 3.960 0.001 0.000 0.686 728 G C -0.017 174.907 174.900 0.040 0.000 1.115 728 G CA -0.147 44.965 45.100 0.020 0.000 0.760 728 G HN 0.597 nan 8.290 nan 0.000 0.620 729 K N 0.502 120.923 120.400 0.035 0.000 2.063 729 K HA -0.115 4.206 4.320 0.001 0.000 0.208 729 K C 1.913 178.548 176.600 0.058 0.000 1.048 729 K CA 1.749 58.061 56.287 0.041 0.000 0.928 729 K CB -0.009 32.509 32.500 0.031 0.000 0.713 729 K HN 0.554 nan 8.250 nan 0.000 0.442 730 E N 0.530 120.765 120.200 0.058 0.000 2.418 730 E HA -0.060 4.290 4.350 0.001 0.000 0.197 730 E C 1.530 178.197 176.600 0.111 0.000 1.026 730 E CA 0.745 57.188 56.400 0.072 0.000 0.862 730 E CB 0.170 29.901 29.700 0.052 0.000 0.799 730 E HN 0.363 nan 8.360 nan 0.000 0.518 731 L N -0.185 121.109 121.223 0.118 0.000 2.766 731 L HA 0.142 4.483 4.340 0.001 0.000 0.242 731 L C 1.675 178.717 176.870 0.287 0.000 1.136 731 L CA -0.191 54.767 54.840 0.197 0.000 0.933 731 L CB 0.216 42.320 42.059 0.075 0.000 1.241 731 L HN -0.095 nan 8.230 nan 0.000 0.522 732 K N 1.219 121.718 120.400 0.166 0.000 1.975 732 K HA -0.290 4.031 4.320 0.001 0.000 0.233 732 K C 1.819 178.473 176.600 0.091 0.000 0.991 732 K CA 2.147 58.498 56.287 0.106 0.000 1.022 732 K CB -0.882 31.655 32.500 0.062 0.000 0.723 732 K HN 0.436 nan 8.250 nan 0.000 0.473 733 G N -0.077 108.729 108.800 0.009 0.000 2.653 733 G HA2 -0.134 3.827 3.960 0.001 0.000 0.212 733 G HA3 -0.134 3.827 3.960 0.001 0.000 0.212 733 G C 0.136 174.950 174.900 -0.143 0.000 1.138 733 G CA 0.404 45.444 45.100 -0.100 0.000 0.782 733 G HN 0.178 nan 8.290 nan 0.000 0.535 734 Y N -0.095 120.226 120.300 0.035 0.000 2.334 734 Y HA 0.480 5.030 4.550 0.001 0.000 0.325 734 Y C 0.676 176.631 175.900 0.092 0.000 1.308 734 Y CA -0.511 57.618 58.100 0.047 0.000 1.389 734 Y CB 0.938 39.411 38.460 0.021 0.000 1.328 734 Y HN -0.248 nan 8.280 nan 0.000 0.532 735 K N 1.569 122.153 120.400 0.308 0.000 2.207 735 K HA 0.356 4.677 4.320 0.001 0.000 0.255 735 K C -1.607 175.183 176.600 0.316 0.000 0.941 735 K CA -0.683 55.763 56.287 0.265 0.000 0.825 735 K CB 1.875 34.503 32.500 0.213 0.000 1.119 735 K HN 0.552 nan 8.250 nan 0.000 0.430 736 F N 2.042 122.086 119.950 0.157 0.000 2.495 736 F HA 0.530 5.057 4.527 0.001 0.000 0.327 736 F C -0.383 175.492 175.800 0.124 0.000 1.103 736 F CA -0.736 57.346 58.000 0.138 0.000 0.949 736 F CB 1.499 40.601 39.000 0.169 0.000 1.142 736 F HN 0.465 nan 8.300 nan 0.000 0.457 737 R N 6.689 126.664 120.500 -0.876 0.000 2.566 737 R HA 0.482 4.823 4.340 0.001 0.000 0.271 737 R C -2.208 173.242 176.300 -1.416 0.000 1.071 737 R CA -0.719 54.802 56.100 -0.965 0.000 0.915 737 R CB 1.446 31.379 30.300 -0.612 0.000 1.228 737 R HN 0.631 nan 8.270 nan 0.000 0.449 738 I N 4.094 123.480 120.570 -1.972 0.000 2.306 738 I HA 0.187 4.358 4.170 0.001 0.000 0.288 738 I C -0.262 175.280 176.117 -0.959 0.000 1.036 738 I CA -0.343 60.107 61.300 -1.417 0.000 1.221 738 I CB 1.161 38.158 38.000 -1.672 0.000 1.385 738 I HN 0.599 nan 8.210 nan 0.000 0.472 739 Q N 6.769 126.253 119.800 -0.527 0.000 2.303 739 Q HA 0.397 4.737 4.340 0.001 0.000 0.257 739 Q C -0.796 175.111 176.000 -0.155 0.000 0.941 739 Q CA -0.371 55.269 55.803 -0.272 0.000 0.931 739 Q CB 0.985 29.651 28.738 -0.119 0.000 1.215 739 Q HN 0.364 nan 8.270 nan 0.000 0.437 740 I N 3.859 124.374 120.570 -0.091 0.000 2.395 740 I HA 0.166 4.337 4.170 0.001 0.000 0.289 740 I C 0.241 176.351 176.117 -0.012 0.000 1.023 740 I CA -0.296 60.981 61.300 -0.039 0.000 1.350 740 I CB 0.827 38.826 38.000 -0.002 0.000 1.409 740 I HN 0.667 nan 8.210 nan 0.000 0.507 741 N N 4.892 123.586 118.700 -0.010 0.000 2.645 741 N HA 0.033 4.774 4.740 0.001 0.000 0.233 741 N C 1.166 176.651 175.510 -0.042 0.000 1.058 741 N CA -0.097 52.937 53.050 -0.027 0.000 0.942 741 N CB 0.688 39.159 38.487 -0.026 0.000 1.210 741 N HN 0.694 nan 8.380 nan 0.000 0.512 742 T N 0.531 115.067 114.554 -0.029 0.000 2.929 742 T HA -0.067 4.284 4.350 0.001 0.000 0.271 742 T C 1.744 176.416 174.700 -0.047 0.000 1.085 742 T CA 0.779 62.864 62.100 -0.025 0.000 1.125 742 T CB -0.064 68.803 68.868 -0.002 0.000 0.874 742 T HN 0.406 nan 8.240 nan 0.000 0.494 743 L N 0.253 121.429 121.223 -0.078 0.000 2.307 743 L HA 0.163 4.504 4.340 0.001 0.000 0.211 743 L C 2.003 178.785 176.870 -0.147 0.000 1.099 743 L CA 0.832 55.615 54.840 -0.095 0.000 0.816 743 L CB -0.212 41.787 42.059 -0.100 0.000 0.952 743 L HN 0.190 nan 8.230 nan 0.000 0.455 744 D N -0.803 119.468 120.400 -0.215 0.000 2.367 744 D HA 0.009 4.650 4.640 0.001 0.000 0.207 744 D C 0.712 176.955 176.300 -0.096 0.000 1.034 744 D CA 0.126 53.975 54.000 -0.252 0.000 0.861 744 D CB 0.230 40.651 40.800 -0.632 0.000 0.943 744 D HN 0.199 nan 8.370 nan 0.000 0.515 745 C N 1.254 120.509 119.300 -0.074 0.000 2.679 745 C HA 0.061 4.522 4.460 0.001 0.000 0.417 745 C C 1.612 176.534 174.990 -0.113 0.000 1.302 745 C CA -0.105 58.882 59.018 -0.053 0.000 1.973 745 C CB -0.141 27.582 27.740 -0.029 0.000 2.715 745 C HN 0.183 nan 8.230 nan 0.000 0.628 746 M N 3.741 123.243 119.600 -0.164 0.000 2.333 746 M HA 0.208 4.688 4.480 0.001 0.000 0.257 746 M C 1.715 177.956 176.300 -0.098 0.000 1.078 746 M CA 1.066 56.240 55.300 -0.210 0.000 1.005 746 M CB -0.738 31.587 32.600 -0.458 0.000 1.444 746 M HN 1.191 nan 8.290 nan 0.000 0.496 747 G N 0.958 109.725 108.800 -0.055 0.000 2.143 747 G HA2 -0.328 3.633 3.960 0.001 0.000 0.248 747 G HA3 -0.328 3.633 3.960 0.001 0.000 0.248 747 G C 1.094 175.988 174.900 -0.010 0.000 0.991 747 G CA 0.601 45.688 45.100 -0.022 0.000 0.689 747 G HN 0.620 nan 8.290 nan 0.000 0.522 748 C N -1.424 117.871 119.300 -0.009 0.000 2.429 748 C HA 0.431 4.892 4.460 0.001 0.000 0.277 748 C C 2.711 177.708 174.990 0.013 0.000 1.262 748 C CA 1.617 60.639 59.018 0.007 0.000 1.733 748 C CB -0.911 26.841 27.740 0.020 0.000 2.010 748 C HN 2.476 nan 8.230 nan 0.000 0.483 749 G N 0.852 109.661 108.800 0.015 0.000 2.157 749 G HA2 -0.295 3.665 3.960 0.001 0.000 0.239 749 G HA3 -0.295 3.665 3.960 0.001 0.000 0.239 749 G C 0.443 175.356 174.900 0.023 0.000 0.982 749 G CA 0.626 45.738 45.100 0.020 0.000 0.650 749 G HN 0.605 nan 8.290 nan 0.000 0.527 750 N N -0.084 118.629 118.700 0.021 0.000 2.104 750 N HA -0.144 4.597 4.740 0.001 0.000 0.190 750 N C 2.697 178.222 175.510 0.025 0.000 1.024 750 N CA 2.520 55.583 53.050 0.021 0.000 0.853 750 N CB -0.451 38.043 38.487 0.012 0.000 1.008 750 N HN 0.939 nan 8.380 nan 0.000 0.424 751 C N -0.022 119.294 119.300 0.028 0.000 2.413 751 C HA 0.063 4.523 4.460 0.001 0.000 0.277 751 C C 2.731 177.748 174.990 0.044 0.000 1.228 751 C CA 0.509 59.549 59.018 0.035 0.000 1.731 751 C CB -1.420 26.340 27.740 0.035 0.000 2.042 751 C HN 0.379 nan 8.230 nan 0.000 0.468 752 A N 1.113 123.960 122.820 0.045 0.000 1.972 752 A HA -0.172 4.148 4.320 0.001 0.000 0.219 752 A C 1.902 179.510 177.584 0.039 0.000 1.169 752 A CA 2.236 54.302 52.037 0.049 0.000 0.635 752 A CB -0.927 18.100 19.000 0.045 0.000 0.810 752 A HN 0.680 nan 8.150 nan 0.000 0.446 753 D N -1.114 119.306 120.400 0.032 0.000 2.224 753 D HA -0.072 4.569 4.640 0.001 0.000 0.205 753 D C 1.404 177.720 176.300 0.027 0.000 0.965 753 D CA 0.853 54.870 54.000 0.028 0.000 0.852 753 D CB -0.047 40.769 40.800 0.027 0.000 0.947 753 D HN 0.296 nan 8.370 nan 0.000 0.494 754 I N 0.054 120.641 120.570 0.028 0.000 3.228 754 I HA 0.091 4.262 4.170 0.001 0.000 0.279 754 I C 0.357 176.488 176.117 0.023 0.000 1.221 754 I CA -0.042 61.271 61.300 0.022 0.000 1.458 754 I CB -0.157 37.854 38.000 0.019 0.000 1.105 754 I HN 0.095 nan 8.210 nan 0.000 0.445 755 C N 4.052 123.375 119.300 0.038 0.000 2.409 755 C HA -0.055 4.406 4.460 0.001 0.000 0.399 755 C C -0.387 174.623 174.990 0.033 0.000 1.505 755 C CA -0.961 58.086 59.018 0.049 0.000 1.435 755 C CB -0.300 27.484 27.740 0.072 0.000 2.462 755 C HN 0.291 nan 8.230 nan 0.000 0.619 756 P HA -0.092 nan 4.420 nan 0.000 0.216 756 P C -1.687 175.620 177.300 0.012 0.000 1.167 756 P CA 1.444 64.550 63.100 0.010 0.000 0.914 756 P CB -1.087 30.614 31.700 0.001 0.000 0.793 757 P HA -0.034 nan 4.420 nan 0.000 0.265 757 P C 0.454 177.760 177.300 0.010 0.000 1.193 757 P CA 0.574 63.681 63.100 0.013 0.000 0.765 757 P CB 0.845 32.555 31.700 0.016 0.000 0.823 758 K N 1.122 121.525 120.400 0.005 0.000 2.032 758 K HA -0.111 4.210 4.320 0.001 0.000 0.209 758 K C 0.653 177.255 176.600 0.003 0.000 1.048 758 K CA 1.192 57.482 56.287 0.004 0.000 0.927 758 K CB 0.026 32.527 32.500 0.001 0.000 0.712 758 K HN 0.527 nan 8.250 nan 0.000 0.441 759 E N 2.546 122.746 120.200 -0.001 0.000 1.861 759 E HA 0.046 4.397 4.350 0.001 0.000 0.263 759 E C -0.543 176.056 176.600 -0.003 0.000 1.137 759 E CA 0.006 56.403 56.400 -0.006 0.000 0.944 759 E CB 0.407 30.099 29.700 -0.014 0.000 1.092 759 E HN 0.041 nan 8.360 nan 0.000 0.420 760 K N 0.758 121.162 120.400 0.006 0.000 2.586 760 K HA -0.060 4.261 4.320 0.001 0.000 0.280 760 K C 0.782 177.391 176.600 0.016 0.000 0.972 760 K CA 0.175 56.474 56.287 0.020 0.000 1.040 760 K CB 0.571 33.087 32.500 0.026 0.000 0.870 760 K HN 0.413 nan 8.250 nan 0.000 0.497 761 A N 3.661 126.511 122.820 0.050 0.000 2.308 761 A HA 0.204 4.524 4.320 0.001 0.000 0.217 761 A C 0.327 177.998 177.584 0.145 0.000 1.216 761 A CA 0.116 52.184 52.037 0.052 0.000 0.864 761 A CB 0.212 19.295 19.000 0.138 0.000 0.902 761 A HN 0.528 nan 8.150 nan 0.000 0.499 762 L N 0.377 121.676 121.223 0.126 0.000 2.476 762 L HA 0.515 4.855 4.340 0.001 0.000 0.269 762 L C -1.517 175.399 176.870 0.078 0.000 0.965 762 L CA -0.635 54.288 54.840 0.139 0.000 0.845 762 L CB 2.485 44.632 42.059 0.147 0.000 1.259 762 L HN -0.106 nan 8.230 nan 0.000 0.403 763 V N 3.799 123.753 119.914 0.067 0.000 2.577 763 V HA 0.440 4.561 4.120 0.001 0.000 0.303 763 V C 0.094 176.213 176.094 0.042 0.000 1.042 763 V CA -0.664 61.662 62.300 0.043 0.000 0.872 763 V CB 2.154 33.994 31.823 0.027 0.000 0.998 763 V HN 0.630 nan 8.190 nan 0.000 0.423 764 M N 4.857 124.476 119.600 0.033 0.000 2.238 764 M HA 0.392 4.873 4.480 0.001 0.000 0.350 764 M C -0.230 176.084 176.300 0.024 0.000 1.321 764 M CA 0.468 55.785 55.300 0.028 0.000 1.097 764 M CB 0.349 32.962 32.600 0.022 0.000 1.713 764 M HN 0.612 nan 8.290 nan 0.000 0.455 765 Q N 2.898 122.712 119.800 0.024 0.000 2.421 765 Q HA 0.571 4.912 4.340 0.001 0.000 0.280 765 Q C -2.527 173.485 176.000 0.020 0.000 1.085 765 Q CA -1.960 53.856 55.803 0.022 0.000 0.807 765 Q CB 1.605 30.358 28.738 0.025 0.000 1.405 765 Q HN 0.328 nan 8.270 nan 0.000 0.419 766 P HA -0.045 nan 4.420 nan 0.000 0.266 766 P C 0.813 178.124 177.300 0.020 0.000 1.195 766 P CA -0.128 62.982 63.100 0.017 0.000 0.768 766 P CB 0.517 32.227 31.700 0.016 0.000 0.838 767 L N 3.661 124.895 121.223 0.018 0.000 2.043 767 L HA -0.208 4.133 4.340 0.001 0.000 0.212 767 L C 1.453 178.339 176.870 0.025 0.000 1.075 767 L CA 2.080 56.932 54.840 0.019 0.000 0.752 767 L CB -1.143 40.926 42.059 0.016 0.000 0.891 767 L HN 0.316 nan 8.230 nan 0.000 0.432 768 D N -0.960 119.457 120.400 0.029 0.000 2.309 768 D HA -0.144 4.497 4.640 0.001 0.000 0.212 768 D C 1.937 178.258 176.300 0.034 0.000 0.968 768 D CA 1.629 55.651 54.000 0.036 0.000 0.882 768 D CB 0.003 40.828 40.800 0.041 0.000 0.918 768 D HN 0.641 nan 8.370 nan 0.000 0.503 769 T N -2.781 111.791 114.554 0.030 0.000 3.081 769 T HA 0.039 4.390 4.350 0.001 0.000 0.250 769 T C 1.531 176.249 174.700 0.031 0.000 1.100 769 T CA 0.282 62.399 62.100 0.029 0.000 1.038 769 T CB 0.458 69.342 68.868 0.026 0.000 0.962 769 T HN -0.084 nan 8.240 nan 0.000 0.516 770 Q N 0.971 120.790 119.800 0.031 0.000 2.431 770 Q HA 0.212 4.552 4.340 0.001 0.000 0.244 770 Q C 2.525 178.545 176.000 0.034 0.000 0.880 770 Q CA 0.472 56.296 55.803 0.034 0.000 0.954 770 Q CB -0.022 28.736 28.738 0.034 0.000 1.105 770 Q HN 0.734 nan 8.270 nan 0.000 0.558 771 R N 1.233 121.751 120.500 0.030 0.000 2.091 771 R HA -0.144 4.197 4.340 0.001 0.000 0.238 771 R C 1.032 177.350 176.300 0.031 0.000 1.136 771 R CA 1.771 57.888 56.100 0.027 0.000 0.959 771 R CB -0.491 29.824 30.300 0.025 0.000 0.856 771 R HN 0.004 nan 8.270 nan 0.000 0.437 772 D N 1.217 121.636 120.400 0.032 0.000 2.123 772 D HA -0.146 4.495 4.640 0.001 0.000 0.196 772 D C 1.951 178.272 176.300 0.035 0.000 0.992 772 D CA 1.969 55.987 54.000 0.031 0.000 0.833 772 D CB -0.154 40.664 40.800 0.030 0.000 0.954 772 D HN 0.506 nan 8.370 nan 0.000 0.455 773 A N 0.532 123.377 122.820 0.040 0.000 1.878 773 A HA -0.090 4.231 4.320 0.001 0.000 0.213 773 A C 2.079 179.703 177.584 0.066 0.000 1.192 773 A CA 0.764 52.831 52.037 0.050 0.000 0.619 773 A CB -0.132 18.899 19.000 0.051 0.000 0.837 773 A HN 0.001 nan 8.150 nan 0.000 0.446 774 Q N -0.098 119.739 119.800 0.062 0.000 2.245 774 Q HA 0.005 4.346 4.340 0.001 0.000 0.201 774 Q C 2.198 178.236 176.000 0.064 0.000 0.955 774 Q CA 1.051 56.896 55.803 0.070 0.000 0.870 774 Q CB -0.814 27.956 28.738 0.054 0.000 0.945 774 Q HN 0.433 nan 8.270 nan 0.000 0.461 775 V N 2.634 122.575 119.914 0.044 0.000 2.255 775 V HA -0.189 3.932 4.120 0.001 0.000 0.247 775 V C -0.607 175.517 176.094 0.048 0.000 1.051 775 V CA 2.283 64.602 62.300 0.032 0.000 1.018 775 V CB -1.619 30.215 31.823 0.020 0.000 0.641 775 V HN 0.269 nan 8.190 nan 0.000 0.445 776 P HA -0.129 nan 4.420 nan 0.000 0.221 776 P C 1.092 178.453 177.300 0.102 0.000 1.150 776 P CA 1.434 64.570 63.100 0.060 0.000 0.800 776 P CB -0.227 31.496 31.700 0.039 0.000 0.787 777 N N -0.229 118.558 118.700 0.146 0.000 2.216 777 N HA -0.066 4.674 4.740 0.001 0.000 0.183 777 N C 1.910 177.599 175.510 0.299 0.000 1.017 777 N CA 0.146 53.367 53.050 0.284 0.000 0.861 777 N CB -0.365 38.319 38.487 0.328 0.000 0.986 777 N HN 0.027 nan 8.380 nan 0.000 0.428 778 L N 2.116 123.442 121.223 0.172 0.000 2.017 778 L HA -0.148 4.193 4.340 0.001 0.000 0.208 778 L C 1.835 178.763 176.870 0.097 0.000 1.073 778 L CA 1.881 56.793 54.840 0.120 0.000 0.745 778 L CB -0.714 41.374 42.059 0.048 0.000 0.894 778 L HN 0.179 nan 8.230 nan 0.000 0.432 779 E N -0.411 119.837 120.200 0.079 0.000 2.049 779 E HA -0.310 4.040 4.350 0.001 0.000 0.198 779 E C 2.042 178.671 176.600 0.049 0.000 1.007 779 E CA 1.770 58.202 56.400 0.054 0.000 0.809 779 E CB -0.920 28.812 29.700 0.054 0.000 0.749 779 E HN 0.611 nan 8.360 nan 0.000 0.450 780 Y N 1.347 121.610 120.300 -0.063 0.000 2.145 780 Y HA -0.191 4.360 4.550 0.001 0.000 0.286 780 Y C 2.407 178.217 175.900 -0.150 0.000 1.145 780 Y CA 1.786 59.788 58.100 -0.163 0.000 1.148 780 Y CB -0.515 37.743 38.460 -0.337 0.000 0.981 780 Y HN 0.031 nan 8.280 nan 0.000 0.507 781 A N 0.483 123.315 122.820 0.020 0.000 1.933 781 A HA -0.128 4.192 4.320 0.001 0.000 0.218 781 A C 2.339 179.905 177.584 -0.030 0.000 1.175 781 A CA 1.780 53.867 52.037 0.083 0.000 0.628 781 A CB -1.512 17.698 19.000 0.349 0.000 0.814 781 A HN 0.601 nan 8.150 nan 0.000 0.444 782 A N -0.806 122.003 122.820 -0.018 0.000 2.178 782 A HA -0.085 4.236 4.320 0.001 0.000 0.218 782 A C 2.047 179.589 177.584 -0.070 0.000 1.157 782 A CA 1.282 53.304 52.037 -0.025 0.000 0.689 782 A CB -0.362 18.637 19.000 -0.001 0.000 0.787 782 A HN 0.546 nan 8.150 nan 0.000 0.465 783 R N -0.972 119.438 120.500 -0.149 0.000 2.362 783 R HA 0.333 4.674 4.340 0.001 0.000 0.227 783 R C -0.433 175.745 176.300 -0.202 0.000 0.905 783 R CA -0.155 55.842 56.100 -0.172 0.000 1.067 783 R CB 0.235 30.409 30.300 -0.211 0.000 1.078 783 R HN 0.432 nan 8.270 nan 0.000 0.516 784 I N 2.747 123.193 120.570 -0.206 0.000 2.371 784 I HA 0.172 4.343 4.170 0.001 0.000 0.290 784 I C -2.046 174.023 176.117 -0.079 0.000 1.028 784 I CA -2.274 58.931 61.300 -0.158 0.000 1.345 784 I CB 0.965 38.892 38.000 -0.121 0.000 1.407 784 I HN -0.291 nan 8.210 nan 0.000 0.501 785 P HA -0.021 nan 4.420 nan 0.000 0.261 785 P C -0.536 176.742 177.300 -0.036 0.000 1.183 785 P CA -0.082 62.995 63.100 -0.038 0.000 0.761 785 P CB 0.253 31.938 31.700 -0.025 0.000 0.785 786 V N 5.588 125.485 119.914 -0.028 0.000 2.479 786 V HA 0.010 4.131 4.120 0.001 0.000 0.281 786 V C 1.057 177.125 176.094 -0.044 0.000 1.031 786 V CA 0.117 62.405 62.300 -0.021 0.000 1.038 786 V CB 0.104 31.928 31.823 0.002 0.000 0.981 786 V HN 0.402 nan 8.190 nan 0.000 0.478 787 K N 3.891 124.224 120.400 -0.112 0.000 2.155 787 K HA 0.124 4.445 4.320 0.001 0.000 0.240 787 K C 1.269 177.805 176.600 -0.106 0.000 1.193 787 K CA 0.147 56.331 56.287 -0.172 0.000 1.104 787 K CB 0.262 32.522 32.500 -0.400 0.000 1.558 787 K HN 0.839 nan 8.250 nan 0.000 0.313 788 S N -0.080 115.604 115.700 -0.027 0.000 2.603 788 S HA 0.011 4.481 4.470 0.001 0.000 0.220 788 S C 0.781 175.387 174.600 0.010 0.000 0.967 788 S CA 0.221 58.431 58.200 0.017 0.000 0.920 788 S CB 0.160 63.369 63.200 0.014 0.000 0.773 788 S HN 0.300 nan 8.310 nan 0.000 0.529 789 E N 0.783 120.974 120.200 -0.015 0.000 2.498 789 E HA 0.244 4.595 4.350 0.001 0.000 0.203 789 E C 1.581 178.175 176.600 -0.009 0.000 1.013 789 E CA 0.119 56.517 56.400 -0.003 0.000 0.927 789 E CB 0.253 29.954 29.700 0.002 0.000 1.012 789 E HN 0.441 nan 8.360 nan 0.000 0.482 790 V N 0.615 120.498 119.914 -0.051 0.000 2.488 790 V HA -0.007 4.114 4.120 0.001 0.000 0.246 790 V C 1.282 177.376 176.094 0.000 0.000 1.046 790 V CA 1.138 63.400 62.300 -0.065 0.000 1.053 790 V CB -0.062 31.616 31.823 -0.241 0.000 0.679 790 V HN 0.099 nan 8.190 nan 0.000 0.458 791 L N -1.096 120.157 121.223 0.050 0.000 2.309 791 L HA 0.497 4.838 4.340 0.001 0.000 0.261 791 L C -2.611 174.298 176.870 0.065 0.000 1.021 791 L CA -2.065 52.824 54.840 0.082 0.000 0.823 791 L CB 1.690 43.844 42.059 0.158 0.000 1.366 791 L HN -0.067 nan 8.230 nan 0.000 0.423 792 P HA 0.053 nan 4.420 nan 0.000 0.264 792 P C 0.054 177.368 177.300 0.024 0.000 1.183 792 P CA 0.065 63.183 63.100 0.031 0.000 0.763 792 P CB 0.607 32.322 31.700 0.025 0.000 0.807 793 R N 2.996 123.500 120.500 0.008 0.000 2.115 793 R HA -0.138 4.203 4.340 0.001 0.000 