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 2c3u_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 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.914 174.900 0.023 0.000 0.946 2 G CA 0.000 45.112 45.100 0.020 0.000 0.502 3 K N -0.061 120.343 120.400 0.006 0.000 2.118 3 K HA 0.687 5.008 4.320 0.001 0.000 0.254 3 K C -0.529 176.050 176.600 -0.034 0.000 0.961 3 K CA -0.770 55.511 56.287 -0.010 0.000 0.876 3 K CB 2.242 34.735 32.500 -0.011 0.000 1.077 3 K HN 0.471 nan 8.250 nan 0.000 0.440 4 K N 2.740 123.101 120.400 -0.064 0.000 2.581 4 K HA 0.239 4.559 4.320 0.001 0.000 0.249 4 K C -1.050 175.487 176.600 -0.105 0.000 0.966 4 K CA -0.580 55.660 56.287 -0.079 0.000 0.811 4 K CB 1.012 33.463 32.500 -0.081 0.000 1.223 4 K HN 0.454 nan 8.250 nan 0.000 0.438 5 M N 5.799 125.350 119.600 -0.082 0.000 2.217 5 M HA 0.262 4.742 4.480 0.001 0.000 0.352 5 M C -0.098 176.155 176.300 -0.080 0.000 1.376 5 M CA 0.252 55.504 55.300 -0.080 0.000 1.107 5 M CB 0.223 32.783 32.600 -0.066 0.000 1.723 5 M HN 0.800 nan 8.290 nan 0.000 0.461 6 M N 1.980 121.531 119.600 -0.082 0.000 2.520 6 M HA 0.607 5.087 4.480 0.001 0.000 0.280 6 M C -0.834 175.444 176.300 -0.037 0.000 1.232 6 M CA -0.708 54.553 55.300 -0.065 0.000 0.892 6 M CB 2.541 35.083 32.600 -0.096 0.000 1.728 6 M HN 0.565 nan 8.290 nan 0.000 0.475 7 T N 0.507 115.056 114.554 -0.009 0.000 2.756 7 T HA 0.846 5.196 4.350 0.001 0.000 0.290 7 T C -0.291 174.422 174.700 0.022 0.000 0.985 7 T CA 0.207 62.317 62.100 0.017 0.000 0.955 7 T CB 0.745 69.638 68.868 0.041 0.000 0.930 7 T HN 1.045 nan 8.240 nan 0.000 0.451 8 T N 0.368 114.937 114.554 0.025 0.000 2.665 8 T HA 0.638 4.988 