0.230 793 R C 0.737 177.007 176.300 -0.050 0.000 1.111 793 R CA 1.696 57.784 56.100 -0.021 0.000 0.976 793 R CB -0.120 30.156 30.300 -0.041 0.000 0.870 793 R HN 0.532 nan 8.270 nan 0.000 0.445 794 D N -0.134 120.242 120.400 -0.039 0.000 2.395 794 D HA -0.016 4.625 4.640 0.001 0.000 0.226 794 D C -0.253 176.044 176.300 -0.005 0.000 1.146 794 D CA -0.222 53.751 54.000 -0.045 0.000 0.830 794 D CB 0.194 40.973 40.800 -0.035 0.000 0.958 794 D HN 0.118 nan 8.370 nan 0.000 0.501 795 S N -0.902 114.800 115.700 0.003 0.000 2.617 795 S HA 0.308 4.779 4.470 0.001 0.000 0.283 795 S C 1.236 175.838 174.600 0.004 0.000 1.189 795 S CA -0.946 57.255 58.200 0.002 0.000 1.036 795 S CB 1.997 65.197 63.200 0.000 0.000 1.014 795 S HN 0.146 nan 8.310 nan 0.000 0.522 796 L N 1.337 122.538 121.223 -0.037 0.000 1.951 796 L HA -0.190 4.151 4.340 0.001 0.000 0.222 796 L C 2.760 179.587 176.870 -0.072 0.000 1.078 796 L CA 2.083 56.864 54.840 -0.098 0.000 0.778 796 L CB -0.493 41.439 42.059 -0.213 0.000 0.893 796 L HN 0.983 nan 8.230 nan 0.000 0.436 797 K N -0.793 119.530 120.400 -0.127 0.000 2.057 797 K HA -0.153 4.167 4.320 0.001 0.000 0.207 797 K C 1.882 178.289 176.600 -0.322 0.000 1.049 797 K CA 1.378 57.525 56.287 -0.233 0.000 0.931 797 K CB -0.371 32.019 32.500 -0.183 0.000 0.714 797 K HN 0.549 nan 8.250 nan 0.000 0.440 798 G N 0.529 109.265 108.800 -0.107 0.000 2.440 798 G HA2 -0.304 3.657 3.960 0.001 0.000 0.218 798 G HA3 -0.304 3.657 3.960 0.001 0.000 0.218 798 G C 1.501 176.389 174.900 -0.020 0.000 1.154 798 G CA 1.253 46.356 45.100 0.005 0.000 0.767 798 G HN 0.507 nan 8.290 nan 0.000 0.552 799 S N 0.066 115.753 115.700 -0.022 0.000 2.400 799 S HA -0.135 4.336 4.470 0.001 0.000 0.232 799 S C 1.967 176.532 174.600 -0.058 0.000 1.025 799 S CA 1.476 59.663 58.200 -0.021 0.000 0.993 799 S CB -0.214 63.016 63.200 0.050 0.000 0.808 799 S HN 0.322 nan 8.310 nan 0.000 0.478 800 Q N -0.035 119.692 119.800 -0.122 0.000 2.444 800 Q HA 0.316 4.657 4.340 0.001 0.000 0.206 800 Q C 0.419 176.346 176.000 -0.121 0.000 0.948 800 Q CA 0.302 56.009 55.803 -0.160 0.000 0.946 800 Q CB -0.456 28.172 28.738 -0.183 0.000 1.027 800 Q HN 0.803 nan 8.270 nan 0.000 0.513 801 F N 0.373 120.320 119.950 -0.005 0.000 2.647 801 F HA 0.175 4.703 4.527 0.002 0.000 0.300 801 F C 0.743 176.518 175.800 -0.042 0.000 1.106 801 F CA -0.547 57.439 58.000 -0.023 0.000 1.313 801 F CB 0.851 39.834 39.000 -0.029 0.000 1.007 801 F HN -0.111 nan 8.300 nan 0.000 0.536 802 Q N 0.659 120.517 119.800 0.096 0.000 2.297 802 Q HA 0.268 4.609 4.340 0.001 0.000 0.268 802 Q C -0.362 175.631 176.000 -0.011 0.000 1.045 802 Q CA -0.558 55.258 55.803 0.021 0.000 0.861 802 Q CB 1.541 30.259 28.738 -0.032 0.000 1.344 802 Q HN 0.291 nan 8.270 nan 0.000 0.452 803 E N 3.254 123.438 120.200 -0.028 0.000 2.217 803 E HA 0.166 4.517 4.350 0.001 0.000 0.279 803 E C -2.080 174.472 176.600 -0.080 0.000 1.068 803 E CA -1.522 54.850 56.400 -0.047 0.000 0.882 803 E CB 0.653 30.330 29.700 -0.038 0.000 1.039 803 E HN 0.165 nan 8.360 nan 0.000 0.418 804 P HA 0.059 nan 4.420 nan 0.000 0.282 804 P C -0.137 177.067 177.300 -0.160 0.000 1.262 804 P CA 0.038 63.044 63.100 -0.156 0.000 0.773 804 P CB 0.736 32.318 31.700 -0.197 0.000 0.879 805 L N 3.333 124.481 121.223 -0.125 0.000 2.928 805 L HA 0.382 4.722 4.340 0.001 0.000 0.246 805 L C 0.760 177.556 176.870 -0.123 0.000 1.239 805 L CA 0.245 55.033 54.840 -0.086 0.000 1.035 805 L CB -0.077 41.985 42.059 0.004 0.000 1.360 805 L HN 0.380 nan 8.230 nan 0.000 0.529 806 M N 1.547 120.979 119.600 -0.280 0.000 2.284 806 M HA 0.378 4.859 4.480 0.001 0.000 0.229 806 M C -1.727 174.278 176.300 -0.493 0.000 0.984 806 M CA 0.154 55.169 55.300 -0.475 0.000 1.016 806 M CB 1.627 33.864 32.600 -0.604 0.000 2.379 806 M HN 0.140 nan 8.290 nan 0.000 0.459 807 E N 3.867 123.724 120.200 -0.572 0.000 2.367 807 E HA 0.591 4.941 4.350 0.001 0.000 0.273 807 E C -0.822 175.373 176.600 -0.674 0.000 0.903 807 E CA -0.911 54.967 56.400 -0.871 0.000 0.764 807 E CB 1.807 30.550 29.700 -1.595 0.000 1.252 807 E HN 0.638 nan 8.360 nan 0.000 0.446 808 F N 0.140 120.046 119.950 -0.074 0.000 3.027 808 F HA -0.272 4.256 4.527 0.001 0.000 0.276 808 F C 0.761 176.591 175.800 0.051 0.000 0.967 808 F CA 0.129 58.145 58.000 0.028 0.000 0.929 808 F CB -1.841 37.156 39.000 -0.004 0.000 0.873 808 F HN 0.372 nan 8.300 nan 0.000 0.787 809 S N 0.369 116.122 115.700 0.088 0.000 2.634 809 S HA 0.584 5.054 4.470 0.001 0.000 0.261 809 S C 1.274 176.000 174.600 0.210 0.000 1.271 809 S CA -0.214 58.040 58.200 0.089 0.000 0.985 809 S CB 1.681 64.854 63.200 -0.045 0.000 0.968 809 S HN 0.485 nan 8.310 nan 0.000 0.568 810 G N -0.519 108.421 108.800 0.233 0.000 3.262 810 G HA2 0.471 4.431 3.960 0.001 0.000 0.228 810 G HA3 0.471 4.431 3.960 0.001 0.000 0.228 810 G C 0.464 175.516 174.900 0.254 0.000 1.197 810 G CA 0.023 45.268 45.100 0.242 0.000 0.819 810 G HN 1.093 nan 8.290 nan 0.000 0.531 811 A N -0.454 122.482 122.820 0.193 0.000 2.406 811 A HA 0.422 4.743 4.320 0.001 0.000 0.243 811 A C 0.925 178.624 177.584 0.192 0.000 1.082 811 A CA -0.297 51.789 52.037 0.082 0.000 0.786 811 A CB 0.038 18.760 19.000 -0.464 0.000 1.029 811 A HN 0.375 nan 8.150 nan 0.000 0.495 812 C N 0.612 119.992 119.300 0.133 0.000 2.727 812 C HA 0.326 4.787 4.460 0.001 0.000 0.401 812 C C 1.558 176.643 174.990 0.158 0.000 1.294 812 C CA -0.103 58.988 59.018 0.121 0.000 2.134 812 C CB -0.191 27.598 27.740 0.080 0.000 2.724 812 C HN 0.912 nan 8.230 nan 0.000 0.677 813 S N 0.863 116.609 115.700 0.077 0.000 2.515 813 S HA 0.403 4.874 4.470 0.001 0.000 0.285 813 S C 1.175 175.815 174.600 0.068 0.000 1.265 813 S CA 0.799 59.024 58.200 0.041 0.000 1.079 813 S CB -0.422 62.764 63.200 -0.023 0.000 0.877 813 S HN 1.935 nan 8.310 nan 0.000 0.493 814 G N 3.120 111.977 108.800 0.094 0.000 2.157 814 G HA2 -0.272 3.688 3.960 0.001 0.000 0.248 814 G HA3 -0.272 3.688 3.960 0.001 0.000 0.248 814 G C 0.633 175.538 174.900 0.008 0.000 0.979 814 G CA -0.112 45.013 45.100 0.042 0.000 0.650 814 G HN 1.194 nan 8.290 nan 0.000 0.529 815 C N 1.422 120.723 119.300 0.001 0.000 2.378 815 C HA 0.414 4.875 4.460 0.001 0.000 0.395 815 C C 2.228 177.168 174.990 -0.083 0.000 1.476 815 C CA 1.310 60.293 59.018 -0.058 0.000 1.541 815 C CB -0.146 27.498 27.740 -0.160 0.000 2.524 815 C HN 1.132 nan 8.230 nan 0.000 0.595 816 G N 3.351 112.127 108.800 -0.039 0.000 2.813 816 G HA2 0.010 3.971 3.960 0.001 0.000 0.209 816 G HA3 0.010 3.971 3.960 0.001 0.000 0.209 816 G C 1.289 176.235 174.900 0.078 0.000 1.150 816 G CA 0.362 45.454 45.100 -0.014 0.000 0.785 816 G HN 0.917 nan 8.290 nan 0.000 0.535 817 E N 0.418 120.654 120.200 0.059 0.000 2.102 817 E HA -0.077 4.273 4.350 0.001 0.000 0.190 817 E C 2.785 179.430 176.600 0.074 0.000 0.971 817 E CA 1.263 57.778 56.400 0.192 0.000 0.821 817 E CB -0.205 29.684 29.700 0.316 0.000 0.777 817 E HN 0.467 nan 8.360 nan 0.000 0.460 818 T N -0.182 114.185 114.554 -0.311 0.000 2.833 818 T HA -0.068 4.283 4.350 0.001 0.000 0.269 818 T C -1.113 173.386 174.700 -0.335 0.000 1.054 818 T CA 0.590 62.371 62.100 -0.531 0.000 1.135 818 T CB -1.280 67.041 68.868 -0.912 0.000 0.869 818 T HN -0.022 nan 8.240 nan 0.000 0.466 819 P HA -0.017 nan 4.420 nan 0.000 0.216 819 P C 0.901 178.023 177.300 -0.298 0.000 1.153 819 P CA 0.968 63.865 63.100 -0.338 0.000 0.848 819 P CB -0.230 31.233 31.700 -0.394 0.000 0.787 820 Y N -0.857 119.360 120.300 -0.137 0.000 2.097 820 Y HA -0.196 4.354 4.550 0.001 0.000 0.282 820 Y C 2.392 178.244 175.900 -0.078 0.000 1.152 820 Y CA 0.849 58.904 58.100 -0.073 0.000 1.136 820 Y CB -1.419 37.114 38.460 0.122 0.000 0.975 820 Y HN -0.262 nan 8.280 nan 0.000 0.498 821 V N 0.298 120.264 119.914 0.085 0.000 2.343 821 V HA -0.332 3.789 4.120 0.001 0.000 0.247 821 V C 2.401 178.476 176.094 -0.031 0.000 1.051 821 V CA 2.172 64.485 62.300 0.022 0.000 1.036 821 V CB -0.682 31.268 31.823 0.213 0.000 0.654 821 V HN 0.339 nan 8.190 nan 0.000 0.451 822 R N 0.014 120.432 120.500 -0.138 0.000 2.083 822 R HA -0.175 4.166 4.340 0.001 0.000 0.237 822 R C 2.377 178.555 176.300 -0.204 0.000 1.137 822 R CA 2.084 58.062 56.100 -0.203 0.000 0.951 822 R CB -0.570 29.562 30.300 -0.280 0.000 0.851 822 R HN 0.408 nan 8.270 nan 0.000 0.434 823 V N 0.752 120.526 119.914 -0.234 0.000 2.427 823 V HA -0.168 3.953 4.120 0.001 0.000 0.248 823 V C 2.054 178.006 176.094 -0.236 0.000 1.051 823 V CA 1.774 63.904 62.300 -0.284 0.000 1.048 823 V CB -0.252 31.351 31.823 -0.367 0.000 0.666 823 V HN 0.397 nan 8.190 nan 0.000 0.456 824 I N 1.420 121.885 120.570 -0.175 0.000 2.208 824 I HA -0.228 3.943 4.170 0.001 0.000 0.245 824 I C 2.719 178.723 176.117 -0.190 0.000 1.097 824 I CA 2.172 63.333 61.300 -0.232 0.000 1.363 824 I CB -0.739 37.081 38.000 -0.301 0.000 1.051 824 I HN 0.588 nan 8.210 nan 0.000 0.413 825 T N -1.962 112.531 114.554 -0.102 0.000 2.962 825 T HA -0.183 4.168 4.350 0.001 0.000 0.270 825 T C 1.674 176.304 174.700 -0.118 0.000 1.088 825 T CA 0.925 62.994 62.100 -0.051 0.000 1.127 825 T CB -0.295 68.581 68.868 0.014 0.000 0.883 825 T HN 0.414 nan 8.240 nan 0.000 0.493 826 Q N -0.202 119.489 119.800 -0.183 0.000 2.435 826 Q HA 0.208 4.549 4.340 0.001 0.000 0.207 826 Q C 1.541 177.391 176.000 -0.250 0.000 0.956 826 Q CA 0.540 56.232 55.803 -0.185 0.000 0.917 826 Q CB -0.034 28.590 28.738 -0.189 0.000 0.997 826 Q HN 0.405 nan 8.270 nan 0.000 0.497 827 L N -2.361 118.605 121.223 -0.427 0.000 2.500 827 L HA 0.132 4.473 4.340 0.001 0.000 0.219 827 L C 0.727 177.110 176.870 -0.811 0.000 1.057 827 L CA 1.161 55.550 54.840 -0.751 0.000 0.854 827 L CB 0.513 41.824 42.059 -1.247 0.000 1.078 827 L HN 0.127 nan 8.230 nan 0.000 0.480 828 F N -2.695 117.236 119.950 -0.032 0.000 2.856 828 F HA 0.333 4.861 4.527 0.001 0.000 0.338 828 F C 2.056 177.857 175.800 0.002 0.000 1.100 828 F CA 0.172 58.184 58.000 0.019 0.000 1.150 828 F CB -0.583 38.463 39.000 0.078 0.000 1.101 828 F HN -0.085 nan 8.300 nan 0.000 0.548 829 G N 1.688 110.540 108.800 0.088 0.000 2.606 829 G HA2 -0.363 3.597 3.960 0.001 0.000 0.221 829 G HA3 -0.363 3.597 3.960 0.001 0.000 0.221 829 G C 1.642 176.579 174.900 0.062 0.000 1.152 829 G CA 1.719 46.858 45.100 0.066 0.000 0.765 829 G HN 0.454 nan 8.290 nan 0.000 0.595 830 E N 1.396 121.630 120.200 0.058 0.000 2.409 830 E HA -0.157 4.193 4.350 0.001 0.000 0.198 830 E C 1.800 178.427 176.600 0.045 0.000 1.024 830 E CA 0.992 57.416 56.400 0.041 0.000 0.861 830 E CB -0.217 29.506 29.700 0.039 0.000 0.788 830 E HN 0.732 nan 8.360 nan 0.000 0.521 831 R N 0.599 121.153 120.500 0.089 0.000 2.615 831 R HA 0.335 4.676 4.340 0.001 0.000 0.448 831 R C 0.572 176.943 176.300 0.118 0.000 1.009 831 R CA -0.318 55.837 56.100 0.092 0.000 1.111 831 R CB -0.269 30.119 30.300 0.147 0.000 1.461 831 R HN 0.088 nan 8.270 nan 0.000 0.587 832 M N -0.546 119.103 119.600 0.082 0.000 2.472 832 M HA 0.563 5.044 4.480 0.001 0.000 0.331 832 M C -1.470 174.826 176.300 -0.007 0.000 1.170 832 M CA -0.682 54.709 55.300 0.151 0.000 1.009 832 M CB 1.416 34.122 32.600 0.177 0.000 1.672 832 M HN -0.203 nan 8.290 nan 0.000 0.453 833 F N 2.138 122.112 119.950 0.040 0.000 2.450 833 F HA 0.680 5.207 4.527 0.001 0.000 0.332 833 F C -0.366 175.355 175.800 -0.131 0.000 1.093 833 F CA -0.568 57.393 58.000 -0.064 0.000 1.003 833 F CB 1.808 40.752 39.000 -0.094 0.000 1.151 833 F HN 0.479 nan 8.300 nan 0.000 0.474 834 I N 2.681 123.186 120.570 -0.107 0.000 2.447 834 I HA 0.493 4.663 4.170 0.001 0.000 0.287 834 I C -0.755 175.073 176.117 -0.482 0.000 1.023 834 I CA -0.810 60.258 61.300 -0.386 0.000 1.083 834 I CB 1.817 39.453 38.000 -0.607 0.000 1.245 834 I HN 0.648 nan 8.210 nan 0.000 0.434 835 A N 5.947 128.539 122.820 -0.379 0.000 2.273 835 A HA 0.444 4.765 4.320 0.001 0.000 0.320 835 A C -0.562 176.830 177.584 -0.319 0.000 1.358 835 A CA -0.516 51.352 52.037 -0.281 0.000 0.910 835 A CB 0.228 19.131 19.000 -0.161 0.000 1.159 835 A HN 0.694 nan 8.150 nan 0.000 0.526 836 N N 2.079 120.472 118.700 -0.512 0.000 2.419 836 N HA 0.507 5.248 4.740 0.001 0.000 0.277 836 N C 0.015 175.320 175.510 -0.341 0.000 1.006 836 N CA 0.011 52.803 53.050 -0.432 0.000 0.923 836 N CB 1.781 39.902 38.487 -0.609 0.000 1.140 836 N HN 0.694 nan 8.380 nan 0.000 0.488 837 A N 2.592 125.194 122.820 -0.363 0.000 2.407 837 A HA 0.264 4.584 4.320 0.001 0.000 0.248 837 A C 0.443 177.985 177.584 -0.070 0.000 1.082 837 A CA -0.062 51.790 52.037 -0.308 0.000 0.785 837 A CB -0.009 18.610 19.000 -0.634 0.000 1.020 837 A HN 0.637 nan 8.150 nan 0.000 0.489 838 T N 1.168 115.752 114.554 0.050 0.000 2.940 838 T HA 0.508 4.859 4.350 0.001 0.000 0.309 838 T C 0.730 175.337 174.700 -0.154 0.000 1.056 838 T CA 1.027 63.099 62.100 -0.048 0.000 1.137 838 T CB 0.566 69.391 68.868 -0.073 0.000 0.976 838 T HN 1.745 nan 8.240 nan 0.000 0.547 839 G N 0.233 108.926 108.800 -0.179 0.000 2.345 839 G HA2 0.092 4.052 3.960 0.001 0.000 0.285 839 G HA3 0.092 4.052 3.960 0.001 0.000 0.285 839 G C 0.801 175.629 174.900 -0.121 0.000 1.297 839 G CA -0.267 44.726 45.100 -0.179 0.000 0.875 839 G HN 0.667 nan 8.290 nan 0.000 0.506 840 C N 0.502 119.771 119.300 -0.052 0.000 2.403 840 C HA -0.051 4.410 4.460 0.001 0.000 0.277 840 C C 3.381 178.145 174.990 -0.377 0.000 1.248 840 C CA 2.714 61.722 59.018 -0.016 0.000 1.762 840 C CB -1.307 26.546 27.740 0.188 0.000 2.014 840 C HN 1.042 nan 8.230 nan 0.000 0.486 841 S N 0.878 116.331 115.700 -0.411 0.000 2.447 841 S HA -0.123 4.348 4.470 0.001 0.000 0.233 841 S C 1.663 175.798 174.600 -0.776 0.000 1.006 841 S CA 1.577 59.162 58.200 -1.025 0.000 0.957 841 S CB -0.563 62.474 63.200 -0.272 0.000 0.773 841 S HN 0.795 nan 8.310 nan 0.000 0.507 842 S N 1.014 116.556 115.700 -0.265 0.000 2.478 842 S HA 0.214 4.685 4.470 0.001 0.000 0.222 842 S C 1.687 176.249 174.600 -0.062 0.000 1.008 842 S CA -0.002 58.236 58.200 0.062 0.000 0.928 842 S CB -0.402 62.867 63.200 0.115 0.000 0.781 842 S HN 0.382 nan 8.310 nan 0.000 0.518 843 I N 2.081 122.553 120.570 -0.164 0.000 2.339 843 I HA 0.044 4.214 4.170 0.001 0.000 0.245 843 I C 2.554 178.685 176.117 0.023 0.000 1.096 843 I CA 0.685 61.952 61.300 -0.055 0.000 1.408 843 I CB -1.631 36.361 38.000 -0.012 0.000 1.092 843 I HN 0.640 nan 8.210 nan 0.000 0.423 844 W N 1.015 122.354 121.300 0.065 0.000 2.584 844 W HA 0.192 4.853 4.660 0.002 0.000 0.264 844 W C 1.793 178.311 176.519 -0.003 0.000 1.264 844 W CA 0.689 58.056 57.345 0.036 0.000 1.306 844 W CB -1.292 28.186 29.460 0.031 0.000 1.110 844 W HN 0.100 nan 8.180 nan 0.000 0.606 845 G N 1.161 109.902 108.800 -0.098 0.000 2.430 845 G HA2 0.160 4.121 3.960 0.001 0.000 0.216 845 G HA3 0.160 4.121 3.960 0.001 0.000 0.216 845 G C 1.051 175.710 174.900 -0.402 0.000 1.146 845 G CA 1.094 46.105 45.100 -0.149 0.000 0.793 845 G HN 0.316 nan 8.290 nan 0.000 0.537 846 A N -0.194 122.423 122.820 -0.338 0.000 2.958 846 A HA 0.585 4.906 4.320 0.001 0.000 0.214 846 A C 0.122 177.613 177.584 -0.154 0.000 0.902 846 A CA -0.254 51.581 52.037 -0.336 0.000 1.136 846 A CB 0.090 18.743 19.000 -0.580 0.000 1.250 846 A HN 0.033 nan 8.150 nan 0.000 0.497 847 S N 1.916 117.571 115.700 -0.075 0.000 2.422 847 S HA 0.507 4.978 4.470 0.001 0.000 0.283 847 S C 0.869 175.419 174.600 -0.083 0.000 1.163 847 S CA 0.163 58.337 58.200 -0.043 0.000 1.054 847 S CB 0.672 63.889 63.200 0.028 0.000 0.967 847 S HN 1.098 nan 8.310 nan 0.000 0.499 848 A N 5.511 128.219 122.820 -0.186 0.000 2.561 848 A HA 0.241 4.562 4.320 0.001 0.000 0.234 848 A C -0.958 176.600 177.584 -0.043 0.000 1.055 848 A CA -0.633 51.225 52.037 -0.298 0.000 0.756 848 A CB -0.086 18.669 19.000 -0.409 0.000 0.986 848 A HN 0.635 nan 8.150 nan 0.000 0.505 849 P HA 0.107 nan 4.420 nan 0.000 0.266 849 P C 0.068 177.501 177.300 0.221 0.000 1.381 849 P CA 0.057 63.252 63.100 0.159 0.000 0.940 849 P CB 0.317 32.214 31.700 0.327 0.000 1.435 850 S N 1.466 117.251 115.700 0.141 0.000 2.416 850 S HA 0.440 4.911 4.470 0.001 0.000 0.287 850 S C 0.130 174.801 174.600 0.119 0.000 1.139 850 S CA -0.470 57.840 58.200 0.184 0.000 1.058 850 S CB -0.387 62.919 63.200 0.176 0.000 0.967 850 S HN -0.092 nan 8.310 nan 0.000 0.495 851 M N 8.285 127.983 119.600 0.163 0.000 2.036 851 M HA 0.318 4.799 4.480 0.001 0.000 0.337 851 M C -1.857 174.492 176.300 0.081 0.000 1.012 851 M CA -2.679 52.678 55.300 0.095 0.000 0.962 851 M CB 1.171 33.855 32.600 0.141 0.000 1.423 851 M HN 0.397 nan 8.290 nan 0.000 0.405 852 P HA -0.103 nan 4.420 nan 0.000 0.220 852 P C 0.035 177.232 177.300 -0.173 0.000 1.152 852 P CA 1.021 64.070 63.100 -0.085 0.000 0.812 852 P CB 0.101 31.728 31.700 -0.121 0.000 0.792 853 Y N 2.051 122.297 120.300 -0.090 0.000 2.497 853 Y HA 0.086 4.637 4.550 0.001 0.000 0.334 853 Y C 1.596 177.460 175.900 -0.061 0.000 1.199 853 Y CA 0.429 58.484 58.100 -0.076 0.000 1.425 853 Y CB 0.373 38.778 38.460 -0.091 0.000 1.291 853 Y HN 0.047 nan 8.280 nan 0.000 0.562 854 K N -0.739 119.706 120.400 0.077 0.000 2.469 854 K HA 0.709 5.030 4.320 0.001 0.000 0.268 854 K C -1.027 175.589 176.600 0.028 0.000 1.027 854 K CA -1.129 55.174 56.287 0.027 0.000 0.893 854 K CB 1.404 33.876 32.500 -0.046 0.000 1.460 854 K HN 0.504 nan 8.250 nan 0.000 0.449 855 T N -1.081 113.481 114.554 0.013 0.000 2.902 855 T HA 0.287 4.638 4.350 0.001 0.000 0.280 855 T C 0.216 174.913 174.700 -0.006 0.000 0.992 855 T CA -0.760 61.345 62.100 0.007 0.000 1.015 855 T CB 0.619 69.491 68.868 0.007 0.000 1.044 855 T HN 0.730 nan 8.240 nan 0.000 0.520 856 N N 0.556 119.252 118.700 -0.006 0.000 2.431 856 N HA 0.180 4.921 4.740 0.001 0.000 0.289 856 N C 1.340 176.846 175.510 -0.006 0.000 1.277 856 N CA -1.037 52.007 53.050 -0.011 0.000 0.972 856 N CB 0.227 38.709 38.487 -0.008 0.000 1.143 856 N HN 0.814 nan 8.380 nan 0.000 0.578 857 R N -0.874 119.622 120.500 -0.007 0.000 2.241 857 R HA 0.010 4.351 4.340 0.001 0.000 0.224 857 R C 0.857 177.156 176.300 -0.000 0.000 1.101 857 R CA 1.140 57.238 56.100 -0.004 0.000 0.995 857 R CB -0.812 29.485 30.300 -0.006 0.000 0.870 857 R HN 0.502 nan 8.270 nan 0.000 0.463 858 L N 0.597 121.821 121.223 0.000 0.000 2.628 858 L HA 0.310 4.650 4.340 0.001 0.000 0.229 858 L C 0.864 177.734 176.870 -0.001 0.000 1.137 858 L CA 0.357 55.198 54.840 0.001 0.000 0.909 858 L CB 0.433 42.494 42.059 0.004 0.000 1.137 858 L HN 0.570 nan 8.230 nan 0.000 0.470 859 G N 0.066 108.866 108.800 -0.000 0.000 2.148 859 G HA2 -0.274 3.686 3.960 0.001 0.000 0.254 859 G HA3 -0.274 3.686 3.960 0.001 0.000 0.254 859 G C 0.148 175.043 174.900 -0.008 0.000 0.981 859 G CA -0.044 45.055 45.100 -0.002 0.000 0.670 859 G HN 0.467 nan 8.290 nan 0.000 0.528 860 Q N -0.430 119.366 119.800 -0.006 0.000 2.214 860 Q HA 0.661 5.002 4.340 0.001 0.000 0.251 860 Q C 0.463 176.459 176.000 -0.007 0.000 0.936 860 Q CA -0.019 55.777 55.803 -0.012 0.000 0.894 860 Q CB 2.050 30.786 28.738 -0.003 0.000 1.252 860 Q HN 0.905 nan 8.270 nan 0.000 0.448 861 G N 1.007 109.797 108.800 -0.016 0.000 2.451 861 G HA2 0.359 4.319 3.960 0.001 0.000 0.292 861 G HA3 0.359 4.319 3.960 0.001 0.000 0.292 861 G C -3.102 171.787 174.900 -0.018 0.000 1.427 861 G CA -1.032 44.070 45.100 0.004 0.000 0.792 861 G HN 0.303 nan 8.290 nan 0.000 0.498 862 P HA 0.405 nan 4.420 nan 0.000 0.267 862 P C -0.082 177.175 177.300 -0.072 0.000 1.209 862 P CA 0.230 63.313 63.100 -0.028 0.000 0.763 862 P CB 1.047 32.768 31.700 0.036 0.000 0.816 863 A N 4.133 126.849 122.820 -0.173 0.000 2.343 863 A HA 0.273 4.593 4.320 0.001 0.000 0.305 863 A C -0.896 176.662 177.584 -0.044 0.000 1.308 863 A CA -0.379 51.565 52.037 -0.155 0.000 0.949 863 A CB -0.492 18.269 19.000 -0.399 0.000 1.148 863 A HN 0.631 nan 8.150 nan 0.000 0.545 864 W N 2.681 123.864 121.300 -0.195 0.000 2.520 864 W HA 0.594 5.255 4.660 0.001 0.000 0.323 864 W C 0.239 176.715 176.519 -0.071 0.000 1.062 864 W CA 0.224 57.435 57.345 -0.223 0.000 1.215 864 W CB 1.904 31.119 29.460 -0.409 0.000 1.340 864 W HN 0.882 nan 8.180 nan 0.000 0.516 865 G N 3.473 112.030 108.800 -0.404 0.000 2.733 865 G HA2 0.310 4.270 3.960 0.001 0.000 0.297 865 G HA3 0.310 4.270 3.960 0.001 0.000 0.297 865 G C -2.209 172.348 174.900 -0.571 0.000 1.422 865 G CA -0.993 43.994 45.100 -0.189 0.000 0.942 865 G HN 0.452 nan 8.290 nan 0.000 0.510 866 N N 0.477 118.963 118.700 -0.357 0.000 2.442 866 N HA 0.494 5.235 4.740 0.001 0.000 0.274 866 N C 0.637 175.943 175.510 -0.339 0.000 1.002 866 N CA -0.154 52.674 53.050 -0.371 0.000 0.910 866 N CB 2.388 40.775 38.487 -0.166 0.000 1.244 866 N HN 0.332 nan 8.380 nan 0.000 0.492 867 S N 3.375 118.714 115.700 -0.602 0.000 2.339 867 S HA 0.489 4.959 4.470 0.001 0.000 0.189 867 S C 0.251 174.660 174.600 -0.318 0.000 0.966 867 S CA 0.309 58.090 58.200 -0.698 0.000 0.925 867 S CB -0.165 62.319 63.200 -1.192 0.000 0.890 867 S HN 0.494 nan 8.310 nan 0.000 0.539 868 L N -0.920 120.163 121.223 -0.234 0.000 2.251 868 L HA 0.496 4.837 4.340 0.001 0.000 0.244 868 L C 0.426 177.330 176.870 0.057 0.000 1.095 868 L CA -0.724 54.078 54.840 -0.063 0.000 0.910 868 L CB 0.717 42.752 42.059 -0.039 0.000 1.516 868 L HN 0.351 nan 8.230 nan 0.000 0.429 869 F N 1.333 121.259 119.950 -0.040 0.000 2.187 869 F HA -0.056 4.472 4.527 0.001 0.000 0.295 869 F C 2.233 178.123 175.800 0.149 0.000 1.091 869 F CA 1.517 59.531 58.000 0.023 0.000 1.308 869 F CB -0.039 38.986 39.000 0.042 0.000 1.030 869 F HN 0.636 nan 8.300 nan 0.000 0.487 870 E N 0.034 120.258 120.200 0.041 0.000 2.435 870 E HA -0.114 4.236 4.350 0.001 0.000 0.195 870 E C 0.408 177.067 176.600 0.098 0.000 1.029 870 E CA 1.145 57.523 56.400 -0.037 0.000 0.865 870 E CB -0.717 28.933 29.700 -0.084 0.000 0.833 870 E HN 0.566 nan 8.360 nan 0.000 0.510 871 D N 0.194 120.656 120.400 0.103 0.000 2.501 871 D HA 0.264 4.904 4.640 0.001 0.000 0.224 871 D C 1.366 177.765 176.300 0.166 0.000 1.202 871 D CA 0.325 54.396 54.000 0.118 0.000 0.829 871 D CB 0.443 41.261 40.800 0.031 0.000 1.023 871 D HN 0.104 nan 8.370 nan 0.000 0.499 872 A N 1.147 124.054 122.820 0.146 0.000 1.917 872 A HA -0.052 4.269 4.320 0.001 0.000 0.219 872 A C 2.382 180.073 177.584 0.178 0.000 1.182 872 A CA 2.344 54.371 52.037 -0.017 0.000 0.633 872 A CB -0.858 17.739 19.000 -0.671 0.000 0.819 872 A HN 0.401 nan 8.150 nan 0.000 0.448 873 A N 0.519 123.598 122.820 0.432 0.000 1.877 873 A HA -0.165 4.156 4.320 0.001 0.000 0.216 873 A C 1.952 179.690 177.584 0.257 0.000 1.186 873 A CA 1.720 53.986 52.037 0.383 0.000 0.620 873 A CB -0.532 18.720 19.000 0.419 0.000 0.822 873 A HN 0.675 nan 8.150 nan 0.000 0.443 874 E N -1.085 119.248 120.200 0.222 0.000 2.150 874 E HA -0.230 4.120 4.350 0.001 0.000 0.193 874 E C 1.873 178.641 176.600 0.280 0.000 0.985 874 E CA 1.434 57.964 56.400 0.216 0.000 0.814 874 E CB -0.710 29.065 29.700 0.126 0.000 0.752 874 E HN 0.705 nan 8.360 nan 0.000 0.466 875 Y N 2.577 122.925 120.300 0.080 0.000 2.163 875 Y HA 0.005 4.555 4.550 0.001 0.000 0.288 875 Y C 2.572 178.479 175.900 0.012 0.000 1.136 875 Y CA 1.679 59.792 58.100 0.022 0.000 1.147 875 Y CB -0.803 37.636 38.460 -0.035 0.000 0.987 875 Y HN 0.063 nan 8.280 nan 0.000 0.509 876 G N -0.738 108.076 108.800 0.022 0.000 2.422 876 G HA2 -0.319 3.642 3.960 0.001 0.000 0.218 876 G HA3 -0.319 3.642 3.960 0.001 0.000 0.218 876 G C 1.695 176.571 174.900 -0.039 0.000 1.146 876 G CA 0.756 45.795 45.100 -0.101 0.000 0.769 876 G HN 0.476 nan 8.290 nan 0.000 0.547 877 F N 2.494 122.408 119.950 -0.060 0.000 2.161 877 F HA 0.003 4.530 4.527 0.001 0.000 0.300 877 F C 2.528 178.276 175.800 -0.087 0.000 1.089 877 F CA 1.496 59.462 58.000 -0.058 0.000 1.282 877 F CB -0.444 38.555 39.000 -0.002 0.000 1.010 877 F HN 0.112 nan 8.300 nan 0.000 0.485 878 G N 0.028 108.802 108.800 -0.043 0.000 2.408 878 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 878 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 878 G C 1.686 176.436 174.900 -0.249 0.000 1.150 878 G CA 0.894 45.911 45.100 -0.138 0.000 0.776 878 G HN 0.380 nan 8.290 nan 0.000 0.542 879 M N 0.513 119.925 119.600 -0.315 0.000 2.080 879 M HA -0.098 4.382 4.480 0.001 0.000 0.260 879 M C 2.441 178.451 176.300 -0.483 0.000 1.068 879 M CA 1.328 56.358 55.300 -0.449 0.000 1.109 879 M CB -0.440 31.817 32.600 -0.572 0.000 1.342 879 M HN 0.281 nan 8.290 nan 0.000 0.405 880 N N 0.618 119.065 118.700 -0.423 0.000 2.166 880 N HA -0.136 4.604 4.740 0.001 0.000 0.186 880 N C 1.636 176.956 175.510 -0.316 0.000 1.019 880 N CA 1.317 54.147 53.050 -0.367 0.000 0.856 880 N CB 0.001 38.296 38.487 -0.320 0.000 0.993 880 N HN 0.381 nan 8.380 nan 0.000 0.426 881 M N -0.029 119.325 119.600 -0.409 0.000 2.159 881 M HA -0.124 4.357 4.480 0.001 0.000 0.263 881 M C 2.491 178.726 176.300 -0.109 0.000 1.063 881 M CA 1.171 56.290 55.300 -0.302 0.000 1.110 881 M CB -0.294 32.090 32.600 -0.359 0.000 1.374 881 M HN 0.112 nan 8.290 nan 0.000 0.411 882 S N 0.320 115.931 115.700 -0.149 0.000 2.355 882 S HA -0.128 4.343 4.470 0.001 0.000 0.222 882 S C 1.989 176.551 174.600 -0.063 0.000 1.031 882 S CA 1.110 59.256 58.200 -0.090 0.000 0.993 882 S CB 0.011 63.142 63.200 -0.114 0.000 0.859 882 S HN 0.297 nan 8.310 nan 0.000 0.453 883 M N 0.383 119.909 119.600 -0.123 0.000 2.108 883 M HA -0.018 4.463 4.480 0.001 0.000 0.261 883 M C 1.973 178.271 176.300 -0.005 0.000 1.066 883 M CA 1.306 56.564 55.300 -0.069 0.000 1.107 883 M CB -1.596 30.922 32.600 -0.135 0.000 1.356 883 M HN 0.532 nan 8.290 nan 0.000 0.406 884 F N 1.109 120.989 119.950 -0.116 0.000 2.069 884 F HA -0.178 4.349 4.527 0.001 0.000 0.298 884 F C 2.352 178.129 175.800 -0.037 0.000 1.113 884 F CA 1.963 59.914 58.000 -0.083 0.000 1.214 884 F CB -0.432 38.492 39.000 -0.127 0.000 0.978 884 F HN 0.125 nan 8.300 nan 0.000 0.474 885 A N 0.663 123.503 122.820 0.033 0.000 1.877 885 A HA -0.174 4.147 4.320 0.001 0.000 0.216 885 A C 2.318 179.875 177.584 -0.045 0.000 1.186 885 A CA 1.809 53.831 52.037 -0.024 0.000 0.620 885 A CB -0.722 18.312 19.000 0.057 0.000 0.822 885 A HN 0.483 nan 8.150 nan 0.000 0.443 886 R N -0.836 119.663 120.500 -0.000 0.000 2.090 886 R HA -0.003 4.338 4.340 0.001 0.000 0.228 886 R C 2.335 178.662 176.300 0.045 0.000 1.110 886 R CA 1.268 57.399 56.100 0.050 0.000 0.973 886 R CB -0.243 30.081 30.300 0.040 0.000 0.869 886 R HN 0.451 nan 8.270 nan 0.000 0.440 887 R N -0.292 120.214 120.500 0.010 0.000 2.193 887 R HA 0.010 4.350 4.340 0.001 0.000 0.213 887 R C 1.881 178.208 176.300 0.045 0.000 1.055 887 R CA 1.168 57.317 56.100 0.081 0.000 0.995 887 R CB -0.059 30.306 30.300 0.108 0.000 0.893 887 R HN 0.143 nan 8.270 nan 0.000 0.459 888 T N -0.382 114.087 114.554 -0.141 0.000 2.857 888 T HA -0.150 4.201 4.350 0.001 0.000 0.266 888 T C 1.542 176.248 174.700 0.009 0.000 1.048 888 T CA 1.091 63.080 62.100 -0.186 0.000 1.139 888 T CB -0.196 68.402 68.868 -0.451 0.000 0.874 888 T HN 0.461 nan 8.240 nan 0.000 0.455 889 H N 0.226 119.248 119.070 -0.079 0.000 2.321 889 H HA -0.065 4.491 4.556 0.001 0.000 0.300 889 H C 2.346 177.665 175.328 -0.016 0.000 1.087 889 H CA 1.088 57.111 56.048 -0.041 0.000 1.319 889 H CB -0.108 29.631 29.762 -0.037 0.000 1.379 889 H HN 0.157 nan 8.280 nan 0.000 0.501 890 L N 1.202 122.452 121.223 0.044 0.000 2.012 890 L HA -0.137 4.204 4.340 0.001 0.000 0.210 890 L C 2.537 179.424 176.870 0.028 0.000 1.073 890 L CA 2.040 56.842 54.840 -0.064 0.000 0.748 890 L CB -1.116 40.892 42.059 -0.085 0.000 0.891 890 L HN 0.368 nan 8.230 nan 0.000 0.431 891 A N -0.913 122.034 122.820 0.211 0.000 1.933 891 A HA -0.272 4.049 4.320 0.001 0.000 0.218 891 A C 2.077 179.746 177.584 0.142 0.000 1.175 891 A CA 1.838 54.060 52.037 0.308 0.000 0.628 891 A CB -0.981 18.157 19.000 0.230 0.000 0.814 891 A HN 0.613 nan 8.150 nan 0.000 0.444 892 D N -0.085 120.375 120.400 0.101 0.000 2.097 892 D HA -0.108 4.533 4.640 0.001 0.000 0.197 892 D C 1.834 178.172 176.300 0.064 0.000 0.984 892 D CA 1.261 55.307 54.000 0.076 0.000 0.826 892 D CB -0.227 40.627 40.800 0.090 0.000 0.973 892 D HN 0.418 nan 8.370 nan 0.000 0.460 893 L N 0.013 121.271 121.223 0.058 0.000 2.083 893 L HA -0.078 4.262 4.340 0.001 0.000 0.209 893 L C 2.618 179.481 176.870 -0.012 0.000 1.083 893 L CA 1.067 55.913 54.840 0.009 0.000 0.752 893 L CB -0.558 41.469 42.059 -0.053 0.000 0.899 893 L HN 0.059 nan 8.230 nan 0.000 0.433 894 A N 0.192 123.005 122.820 -0.012 0.000 1.902 894 A HA -0.164 4.157 4.320 0.001 0.000 0.217 894 A C 2.557 180.152 177.584 0.019 0.000 1.181 894 A CA 1.733 53.763 52.037 -0.011 0.000 0.623 894 A CB -0.654 18.372 19.000 0.044 0.000 0.818 894 A HN 0.395 nan 8.150 nan 0.000 0.443 895 A N -0.149 122.694 122.820 0.038 0.000 1.902 895 A HA -0.160 4.160 4.320 0.001 0.000 0.217 895 A C 2.121 179.712 177.584 0.012 0.000 1.181 895 A CA 1.774 53.827 52.037 0.025 0.000 0.623 895 A CB -0.424 18.592 19.000 0.027 0.000 0.818 895 A HN 0.537 nan 8.150 nan 0.000 0.443 896 K N -0.337 120.070 120.400 0.011 0.000 2.057 896 K HA -0.050 4.270 4.320 0.001 0.000 0.207 896 K C 2.280 178.879 176.600 -0.001 0.000 1.049 896 K CA 1.049 57.339 56.287 0.006 0.000 0.931 896 K CB -0.337 32.169 32.500 0.010 0.000 0.714 896 K HN 0.436 nan 8.250 nan 0.000 0.440 897 A N 1.613 124.429 122.820 -0.007 0.000 1.978 897 A HA -0.135 4.186 4.320 0.001 0.000 0.220 897 A C 2.060 179.638 177.584 -0.011 0.000 1.170 897 A CA 1.199 53.228 52.037 -0.014 0.000 0.636 897 A CB -0.641 18.343 19.000 -0.027 0.000 0.810 897 A HN 0.184 nan 8.150 nan 0.000 0.448 898 L N -0.806 120.413 121.223 -0.007 0.000 2.265 898 L HA -0.171 4.170 4.340 0.001 0.000 0.215 898 L C 1.937 178.804 176.870 -0.006 0.000 1.117 898 L CA 1.310 56.147 54.840 -0.007 0.000 0.782 898 L CB -0.395 41.661 42.059 -0.005 0.000 0.914 898 L HN 0.504 nan 8.230 nan 0.000 0.441 899 E N -0.842 119.356 120.200 -0.004 0.000 2.474 899 E HA 0.020 4.371 4.350 0.001 0.000 0.195 899 E C 1.006 177.604 176.600 -0.004 0.000 1.039 899 E CA -0.008 56.389 56.400 -0.004 0.000 0.881 899 E CB 0.416 30.114 29.700 -0.003 0.000 0.970 899 E HN 0.439 nan 8.360 nan 0.000 0.486 900 S N 1.126 116.823 115.700 -0.005 0.000 2.666 900 S HA 0.051 4.522 4.470 0.001 0.000 0.279 900 S C 0.739 175.336 174.600 -0.005 0.000 1.149 900 S CA -0.503 57.694 58.200 -0.005 0.000 1.020 900 S CB 0.746 63.942 63.200 -0.007 0.000 1.127 900 S HN 0.083 nan 8.310 nan 0.000 0.537 901 D N -0.095 120.302 120.400 -0.005 0.000 2.370 901 D HA 0.304 4.945 4.640 0.001 0.000 0.230 901 D C 0.639 176.936 176.300 -0.004 0.000 1.143 901 D CA -0.285 53.712 54.000 -0.004 0.000 0.834 901 D CB -0.805 39.993 40.800 -0.003 0.000 0.944 901 D HN 0.689 nan 8.370 nan 0.000 0.504 902 A N 0.747 123.563 122.820 -0.006 0.000 2.448 902 A HA 0.399 4.720 4.320 0.001 0.000 0.239 902 A C 0.938 178.520 177.584 -0.004 0.000 1.080 902 A CA -0.071 51.962 52.037 -0.007 0.000 0.779 902 A CB 0.115 19.108 19.000 -0.011 0.000 1.026 902 A HN 0.439 nan 8.150 nan 0.000 0.499 903 S N 0.971 116.669 115.700 -0.003 0.000 2.580 903 S HA 0.323 4.794 4.470 0.001 0.000 0.266 903 S C 1.392 175.994 174.600 0.003 0.000 1.354 903 S CA -0.101 58.099 58.200 0.001 0.000 1.008 903 S CB 0.704 63.905 63.200 0.002 0.000 0.898 903 S HN 1.452 nan 8.310 nan 0.000 0.555 904 G N 0.645 109.448 108.800 0.005 0.000 2.422 904 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 904 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 904 G C 0.919 175.828 174.900 0.014 0.000 1.146 904 G CA 0.822 45.927 45.100 0.008 0.000 0.769 904 G HN 0.760 nan 8.290 nan 0.000 0.547 905 D N 0.151 120.560 120.400 0.015 0.000 2.117 905 D HA -0.081 4.559 4.640 0.001 0.000 0.197 905 D C 2.778 179.092 176.300 0.024 0.000 0.987 905 D CA 0.665 54.679 54.000 0.023 0.000 0.829 905 D CB -0.422 40.390 40.800 0.019 0.000 0.961 905 D HN 0.198 nan 8.370 nan 0.000 0.460 906 V N 1.120 121.040 119.914 0.011 0.000 2.295 906 V HA -0.223 3.898 4.120 0.001 0.000 0.246 906 V C 2.308 178.401 176.094 -0.001 0.000 1.049 906 V CA 1.537 63.838 62.300 0.001 0.000 1.024 906 V CB -0.324 31.494 31.823 -0.009 0.000 0.648 906 V HN 0.191 nan 8.190 nan 0.000 0.447 907 K N -0.203 120.197 120.400 -0.000 0.000 2.097 907 K HA -0.205 4.116 4.320 0.001 0.000 0.206 907 K C 2.131 178.731 176.600 -0.001 0.000 1.049 907 K CA 1.647 57.932 56.287 -0.004 0.000 0.933 907 K CB -0.205 32.292 32.500 -0.004 0.000 0.717 907 K HN 0.565 nan 8.250 nan 0.000 0.442 908 E N 0.565 120.774 120.200 0.016 0.000 2.077 908 E HA -0.178 4.173 4.350 0.001 0.000 0.193 908 E C 2.078 178.705 176.600 0.045 0.000 0.989 908 E CA 1.052 57.468 56.400 0.028 0.000 0.800 908 E CB -0.087 29.647 29.700 0.058 0.000 0.746 908 E HN 0.326 nan 8.360 nan 0.000 0.452 909 A N 1.133 124.006 122.820 0.090 0.000 1.898 909 A HA -0.140 4.181 4.320 0.001 0.000 0.216 909 A C 2.190 179.812 177.584 0.063 0.000 1.181 909 A CA 0.948 53.091 52.037 0.178 0.000 0.620 909 A CB -0.603 18.473 19.000 0.126 0.000 0.819 909 A HN 0.120 nan 8.150 nan 0.000 0.442 910 L N -0.697 120.529 121.223 0.005 0.000 2.046 910 L HA -0.271 4.070 4.340 0.001 0.000 0.208 910 L C 2.914 179.791 176.870 0.012 0.000 1.077 910 L CA 1.653 56.497 54.840 0.005 0.000 0.747 910 L CB -0.603 41.444 42.059 -0.020 0.000 0.896 910 L HN 0.499 nan 8.230 nan 0.000 0.432 911 Q N -0.436 119.329 119.800 -0.059 0.000 2.079 911 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 911 Q C 2.334 178.177 176.000 -0.263 0.000 0.974 911 Q CA 1.388 57.126 55.803 -0.109 0.000 0.840 911 Q CB -0.410 28.271 28.738 -0.095 0.000 0.898 911 Q HN 0.613 nan 8.270 nan 0.000 0.430 912 G N 0.253 108.747 108.800 -0.510 0.000 2.418 912 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 912 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 912 G C 0.991 175.359 174.900 -0.887 0.000 1.158 912 G CA 0.557 44.863 45.100 -1.323 0.000 0.771 912 G HN 0.455 nan 8.290 nan 0.000 0.545 913 W N 1.160 122.155 121.300 -0.508 0.000 2.355 913 W HA 0.040 4.701 4.660 0.001 0.000 0.309 913 W C 2.332 178.754 176.519 -0.162 0.000 1.206 913 W CA 1.152 58.383 57.345 -0.190 0.000 1.284 913 W CB -0.330 29.039 29.460 -0.153 0.000 1.145 913 W HN 0.115 nan 8.180 nan 0.000 0.502 914 L N 0.538 121.717 121.223 -0.073 0.000 2.079 914 L HA -0.220 4.121 4.340 0.001 0.000 0.210 914 L C 2.654 179.332 176.870 -0.321 0.000 1.081 914 L CA 1.513 56.222 54.840 -0.218 0.000 0.752 914 L CB -1.222 40.827 42.059 -0.016 0.000 0.896 914 L HN 0.125 nan 8.230 nan 0.000 0.433 915 A N -0.536 122.119 122.820 -0.276 0.000 2.014 915 A HA 0.005 4.326 4.320 0.001 0.000 0.218 915 A C 1.889 179.332 177.584 -0.234 0.000 1.163 915 A CA 1.485 53.384 52.037 -0.229 0.000 0.652 915 A CB -0.506 18.372 19.000 -0.203 0.000 0.808 915 A HN 0.435 nan 8.150 nan 0.000 0.449 916 G N -0.249 108.376 108.800 -0.293 0.000 3.993 916 G HA2 0.263 4.224 3.960 0.001 0.000 0.294 916 G HA3 0.263 4.224 3.960 0.001 0.000 0.294 916 G C 0.892 175.581 174.900 -0.352 0.000 1.043 916 G CA 0.437 45.405 45.100 -0.220 0.000 0.839 916 G HN 0.610 nan 8.290 nan 0.000 0.516 917 K N -0.349 119.665 120.400 -0.643 0.000 2.281 917 K HA -0.022 4.299 4.320 0.001 0.000 0.203 917 K C 0.961 177.314 176.600 -0.413 0.000 1.046 917 K CA 0.964 56.693 56.287 -0.931 0.000 0.938 917 K CB 0.054 31.667 32.500 -1.477 0.000 0.737 917 K HN 0.061 nan 8.250 nan 0.000 0.458 918 N N 1.076 119.619 118.700 -0.262 0.000 2.214 918 N HA 0.012 4.753 4.740 0.001 0.000 0.214 918 N C -1.041 174.425 175.510 -0.072 0.000 1.132 918 N CA 0.130 53.101 53.050 -0.130 0.000 0.856 918 N CB 0.442 38.862 38.487 -0.111 0.000 1.020 918 N HN 0.318 nan 8.380 nan 0.000 0.509 919 D N 0.663 121.020 120.400 -0.072 0.000 2.280 919 D HA 0.204 4.844 4.640 0.001 0.000 0.236 919 D C -1.859 174.458 176.300 0.029 0.000 1.082 919 D CA -1.957 52.035 54.000 -0.014 0.000 0.834 919 D CB 2.611 43.404 40.800 -0.012 0.000 1.100 919 D HN -0.112 nan 8.370 nan 0.000 0.486 920 P HA -0.144 nan 4.420 nan 0.000 0.216 920 P C 1.582 178.943 177.300 0.101 0.000 1.150 920 P CA 0.785 63.944 63.100 0.099 0.000 0.843 920 P CB 0.406 32.181 31.700 0.126 0.000 0.787 921 I N -0.943 119.677 120.570 0.085 0.000 2.206 921 I HA -0.129 4.042 4.170 0.001 0.000 0.239 921 I C 2.012 178.179 176.117 0.084 0.000 1.078 921 I CA 1.564 62.911 61.300 0.077 0.000 1.367 921 I CB -1.497 36.541 38.000 0.064 0.000 1.078 921 I HN -0.057 nan 8.210 nan 0.000 0.413 922 K N 1.440 121.897 120.400 0.095 0.000 2.097 922 K HA -0.092 4.229 4.320 0.001 0.000 0.206 922 K C 2.272 179.005 176.600 0.223 0.000 1.049 922 K CA 1.642 58.030 56.287 0.168 0.000 0.933 922 K CB -0.768 31.833 32.500 0.168 0.000 0.717 922 K HN 0.482 nan 8.250 nan 0.000 0.442 923 S N 1.190 116.966 115.700 0.127 0.000 2.370 923 S HA -0.189 4.281 4.470 0.001 0.000 0.226 923 S C 2.136 176.927 174.600 0.317 0.000 1.033 923 S CA 1.486 59.789 58.200 0.172 0.000 1.011 923 S CB -0.185 63.078 63.200 0.106 0.000 0.852 923 S HN 0.311 nan 8.310 nan 0.000 0.457 924 K N 1.353 121.881 120.400 0.215 0.000 2.057 924 K HA -0.126 4.195 4.320 0.001 0.000 0.206 924 K C 2.428 179.108 176.600 0.134 0.000 1.050 924 K CA 1.432 57.830 56.287 0.186 0.000 0.935 924 K CB -0.305 32.273 32.500 0.131 0.000 0.715 924 K HN 0.645 nan 8.250 nan 0.000 0.439 925 E N -0.420 119.819 120.200 0.065 0.000 2.038 925 E HA -0.241 4.110 4.350 0.001 0.000 0.195 925 E C 1.700 178.206 176.600 -0.157 0.000 1.000 925 E CA 1.707 58.051 56.400 -0.093 0.000 0.803 925 E CB -0.207 29.357 29.700 -0.227 0.000 0.750 925 E HN 0.443 nan 8.360 nan 0.000 0.448 926 Y N -0.219 120.139 120.300 0.097 0.000 2.395 926 Y HA 0.099 4.649 4.550 0.001 0.000 0.293 926 Y C 2.378 178.299 175.900 0.034 0.000 1.123 926 Y CA 0.768 58.916 58.100 0.080 0.000 1.227 926 Y CB -0.379 38.153 38.460 0.121 0.000 1.012 926 Y HN 0.203 nan 8.280 nan 0.000 0.552 927 G N 0.057 108.997 108.800 0.234 0.000 2.418 927 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 927 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 927 G C 1.153 176.147 174.900 0.157 0.000 1.158 927 G CA 1.382 46.525 45.100 0.072 0.000 0.771 927 G HN 0.258 nan 8.290 nan 0.000 0.545 928 D N 0.397 120.883 120.400 0.143 0.000 2.178 928 D HA -0.020 4.621 4.640 0.001 0.000 0.201 928 D C 2.466 178.804 176.300 0.063 0.000 0.980 928 D CA 0.719 54.783 54.000 0.105 0.000 0.842 928 D CB -0.053 40.783 40.800 0.060 0.000 0.948 928 D HN 0.317 nan 8.370 nan 0.000 0.472 929 K N 0.015 120.433 120.400 0.031 0.000 2.062 929 K HA 0.018 4.339 4.320 0.001 0.000 0.205 929 K C 2.218 178.833 176.600 0.024 0.000 1.051 929 K CA 0.440 56.738 56.287 0.019 0.000 0.941 929 K CB -0.071 32.440 32.500 0.018 0.000 0.719 929 K HN 0.141 nan 8.250 nan 0.000 0.440 930 L N 1.176 122.394 121.223 -0.008 0.000 2.131 930 L HA -0.199 4.142 4.340 0.001 0.000 0.210 930 L C 2.200 179.124 176.870 0.089 0.000 1.092 930 L CA 1.309 56.121 54.840 -0.047 0.000 0.759 930 L CB -0.269 41.578 42.059 -0.353 0.000 0.903 930 L HN 0.149 nan 8.230 nan 0.000 0.435 931 K N -0.027 120.480 120.400 0.179 0.000 2.147 931 K HA -0.168 4.153 4.320 0.001 0.000 0.205 931 K C 2.095 178.740 176.600 0.074 0.000 1.049 931 K CA 1.208 57.593 56.287 0.164 0.000 0.936 931 K CB 0.039 32.623 32.500 0.141 0.000 0.722 931 K HN 0.299 nan 8.250 nan 0.000 0.446 932 K N 0.566 120.998 120.400 0.054 0.000 2.067 932 K HA 0.013 4.334 4.320 0.001 0.000 0.203 932 K C 2.067 178.681 176.600 0.023 0.000 1.048 932 K CA 0.754 57.059 56.287 0.030 0.000 0.954 932 K CB -0.009 32.504 32.500 0.022 0.000 0.737 932 K HN 0.026 nan 8.250 nan 0.000 0.444 933 L N 0.971 122.207 121.223 0.022 0.000 2.131 933 L HA -0.127 4.214 4.340 0.001 0.000 0.210 933 L C 1.789 178.666 176.870 0.011 0.000 1.092 933 L CA 1.007 55.855 54.840 0.013 0.000 0.759 933 L CB -0.173 41.892 42.059 0.009 0.000 0.903 933 L HN 0.162 nan 8.230 nan 0.000 0.435 934 L N -0.455 120.779 121.223 0.019 0.000 2.700 934 L HA 0.290 4.631 4.340 0.001 0.000 0.234 934 L C 1.028 177.907 176.870 0.014 0.000 1.156 934 L CA -0.655 54.194 54.840 0.016 0.000 0.946 934 L CB -0.207 41.866 42.059 0.024 0.000 1.216 934 L HN 0.039 nan 8.230 nan 0.000 0.493 935 A N 0.481 123.309 122.820 0.014 0.000 2.548 935 A HA 0.371 4.692 4.320 0.001 0.000 0.247 935 A C 1.471 179.055 177.584 0.000 0.000 1.067 935 A CA 0.981 53.022 52.037 0.007 0.000 0.757 935 A CB -0.216 18.788 19.000 0.007 0.000 0.996 935 A HN 0.633 nan 8.150 nan 0.000 0.504 936 G N 0.990 109.787 108.800 -0.005 0.000 2.299 936 G HA2 -0.234 3.727 3.960 0.001 0.000 0.237 936 G HA3 -0.234 3.727 3.960 0.001 0.000 0.237 936 G C 0.362 175.257 174.900 -0.008 0.000 1.027 936 G CA 0.271 45.367 45.100 -0.007 0.000 0.619 936 G HN 0.897 nan 8.290 nan 0.000 0.513 937 Q N 0.666 120.462 119.800 -0.007 0.000 2.262 937 Q HA 0.245 4.586 4.340 0.001 0.000 0.298 937 Q C 1.007 176.999 176.000 -0.014 0.000 1.083 937 Q CA 0.659 56.456 55.803 -0.009 0.000 0.962 937 Q CB 0.991 29.724 28.738 -0.008 0.000 1.104 937 Q HN 0.499 nan 8.270 nan 0.000 0.376 938 K N 1.420 121.812 120.400 -0.014 0.000 2.511 938 K HA 0.157 4.478 4.320 0.001 0.000 0.209 938 K C -0.388 176.203 176.600 -0.016 0.000 1.301 938 K CA 0.197 56.474 56.287 -0.016 0.000 0.967 938 K CB 0.831 33.322 32.500 -0.014 0.000 1.109 938 K HN 0.472 nan 8.250 nan 0.000 0.561 939 D N 0.113 120.506 120.400 -0.013 0.000 2.268 939 D HA 0.490 5.131 4.640 0.001 0.000 0.249 939 D C 0.651 176.944 176.300 -0.013 0.000 1.008 939 D CA 0.539 54.532 54.000 -0.012 0.000 0.939 939 D CB 1.133 41.928 40.800 -0.009 0.000 1.170 939 D HN 0.183 nan 8.370 nan 0.000 0.468 940 G N -0.069 108.724 108.800 -0.011 0.000 2.591 940 G HA2 -0.314 3.647 3.960 0.001 0.000 0.278 940 G HA3 -0.314 3.647 3.960 0.001 0.000 0.278 940 G C 0.748 175.638 174.900 -0.016 0.000 1.293 940 G CA 0.141 45.235 45.100 -0.011 0.000 0.930 940 G HN 0.522 nan 8.290 nan 0.000 0.562 941 L N -0.026 121.188 121.223 -0.015 0.000 2.042 941 L HA 0.039 4.380 4.340 0.001 0.000 0.210 941 L C 2.897 179.748 176.870 -0.031 0.000 1.076 941 L CA 2.588 57.415 54.840 -0.021 0.000 0.749 941 L CB -0.620 41.429 42.059 -0.016 0.000 0.893 941 L HN 0.569 nan 8.230 nan 0.000 0.432 942 L N -1.259 119.948 121.223 -0.026 0.000 2.201 942 L HA -0.101 4.240 4.340 0.001 0.000 0.212 942 L C 2.441 179.295 176.870 -0.026 0.000 1.105 942 L CA 0.997 55.821 54.840 -0.028 0.000 0.775 942 L CB -1.269 40.778 42.059 -0.020 0.000 0.913 942 L HN 0.455 nan 8.230 nan 0.000 0.440 943 G N -0.795 107.990 108.800 -0.026 0.000 2.402 943 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 943 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 943 G C 1.501 176.377 174.900 -0.040 0.000 1.162 943 G CA 0.179 45.263 45.100 -0.027 0.000 0.777 943 G HN 0.359 nan 8.290 nan 0.000 0.539 944 Q N -0.197 119.574 119.800 -0.048 0.000 2.050 944 Q HA -0.003 4.338 4.340 0.001 0.000 0.202 944 Q C 2.612 178.555 176.000 -0.094 0.000 0.980 944 Q CA 1.041 56.800 55.803 -0.074 0.000 0.840 944 Q CB -0.204 28.485 28.738 -0.082 0.000 0.898 944 Q HN 0.519 nan 8.270 nan 0.000 0.424 945 I N 0.575 121.099 120.570 -0.077 0.000 2.286 945 I HA -0.246 3.925 4.170 0.001 0.000 0.248 945 I C 2.391 178.513 176.117 0.008 0.000 1.115 945 I CA 0.811 62.074 61.300 -0.061 0.000 1.392 945 I CB -0.407 37.547 38.000 -0.076 0.000 1.065 945 I HN 0.150 nan 8.210 nan 0.000 0.418 946 A N 0.871 123.688 122.820 -0.005 0.000 1.933 946 A HA -0.092 4.229 4.320 0.001 0.000 0.218 946 A C 2.451 179.988 177.584 -0.078 0.000 1.175 946 A CA 1.662 53.699 52.037 0.000 0.000 0.628 946 A CB -0.657 18.337 19.000 -0.010 0.000 0.814 946 A HN 0.420 nan 8.150 nan 0.000 0.444 947 A N -1.173 121.594 122.820 -0.088 0.000 2.209 947 A HA 0.207 4.528 4.320 0.001 0.000 0.212 947 A C 1.683 179.173 177.584 -0.157 0.000 1.158 947 A CA 1.001 52.973 52.037 -0.109 0.000 0.742 947 A CB -0.490 18.461 19.000 -0.082 0.000 0.790 947 A HN 0.509 nan 8.150 nan 0.000 0.472 948 M N -0.000 119.481 119.600 -0.198 0.000 2.560 948 M HA 0.034 4.515 4.480 0.001 0.000 0.297 948 M C 1.632 177.614 176.300 -0.530 0.000 1.201 948 M CA 0.443 55.596 55.300 -0.245 0.000 0.973 948 M CB 0.270 32.767 32.600 -0.171 0.000 1.401 948 M HN 0.495 nan 8.290 nan 0.000 0.497 949 S N 0.430 115.656 115.700 -0.791 0.000 2.419 949 S HA -0.179 4.291 4.470 0.001 0.000 0.235 949 S C 1.328 175.430 174.600 -0.830 0.000 1.019 949 S CA 1.669 58.949 58.200 -1.533 0.000 0.982 949 S CB -0.542 62.138 63.200 -0.866 0.000 0.789 949 S HN 0.623 nan 8.310 nan 0.000 0.490 950 D N 1.271 121.430 120.400 -0.401 0.000 2.378 950 D HA -0.006 4.635 4.640 0.001 0.000 0.227 950 D C 1.295 177.542 176.300 -0.088 0.000 1.012 950 D CA 0.306 54.193 54.000 -0.189 0.000 0.905 950 D CB -0.440 40.292 40.800 -0.114 0.000 0.895 950 D HN 0.516 nan 8.370 nan 0.000 0.532 951 L N -1.302 119.846 121.223 -0.123 0.000 2.731 951 L HA 0.190 4.531 4.340 0.001 0.000 0.240 951 L C 1.722 178.742 176.870 0.251 0.000 1.120 951 L CA -0.343 54.535 54.840 0.064 0.000 0.913 951 L CB -0.104 41.982 42.059 0.044 0.000 1.213 951 L HN -0.034 nan 8.230 nan 0.000 0.515 952 Y N 1.255 121.590 120.300 0.057 0.000 2.070 952 Y HA -0.187 4.364 4.550 0.001 0.000 0.280 952 Y C 1.870 178.028 175.900 0.430 0.000 1.148 952 Y CA 0.959 59.150 58.100 0.151 0.000 1.125 952 Y CB -0.402 38.062 38.460 0.008 0.000 0.975 952 Y HN 0.199 nan 8.280 nan 0.000 0.492 953 T N 0.517 115.327 114.554 0.427 0.000 2.884 953 T HA 0.149 4.500 4.350 0.001 0.000 0.298 953 T C -0.404 174.453 174.700 0.263 0.000 0.998 953 T CA -1.043 61.248 62.100 0.318 0.000 1.124 953 T CB 1.458 70.458 68.868 0.219 0.000 0.931 953 T HN -0.045 nan 8.240 nan 0.000 0.531 954 K N 2.949 123.473 120.400 0.208 0.000 2.472 954 K HA 0.106 4.427 4.320 0.001 0.000 0.280 954 K C 0.077 176.776 176.600 0.166 0.000 1.028 954 K CA 0.220 56.598 56.287 0.152 0.000 1.045 954 K CB 0.255 32.806 32.500 0.084 0.000 0.902 954 K HN 0.480 nan 8.250 nan 0.000 0.478 955 K N 2.034 122.545 120.400 0.186 0.000 2.109 955 K HA 0.269 4.590 4.320 0.001 0.000 0.243 955 K C -0.480 176.238 176.600 0.197 0.000 1.006 955 K CA -0.569 55.865 56.287 0.246 0.000 0.917 955 K CB 1.617 34.378 32.500 0.436 0.000 1.081 955 K HN 0.553 nan 8.250 nan 0.000 0.468 956 S N 0.725 116.580 115.700 0.259 0.000 2.640 956 S HA 0.319 4.790 4.470 0.001 0.000 0.320 956 S C -0.990 173.788 174.600 0.297 0.000 1.097 956 S CA -0.707 57.614 58.200 0.202 0.000 1.092 956 S CB 0.460 63.823 63.200 0.271 0.000 0.988 956 S HN 0.227 nan 8.310 nan 0.000 0.470 957 V N 6.032 125.985 119.914 0.066 0.000 2.385 957 V HA 0.447 4.568 4.120 0.001 0.000 0.269 957 V C -0.698 175.342 176.094 -0.091 0.000 1.043 957 V CA -0.376 61.949 62.300 0.042 0.000 0.906 957 V CB 0.231 31.977 31.823 -0.129 0.000 0.995 957 V HN 0.837 nan 8.190 nan 0.000 0.467 958 W N 4.792 126.065 121.300 -0.045 0.000 2.666 958 W HA 0.731 5.391 4.660 0.001 0.000 0.334 958 W C -0.387 176.061 176.519 -0.118 0.000 1.051 958 W CA -0.607 56.712 57.345 -0.042 0.000 1.224 958 W CB 1.502 30.902 29.460 -0.100 0.000 1.405 958 W HN 0.329 nan 8.180 nan 0.000 0.513 959 I N 3.587 124.320 120.570 0.272 0.000 2.382 959 I HA 0.339 4.509 4.170 0.001 0.000 0.286 959 I C -0.697 175.683 176.117 0.438 0.000 1.002 959 I CA -0.584 60.818 61.300 0.170 0.000 1.135 959 I CB 0.684 38.792 38.000 0.180 0.000 1.288 959 I HN 0.212 nan 8.210 nan 0.000 0.448 960 F N 4.011 123.987 119.950 0.044 0.000 2.443 960 F HA 0.769 5.297 4.527 0.002 0.000 0.335 960 F C 0.764 176.454 175.800 -0.184 0.000 1.104 960 F CA -0.801 57.272 58.000 0.121 0.000 1.013 960 F CB 2.267 41.394 39.000 0.211 0.000 1.136 960 F HN 0.496 nan 8.300 nan 0.000 0.470 961 G N 1.224 110.101 108.800 0.127 0.000 2.601 961 G HA2 0.486 4.447 3.960 0.001 0.000 0.291 961 G HA3 0.486 4.447 3.960 0.001 0.000 0.291 961 G C -1.179 173.943 174.900 0.371 0.000 1.456 961 G CA -0.614 44.518 45.100 0.052 0.000 0.804 961 G HN 0.880 nan 8.290 nan 0.000 0.499 962 G N -0.995 108.051 108.800 0.409 0.000 2.543 962 G HA2 0.464 4.425 3.960 0.001 0.000 0.290 962 G HA3 0.464 4.425 3.960 0.001 0.000 0.290 962 G C 0.839 176.017 174.900 0.463 0.000 1.310 962 G CA 0.528 45.840 45.100 0.354 0.000 1.025 962 G HN 0.667 nan 8.290 nan 0.000 0.502 963 D N -0.817 119.786 120.400 0.338 0.000 2.144 963 D HA -0.085 4.556 4.640 0.001 0.000 0.200 963 D C 2.187 178.718 176.300 0.385 0.000 0.978 963 D CA 1.204 55.406 54.000 0.337 0.000 0.833 963 D CB -0.705 40.093 40.800 -0.004 0.000 0.961 963 D HN 0.469 nan 8.370 nan 0.000 0.470 964 G N 0.452 109.498 108.800 0.411 0.000 2.440 964 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 964 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 964 G C 1.387 176.487 174.900 0.333 0.000 1.154 964 G CA 0.822 46.195 45.100 0.454 0.000 0.767 964 G HN 0.417 nan 8.290 nan 0.000 0.552 965 W N 1.830 123.276 121.300 0.243 0.000 2.353 965 W HA 0.093 4.754 4.660 0.001 0.000 0.319 965 W C 2.672 179.247 176.519 0.094 0.000 1.207 965 W CA 2.394 59.758 57.345 0.032 0.000 1.291 965 W CB -0.518 29.052 29.460 0.183 0.000 1.159 965 W HN 0.230 nan 8.180 nan 0.000 0.478 966 A N -1.002 121.677 122.820 -0.235 0.000 1.930 966 A HA -0.156 4.165 4.320 0.001 0.000 0.217 966 A C 1.778 179.221 177.584 -0.236 0.000 1.175 966 A CA 1.710 53.401 52.037 -0.578 0.000 0.627 966 A CB -1.222 17.691 19.000 -0.144 0.000 0.815 966 A HN 0.523 nan 8.150 nan 0.000 0.443 967 Y N -0.398 119.810 120.300 -0.153 0.000 2.476 967 Y HA 0.087 4.637 4.550 0.001 0.000 0.283 967 Y C 1.596 177.401 175.900 -0.158 0.000 1.109 967 Y CA 0.515 58.496 58.100 -0.197 0.000 1.246 967 Y CB 0.098 38.509 38.460 -0.082 0.000 1.068 967 Y HN 0.293 nan 8.280 nan 0.000 0.552 968 D N -0.809 119.666 120.400 0.126 0.000 2.970 968 D HA 0.029 4.670 4.640 0.001 0.000 0.236 968 D C 2.035 178.334 176.300 -0.000 0.000 1.415 968 D CA 0.023 54.096 54.000 0.122 0.000 1.279 968 D CB -0.759 40.235 40.800 0.322 0.000 0.932 968 D HN 0.060 nan 8.370 nan 0.000 0.216 969 I N 0.847 121.355 120.570 -0.103 0.000 2.208 969 I HA -0.125 4.045 4.170 0.001 0.000 0.245 969 I C 1.553 177.502 176.117 -0.280 0.000 1.097 969 I CA 1.739 62.873 61.300 -0.276 0.000 1.363 969 I CB 0.033 37.712 38.000 -0.535 0.000 1.051 969 I HN 0.141 nan 8.210 nan 0.000 0.413 970 G N -1.533 107.037 108.800 -0.383 0.000 3.189 970 G HA2 -0.162 3.799 3.960 0.001 0.000 0.225 970 G HA3 -0.162 3.799 3.960 0.001 0.000 0.225 970 G C 1.068 175.715 174.900 -0.421 0.000 1.159 970 G CA -0.205 44.664 45.100 -0.385 0.000 0.763 970 G HN 0.415 nan 8.290 nan 0.000 0.549 971 Y N 2.010 122.053 120.300 -0.429 0.000 2.165 971 Y HA -0.094 4.457 4.550 0.002 0.000 0.286 971 Y C 2.488 178.255 175.900 -0.222 0.000 1.155 971 Y CA 1.637 59.531 58.100 -0.343 0.000 1.164 971 Y CB -0.485 37.837 38.460 -0.231 0.000 0.978 971 Y HN 0.117 nan 8.280 nan 0.000 0.513 972 G N -0.817 107.777 108.800 -0.344 0.000 2.422 972 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 972 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 972 G C 1.888 176.623 174.900 -0.274 0.000 1.146 972 G CA 0.764 45.647 45.100 -0.361 0.000 0.769 972 G HN 0.617 nan 8.290 nan 0.000 0.547 973 G N 0.597 109.276 108.800 -0.201 0.000 2.403 973 G HA2 -0.036 3.925 3.960 0.001 0.000 0.216 973 G HA3 -0.036 3.925 3.960 0.001 0.000 0.216 973 G C 1.697 176.536 174.900 -0.102 0.000 1.154 973 G CA 0.898 45.930 45.100 -0.113 0.000 0.784 973 G HN 0.380 nan 8.290 nan 0.000 0.538 974 L N 1.277 122.398 121.223 -0.172 0.000 2.017 974 L HA -0.005 4.336 4.340 0.001 0.000 0.208 974 L C 2.203 178.966 176.870 -0.180 0.000 1.073 974 L CA 2.631 57.385 54.840 -0.143 0.000 0.745 974 L CB -0.785 41.091 42.059 -0.306 0.000 0.894 974 L HN 0.281 nan 8.230 nan 0.000 0.432 975 D N -1.677 118.531 120.400 -0.320 0.000 2.104 975 D HA -0.300 4.341 4.640 0.001 0.000 0.194 975 D C 2.264 178.437 176.300 -0.211 0.000 0.994 975 D CA 1.649 55.474 54.000 -0.291 0.000 0.830 975 D CB -0.242 40.252 40.800 -0.510 0.000 0.959 975 D HN 0.571 nan 8.370 nan 0.000 0.452 976 H N -0.345 118.564 119.070 -0.269 0.000 2.357 976 H HA -0.053 4.503 4.556 0.001 0.000 0.301 976 H C 2.107 177.237 175.328 -0.329 0.000 1.082 976 H CA 1.374 57.265 56.048 -0.262 0.000 1.342 976 H CB -0.022 29.591 29.762 -0.248 0.000 1.389 976 H HN 0.102 nan 8.280 nan 0.000 0.511 977 V N 1.333 121.101 119.914 -0.243 0.000 2.343 977 V HA -0.249 3.872 4.120 0.001 0.000 0.247 977 V C 2.918 178.870 176.094 -0.237 0.000 1.051 977 V CA 1.363 63.460 62.300 -0.338 0.000 1.036 977 V CB -0.510 31.221 31.823 -0.153 0.000 0.654 977 V HN 0.327 nan 8.190 nan 0.000 0.451 978 L N 0.045 121.146 121.223 -0.203 0.000 2.093 978 L HA -0.102 4.238 4.340 0.001 0.000 0.208 978 L C 2.662 179.339 176.870 -0.322 0.000 1.085 978 L CA 1.446 56.171 54.840 -0.191 0.000 0.755 978 L CB -0.773 41.172 42.059 -0.189 0.000 0.904 978 L HN 0.356 nan 8.230 nan 0.000 0.435 979 A N 0.099 122.595 122.820 -0.539 0.000 2.067 979 A HA -0.180 4.141 4.320 0.001 0.000 0.219 979 A C 2.501 179.964 177.584 -0.202 0.000 1.158 979 A CA 1.587 53.275 52.037 -0.581 0.000 0.661 979 A CB -0.535 18.118 19.000 -0.579 0.000 0.801 979 A HN 0.527 nan 8.150 nan 0.000 0.452 980 S N -1.265 114.268 115.700 -0.279 0.000 2.419 980 S HA 0.207 4.678 4.470 0.001 0.000 0.233 980 S C 1.669 176.221 174.600 -0.080 0.000 1.016 980 S CA 1.454 59.534 58.200 -0.201 0.000 0.974 980 S CB -0.718 62.357 63.200 -0.208 0.000 0.786 980 S HN 1.968 nan 8.310 nan 0.000 0.492 981 G N 0.768 109.579 108.800 0.020 0.000 2.159 981 G HA2 -0.215 3.746 3.960 0.001 0.000 0.256 981 G HA3 -0.215 3.746 3.960 0.001 0.000 0.256 981 G C -0.169 174.741 174.900 0.016 0.000 0.977 981 G CA 0.295 45.414 45.100 0.032 0.000 0.652 981 G HN 0.623 nan 8.290 nan 0.000 0.531 982 E N 0.331 120.563 120.200 0.053 0.000 2.345 982 E HA 0.292 4.642 4.350 0.001 0.000 0.259 982 E C -0.525 176.083 176.600 0.014 0.000 1.117 982 E CA -0.629 55.787 56.400 0.026 0.000 0.913 982 E CB 0.771 30.541 29.700 0.117 0.000 1.057 982 E HN 0.126 nan 8.360 nan 0.000 0.432 983 D N 1.924 122.296 120.400 -0.047 0.000 2.498 983 D HA 0.134 4.774 4.640 0.001 0.000 0.229 983 D C -0.895 175.354 176.300 -0.085 0.000 1.188 983 D CA -0.183 53.773 54.000 -0.073 0.000 1.028 983 D CB -0.394 40.347 40.800 -0.098 0.000 1.087 983 D HN 0.234 nan 8.370 nan 0.000 0.510 984 V N 0.614 120.492 119.914 -0.060 0.000 3.040 984 V HA 0.671 4.791 4.120 0.001 0.000 0.312 984 V C -0.590 175.393 176.094 -0.185 0.000 1.115 984 V CA -1.087 61.149 62.300 -0.106 0.000 0.998 984 V CB 2.386 34.218 31.823 0.014 0.000 1.042 984 V HN 0.239 nan 8.190 nan 0.000 0.433 985 N N 1.428 119.903 118.700 -0.376 0.000 2.442 985 N HA 0.577 5.317 4.740 0.001 0.000 0.274 985 N C -1.232 174.190 175.510 -0.146 0.000 1.002 985 N CA -0.259 52.451 53.050 -0.567 0.000 0.910 985 N CB 2.234 39.663 38.487 -1.763 0.000 1.244 985 N HN 0.633 nan 8.380 nan 0.000 0.492 986 V N 2.957 122.950 119.914 0.133 0.000 2.370 986 V HA 0.392 4.513 4.120 0.001 0.000 0.283 986 V C -0.598 175.851 176.094 0.592 0.000 1.023 986 V CA -0.700 61.843 62.300 0.404 0.000 0.857 986 V CB 0.828 32.879 31.823 0.379 0.000 0.985 986 V HN 0.485 nan 8.190 nan 0.000 0.443 987 F N 5.909 126.224 119.950 0.607 0.000 2.403 987 F HA 0.660 5.187 4.527 0.001 0.000 0.355 987 F C -0.326 175.709 175.800 0.391 0.000 1.119 987 F CA -0.776 57.538 58.000 0.522 0.000 1.007 987 F CB 1.508 40.844 39.000 0.560 0.000 1.194 987 F HN 0.256 nan 8.300 nan 0.000 0.443 988 V N 7.828 127.620 119.914 -0.204 0.000 2.350 988 V HA 0.289 4.410 4.120 0.001 0.000 0.276 988 V C 0.093 175.944 176.094 -0.404 0.000 1.028 988 V CA -0.536 61.716 62.300 -0.081 0.000 0.860 988 V CB 1.291 33.224 31.823 0.183 0.000 0.990 988 V HN 0.712 nan 8.190 nan 0.000 0.453 989 M N 4.367 123.817 119.600 -0.250 0.000 2.151 989 M HA 0.289 4.770 4.480 0.001 0.000 0.349 989 M C -0.195 176.082 176.300 -0.039 0.000 1.284 989 M CA -0.135 55.032 55.300 -0.222 0.000 1.173 989 M CB 0.347 32.931 32.600 -0.027 0.000 1.469 989 M HN 0.484 nan 8.290 nan 0.000 0.439 990 D N 2.528 122.890 120.400 -0.063 0.000 2.393 990 D HA 0.086 4.727 4.640 0.001 0.000 0.232 990 D C 0.858 177.073 176.300 -0.143 0.000 1.192 990 D CA 0.096 54.099 54.000 0.006 0.000 0.882 990 D CB 1.010 41.920 40.800 0.185 0.000 1.038 990 D HN 0.643 nan 8.370 nan 0.000 0.499 991 T N -0.001 114.512 114.554 -0.069 0.000 3.086 991 T HA 0.080 4.431 4.350 0.001 0.000 0.250 991 T C 0.593 175.253 174.700 -0.067 0.000 1.074 991 T CA -0.304 61.729 62.100 -0.111 0.000 0.988 991 T CB -0.203 68.649 68.868 -0.026 0.000 0.988 991 T HN 0.572 nan 8.240 nan 0.000 0.530 992 E N -0.093 120.087 120.200 -0.034 0.000 2.722 992 E HA -0.166 4.184 4.350 0.001 0.000 0.265 992 E C -0.072 176.520 176.600 -0.014 0.000 1.081 992 E CA 0.588 56.984 56.400 -0.007 0.000 0.781 992 E CB -2.428 27.332 29.700 0.101 0.000 1.372 992 E HN 0.828 nan 8.360 nan 0.000 0.423 993 V N -4.950 114.976 119.914 0.019 0.000 3.279 993 V HA 0.337 4.457 4.120 0.001 0.000 0.281 993 V C -1.015 175.203 176.094 0.205 0.000 1.601 993 V CA -1.327 60.994 62.300 0.035 0.000 1.044 993 V CB 0.964 32.781 31.823 -0.010 0.000 1.205 993 V HN -0.006 nan 8.190 nan 0.000 0.464 994 Y N 1.764 122.076 120.300 0.021 0.000 2.585 994 Y HA 0.526 5.076 4.550 0.001 0.000 0.354 994 Y C 1.693 177.593 175.900 0.000 0.000 1.024 994 Y CA 0.016 58.136 58.100 0.033 0.000 1.321 994 Y CB 0.517 38.984 38.460 0.013 0.000 1.151 994 Y HN 0.839 nan 8.280 nan 0.000 0.525 995 S N 2.549 118.340 115.700 0.152 0.000 2.336 995 S HA -0.201 4.269 4.470 0.001 0.000 0.216 995 S C 1.925 176.556 174.600 0.052 0.000 1.032 995 S CA 1.327 59.578 58.200 0.083 0.000 0.973 995 S CB -0.222 63.027 63.200 0.082 0.000 0.888 995 S HN 0.904 nan 8.310 nan 0.000 0.455 996 N N 1.789 120.507 118.700 0.030 0.000 2.137 996 N HA -0.173 4.568 4.740 0.001 0.000 0.190 996 N C 1.345 176.841 175.510 -0.024 0.000 1.017 996 N CA 2.037 55.086 53.050 -0.002 0.000 0.859 996 N CB -0.745 37.716 38.487 -0.042 0.000 1.002 996 N HN 0.470 nan 8.380 nan 0.000 0.428 997 T N -5.232 109.307 114.554 -0.026 0.000 3.148 997 T HA 0.362 4.713 4.350 0.001 0.000 0.253 997 T C 1.320 176.018 174.700 -0.004 0.000 1.134 997 T CA 0.145 62.231 62.100 -0.023 0.000 1.051 997 T CB 0.104 68.958 68.868 -0.024 0.000 0.959 997 T HN 0.556 nan 8.240 nan 0.000 0.525 998 G N 0.258 109.058 108.800 0.001 0.000 2.148 998 G HA2 0.306 4.267 3.960 0.001 0.000 0.120 998 G HA3 0.306 4.267 3.960 0.001 0.000 0.120 998 G C 0.702 175.583 174.900 -0.032 0.000 1.034 998 G CA -0.123 44.963 45.100 -0.024 0.000 0.710 998 G HN 1.482 nan 8.290 nan 0.000 0.495 999 G N -0.967 107.833 108.800 -0.000 0.000 2.256 999 G HA2 -0.077 3.883 3.960 0.001 0.000 0.272 999 G HA3 -0.077 3.883 3.960 0.001 0.000 0.272 999 G C 0.202 175.066 174.900 -0.060 0.000 1.076 999 G CA 0.953 46.038 45.100 -0.025 0.000 0.882 999 G HN 1.066 nan 8.290 nan 0.000 0.497 1000 Q N 0.112 119.893 119.800 -0.032 0.000 2.306 1000 Q HA 0.616 4.956 4.340 0.001 0.000 0.241 1000 Q C 0.875 176.709 176.000 -0.277 0.000 0.948 1000 Q CA 0.243 55.986 55.803 -0.099 0.000 0.886 1000 Q CB 1.164 29.891 28.738 -0.018 0.000 1.227 1000 Q HN 0.372 nan 8.270 nan 0.000 0.457 1001 S N 0.708 116.281 115.700 -0.213 0.000 2.572 1001 S HA 0.406 4.876 4.470 0.001 0.000 0.279 1001 S C -0.360 173.960 174.600 -0.465 0.000 1.341 1001 S CA -0.125 57.934 58.200 -0.236 0.000 1.043 1001 S CB 0.101 63.245 63.200 -0.094 0.000 0.887 1001 S HN 0.625 nan 8.310 nan 0.000 0.516 1002 S N 3.364 118.883 115.700 -0.301 0.000 2.704 1002 S HA 0.512 4.983 4.470 0.001 0.000 0.296 1002 S C 0.280 174.836 174.600 -0.073 0.000 1.138 1002 S CA -0.996 57.087 58.200 -0.195 0.000 0.875 1002 S CB 1.215 64.443 63.200 0.046 0.000 1.151 1002 S HN 0.713 nan 8.310 nan 0.000 0.500 1003 K N 0.099 120.503 120.400 0.007 0.000 2.515 1003 K HA 0.066 4.387 4.320 0.001 0.000 0.196 1003 K C 1.614 178.175 176.600 -0.065 0.000 1.038 1003 K CA 0.868 57.160 56.287 0.009 0.000 0.967 1003 K CB -0.384 32.155 32.500 0.066 0.000 0.780 1003 K HN 0.676 nan 8.250 nan 0.000 0.483 1004 A N 0.917 123.569 122.820 -0.280 0.000 2.178 1004 A HA 0.024 4.345 4.320 0.001 0.000 0.211 1004 A C 0.778 178.262 177.584 -0.167 0.000 1.157 1004 A CA 0.275 51.986 52.037 -0.544 0.000 0.780 1004 A CB 0.033 18.361 19.000 -1.120 0.000 0.828 1004 A HN 0.071 nan 8.150 nan 0.000 0.476 1005 T N 3.644 118.147 114.554 -0.085 0.000 2.888 1005 T HA 0.335 4.686 4.350 0.001 0.000 0.301 1005 T C -2.323 172.416 174.700 0.065 0.000 1.001 1005 T CA -0.606 61.493 62.100 -0.002 0.000 1.147 1005 T CB 1.019 69.864 68.868 -0.038 0.000 0.931 1005 T HN 0.293 nan 8.240 nan 0.000 0.541 1006 P HA 0.184 nan 4.420 nan 0.000 0.278 1006 P C -0.342 177.096 177.300 0.230 0.000 1.266 1006 P CA -0.568 62.671 63.100 0.231 0.000 0.807 1006 P CB 0.418 32.373 31.700 0.425 0.000 1.094 1007 T N 0.690 115.372 114.554 0.213 0.000 2.933 1007 T HA 0.259 4.610 4.350 0.001 0.000 0.306 1007 T C 1.453 176.317 174.700 0.273 0.000 1.045 1007 T CA 1.822 64.034 62.100 0.187 0.000 1.143 1007 T CB -0.760 68.201 68.868 0.154 0.000 1.003 1007 T HN 0.831 nan 8.240 nan 0.000 0.540 1008 G N 1.903 110.824 108.800 0.202 0.000 2.212 1008 G HA2 -0.153 3.807 3.960 0.001 0.000 0.266 1008 G HA3 -0.153 3.807 3.960 0.001 0.000 0.266 1008 G C 0.305 175.349 174.900 0.240 0.000 0.978 1008 G CA 0.056 45.300 45.100 0.240 0.000 0.632 1008 G HN 1.220 nan 8.290 nan 0.000 0.537 1009 A N -0.086 122.814 122.820 0.132 0.000 2.401 1009 A HA 0.668 4.989 4.320 0.001 0.000 0.259 1009 A C 0.482 177.956 177.584 -0.185 0.000 1.103 1009 A CA 0.234 52.099 52.037 -0.286 0.000 0.789 1009 A CB 1.069 19.893 19.000 -0.293 0.000 1.035 1009 A HN 1.088 nan 8.150 nan 0.000 0.491 1010 V N 1.866 121.634 119.914 -0.243 0.000 2.432 1010 V HA 0.642 4.763 4.120 0.001 0.000 0.275 1010 V C 0.603 176.600 176.094 -0.162 0.000 1.043 1010 V CA 0.745 62.957 62.300 -0.147 0.000 0.925 1010 V CB 0.598 32.358 31.823 -0.105 0.000 0.985 1010 V HN 1.337 nan 8.190 nan 0.000 0.466 1011 A N 5.320 128.058 122.820 -0.135 0.000 2.581 1011 A HA 0.755 5.075 4.320 0.001 0.000 0.290 1011 A C -1.049 176.432 177.584 -0.172 0.000 1.119 1011 A CA -0.994 50.957 52.037 -0.144 0.000 0.670 1011 A CB 1.309 20.231 19.000 -0.129 0.000 1.280 1011 A HN 0.511 nan 8.150 nan 0.000 0.425 1012 K N 0.324 120.588 120.400 -0.227 0.000 2.451 1012 K HA 0.371 4.692 4.320 0.001 0.000 0.280 1012 K C -0.532 175.848 176.600 -0.366 0.000 1.020 1012 K CA 0.485 56.503 56.287 -0.448 0.000 1.008 1012 K CB -0.748 31.415 32.500 -0.562 0.000 0.917 1012 K HN 0.883 nan 8.250 nan 0.000 0.478 1013 F N -0.882 119.010 119.950 -0.098 0.000 2.746 1013 F HA -0.305 4.223 4.527 0.001 0.000 0.315 1013 F C 0.541 176.294 175.800 -0.079 0.000 0.666 1013 F CA 0.782 58.732 58.000 -0.082 0.000 1.381 1013 F CB -1.603 37.340 39.000 -0.094 0.000 1.739 1013 F HN 0.610 nan 8.300 nan 0.000 0.322 1014 A N -0.364 122.448 122.820 -0.014 0.000 2.897 1014 A HA 0.780 5.100 4.320 0.001 0.000 0.230 1014 A C 0.857 178.398 177.584 -0.072 0.000 0.896 1014 A CA 0.303 52.323 52.037 -0.029 0.000 1.114 1014 A CB -0.226 18.754 19.000 -0.033 0.000 1.230 1014 A HN 0.688 nan 8.150 nan 0.000 0.481 1015 A N -0.546 122.221 122.820 -0.089 0.000 2.239 1015 A HA 0.434 4.754 4.320 0.001 0.000 0.209 1015 A C 1.476 178.999 177.584 -0.100 0.000 1.171 1015 A CA 1.420 53.400 52.037 -0.095 0.000 0.768 1015 A CB -0.164 18.775 19.000 -0.102 0.000 0.790 1015 A HN 1.498 nan 8.150 nan 0.000 0.478 1016 A N -1.255 121.482 122.820 -0.139 0.000 2.603 1016 A HA 0.537 4.858 4.320 0.001 0.000 0.277 1016 A C 0.909 178.405 177.584 -0.146 0.000 1.158 1016 A CA 0.536 52.417 52.037 -0.260 0.000 0.962 1016 A CB -0.507 18.286 19.000 -0.345 0.000 1.189 1016 A HN 1.947 nan 8.150 nan 0.000 0.552 1017 G N 0.327 109.085 108.800 -0.070 0.000 3.190 1017 G HA2 -0.092 3.869 3.960 0.001 0.000 0.686 1017 G HA3 -0.092 3.869 3.960 0.001 0.000 0.686 1017 G C -0.404 174.491 174.900 -0.007 0.000 1.033 1017 G CA -0.221 44.869 45.100 -0.017 0.000 0.797 1017 G HN 0.665 nan 8.290 nan 0.000 0.567 1018 K N 1.307 121.713 120.400 0.010 0.000 2.484 1018 K HA 0.203 4.524 4.320 0.001 0.000 0.280 1018 K C 1.131 177.752 176.600 0.036 0.000 1.013 1018 K CA -0.069 56.230 56.287 0.019 0.000 1.029 1018 K CB 0.272 32.788 32.500 0.027 0.000 0.902 1018 K HN 0.385 nan 8.250 nan 0.000 0.481 1019 R N 2.015 122.529 120.500 0.023 0.000 2.393 1019 R HA 0.068 4.408 4.340 0.001 0.000 0.244 1019 R C -0.159 176.160 176.300 0.031 0.000 0.920 1019 R CA 0.132 56.248 56.100 0.026 0.000 1.076 1019 R CB 0.021 30.327 30.300 0.011 0.000 1.119 1019 R HN 0.759 nan 8.270 nan 0.000 0.524 1020 T N -2.943 111.631 114.554 0.034 0.000 2.893 1020 T HA 0.687 5.038 4.350 0.001 0.000 0.291 1020 T C 0.543 175.269 174.700 0.044 0.000 1.028 1020 T CA -0.782 61.337 62.100 0.032 0.000 0.995 1020 T CB 2.772 71.652 68.868 0.021 0.000 1.051 1020 T HN 0.081 nan 8.240 nan 0.000 0.470 1021 G N 0.864 109.689 108.800 0.043 0.000 2.634 1021 G HA2 0.379 4.340 3.960 0.001 0.000 0.255 1021 G HA3 0.379 4.340 3.960 0.001 0.000 0.255 1021 G C -0.314 174.612 174.900 0.044 0.000 1.205 1021 G CA -0.892 44.239 45.100 0.051 0.000 0.884 1021 G HN 0.974 nan 8.290 nan 0.000 0.549 1022 K N 0.206 120.637 120.400 0.052 0.000 2.412 1022 K HA 0.068 4.388 4.320 0.001 0.000 0.281 1022 K C 0.615 177.249 176.600 0.056 0.000 1.027 1022 K CA -0.248 56.071 56.287 0.052 0.000 0.989 1022 K CB 0.381 32.914 32.500 0.056 0.000 0.935 1022 K HN 0.467 nan 8.250 nan 0.000 0.475 1023 K N 3.522 123.977 120.400 0.093 0.000 2.401 1023 K HA -0.076 4.245 4.320 0.001 0.000 0.278 1023 K C -0.442 176.220 176.600 0.103 0.000 1.018 1023 K CA -0.046 56.291 56.287 0.083 0.000 0.981 1023 K CB 0.571 33.139 32.500 0.113 0.000 0.933 1023 K HN 0.505 nan 8.250 nan 0.000 0.477 1024 D N 5.506 125.898 120.400 -0.014 0.000 2.563 1024 D HA 0.015 4.656 4.640 0.001 0.000 0.222 1024 D C 0.966 177.190 176.300 -0.127 0.000 1.145 1024 D CA -0.203 53.766 54.000 -0.052 0.000 1.001 1024 D CB 0.326 41.072 40.800 -0.091 0.000 1.049 1024 D HN 0.550 nan 8.370 nan 0.000 0.515 1025 L N 3.387 124.489 121.223 -0.202 0.000 2.042 1025 L HA -0.131 4.210 4.340 0.001 0.000 0.210 1025 L C 2.071 178.826 176.870 -0.192 0.000 1.076 1025 L CA 2.201 56.825 54.840 -0.360 0.000 0.749 1025 L CB -0.552 41.017 42.059 -0.816 0.000 0.893 1025 L HN 0.287 nan 8.230 nan 0.000 0.432 1026 A N -0.287 122.466 122.820 -0.112 0.000 1.865 1026 A HA -0.248 4.073 4.320 0.001 0.000 0.217 1026 A C 2.436 179.961 177.584 -0.098 0.000 1.191 1026 A CA 2.040 54.067 52.037 -0.017 0.000 0.623 1026 A CB -0.630 18.483 19.000 0.189 0.000 0.826 1026 A HN 0.522 nan 8.150 nan 0.000 0.444 1027 R N -1.308 119.098 120.500 -0.157 0.000 2.115 1027 R HA -0.014 4.327 4.340 0.001 0.000 0.230 1027 R C 2.236 178.389 176.300 -0.244 0.000 1.111 1027 R CA 1.401 57.347 56.100 -0.257 0.000 0.976 1027 R CB -0.360 29.781 30.300 -0.265 0.000 0.870 1027 R HN 0.580 nan 8.270 nan 0.000 0.445 1028 M N -0.039 119.450 119.600 -0.186 0.000 2.132 1028 M HA -0.139 4.342 4.480 0.001 0.000 0.263 1028 M C 2.185 178.377 176.300 -0.180 0.000 1.065 1028 M CA 1.408 56.608 55.300 -0.168 0.000 1.122 1028 M CB -0.021 32.521 32.600 -0.097 0.000 1.365 1028 M HN -0.043 nan 8.290 nan 0.000 0.411 1029 V N 0.105 119.950 119.914 -0.114 0.000 2.667 1029 V HA -0.208 3.912 4.120 0.001 0.000 0.252 1029 V C 2.176 178.178 176.094 -0.153 0.000 1.065 1029 V CA 1.314 63.596 62.300 -0.030 0.000 1.083 1029 V CB -0.558 31.263 31.823 -0.002 0.000 0.692 1029 V HN 0.519 nan 8.190 nan 0.000 0.468 1030 M N 0.631 120.032 119.600 -0.332 0.000 2.460 1030 M HA -0.114 4.366 4.480 0.001 0.000 0.263 1030 M C 2.260 178.223 176.300 -0.562 0.000 1.071 1030 M CA 1.790 56.703 55.300 -0.644 0.000 1.096 1030 M CB -0.643 31.470 32.600 -0.812 0.000 1.408 1030 M HN 0.632 nan 8.290 nan 0.000 0.463 1031 T N -2.342 111.962 114.554 -0.418 0.000 3.007 1031 T HA -0.149 4.202 4.350 0.001 0.000 0.270 1031 T C 1.374 175.854 174.700 -0.367 0.000 1.107 1031 T CA 0.953 62.826 62.100 -0.378 0.000 1.118 1031 T CB -0.490 68.143 68.868 -0.392 0.000 0.889 1031 T HN 0.321 nan 8.240 nan 0.000 0.506 1032 Y N 2.018 122.123 120.300 -0.324 0.000 2.263 1032 Y HA 0.260 4.811 4.550 0.001 0.000 0.292 1032 Y C 2.593 178.301 175.900 -0.320 0.000 1.130 1032 Y CA 0.633 58.476 58.100 -0.429 0.000 1.179 1032 Y CB -0.735 37.266 38.460 -0.764 0.000 0.998 1032 Y HN 0.440 nan 8.280 nan 0.000 0.532 1033 G N -0.835 107.928 108.800 -0.063 0.000 2.284 1033 G HA2 -0.390 3.571 3.960 0.001 0.000 0.247 1033 G HA3 -0.390 3.571 3.960 0.001 0.000 0.247 1033 G C 0.718 175.787 174.900 0.283 0.000 1.012 1033 G CA 0.640 45.854 45.100 0.191 0.000 0.618 1033 G HN 0.573 nan 8.290 nan 0.000 0.521 1034 Y N -0.104 120.365 120.300 0.281 0.000 2.584 1034 Y HA 0.759 5.310 4.550 0.001 0.000 0.254 1034 Y C 0.288 176.371 175.900 0.305 0.000 1.177 1034 Y CA -0.907 57.384 58.100 0.318 0.000 1.216 1034 Y CB -0.062 38.673 38.460 0.459 0.000 1.172 1034 Y HN 0.219 nan 8.280 nan 0.000 0.529 1035 V N 1.707 121.680 119.914 0.099 0.000 2.459 1035 V HA 0.191 4.312 4.120 0.001 0.000 0.295 1035 V C -0.888 175.179 176.094 -0.046 0.000 1.029 1035 V CA -1.247 61.110 62.300 0.095 0.000 0.874 1035 V CB 1.312 33.113 31.823 -0.038 0.000 0.985 1035 V HN 0.313 nan 8.190 nan 0.000 0.438 1036 Y N 4.996 125.074 120.300 -0.370 0.000 2.402 1036 Y HA 0.551 5.102 4.550 0.001 0.000 0.333 1036 Y C -0.324 175.521 175.900 -0.091 0.000 1.076 1036 Y CA 0.084 57.913 58.100 -0.451 0.000 1.299 1036 Y CB 1.057 39.053 38.460 -0.774 0.000 1.197 1036 Y HN 0.412 nan 8.280 nan 0.000 0.517 1037 V N 5.630 125.334 119.914 -0.350 0.000 2.709 1037 V HA 0.908 5.029 4.120 0.001 0.000 0.308 1037 V C -0.657 175.335 176.094 -0.171 0.000 1.062 1037 V CA -0.466 61.772 62.300 -0.103 0.000 0.901 1037 V CB 1.266 33.083 31.823 -0.009 0.000 1.003 1037 V HN 0.959 nan 8.190 nan 0.000 0.425 1038 A N 2.648 125.465 122.820 -0.006 0.000 2.606 1038 A HA 0.970 5.291 4.320 0.001 0.000 0.293 1038 A C -0.449 177.067 177.584 -0.113 0.000 1.082 1038 A CA -0.316 51.685 52.037 -0.061 0.000 0.685 1038 A CB 2.236 21.307 19.000 0.119 0.000 1.284 1038 A HN 1.011 nan 8.150 nan 0.000 0.408 1039 T N -1.233 113.112 114.554 -0.348 0.000 2.887 1039 T HA 0.812 5.163 4.350 0.001 0.000 0.288 1039 T C -0.185 174.571 174.700 0.093 0.000 1.021 1039 T CA -0.121 61.849 62.100 -0.216 0.000 1.000 1039 T CB 0.980 69.414 68.868 -0.724 0.000 1.034 1039 T HN 2.107 nan 8.240 nan 0.000 0.467 1040 V N -1.609 118.524 119.914 0.365 0.000 3.130 1040 V HA 0.980 5.101 4.120 0.001 0.000 0.310 1040 V C -0.572 175.799 176.094 0.463 0.000 1.158 1040 V CA -0.866 61.693 62.300 0.432 0.000 1.029 1040 V CB 1.794 33.944 31.823 0.545 0.000 1.057 1040 V HN 1.159 nan 8.190 nan 0.000 0.436 1041 S N 2.095 118.046 115.700 0.418 0.000 2.446 1041 S HA 0.305 4.776 4.470 0.001 0.000 0.230 1041 S C 0.342 175.135 174.600 0.321 0.000 1.051 1041 S CA 0.012 58.425 58.200 0.355 0.000 1.113 1041 S CB 1.112 64.472 63.200 0.266 0.000 1.184 1041 S HN 1.077 nan 8.310 nan 0.000 0.435 1042 M N 4.013 123.756 119.600 0.238 0.000 2.089 1042 M HA -0.081 4.400 4.480 0.001 0.000 0.257 1042 M C 1.880 178.234 176.300 0.089 0.000 1.071 1042 M CA 2.700 58.032 55.300 0.053 0.000 1.096 1042 M CB -0.675 31.736 32.600 -0.314 0.000 1.330 1042 M HN 0.789 nan 8.290 nan 0.000 0.403 1043 G N -1.487 107.373 108.800 0.100 0.000 2.448 1043 G HA2 -0.290 3.671 3.960 0.001 0.000 0.219 1043 G HA3 -0.290 3.671 3.960 0.001 0.000 0.219 1043 G C 1.168 176.146 174.900 0.130 0.000 1.127 1043 G CA 0.917 46.075 45.100 0.097 0.000 0.766 1043 G HN 0.626 nan 8.290 nan 0.000 0.552 1044 Y N 0.630 120.967 120.300 0.062 0.000 2.269 1044 Y HA 0.353 4.904 4.550 0.000 0.000 0.294 1044 Y C 0.925 176.861 175.900 0.059 0.000 1.120 1044 Y CA 0.916 59.053 58.100 0.060 0.000 1.159 1044 Y CB 0.449 38.961 38.460 0.086 0.000 1.024 1044 Y HN 0.135 nan 8.280 nan 0.000 0.532 1045 S N -0.182 115.569 115.700 0.085 0.000 2.653 1045 S HA 0.281 4.752 4.470 0.001 0.000 0.268 1045 S C -0.171 174.500 174.600 0.117 0.000 1.153 1045 S CA -0.787 57.410 58.200 -0.006 0.000 1.036 1045 S CB 0.867 64.071 63.200 0.007 0.000 1.103 1045 S HN 0.333 nan 8.310 nan 0.000 0.466 1046 K N 2.690 123.085 120.400 -0.009 0.000 2.155 1046 K HA -0.037 4.283 4.320 0.001 0.000 0.203 1046 K C 1.797 178.454 176.600 0.095 0.000 1.052 1046 K CA 1.046 57.326 56.287 -0.012 0.000 0.948 1046 K CB -0.017 32.116 32.500 -0.611 0.000 0.728 1046 K HN 0.558 nan 8.250 nan 0.000 0.448 1047 Q N 0.747 120.553 119.800 0.009 0.000 2.084 1047 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 1047 Q C 2.260 178.335 176.000 0.126 0.000 0.978 1047 Q CA 1.348 57.175 55.803 0.040 0.000 0.844 1047 Q CB 0.068 28.802 28.738 -0.006 0.000 0.898 1047 Q HN 0.205 nan 8.270 nan 0.000 0.426 1048 Q N -0.362 119.541 119.800 0.172 0.000 2.124 1048 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 1048 Q C 1.864 178.059 176.000 0.324 0.000 0.977 1048 Q CA 1.163 57.100 55.803 0.224 0.000 0.850 1048 Q CB -0.144 28.746 28.738 0.254 0.000 0.901 1048 Q HN 0.396 nan 8.270 nan 0.000 0.429 1049 F N 1.067 121.156 119.950 0.232 0.000 2.102 1049 F HA -0.161 4.367 4.527 0.001 0.000 0.298 1049 F C 1.954 177.920 175.800 0.277 0.000 1.105 1049 F CA 1.217 59.400 58.000 0.306 0.000 1.239 1049 F CB -0.613 38.618 39.000 0.386 0.000 0.991 1049 F HN 0.034 nan 8.300 nan 0.000 0.474 1050 L N 0.238 121.486 121.223 0.041 0.000 2.083 1050 L HA -0.226 4.115 4.340 0.001 0.000 0.209 1050 L C 2.633 179.497 176.870 -0.010 0.000 1.083 1050 L CA 1.738 56.514 54.840 -0.106 0.000 0.752 1050 L CB -0.733 41.341 42.059 0.024 0.000 0.899 1050 L HN 0.151 nan 8.230 nan 0.000 0.433 1051 K N 0.095 120.541 120.400 0.077 0.000 2.025 1051 K HA -0.150 4.170 4.320 0.001 0.000 0.207 1051 K C 2.036 178.718 176.600 0.137 0.000 1.049 1051 K CA 1.331 57.679 56.287 0.102 0.000 0.933 1051 K CB 0.023 32.592 32.500 0.114 0.000 0.714 1051 K HN 0.057 nan 8.250 nan 0.000 0.438 1052 V N 1.959 121.987 119.914 0.191 0.000 2.343 1052 V HA -0.267 3.853 4.120 0.001 0.000 0.247 1052 V C 2.342 178.567 176.094 0.218 0.000 1.051 1052 V CA 1.601 64.065 62.300 0.273 0.000 1.036 1052 V CB -0.363 31.685 31.823 0.375 0.000 0.654 1052 V HN 0.337 nan 8.190 nan 0.000 0.451 1053 L N -0.576 120.740 121.223 0.154 0.000 2.012 1053 L HA -0.189 4.152 4.340 0.001 0.000 0.210 1053 L C 2.768 179.855 176.870 0.360 0.000 1.073 1053 L CA 1.545 56.541 54.840 0.260 0.000 0.748 1053 L CB -0.672 41.417 42.059 0.049 0.000 0.891 1053 L HN 0.259 nan 8.230 nan 0.000 0.431 1054 K N 0.261 120.809 120.400 0.247 0.000 2.057 1054 K HA -0.153 4.168 4.320 0.001 0.000 0.207 1054 K C 1.940 178.606 176.600 0.110 0.000 1.049 1054 K CA 1.366 57.799 56.287 0.244 0.000 0.931 1054 K CB -0.290 32.299 32.500 0.148 0.000 0.714 1054 K HN 0.444 nan 8.250 nan 0.000 0.440 1055 E N 0.542 120.755 120.200 0.022 0.000 2.047 1055 E HA -0.127 4.224 4.350 0.001 0.000 0.191 1055 E C 2.071 178.380 176.600 -0.486 0.000 0.987 1055 E CA 1.034 57.345 56.400 -0.148 0.000 0.799 1055 E CB -0.106 29.553 29.700 -0.068 0.000 0.752 1055 E HN 0.276 nan 8.360 nan 0.000 0.449 1056 A N 1.669 124.154 122.820 -0.558 0.000 1.877 1056 A HA -0.223 4.097 4.320 0.001 0.000 0.216 1056 A C 2.167 179.600 177.584 -0.252 0.000 1.186 1056 A CA 1.359 53.040 52.037 -0.594 0.000 0.620 1056 A CB -0.375 18.546 19.000 -0.131 0.000 0.822 1056 A HN 0.108 nan 8.150 nan 0.000 0.443 1057 E N 0.633 120.743 120.200 -0.150 0.000 2.106 1057 E HA -0.146 4.205 4.350 0.001 0.000 0.192 1057 E C 2.304 178.824 176.600 -0.133 0.000 0.984 1057 E CA 1.625 57.880 56.400 -0.242 0.000 0.806 1057 E CB -0.234 29.209 29.700 -0.427 0.000 0.750 1057 E HN 0.672 nan 8.360 nan 0.000 0.458 1058 S N -0.181 115.496 115.700 -0.037 0.000 2.489 1058 S HA -0.077 4.394 4.470 0.001 0.000 0.228 1058 S C 0.879 175.498 174.600 0.032 0.000 0.995 1058 S CA -0.358 57.849 58.200 0.011 0.000 0.934 1058 S CB -0.536 62.696 63.200 0.054 0.000 0.771 1058 S HN 0.185 nan 8.310 nan 0.000 0.522 1059 F N 5.859 125.727 119.950 -0.137 0.000 2.557 1059 F HA 0.305 4.833 4.527 0.002 0.000 0.384 1059 F C -2.217 173.576 175.800 -0.013 0.000 1.057 1059 F CA -2.915 55.042 58.000 -0.072 0.000 1.169 1059 F CB 0.571 39.491 39.000 -0.134 0.000 1.070 1059 F HN 0.058 nan 8.300 nan 0.000 0.554 1060 P HA 0.281 nan 4.420 nan 0.000 0.230 1060 P C -0.134 176.790 177.300 -0.626 0.000 1.791 1060 P CA 0.355 63.196 63.100 -0.432 0.000 1.020 1060 P CB -0.058 31.486 31.700 -0.260 0.000 1.977 1061 G N 1.790 110.234 108.800 -0.594 0.000 2.321 1061 G HA2 0.329 4.290 3.960 0.001 0.000 0.296 1061 G HA3 0.329 4.290 3.960 0.001 0.000 0.296 1061 G C -3.603 171.378 174.900 0.136 0.000 1.287 1061 G CA -0.913 44.024 45.100 -0.272 0.000 0.846 1061 G HN -0.126 nan 8.290 nan 0.000 0.508 1062 P HA 0.454 nan 4.420 nan 0.000 0.271 1062 P C -0.664 176.859 177.300 0.371 0.000 1.216 1062 P CA 0.097 63.360 63.100 0.272 0.000 0.771 1062 P CB 1.392 33.209 31.700 0.195 0.000 0.864 1063 S N 2.194 118.026 115.700 0.219 0.000 2.538 1063 S HA 0.616 5.087 4.470 0.001 0.000 0.288 1063 S C -1.143 173.571 174.600 0.190 0.000 1.108 1063 S CA -0.472 57.862 58.200 0.224 0.000 0.971 1063 S CB 0.914 64.187 63.200 0.122 0.000 1.041 1063 S HN 0.317 nan 8.310 nan 0.000 0.483 1064 L N 3.969 125.334 121.223 0.237 0.000 2.376 1064 L HA 0.793 5.133 4.340 0.001 0.000 0.275 1064 L C -1.549 175.485 176.870 0.275 0.000 0.987 1064 L CA -0.406 54.568 54.840 0.224 0.000 0.828 1064 L CB 1.466 43.608 42.059 0.138 0.000 1.249 1064 L HN 0.462 nan 8.230 nan 0.000 0.409 1065 V N 6.581 126.701 119.914 0.344 0.000 2.531 1065 V HA 0.530 4.651 4.120 0.001 0.000 0.301 1065 V C -0.218 176.018 176.094 0.237 0.000 1.034 1065 V CA -0.398 62.130 62.300 0.381 0.000 0.865 1065 V CB 1.827 34.033 31.823 0.640 0.000 0.995 1065 V HN 0.626 nan 8.190 nan 0.000 0.424 1066 I N 4.150 124.822 120.570 0.171 0.000 2.389 1066 I HA 0.742 4.913 4.170 0.001 0.000 0.288 1066 I C 0.313 176.563 176.117 0.222 0.000 0.999 1066 I CA -0.470 60.915 61.300 0.141 0.000 1.129 1066 I CB 1.786 39.919 38.000 0.222 0.000 1.288 1066 I HN 0.670 nan 8.210 nan 0.000 0.444 1067 A N 5.583 128.348 122.820 -0.091 0.000 2.325 1067 A HA 0.493 4.814 4.320 0.001 0.000 0.333 1067 A C -1.210 176.207 177.584 -0.278 0.000 1.155 1067 A CA -0.411 51.476 52.037 -0.250 0.000 0.814 1067 A CB 0.694 19.082 19.000 -1.020 0.000 1.206 1067 A HN 0.636 nan 8.150 nan 0.000 0.482 1068 Y N 2.207 122.186 120.300 -0.535 0.000 2.486 1068 Y HA 0.446 4.997 4.550 0.002 0.000 0.348 1068 Y C 0.326 176.065 175.900 -0.268 0.000 1.000 1068 Y CA -0.237 57.335 58.100 -0.880 0.000 1.253 1068 Y CB 0.312 38.012 38.460 -1.266 0.000 1.140 1068 Y HN 0.764 nan 8.280 nan 0.000 0.526 1069 A N 5.385 127.823 122.820 -0.637 0.000 2.273 1069 A HA 0.505 4.826 4.320 0.001 0.000 0.315 1069 A C 0.059 177.391 177.584 -0.420 0.000 1.256 1069 A CA -0.398 51.466 52.037 -0.289 0.000 0.851 1069 A CB -0.034 18.898 19.000 -0.113 0.000 1.172 1069 A HN 0.792 nan 8.150 nan 0.000 0.508 1070 T N -0.905 113.511 114.554 -0.230 0.000 2.860 1070 T HA 0.473 4.824 4.350 0.001 0.000 0.299 1070 T C 0.065 174.715 174.700 -0.084 0.000 1.045 1070 T CA -0.452 61.561 62.100 -0.146 0.000 1.071 1070 T CB 0.992 69.855 68.868 -0.008 0.000 0.985 1070 T HN 1.321 nan 8.240 nan 0.000 0.537 1071 C N 3.014 122.279 119.300 -0.058 0.000 3.082 1071 C HA 0.505 4.966 4.460 0.001 0.000 0.324 1071 C C 1.694 176.675 174.990 -0.016 0.000 1.210 1071 C CA -0.906 58.097 59.018 -0.024 0.000 1.366 1071 C CB 0.044 27.769 27.740 -0.024 0.000 1.756 1071 C HN 1.090 nan 8.230 nan 0.000 0.485 1072 I N 1.363 121.932 120.570 -0.001 0.000 2.423 1072 I HA -0.122 4.049 4.170 0.001 0.000 0.254 1072 I C 1.669 177.775 176.117 -0.019 0.000 1.151 1072 I CA 2.033 63.330 61.300 -0.004 0.000 1.421 1072 I CB -0.613 37.392 38.000 0.009 0.000 1.079 1072 I HN 0.766 nan 8.210 nan 0.000 0.431 1073 N N 0.967 119.653 118.700 -0.023 0.000 2.289 1073 N HA -0.183 4.558 4.740 0.001 0.000 0.184 1073 N C 1.773 177.243 175.510 -0.067 0.000 1.016 1073 N CA 1.078 54.103 53.050 -0.042 0.000 0.872 1073 N CB -0.131 38.334 38.487 -0.035 0.000 0.973 1073 N HN 0.587 nan 8.380 nan 0.000 0.433 1074 Q N -0.152 119.610 119.800 -0.063 0.000 2.369 1074 Q HA 0.049 4.390 4.340 0.001 0.000 0.206 1074 Q C 0.779 176.729 176.000 -0.082 0.000 0.963 1074 Q CA 0.500 56.252 55.803 -0.085 0.000 0.894 1074 Q CB 0.358 29.063 28.738 -0.055 0.000 0.965 1074 Q HN 0.391 nan 8.270 nan 0.000 0.475 1075 G N 1.428 110.194 108.800 -0.057 0.000 2.298 1075 G HA2 -0.256 3.705 3.960 0.001 0.000 0.287 1075 G HA3 -0.256 3.705 3.960 0.001 0.000 0.287 1075 G C -0.213 174.665 174.900 -0.036 0.000 1.075 1075 G CA -0.330 44.743 45.100 -0.046 0.000 0.960 1075 G HN 0.241 nan 8.290 nan 0.000 0.502 1076 L N -0.255 120.952 121.223 -0.027 0.000 2.615 1076 L HA 0.063 4.404 4.340 0.001 0.000 0.271 1076 L C 2.160 179.021 176.870 -0.015 0.000 1.183 1076 L CA 0.190 55.018 54.840 -0.020 0.000 0.933 1076 L CB 0.130 42.187 42.059 -0.003 0.000 1.199 1076 L HN 0.395 nan 8.230 nan 0.000 0.487 1077 R N 2.461 122.951 120.500 -0.018 0.000 2.189 1077 R HA -0.106 4.235 4.340 0.001 0.000 0.223 1077 R C 1.122 177.420 176.300 -0.005 0.000 1.092 1077 R CA 1.100 57.194 56.100 -0.012 0.000 0.989 1077 R CB 0.016 30.308 30.300 -0.013 0.000 0.876 1077 R HN 0.554 nan 8.270 nan 0.000 0.457 1078 K N -0.199 120.200 120.400 -0.000 0.000 2.373 1078 K HA 0.184 4.505 4.320 0.001 0.000 0.202 1078 K C -0.044 176.561 176.600 0.008 0.000 1.025 1078 K CA 0.218 56.508 56.287 0.005 0.000 1.115 1078 K CB 1.628 34.133 32.500 0.009 0.000 0.858 1078 K HN 0.255 nan 8.250 nan 0.000 0.525 1079 G N 0.855 109.659 108.800 0.006 0.000 2.576 1079 G HA2 -0.166 3.795 3.960 0.001 0.000 0.686 1079 G HA3 -0.166 3.795 3.960 0.001 0.000 0.686 1079 G C 0.124 175.032 174.900 0.013 0.000 1.242 1079 G CA -0.902 44.203 45.100 0.009 0.000 0.819 1079 G HN -0.122 nan 8.290 nan 0.000 0.655 1080 M N 1.142 120.750 119.600 0.013 0.000 2.549 1080 M HA 0.033 4.514 4.480 0.001 0.000 0.260 1080 M C 2.439 178.750 176.300 0.019 0.000 1.076 1080 M CA 1.709 57.019 55.300 0.016 0.000 1.090 1080 M CB -0.936 31.673 32.600 0.015 0.000 1.418 1080 M HN 0.988 nan 8.290 nan 0.000 0.486 1081 G N 0.022 108.833 108.800 0.018 0.000 2.776 1081 G HA2 -0.127 3.833 3.960 0.001 0.000 0.209 1081 G HA3 -0.127 3.833 3.960 0.001 0.000 0.209 1081 G C 1.467 176.381 174.900 0.025 0.000 1.145 1081 G CA 0.352 45.464 45.100 0.020 0.000 0.791 1081 G HN 0.279 nan 8.290 nan 0.000 0.530 1082 K N 0.636 121.053 120.400 0.029 0.000 2.372 1082 K HA 0.254 4.575 4.320 0.001 0.000 0.200 1082 K C 2.044 178.677 176.600 0.054 0.000 1.022 1082 K CA -0.066 56.244 56.287 0.038 0.000 1.125 1082 K CB 0.471 32.993 32.500 0.036 0.000 0.855 1082 K HN 0.114 nan 8.250 nan 0.000 0.524 1083 S N 1.770 117.498 115.700 0.047 0.000 2.365 1083 S HA -0.181 4.290 4.470 0.001 0.000 0.225 1083 S C 1.765 176.413 174.600 0.080 0.000 1.039 1083 S CA 1.379 59.616 58.200 0.062 0.000 1.033 1083 S CB 0.034 63.251 63.200 0.029 0.000 0.887 1083 S HN 0.342 nan 8.310 nan 0.000 0.447 1084 Q N 0.606 120.437 119.800 0.051 0.000 2.084 1084 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 1084 Q C 1.897 177.944 176.000 0.079 0.000 0.978 1084 Q CA 1.385 57.219 55.803 0.053 0.000 0.844 1084 Q CB -0.692 28.063 28.738 0.028 0.000 0.898 1084 Q HN 0.542 nan 8.270 nan 0.000 0.426 1085 D N -0.106 120.339 120.400 0.074 0.000 2.144 1085 D HA -0.102 4.539 4.640 0.001 0.000 0.200 1085 D C 1.873 178.245 176.300 0.119 0.000 0.978 1085 D CA 0.603 54.653 54.000 0.082 0.000 0.833 1085 D CB 0.236 41.076 40.800 0.066 0.000 0.961 1085 D HN -0.016 nan 8.370 nan 0.000 0.470 1086 V N 0.262 120.263 119.914 0.145 0.000 2.427 1086 V HA -0.226 3.895 4.120 0.001 0.000 0.248 1086 V C 2.442 178.682 176.094 0.244 0.000 1.051 1086 V CA 1.495 63.932 62.300 0.228 0.000 1.048 1086 V CB -0.404 31.552 31.823 0.222 0.000 0.666 1086 V HN 0.312 nan 8.190 nan 0.000 0.456 1087 M N -0.155 119.570 119.600 0.208 0.000 2.117 1087 M HA -0.191 4.290 4.480 0.001 0.000 0.262 1087 M C 2.148 178.500 176.300 0.086 0.000 1.065 1087 M CA 2.091 57.489 55.300 0.163 0.000 1.114 1087 M CB -0.730 31.994 32.600 0.208 0.000 1.361 1087 M HN 0.462 nan 8.290 nan 0.000 0.408 1088 N N -0.421 118.358 118.700 0.133 0.000 2.058 1088 N HA -0.155 4.586 4.740 0.001 0.000 0.191 1088 N C 1.351 176.925 175.510 0.108 0.000 1.037 1088 N CA 1.773 54.932 53.050 0.182 0.000 0.848 1088 N CB 0.136 38.709 38.487 0.143 0.000 1.021 1088 N HN 0.236 nan 8.380 nan 0.000 0.422 1089 T N 0.441 115.028 114.554 0.056 0.000 2.833 1089 T HA -0.036 4.315 4.350 0.001 0.000 0.269 1089 T C 1.885 176.390 174.700 -0.324 0.000 1.054 1089 T CA 0.952 63.034 62.100 -0.030 0.000 1.135 1089 T CB -0.331 68.597 68.868 0.101 0.000 0.869 1089 T HN 0.416 nan 8.240 nan 0.000 0.466 1090 A N 0.983 123.543 122.820 -0.434 0.000 1.917 1090 A HA -0.090 4.231 4.320 0.001 0.000 0.219 1090 A C 2.538 179.879 177.584 -0.404 0.000 1.182 1090 A CA 1.579 53.118 52.037 -0.830 0.000 0.633 1090 A CB -0.917 17.606 19.000 -0.794 0.000 0.819 1090 A HN 0.388 nan 8.150 nan 0.000 0.448 1091 V N -0.173 119.588 119.914 -0.255 0.000 2.302 1091 V HA -0.200 3.921 4.120 0.001 0.000 0.243 1091 V C 2.357 178.271 176.094 -0.300 0.000 1.036 1091 V CA 2.083 64.210 62.300 -0.288 0.000 1.020 1091 V CB -0.706 30.734 31.823 -0.638 0.000 0.657 1091 V HN 0.516 nan 8.190 nan 0.000 0.453 1092 K N 1.265 121.542 120.400 -0.205 0.000 2.113 1092 K HA -0.188 4.133 4.320 0.001 0.000 0.208 1092 K C 2.267 178.775 176.600 -0.152 0.000 1.047 1092 K CA 1.869 58.094 56.287 -0.103 0.000 0.928 1092 K CB -0.417 32.097 32.500 0.023 0.000 0.716 1092 K HN 0.632 nan 8.250 nan 0.000 0.446 1093 S N -0.577 115.003 115.700 -0.200 0.000 2.481 1093 S HA 0.001 4.472 4.470 0.001 0.000 0.231 1093 S C 1.568 176.064 174.600 -0.173 0.000 0.996 1093 S CA 0.809 58.892 58.200 -0.196 0.000 0.942 1093 S CB -0.033 62.984 63.200 -0.305 0.000 0.768 1093 S HN 0.496 nan 8.310 nan 0.000 0.520 1094 G N 0.131 108.824 108.800 -0.177 0.000 2.176 1094 G HA2 -0.389 3.571 3.960 0.001 0.000 0.253 1094 G HA3 -0.389 3.571 3.960 0.001 0.000 0.253 1094 G C 0.373 175.269 174.900 -0.005 0.000 0.979 1094 G CA 0.417 45.438 45.100 -0.130 0.000 0.641 1094 G HN 0.590 nan 8.290 nan 0.000 0.530 1095 Y N -0.321 119.865 120.300 -0.191 0.000 2.181 1095 Y HA 0.163 4.714 4.550 0.002 0.000 0.288 1095 Y C 1.357 177.279 175.900 0.036 0.000 1.146 1095 Y CA 2.027 60.057 58.100 -0.118 0.000 1.164 1095 Y CB 0.177 38.426 38.460 -0.350 0.000 0.982 1095 Y HN 0.356 nan 8.280 nan 0.000 0.515 1096 W N 4.772 125.994 121.300 -0.129 0.000 2.433 1096 W HA 0.315 4.976 4.660 0.001 0.000 0.288 1096 W C -2.952 173.509 176.519 -0.097 0.000 0.986 1096 W CA -2.272 54.990 57.345 -0.138 0.000 1.680 1096 W CB 0.760 30.108 29.460 -0.188 0.000 1.615 1096 W HN -0.014 nan 8.180 nan 0.000 0.416 1097 P HA 0.131 nan 4.420 nan 0.000 0.271 1097 P C -0.483 176.772 177.300 -0.074 0.000 1.216 1097 P CA 0.241 63.374 63.100 0.056 0.000 0.776 1097 P CB 1.903 33.766 31.700 0.272 0.000 0.881 1098 L N 4.164 125.378 121.223 -0.015 0.000 2.309 1098 L HA 0.596 4.937 4.340 0.001 0.000 0.282 1098 L C 0.228 177.089 176.870 -0.016 0.000 1.036 1098 L CA -0.684 54.095 54.840 -0.103 0.000 0.806 1098 L CB 0.451 42.533 42.059 0.039 0.000 1.220 1098 L HN 0.453 nan 8.230 nan 0.000 0.429 1099 F N 0.376 120.283 119.950 -0.072 0.000 2.713 1099 F HA 0.735 5.262 4.527 0.001 0.000 0.311 1099 F C -1.173 174.503 175.800 -0.207 0.000 1.141 1099 F CA -1.368 56.491 58.000 -0.236 0.000 0.939 1099 F CB 1.594 40.397 39.000 -0.329 0.000 1.325 1099 F HN 0.226 nan 8.300 nan 0.000 0.453 1100 R N 0.975 121.428 120.500 -0.079 0.000 2.538 1100 R HA 0.383 4.724 4.340 0.001 0.000 0.292 1100 R C -2.340 173.818 176.300 -0.237 0.000 1.008 1100 R CA -0.871 55.137 56.100 -0.154 0.000 0.896 1100 R CB 2.450 32.678 30.300 -0.120 0.000 1.187 1100 R HN 0.830 nan 8.270 nan 0.000 0.440 1101 Y N 2.609 122.677 120.300 -0.387 0.000 2.402 1101 Y HA 0.258 4.809 4.550 0.001 0.000 0.332 1101 Y C -0.902 174.644 175.900 -0.590 0.000 0.960 1101 Y CA -0.635 57.278 58.100 -0.311 0.000 1.228 1101 Y CB 0.999 39.381 38.460 -0.130 0.000 1.120 1101 Y HN 0.456 nan 8.280 nan 0.000 0.491 1102 D N 8.578 128.565 120.400 -0.687 0.000 2.453 1102 D HA 0.313 4.954 4.640 0.001 0.000 0.238 1102 D C -2.171 173.806 176.300 -0.539 0.000 1.088 1102 D CA -2.518 51.198 54.000 -0.472 0.000 0.854 1102 D CB 2.216 42.934 40.800 -0.137 0.000 1.076 1102 D HN 0.308 nan 8.370 nan 0.000 0.533 1103 P HA -0.149 nan 4.420 nan 0.000 0.217 1103 P C 1.215 178.215 177.300 -0.500 0.000 1.148 1103 P CA 1.053 63.734 63.100 -0.698 0.000 0.828 1103 P CB 0.129 31.187 31.700 -1.070 0.000 0.783 1104 R N -0.492 119.908 120.500 -0.167 0.000 2.235 1104 R HA 0.012 4.353 4.340 0.001 0.000 0.213 1104 R C 1.906 178.276 176.300 0.116 0.000 1.059 1104 R CA 0.911 57.141 56.100 0.217 0.000 0.997 1104 R CB -1.371 29.131 30.300 0.336 0.000 0.884 1104 R HN 0.260 nan 8.270 nan 0.000 0.462 1105 L N 0.961 122.160 121.223 -0.040 0.000 2.109 1105 L HA -0.010 4.331 4.340 0.001 0.000 0.207 1105 L C 2.747 179.588 176.870 -0.048 0.000 1.086 1105 L CA 1.124 55.923 54.840 -0.068 0.000 0.760 1105 L CB -0.461 41.491 42.059 -0.179 0.000 0.910 1105 L HN 0.296 nan 8.230 nan 0.000 0.437 1106 A N -0.029 122.743 122.820 -0.080 0.000 1.969 1106 A HA -0.116 4.205 4.320 0.001 0.000 0.218 1106 A C 2.431 180.173 177.584 0.263 0.000 1.169 1106 A CA 1.489 53.574 52.037 0.080 0.000 0.635 1106 A CB -0.504 18.553 19.000 0.095 0.000 0.810 1106 A HN 0.395 nan 8.150 nan 0.000 0.445 1107 A N -0.907 122.082 122.820 0.282 0.000 2.066 1107 A HA -0.090 4.231 4.320 0.001 0.000 0.218 1107 A C 1.864 179.564 177.584 0.195 0.000 1.157 1107 A CA 1.278 53.494 52.037 0.298 0.000 0.670 1107 A CB -0.309 18.934 19.000 0.406 0.000 0.804 1107 A HN 0.643 nan 8.150 nan 0.000 0.453 1108 Q N -1.483 118.415 119.800 0.164 0.000 2.280 1108 Q HA 0.299 4.639 4.340 0.001 0.000 0.201 1108 Q C 0.907 176.987 176.000 0.134 0.000 0.890 1108 Q CA 0.255 56.131 55.803 0.121 0.000 0.947 1108 Q CB 0.311 29.102 28.738 0.090 0.000 1.081 1108 Q HN 0.792 nan 8.270 nan 0.000 0.502 1109 G N 1.550 110.471 108.800 0.203 0.000 2.143 1109 G HA2 -0.283 3.678 3.960 0.001 0.000 0.248 1109 G HA3 -0.283 3.678 3.960 0.001 0.000 0.248 1109 G C -0.133 174.972 174.900 0.342 0.000 0.991 1109 G CA 0.175 45.438 45.100 0.273 0.000 0.689 1109 G HN 0.214 nan 8.290 nan 0.000 0.522 1110 K N -0.377 120.129 120.400 0.177 0.000 2.221 1110 K HA 0.439 4.760 4.320 0.001 0.000 0.243 1110 K C -0.032 176.238 176.600 -0.551 0.000 0.968 1110 K CA -1.105 55.164 56.287 -0.029 0.000 0.846 1110 K CB 0.856 33.322 32.500 -0.056 0.000 1.141 1110 K HN 0.060 nan 8.250 nan 0.000 0.434 1111 N N 2.947 121.270 118.700 -0.627 0.000 2.440 1111 N HA 0.005 4.746 4.740 0.001 0.000 0.265 1111 N C -1.669 173.457 175.510 -0.640 0.000 1.239 1111 N CA -1.620 50.876 53.050 -0.922 0.000 0.909 1111 N CB 0.698 38.937 38.487 -0.414 0.000 1.066 1111 N HN 0.315 nan 8.380 nan 0.000 0.474 1112 P HA -0.074 nan 4.420 nan 0.000 0.221 1112 P C 0.174 177.124 177.300 -0.583 0.000 1.150 1112 P CA 0.559 63.233 63.100 -0.710 0.000 0.800 1112 P CB 0.086 31.152 31.700 -1.057 0.000 0.787 1113 F N 1.965 121.610 119.950 -0.507 0.000 2.420 1113 F HA 0.278 4.806 4.527 0.001 0.000 0.352 1113 F C 0.087 175.763 175.800 -0.206 0.000 1.108 1113 F CA -0.252 57.590 58.000 -0.263 0.000 1.162 1113 F CB 0.569 39.474 39.000 -0.157 0.000 1.118 1113 F HN -0.163 nan 8.300 nan 0.000 0.510 1114 Q N 6.613 125.883 119.800 -0.882 0.000 2.310 1114 Q HA 0.414 4.755 4.340 0.001 0.000 0.270 1114 Q C -1.239 174.327 176.000 -0.723 0.000 1.025 1114 Q CA -0.733 54.709 55.803 -0.602 0.000 0.772 1114 Q CB 2.694 31.241 28.738 -0.317 0.000 1.253 1114 Q HN 0.666 nan 8.270 nan 0.000 0.450 1115 L N 3.021 123.964 121.223 -0.468 0.000 2.281 1115 L HA 0.210 4.551 4.340 0.001 0.000 0.285 1115 L C -0.047 176.784 176.870 -0.066 0.000 1.074 1115 L CA 0.015 54.709 54.840 -0.245 0.000 0.817 1115 L CB 0.795 42.781 42.059 -0.123 0.000 1.168 1115 L HN 0.779 nan 8.230 nan 0.000 0.434 1116 D N 0.908 121.315 120.400 0.013 0.000 2.379 1116 D HA 0.050 4.691 4.640 0.001 0.000 0.208 1116 D C 0.632 177.043 176.300 0.186 0.000 1.065 1116 D CA 0.320 54.376 54.000 0.093 0.000 0.848 1116 D CB 0.680 41.544 40.800 0.107 0.000 0.949 1116 D HN 0.534 nan 8.370 nan 0.000 0.509 1117 S N -0.734 115.072 115.700 0.176 0.000 2.715 1117 S HA 0.618 5.088 4.470 0.001 0.000 0.307 1117 S C -0.077 174.695 174.600 0.288 0.000 1.119 1117 S CA -0.847 57.460 58.200 0.178 0.000 0.937 1117 S CB 2.605 65.766 63.200 -0.065 0.000 1.150 1117 S HN -0.221 nan 8.310 nan 0.000 0.521 1118 K N 0.045 120.561 120.400 0.193 0.000 2.168 1118 K HA 0.719 5.040 4.320 0.001 0.000 0.239 1118 K C -0.006 176.422 176.600 -0.287 0.000 0.999 1118 K CA -0.856 55.518 56.287 0.145 0.000 0.900 1118 K CB 1.163 33.711 32.500 0.080 0.000 1.111 1118 K HN 0.827 nan 8.250 nan 0.000 0.452 1119 A N 2.046 124.595 122.820 -0.452 0.000 2.555 1119 A HA 0.125 4.445 4.320 0.001 0.000 0.233 1119 A C -2.156 175.024 177.584 -0.675 0.000 1.060 1119 A CA -0.692 50.737 52.037 -1.013 0.000 0.759 1119 A CB -0.843 17.953 19.000 -0.340 0.000 0.995 1119 A HN 0.373 nan 8.150 nan 0.000 0.506 1120 P HA -0.039 nan 4.420 nan 0.000 0.261 1120 P C -0.157 177.017 177.300 -0.210 0.000 1.165 1120 P CA 0.746 63.637 63.100 -0.348 0.000 0.759 1120 P CB 0.440 31.990 31.700 -0.249 0.000 0.772 1121 D N 2.215 122.526 120.400 -0.148 0.000 2.339 1121 D HA 0.081 4.721 4.640 0.001 0.000 0.217 1121 D C 1.304 177.568 176.300 -0.058 0.000 1.050 1121 D CA 0.381 54.329 54.000 -0.088 0.000 0.856 1121 D CB -0.544 40.220 40.800 -0.059 0.000 0.922 1121 D HN 0.539 nan 8.370 nan 0.000 0.518 1122 G N 0.353 109.116 108.800 -0.061 0.000 2.157 1122 G HA2 -0.323 3.638 3.960 0.001 0.000 0.248 1122 G HA3 -0.323 3.638 3.960 0.001 0.000 0.248 1122 G C 0.931 175.819 174.900 -0.020 0.000 0.979 1122 G CA 0.606 45.685 45.100 -0.034 0.000 0.650 1122 G HN 0.686 nan 8.290 nan 0.000 0.529 1123 S N -0.971 114.714 115.700 -0.026 0.000 2.605 1123 S HA 0.365 4.836 4.470 0.001 0.000 0.217 1123 S C 1.976 176.589 174.600 0.021 0.000 0.958 1123 S CA 1.021 59.221 58.200 -0.001 0.000 0.919 1123 S CB 1.026 64.226 63.200 0.000 0.000 0.780 1123 S HN 1.086 nan 8.310 nan 0.000 0.507 1124 V N 2.049 121.963 119.914 0.000 0.000 2.332 1124 V HA -0.232 3.889 4.120 0.001 0.000 0.248 1124 V C 2.666 178.791 176.094 0.052 0.000 1.055 1124 V CA 2.758 65.078 62.300 0.034 0.000 1.038 1124 V CB -0.603 31.232 31.823 0.019 0.000 0.651 1124 V HN 0.654 nan 8.190 nan 0.000 0.450 1125 E N 0.482 120.691 120.200 0.014 0.000 2.049 1125 E HA -0.267 4.084 4.350 0.001 0.000 0.198 1125 E C 2.111 178.705 176.600 -0.010 0.000 1.007 1125 E CA 2.405 58.799 56.400 -0.009 0.000 0.809 1125 E CB -0.466 29.233 29.700 -0.002 0.000 0.749 1125 E HN 0.753 nan 8.360 nan 0.000 0.450 1126 E N -0.783 119.428 120.200 0.018 0.000 2.110 1126 E HA -0.172 4.179 4.350 0.001 0.000 0.193 1126 E C 1.984 178.596 176.600 0.021 0.000 0.988 1126 E CA 0.970 57.381 56.400 0.018 0.000 0.804 1126 E CB -0.373 29.346 29.700 0.032 0.000 0.745 1126 E HN 0.347 nan 8.360 nan 0.000 0.458 1127 F N 1.905 121.791 119.950 -0.106 0.000 2.065 1127 F HA -0.231 4.296 4.527 0.000 0.000 0.298 1127 F C 1.968 177.661 175.800 -0.178 0.000 1.112 1127 F CA 1.485 59.399 58.000 -0.145 0.000 1.212 1127 F CB -0.319 38.556 39.000 -0.209 0.000 0.975 1127 F HN -0.105 nan 8.300 nan 0.000 0.476 1128 L N -0.544 120.454 121.223 -0.374 0.000 2.027 1128 L HA -0.232 4.109 4.340 0.001 0.000 0.206 1128 L C 2.444 179.185 176.870 -0.215 0.000 1.074 1128 L CA 1.013 55.491 54.840 -0.603 0.000 0.745 1128 L CB -0.724 40.912 42.059 -0.704 0.000 0.898 1128 L HN 0.183 nan 8.230 nan 0.000 0.433 1129 M N -0.349 119.179 119.600 -0.120 0.000 2.549 1129 M HA -0.040 4.441 4.480 0.001 0.000 0.260 1129 M C 2.018 178.299 176.300 -0.032 0.000 1.076 1129 M CA 0.887 56.169 55.300 -0.030 0.000 1.090 1129 M CB -1.120 31.470 32.600 -0.017 0.000 1.418 1129 M HN 0.245 nan 8.290 nan 0.000 0.486 1130 A N -0.244 122.526 122.820 -0.083 0.000 2.278 1130 A HA 0.096 4.417 4.320 0.001 0.000 0.212 1130 A C 0.562 178.102 177.584 -0.074 0.000 1.213 1130 A CA 0.105 52.101 52.037 -0.069 0.000 0.840 1130 A CB -0.067 18.890 19.000 -0.072 0.000 0.866 1130 A HN 0.502 nan 8.150 nan 0.000 0.489 1131 Q N -0.943 118.824 119.800 -0.055 0.000 2.321 1131 Q HA 0.240 4.580 4.340 0.001 0.000 0.270 1131 Q C 0.005 176.008 176.000 0.004 0.000 1.032 1131 Q CA -0.623 55.162 55.803 -0.029 0.000 0.784 1131 Q CB 1.519 30.244 28.738 -0.022 0.000 1.264 1131 Q HN 0.326 nan 8.270 nan 0.000 0.448 1132 N N 1.949 120.628 118.700 -0.034 0.000 2.205 1132 N HA -0.203 4.537 4.740 0.001 0.000 0.186 1132 N C 1.504 176.967 175.510 -0.079 0.000 1.015 1132 N CA 1.592 54.619 53.050 -0.038 0.000 0.862 1132 N CB 0.235 38.695 38.487 -0.045 0.000 0.986 1132 N HN 0.548 nan 8.380 nan 0.000 0.429 1133 R N -1.409 118.987 120.500 -0.173 0.000 2.249 1133 R HA -0.102 4.239 4.340 0.001 0.000 0.230 1133 R C 0.994 177.019 176.300 -0.458 0.000 1.121 1133 R CA 1.369 57.265 56.100 -0.340 0.000 0.997 1133 R CB -0.520 29.491 30.300 -0.481 0.000 0.867 1133 R HN 0.294 nan 8.270 nan 0.000 0.465 1134 F N 0.115 120.040 119.950 -0.042 0.000 2.557 1134 F HA 0.387 4.915 4.527 0.002 0.000 0.278 1134 F C 2.635 178.427 175.800 -0.013 0.000 1.051 1134 F CA 0.187 58.172 58.000 -0.025 0.000 1.357 1134 F CB -0.101 38.867 39.000 -0.054 0.000 1.104 1134 F HN 0.043 nan 8.300 nan 0.000 0.654 1135 A N -0.112 122.798 122.820 0.150 0.000 1.972 1135 A HA -0.146 4.175 4.320 0.001 0.000 0.219 1135 A C 2.238 179.853 177.584 0.052 0.000 1.169 1135 A CA 1.741 53.826 52.037 0.080 0.000 0.635 1135 A CB -1.146 17.878 19.000 0.041 0.000 0.810 1135 A HN 0.247 nan 8.150 nan 0.000 0.446 1136 V N -0.603 119.330 119.914 0.032 0.000 2.490 1136 V HA -0.174 3.947 4.120 0.001 0.000 0.250 1136 V C 2.267 178.397 176.094 0.061 0.000 1.061 1136 V CA 2.153 64.466 62.300 0.022 0.000 1.064 1136 V CB -0.305 31.517 31.823 -0.002 0.000 0.670 1136 V HN 0.539 nan 8.190 nan 0.000 0.461 1137 L N 0.365 121.647 121.223 0.098 0.000 2.156 1137 L HA -0.058 4.282 4.340 0.001 0.000 0.208 1137 L C 2.062 179.029 176.870 0.162 0.000 1.095 1137 L CA 2.495 57.441 54.840 0.176 0.000 0.770 1137 L CB -0.679 41.477 42.059 0.163 0.000 0.914 1137 L HN 0.475 nan 8.230 nan 0.000 0.439 1138 D N -1.027 119.439 120.400 0.109 0.000 2.219 1138 D HA -0.157 4.484 4.640 0.001 0.000 0.205 1138 D C 2.201 178.522 176.300 0.035 0.000 0.970 1138 D CA 1.070 55.117 54.000 0.079 0.000 0.851 1138 D CB 0.163 41.002 40.800 0.064 0.000 0.943 1138 D HN 0.272 nan 8.370 nan 0.000 0.488 1139 R N -0.630 119.877 120.500 0.012 0.000 2.127 1139 R HA 0.131 4.472 4.340 0.001 0.000 0.217 1139 R C 2.092 178.328 176.300 -0.106 0.000 1.074 1139 R CA 0.871 56.950 56.100 -0.035 0.000 0.991 1139 R CB 0.131 30.411 30.300 -0.032 0.000 0.895 1139 R HN 0.062 nan 8.270 nan 0.000 0.450 1140 S N -0.105 115.509 115.700 -0.143 0.000 2.441 1140 S HA 0.126 4.597 4.470 0.001 0.000 0.224 1140 S C 0.129 174.238 174.600 -0.819 0.000 1.043 1140 S CA 0.598 58.522 58.200 -0.461 0.000 0.948 1140 S CB 0.332 63.275 63.200 -0.427 0.000 0.810 1140 S HN 0.116 nan 8.310 nan 0.000 0.504 1141 F N 1.406 121.362 119.950 0.010 0.000 2.646 1141 F HA 0.355 4.882 4.527 0.001 0.000 0.336 1141 F C -2.011 173.801 175.800 0.019 0.000 1.437 1141 F CA -2.040 55.968 58.000 0.014 0.000 1.142 1141 F CB 1.167 40.177 39.000 0.017 0.000 1.530 1141 F HN -0.034 nan 8.300 nan 0.000 0.591 1142 P HA -0.256 nan 4.420 nan 0.000 0.216 1142 P C 1.456 178.808 177.300 0.087 0.000 1.150 1142 P CA 1.677 64.822 63.100 0.075 0.000 0.843 1142 P CB 0.596 32.314 31.700 0.031 0.000 0.787 1143 E N 0.264 120.521 120.200 0.095 0.000 2.017 1143 E HA -0.187 4.164 4.350 0.001 0.000 0.193 1143 E C 1.861 178.513 176.600 0.086 0.000 0.997 1143 E CA 1.741 58.190 56.400 0.080 0.000 0.804 1143 E CB -0.711 29.038 29.700 0.081 0.000 0.757 1143 E HN 0.053 nan 8.360 nan 0.000 0.448 1144 D N -0.286 120.183 120.400 0.115 0.000 2.117 1144 D HA -0.108 4.533 4.640 0.001 0.000 0.197 1144 D C 1.784 178.139 176.300 0.092 0.000 0.987 1144 D CA 1.444 55.496 54.000 0.087 0.000 0.829 1144 D CB -0.501 40.338 40.800 0.064 0.000 0.961 1144 D HN 0.313 nan 8.370 nan 0.000 0.460 1145 A N 0.999 123.893 122.820 0.122 0.000 1.908 1145 A HA -0.244 4.077 4.320 0.001 0.000 0.218 1145 A C 2.069 179.707 177.584 0.090 0.000 1.181 1145 A CA 1.921 54.029 52.037 0.120 0.000 0.627 1145 A CB -0.541 18.538 19.000 0.131 0.000 0.818 1145 A HN 0.196 nan 8.150 nan 0.000 0.445 1146 K N -0.452 119.992 120.400 0.073 0.000 2.032 1146 K HA -0.191 4.130 4.320 0.001 0.000 0.209 1146 K C 2.302 178.930 176.600 0.047 0.000 1.048 1146 K CA 1.609 57.927 56.287 0.052 0.000 0.927 1146 K CB -0.207 32.318 32.500 0.043 0.000 0.712 1146 K HN 0.459 nan 8.250 nan 0.000 0.441 1147 R N 0.342 120.871 120.500 0.049 0.000 2.073 1147 R HA -0.073 4.268 4.340 0.001 0.000 0.234 1147 R C 2.469 178.800 176.300 0.052 0.000 1.134 1147 R CA 1.570 57.695 56.100 0.041 0.000 0.952 1147 R CB -0.358 29.964 30.300 0.036 0.000 0.850 1147 R HN 0.217 nan 8.270 nan 0.000 0.433 1148 L N 0.159 121.423 121.223 0.069 0.000 2.141 1148 L HA -0.140 4.201 4.340 0.001 0.000 0.209 1148 L C 2.537 179.464 176.870 0.095 0.000 1.094 1148 L CA 1.251 56.144 54.840 0.089 0.000 0.763 1148 L CB -0.319 41.806 42.059 0.110 0.000 0.908 1148 L HN 0.144 nan 8.230 nan 0.000 0.437 1149 R N -0.086 120.459 120.500 0.075 0.000 2.090 1149 R HA -0.042 4.298 4.340 0.001 0.000 0.228 1149 R C 2.393 178.719 176.300 0.044 0.000 1.110 1149 R CA 1.169 57.292 56.100 0.039 0.000 0.973 1149 R CB -0.359 29.949 30.300 0.014 0.000 0.869 1149 R HN 0.326 nan 8.270 nan 0.000 0.440 1150 A N 0.866 123.715 122.820 0.048 0.000 2.015 1150 A HA -0.184 4.137 4.320 0.001 0.000 0.219 1150 A C 2.044 179.675 177.584 0.078 0.000 1.163 1150 A CA 0.974 53.041 52.037 0.049 0.000 0.646 1150 A CB -0.294 18.724 19.000 0.029 0.000 0.806 1150 A HN 0.312 nan 8.150 nan 0.000 0.448 1151 Q N -0.352 119.497 119.800 0.082 0.000 2.123 1151 Q HA -0.088 4.252 4.340 0.001 0.000 0.199 1151 Q C 1.909 177.995 176.000 0.144 0.000 0.966 1151 Q CA 1.546 57.418 55.803 0.115 0.000 0.845 1151 Q CB -0.131 28.664 28.738 0.095 0.000 0.907 1151 Q HN 0.399 nan 8.270 nan 0.000 0.439 1152 V N 0.943 120.931 119.914 0.123 0.000 2.295 1152 V HA -0.289 3.832 4.120 0.001 0.000 0.246 1152 V C 2.344 178.511 176.094 0.121 0.000 1.049 1152 V CA 1.876 64.256 62.300 0.133 0.000 1.024 1152 V CB -0.970 30.937 31.823 0.141 0.000 0.648 1152 V HN 0.519 nan 8.190 nan 0.000 0.447 1153 A N -1.204 121.679 122.820 0.106 0.000 1.940 1153 A HA -0.300 4.020 4.320 0.001 0.000 0.219 1153 A C 2.237 179.885 177.584 0.107 0.000 1.176 1153 A CA 2.076 54.166 52.037 0.089 0.000 0.631 1153 A CB -0.886 18.155 19.000 0.069 0.000 0.814 1153 A HN 0.745 nan 8.150 nan 0.000 0.446 1154 H N -0.279 118.810 119.070 0.032 0.000 2.357 1154 H HA -0.087 4.470 4.556 0.001 0.000 0.301 1154 H C 1.952 177.297 175.328 0.028 0.000 1.082 1154 H CA 1.663 57.726 56.048 0.026 0.000 1.342 1154 H CB 0.055 29.830 29.762 0.022 0.000 1.389 1154 H HN 0.653 nan 8.280 nan 0.000 0.511 1155 E N 0.524 120.716 120.200 -0.013 0.000 2.058 1155 E HA -0.196 4.155 4.350 0.001 0.000 0.194 1155 E C 2.472 179.028 176.600 -0.074 0.000 0.997 1155 E CA 1.569 57.926 56.400 -0.072 0.000 0.801 1155 E CB -0.118 29.591 29.700 0.017 0.000 0.746 1155 E HN 0.476 nan 8.360 nan 0.000 0.450 1156 L N 0.028 121.242 121.223 -0.015 0.000 2.217 1156 L HA -0.014 4.327 4.340 0.001 0.000 0.211 1156 L C 1.882 178.765 176.870 0.022 0.000 1.107 1156 L CA 1.890 56.734 54.840 0.007 0.000 0.783 1156 L CB -0.552 41.528 42.059 0.035 0.000 0.919 1156 L HN -0.097 nan 8.230 nan 0.000 0.442 1157 D N 0.534 120.924 120.400 -0.017 0.000 2.084 1157 D HA -0.171 4.470 4.640 0.001 0.000 0.194 1157 D C 1.993 178.288 176.300 -0.009 0.000 0.990 1157 D CA 1.738 55.735 54.000 -0.004 0.000 0.826 1157 D CB -0.068 40.723 40.800 -0.015 0.000 0.971 1157 D HN 0.133 nan 8.370 nan 0.000 0.453 1158 V N 0.349 120.186 119.914 -0.129 0.000 2.343 1158 V HA -0.192 3.929 4.120 0.001 0.000 0.247 1158 V C 2.674 178.724 176.094 -0.074 0.000 1.051 1158 V CA 2.011 64.229 62.300 -0.136 0.000 1.036 1158 V CB -0.648 31.018 31.823 -0.262 0.000 0.654 1158 V HN 0.221 nan 8.190 nan 0.000 0.451 1159 R N -0.805 119.655 120.500 -0.066 0.000 2.096 1159 R HA -0.187 4.153 4.340 0.001 0.000 0.235 1159 R C 2.209 178.482 176.300 -0.046 0.000 1.127 1159 R CA 1.809 57.867 56.100 -0.070 0.000 0.968 1159 R CB -0.374 29.886 30.300 -0.066 0.000 0.861 1159 R HN 0.460 nan 8.270 nan 0.000 0.440 1160 F N 1.378 121.280 119.950 -0.080 0.000 2.186 1160 F HA -0.097 4.432 4.527 0.003 0.000 0.299 1160 F C 1.841 177.617 175.800 -0.040 0.000 1.090 1160 F CA 1.568 59.539 58.000 -0.048 0.000 1.307 1160 F CB 0.099 39.080 39.000 -0.032 0.000 1.019 1160 F HN -0.072 nan 8.300 nan 0.000 0.489 1161 K N -0.329 120.124 120.400 0.087 0.000 2.097 1161 K HA -0.225 4.096 4.320 0.001 0.000 0.206 1161 K C 1.979 178.548 176.600 -0.052 0.000 1.049 1161 K CA 1.516 57.823 56.287 0.033 0.000 0.933 1161 K CB -0.224 32.298 32.500 0.038 0.000 0.717 1161 K HN 0.160 nan 8.250 nan 0.000 0.442 1162 E N 1.496 121.638 120.200 -0.096 0.000 2.072 1162 E HA -0.118 4.232 4.350 0.001 0.000 0.191 1162 E C 1.765 178.218 176.600 -0.246 0.000 0.985 1162 E CA 1.150 57.480 56.400 -0.116 0.000 0.801 1162 E CB -0.231 29.378 29.700 -0.151 0.000 0.750 1162 E HN 0.194 nan 8.360 nan 0.000 0.452 1163 L N 0.389 121.398 121.223 -0.357 0.000 2.083 1163 L HA -0.164 4.176 4.340 0.001 0.000 0.209 1163 L C 2.476 179.167 176.870 -0.298 0.000 1.083 1163 L CA 1.675 56.235 54.840 -0.467 0.000 0.752 1163 L CB -0.519 41.271 42.059 -0.448 0.000 0.899 1163 L HN 0.227 nan 8.230 nan 0.000 0.433 1164 E N -0.738 119.290 120.200 -0.286 0.000 2.077 1164 E HA -0.276 4.075 4.350 0.001 0.000 0.193 1164 E C 2.040 178.601 176.600 -0.064 0.000 0.989 1164 E CA 1.398 57.712 56.400 -0.143 0.000 0.800 1164 E CB -0.190 29.467 29.700 -0.071 0.000 0.746 1164 E HN 0.540 nan 8.360 nan 0.000 0.452 1165 H N 0.935 119.928 119.070 -0.129 0.000 2.321 1165 H HA -0.080 4.476 4.556 0.001 0.000 0.300 1165 H C 1.960 177.218 175.328 -0.116 0.000 1.087 1165 H CA 1.916 57.901 56.048 -0.105 0.000 1.319 1165 H CB -0.279 29.411 29.762 -0.121 0.000 1.379 1165 H HN 0.036 nan 8.280 nan 0.000 0.501 1166 M N -0.005 119.103 119.600 -0.821 0.000 2.144 1166 M HA -0.151 4.329 4.480 0.001 0.000 0.260 1166 M C 2.559 178.682 176.300 -0.294 0.000 1.067 1166 M CA 1.758 56.557 55.300 -0.833 0.000 1.095 1166 M CB -0.311 31.602 32.600 -1.146 0.000 1.365 1166 M HN 0.526 nan 8.290 nan 0.000 0.406 1167 A N -0.295 122.519 122.820 -0.010 0.000 2.066 1167 A HA 0.146 4.467 4.320 0.001 0.000 0.218 1167 A C 2.173 179.762 177.584 0.009 0.000 1.157 1167 A CA 1.576 53.696 52.037 0.139 0.000 0.670 1167 A CB -0.527 18.544 19.000 0.119 0.000 0.804 1167 A HN 0.508 nan 8.150 nan 0.000 0.453 1168 A N -1.593 121.212 122.820 -0.024 0.000 2.197 1168 A HA 0.298 4.619 4.320 0.001 0.000 0.210 1168 A C 1.382 178.991 177.584 0.041 0.000 1.180 1168 A CA 0.884 52.932 52.037 0.020 0.000 0.846 1168 A CB -0.566 18.463 19.000 0.048 0.000 0.884 1168 A HN 0.346 nan 8.150 nan 0.000 0.487 1169 T N 1.158 115.711 114.554 -0.003 0.000 2.855 1169 T HA 0.138 4.489 4.350 0.001 0.000 0.322 1169 T C 0.834 175.634 174.700 0.166 0.000 1.088 1169 T CA 0.890 63.035 62.100 0.075 0.000 1.104 1169 T CB 0.101 68.965 68.868 -0.007 0.000 0.996 1169 T HN 0.615 nan 8.240 nan 0.000 0.549 1170 N N 2.014 120.840 118.700 0.210 0.000 2.197 1170 N HA 0.218 4.958 4.740 0.001 0.000 0.228 1170 N C -0.475 175.121 175.510 0.144 0.000 1.212 1170 N CA -0.219 53.005 53.050 0.290 0.000 0.883 1170 N CB 0.033 38.603 38.487 0.137 0.000 1.107 1170 N HN 0.473 nan 8.380 nan 0.000 0.519 1171 I N 1.880 122.573 120.570 0.205 0.000 2.307 1171 I HA 0.437 4.608 4.170 0.001 0.000 0.289 1171 I C -1.172 175.087 176.117 0.236 0.000 1.021 1171 I CA -0.940 60.397 61.300 0.062 0.000 1.224 1171 I CB 0.086 38.128 38.000 0.070 0.000 1.376 1171 I HN 0.049 nan 8.210 nan 0.000 0.470 1172 F N 2.900 122.864 119.950 0.023 0.000 2.746 1172 F HA 0.503 5.031 4.527 0.001 0.000 0.311 1172 F C -0.662 175.170 175.800 0.053 0.000 1.135 1172 F CA -1.219 56.804 58.000 0.038 0.000 0.954 1172 F CB 0.599 39.617 39.000 0.030 0.000 1.276 1172 F HN 0.259 nan 8.300 nan 0.000 0.440 1173 E N 0.922 121.265 120.200 0.239 0.000 2.620 1173 E HA 0.544 4.895 4.350 0.001 0.000 0.255 1173 E C -0.255 176.503 176.600 0.263 0.000 1.346 1173 E CA -0.589 55.915 56.400 0.172 0.000 1.013 1173 E CB 0.770 30.584 29.700 0.190 0.000 1.131 1173 E HN 0.663 nan 8.360 nan 0.000 0.608 1174 S N -0.429 115.400 115.700 0.215 0.000 2.397 1174 S HA 0.493 4.963 4.470 0.001 0.000 0.261 1174 S C -0.770 174.058 174.600 0.380 0.000 1.187 1174 S CA -0.428 57.923 58.200 0.252 0.000 1.023 1174 S CB 0.260 63.552 63.200 0.154 0.000 1.103 1174 S HN 0.432 nan 8.310 nan 0.000 0.474 1175 F N -0.339 119.693 119.950 0.136 0.000 2.680 1175 F HA 0.531 5.059 4.527 0.002 0.000 0.315 1175 F C -1.858 174.004 175.800 0.103 0.000 1.099 1175 F CA -0.777 57.313 58.000 0.149 0.000 1.033 1175 F CB 0.449 39.562 39.000 0.188 0.000 1.285 1175 F HN 0.605 nan 8.300 nan 0.000 0.457 1176 A N 6.428 128.715 122.820 -0.888 0.000 2.466 1176 A HA 0.658 4.979 4.320 0.001 0.000 0.284 1176 A C -2.544 174.498 177.584 -0.903 0.000 1.049 1176 A CA -1.183 50.389 52.037 -0.774 0.000 0.760 1176 A CB 1.151 19.959 19.000 -0.321 0.000 1.274 1176 A HN 0.536 nan 8.150 nan 0.000 0.412 1177 P HA 0.001 nan 4.420 nan 0.000 0.215 1177 P C 0.780 177.905 177.300 -0.291 0.000 1.163 1177 P CA 2.557 65.377 63.100 -0.467 0.000 0.894 1177 P CB 0.332 31.849 31.700 -0.305 0.000 0.791 1178 A N -3.480 119.191 122.820 -0.247 0.000 2.799 1178 A HA 0.629 4.950 4.320 0.001 0.000 0.308 1178 A C -0.942 176.557 177.584 -0.142 0.000 1.108 1178 A CA -0.075 51.855 52.037 -0.179 0.000 0.600 1178 A CB 0.459 19.372 19.000 -0.145 0.000 1.452 1178 A HN 0.416 nan 8.150 nan 0.000 0.617 1179 G N -2.096 106.641 108.800 -0.104 0.000 3.226 1179 G HA2 0.649 4.609 3.960 0.001 0.000 0.685 1179 G HA3 0.649 4.609 3.960 0.001 0.000 0.685 1179 G C 0.557 175.417 174.900 -0.067 0.000 1.207 1179 G CA 0.875 45.927 45.100 -0.079 0.000 0.877 1179 G HN 3.004 nan 8.290 nan 0.000 0.585 1180 G N 1.795 110.565 108.800 -0.049 0.000 2.214 1180 G HA2 0.318 4.279 3.960 0.001 0.000 0.200 1180 G HA3 0.318 4.279 3.960 0.001 0.000 0.200 1180 G C 0.920 175.802 174.900 -0.031 0.000 1.126 1180 G CA 1.086 46.162 45.100 -0.040 0.000 1.284 1180 G HN 1.947 nan 8.290 nan 0.000 0.493 1181 K N -1.068 119.313 120.400 -0.032 0.000 8.070 1181 K HA -0.072 4.248 4.320 0.001 0.000 0.487 1181 K C 0.998 177.588 176.600 -0.016 0.000 0.363 1181 K CA 2.337 58.609 56.287 -0.025 0.000 1.957 1181 K CB -1.837 30.650 32.500 -0.021 0.000 0.676 1181 K HN 2.824 nan 8.250 nan 0.000 0.908 1182 A N 1.466 124.278 122.820 -0.014 0.000 2.434 1182 A HA -0.117 4.204 4.320 0.001 0.000 0.686 1182 A C -0.453 177.127 177.584 -0.006 0.000 0.138 1182 A CA 0.786 52.817 52.037 -0.010 0.000 0.027 1182 A CB -0.574 18.420 19.000 -0.011 0.000 3.972 1182 A HN 0.449 nan 8.150 nan 0.000 0.548 1183 D N 0.990 121.387 120.400 -0.005 0.000 2.385 1183 D HA 0.482 5.123 4.640 0.001 0.000 0.260 1183 D C 0.773 177.070 176.300 -0.004 0.000 1.326 1183 D CA 2.423 56.421 54.000 -0.003 0.000 1.023 1183 D CB -0.112 40.686 40.800 -0.003 0.000 1.083 1183 D HN 1.658 nan 8.370 nan 0.000 0.517 1184 G N 0.674 109.472 108.800 -0.003 0.000 2.356 1184 G HA2 0.432 4.393 3.960 0.001 0.000 0.300 1184 G HA3 0.432 4.393 3.960 0.001 0.000 0.300 1184 G C -1.201 173.698 174.900 -0.002 0.000 1.331 1184 G CA -0.266 44.832 45.100 -0.004 0.000 0.905 1184 G HN 0.761 nan 8.290 nan 0.000 0.587 1185 S N -2.499 113.199 115.700 -0.002 0.000 2.615 1185 S HA 0.868 5.339 4.470 0.001 0.000 0.268 1185 S C -1.728 172.872 174.600 -0.001 0.000 1.146 1185 S CA -0.071 58.130 58.200 0.002 0.000 0.818 1185 S CB 1.684 64.888 63.200 0.005 0.000 1.111 1185 S HN 2.331 nan 8.310 nan 0.000 0.465 1186 V N 0.801 120.718 119.914 0.005 0.000 2.932 1186 V HA 0.594 4.715 4.120 0.001 0.000 0.307 1186 V C -1.423 174.669 176.094 -0.003 0.000 1.147 1186 V CA -0.513 61.784 62.300 -0.004 0.000 0.951 1186 V CB 1.896 33.719 31.823 0.000 0.000 1.031 1186 V HN 1.193 nan 8.190 nan 0.000 0.426 1187 D N 3.095 123.465 120.400 -0.051 0.000 2.372 1187 D HA 0.198 4.839 4.640 0.001 0.000 0.243 1187 D C 1.069 177.301 176.300 -0.113 0.000 1.121 1187 D CA 0.225 54.150 54.000 -0.125 0.000 0.898 1187 D CB 0.832 41.490 40.800 -0.237 0.000 1.202 1187 D HN 0.513 nan 8.370 nan 0.000 0.428 1188 F N 1.079 121.030 119.950 0.001 0.000 2.408 1188 F HA 0.188 4.716 4.527 0.001 0.000 0.300 1188 F C 1.697 177.502 175.800 0.009 0.000 1.090 1188 F CA 0.473 58.475 58.000 0.004 0.000 1.427 1188 F CB -0.497 38.504 39.000 0.003 0.000 1.070 1188 F HN 0.291 nan 8.300 nan 0.000 0.549 1189 G N -0.129 108.417 108.800 -0.423 0.000 2.986 1189 G HA2 0.038 3.999 3.960 0.001 0.000 0.213 1189 G HA3 0.038 3.999 3.960 0.001 0.000 0.213 1189 G C 0.204 175.043 174.900 -0.102 0.000 1.156 1189 G CA -0.398 44.581 45.100 -0.202 0.000 0.763 1189 G HN 0.377 nan 8.290 nan 0.000 0.547 1190 E N 0.566 120.702 120.200 -0.107 0.000 2.493 1190 E HA 0.319 4.670 4.350 0.001 0.000 0.255 1190 E C 1.293 177.880 176.600 -0.022 0.000 0.999 1190 E CA 0.529 56.892 56.400 -0.062 0.000 0.934 1190 E CB 0.350 30.017 29.700 -0.055 0.000 0.940 1190 E HN 0.271 nan 8.360 nan 0.000 0.473 1191 G N 2.544 111.331 108.800 -0.021 0.000 2.155 1191 G HA2 -0.342 3.619 3.960 0.001 0.000 0.257 1191 G HA3 -0.342 3.619 3.960 0.001 0.000 0.257 1191 G C 0.388 175.295 174.900 0.012 0.000 0.983 1191 G CA 0.087 45.183 45.100 -0.007 0.000 0.676 1191 G HN 0.775 nan 8.290 nan 0.000 0.528 1192 A N -0.499 122.335 122.820 0.024 0.000 2.425 1192 A HA 0.650 4.971 4.320 0.001 0.000 0.249 1192 A C 1.176 178.794 177.584 0.055 0.000 1.084 1192 A CA 1.010 53.087 52.037 0.066 0.000 0.781 1192 A CB 0.337 19.394 19.000 0.095 0.000 1.019 1192 A HN 0.339 nan 8.150 nan 0.000 0.490 1193 E N 0.531 120.793 120.200 0.103 0.000 2.208 1193 E HA 0.083 4.434 4.350 0.001 0.000 0.193 1193 E C -0.573 175.924 176.600 -0.171 0.000 0.988 1193 E CA 1.161 57.563 56.400 0.002 0.000 0.828 1193 E CB -0.084 29.680 29.700 0.107 0.000 0.763 1193 E HN 0.624 nan 8.360 nan 0.000 0.478 1194 F N -1.260 118.698 119.950 0.013 0.000 2.611 1194 F HA 0.338 4.865 4.527 0.001 0.000 0.324 1194 F C 0.079 175.891 175.800 0.019 0.000 1.061 1194 F CA -1.714 56.294 58.000 0.014 0.000 0.954 1194 F CB 0.783 39.792 39.000 0.015 0.000 1.301 1194 F HN -0.288 nan 8.300 nan 0.000 0.482 1195 c N 1.150 119.873 118.600 0.206 0.000 2.597 1195 c HA 0.251 4.822 4.570 0.001 0.000 0.412 1195 c C 1.588 175.765 174.090 0.146 0.000 1.348 1195 c CA 0.333 56.738 56.329 0.126 0.000 1.769 1195 c CB -0.485 42.084 42.510 0.099 0.000 2.641 1195 c HN 0.945 nan 8.230 nan 0.000 0.612 1196 T N -0.652 113.980 114.554 0.130 0.000 3.044 1196 T HA 0.228 4.579 4.350 0.001 0.000 0.260 1196 T C 0.412 175.245 174.700 0.223 0.000 1.019 1196 T CA -0.041 62.179 62.100 0.199 0.000 0.921 1196 T CB 0.203 69.230 68.868 0.266 0.000 1.053 1196 T HN 0.737 nan 8.240 nan 0.000 0.533 1197 R N 1.693 122.274 120.500 0.136 0.000 2.795 1197 R HA 0.557 4.898 4.340 0.001 0.000 0.275 1197 R C -1.121 175.224 176.300 0.074 0.000 0.981 1197 R CA -0.831 55.339 56.100 0.117 0.000 0.917 1197 R CB 1.437 31.789 30.300 0.086 0.000 1.202 1197 R HN 0.328 nan 8.270 nan 0.000 0.469 1198 D N -0.653 119.783 120.400 0.060 0.000 2.511 1198 D HA 0.069 4.709 4.640 0.001 0.000 0.276 1198 D C -0.183 176.135 176.300 0.031 0.000 1.220 1198 D CA -0.478 53.547 54.000 0.042 0.000 1.077 1198 D CB 0.516 41.336 40.800 0.033 0.000 1.126 1198 D HN 0.288 nan 8.370 nan 0.000 0.583 1199 D N -0.875 119.539 120.400 0.024 0.000 2.538 1199 D HA 0.123 4.764 4.640 0.001 0.000 0.234 1199 D C -0.209 176.100 176.300 0.014 0.000 1.191 1199 D CA 0.050 54.061 54.000 0.018 0.000 0.828 1199 D CB -0.149 40.661 40.800 0.016 0.000 0.981 1199 D HN 0.224 nan 8.370 nan 0.000 0.490 1200 T N 1.331 115.894 114.554 0.015 0.000 2.928 1200 T HA 0.232 4.582 4.350 0.001 0.000 0.284 1200 T C -1.420 173.284 174.700 0.007 0.000 1.008 1200 T CA -1.341 60.765 62.100 0.010 0.000 1.057 1200 T CB 2.279 71.153 68.868 0.010 0.000 1.018 1200 T HN -0.049 nan 8.240 nan 0.000 0.493 1201 P HA 0.090 nan 4.420 nan 0.000 0.241 1201 P C 1.181 178.479 177.300 -0.004 0.000 1.191 1201 P CA 0.661 63.759 63.100 -0.003 0.000 0.771 1201 P CB 0.147 31.842 31.700 -0.009 0.000 0.929 1202 M N -1.359 118.240 119.600 -0.001 0.000 2.288 1202 M HA 0.062 4.542 4.480 0.001 0.000 0.266 1202 M C 2.091 178.398 176.300 0.012 0.000 1.072 1202 M CA 1.487 56.786 55.300 -0.001 0.000 1.132 1202 M CB -0.342 32.257 32.600 -0.003 0.000 1.386 1202 M HN -0.119 nan 8.290 nan 0.000 0.432 1203 M N -0.270 119.342 119.600 0.020 0.000 2.495 1203 M HA 0.200 4.681 4.480 0.001 0.000 0.237 1203 M C 0.537 176.854 176.300 0.027 0.000 1.131 1203 M CA -0.298 55.024 55.300 0.037 0.000 1.032 1203 M CB 0.044 32.676 32.600 0.053 0.000 1.513 1203 M HN 0.076 nan 8.290 nan 0.000 0.488 1204 A N 2.065 124.893 122.820 0.013 0.000 2.511 1204 A HA 0.367 4.688 4.320 0.001 0.000 0.242 1204 A C 0.185 177.769 177.584 0.001 0.000 1.069 1204 A CA 0.331 52.371 52.037 0.005 0.000 0.763 1204 A CB 0.291 19.291 19.000 -0.000 0.000 1.001 1204 A HN 0.334 nan 8.150 nan 0.000 0.498 1205 R N 1.665 122.162 120.500 -0.005 0.000 2.799 1205 R HA 0.362 4.703 4.340 0.001 0.000 0.270 1205 R C -2.337 173.953 176.300 -0.016 0.000 1.010 1205 R CA -1.823 54.271 56.100 -0.010 0.000 0.916 1205 R CB 0.327 30.619 30.300 -0.014 0.000 1.228 1205 R HN 0.366 nan 8.270 nan 0.000 0.469 1206 P HA -0.147 nan 4.420 nan 0.000 0.216 1206 P C 0.116 177.403 177.300 -0.023 0.000 1.154 1206 P CA 1.419 64.508 63.100 -0.018 0.000 0.865 1206 P CB 0.296 31.985 31.700 -0.018 0.000 0.789 1207 D N -1.410 118.973 120.400 -0.030 0.000 2.342 1207 D HA 0.049 4.690 4.640 0.001 0.000 0.221 1207 D C 0.648 176.924 176.300 -0.039 0.000 1.101 1207 D CA 0.297 54.275 54.000 -0.036 0.000 0.837 1207 D CB 0.046 40.819 40.800 -0.045 0.000 0.938 1207 D HN 0.272 nan 8.370 nan 0.000 0.508 1208 S N -1.327 114.354 115.700 -0.033 0.000 2.669 1208 S HA 0.565 5.035 4.470 0.001 0.000 0.270 1208 S C 1.253 175.840 174.600 -0.021 0.000 1.225 1208 S CA 0.236 58.418 58.200 -0.030 0.000 0.991 1208 S CB 2.267 65.455 63.200 -0.021 0.000 0.987 1208 S HN 0.208 nan 8.310 nan 0.000 0.552 1209 G N -0.372 108.418 108.800 -0.017 0.000 2.229 1209 G HA2 -0.186 3.774 3.960 0.001 0.000 0.189 1209 G HA3 -0.186 3.774 3.960 0.001 0.000 0.189 1209 G C -0.185 174.706 174.900 -0.015 0.000 1.000 1209 G CA -0.004 45.088 45.100 -0.013 0.000 0.663 1209 G HN 1.014 nan 8.290 nan 0.000 0.493 1210 E N 1.142 121.330 120.200 -0.020 0.000 2.373 1210 E HA 0.617 4.968 4.350 0.001 0.000 0.267 1210 E C 1.020 177.609 176.600 -0.019 0.000 1.032 1210 E CA 0.066 56.453 56.400 -0.022 0.000 0.889 1210 E CB 0.744 30.427 29.700 -0.029 0.000 0.984 1210 E HN 0.800 nan 8.360 nan 0.000 0.425 1211 A N 2.970 125.778 122.820 -0.020 0.000 2.466 1211 A HA 0.383 4.704 4.320 0.001 0.000 0.238 1211 A C -0.175 177.393 177.584 -0.027 0.000 1.074 1211 A CA 0.126 52.151 52.037 -0.020 0.000 0.774 1211 A CB -0.407 18.580 19.000 -0.023 0.000 1.015 1211 A HN 0.858 nan 8.150 nan 0.000 0.498 1212 c N -0.268 118.317 118.600 -0.025 0.000 3.275 1212 c HA 0.587 5.158 4.570 0.001 0.000 0.340 1212 c C -0.869 173.200 174.090 -0.035 0.000 1.366 1212 c CA -1.059 55.247 56.329 -0.038 0.000 1.227 1212 c CB 0.944 43.447 42.510 -0.012 0.000 1.512 1212 c HN 0.848 nan 8.230 nan 0.000 0.461 1213 D N 0.809 121.158 120.400 -0.085 0.000 2.339 1213 D HA 0.128 4.769 4.640 0.001 0.000 0.256 1213 D C 0.372 176.744 176.300 0.120 0.000 1.214 1213 D CA 0.711 54.674 54.000 -0.063 0.000 0.877 1213 D CB 1.191 41.781 40.800 -0.351 0.000 1.111 1213 D HN 0.744 nan 8.370 nan 0.000 0.478 1214 Q N 3.119 122.991 119.800 0.120 0.000 2.247 1214 Q HA 0.042 4.383 4.340 0.001 0.000 0.205 1214 Q C -0.170 175.923 176.000 0.156 0.000 0.896 1214 Q CA -0.085 55.798 55.803 0.133 0.000 0.950 1214 Q CB -0.048 28.734 28.738 0.073 0.000 1.054 1214 Q HN 0.501 nan 8.270 nan 0.000 0.482 1215 N N 0.252 119.105 118.700 0.254 0.000 2.782 1215 N HA -0.198 4.543 4.740 0.001 0.000 0.251 1215 N C -0.263 175.302 175.510 0.093 0.000 1.101 1215 N CA 0.874 54.027 53.050 0.171 0.000 0.764 1215 N CB -0.647 37.865 38.487 0.041 0.000 1.122 1215 N HN 0.425 nan 8.380 nan 0.000 0.561 1216 R N -0.188 120.366 120.500 0.091 0.000 2.393 1216 R HA 0.305 4.646 4.340 0.001 0.000 0.244 1216 R C 1.366 177.698 176.300 0.054 0.000 0.920 1216 R CA 0.746 56.879 56.100 0.055 0.000 1.076 1216 R CB 0.541 30.867 30.300 0.043 0.000 1.119 1216 R HN 0.224 nan 8.270 nan 0.000 0.524 1217 A N 0.386 123.252 122.820 0.077 0.000 2.545 1217 A HA 0.474 4.794 4.320 0.001 0.000 0.263 1217 A C 0.583 178.212 177.584 0.074 0.000 1.202 1217 A CA 0.208 52.285 52.037 0.066 0.000 0.959 1217 A CB 0.660 19.697 19.000 0.061 0.000 1.124 1217 A HN 0.317 nan 8.150 nan 0.000 0.543 1218 G N -1.001 107.847 108.800 0.080 0.000 2.655 1218 G HA2 0.126 4.087 3.960 0.001 0.000 0.680 1218 G HA3 0.126 4.087 3.960 0.001 0.000 0.680 1218 G C 0.073 175.035 174.900 0.103 0.000 1.302 1218 G CA -0.237 44.901 45.100 0.063 0.000 0.872 1218 G HN 0.974 nan 8.290 nan 0.000 0.540 1219 T N -0.792 113.795 114.554 0.055 0.000 2.701 1219 T HA 0.438 4.788 4.350 0.001 0.000 0.303 1219 T C 2.116 176.920 174.700 0.173 0.000 1.030 1219 T CA 1.003 63.143 62.100 0.067 0.000 1.010 1219 T CB 0.409 69.281 68.868 0.007 0.000 1.007 1219 T HN 1.165 nan 8.240 nan 0.000 0.532 1220 S N 1.046 116.889 115.700 0.238 0.000 2.359 1220 S HA -0.128 4.343 4.470 0.001 0.000 0.224 1220 S C 2.055 176.715 174.600 0.101 0.000 1.035 1220 S CA 1.576 59.899 58.200 0.206 0.000 1.018 1220 S CB -0.305 63.019 63.200 0.207 0.000 0.876 1220 S HN 0.864 nan 8.310 nan 0.000 0.448 1221 E N 1.636 121.880 120.200 0.073 0.000 2.107 1221 E HA -0.183 4.168 4.350 0.001 0.000 0.191 1221 E C 1.823 178.445 176.600 0.037 0.000 0.982 1221 E CA 0.912 57.338 56.400 0.044 0.000 0.809 1221 E CB -0.591 29.127 29.700 0.031 0.000 0.756 1221 E HN 0.576 nan 8.360 nan 0.000 0.459 1222 Q N 0.632 120.456 119.800 0.041 0.000 2.124 1222 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 1222 Q C 2.387 178.408 176.000 0.035 0.000 0.977 1222 Q CA 1.668 57.490 55.803 0.032 0.000 0.850 1222 Q CB -0.093 28.663 28.738 0.030 0.000 0.901 1222 Q HN 0.436 nan 8.270 nan 0.000 0.429 1223 Q N -0.525 119.304 119.800 0.050 0.000 2.079 1223 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 1223 Q C 2.204 178.220 176.000 0.027 0.000 0.974 1223 Q CA 1.235 57.063 55.803 0.042 0.000 0.840 1223 Q CB -0.226 28.545 28.738 0.055 0.000 0.898 1223 Q HN 0.489 nan 8.270 nan 0.000 0.430 1224 G N 0.907 109.724 108.800 0.028 0.000 2.422 1224 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 1224 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 1224 G C 0.960 175.868 174.900 0.014 0.000 1.146 1224 G CA 1.193 46.304 45.100 0.018 0.000 0.769 1224 G HN 0.356 nan 8.290 nan 0.000 0.547 1225 D N -0.184 120.226 120.400 0.016 0.000 2.117 1225 D HA -0.085 4.555 4.640 0.001 0.000 0.198 1225 D C 2.302 178.608 176.300 0.010 0.000 0.982 1225 D CA 0.556 54.563 54.000 0.012 0.000 0.828 1225 D CB -0.211 40.596 40.800 0.013 0.000 0.967 1225 D HN 0.142 nan 8.370 nan 0.000 0.464 1226 L N 0.145 121.376 121.223 0.013 0.000 2.046 1226 L HA -0.085 4.256 4.340 0.001 0.000 0.208 1226 L C 2.274 179.148 176.870 0.008 0.000 1.077 1226 L CA 1.891 56.737 54.840 0.011 0.000 0.747 1226 L CB -1.194 40.873 42.059 0.013 0.000 0.896 1226 L HN 0.063 nan 8.230 nan 0.000 0.432 1227 S N -0.700 115.004 115.700 0.008 0.000 2.359 1227 S HA -0.289 4.182 4.470 0.001 0.000 0.224 1227 S C 2.224 176.826 174.600 0.003 0.000 1.035 1227 S CA 1.831 60.034 58.200 0.004 0.000 1.018 1227 S CB -0.390 62.812 63.200 0.003 0.000 0.876 1227 S HN 0.582 nan 8.310 nan 0.000 0.448 1228 K N 0.395 120.798 120.400 0.004 0.000 2.026 1228 K HA -0.045 4.276 4.320 0.001 0.000 0.208 1228 K C 2.262 178.864 176.600 0.003 0.000 1.048 1228 K CA 1.175 57.464 56.287 0.003 0.000 0.929 1228 K CB -0.203 32.300 32.500 0.004 0.000 0.713 1228 K HN 0.313 nan 8.250 nan 0.000 0.439 1229 R N -0.034 120.468 120.500 0.004 0.000 2.285 1229 R HA -0.055 4.286 4.340 0.001 0.000 0.213 1229 R C 1.975 178.277 176.300 0.003 0.000 1.068 1229 R CA 1.530 57.632 56.100 0.003 0.000 1.004 1229 R CB 0.024 30.327 30.300 0.004 0.000 0.873 1229 R HN 0.505 nan 8.270 nan 0.000 0.467 1230 T N -2.344 112.212 114.554 0.003 0.000 3.114 1230 T HA 0.058 4.409 4.350 0.001 0.000 0.240 1230 T C 1.298 175.999 174.700 0.001 0.000 0.983 1230 T CA 0.336 62.438 62.100 0.002 0.000 1.151 1230 T CB 0.174 69.044 68.868 0.003 0.000 0.974 1230 T HN 0.223 nan 8.240 nan 0.000 0.442 1231 K N 1.272 121.672 120.400 0.001 0.000 6.244 1231 K HA -0.416 3.905 4.320 0.001 0.000 0.320 1231 K C 0.164 176.763 176.600 -0.001 0.000 0.632 1231 K CA 1.872 58.159 56.287 -0.000 0.000 1.101 1231 K CB -1.861 30.639 32.500 -0.000 0.000 0.782 1231 K HN 0.472 nan 8.250 nan 0.000 0.907 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543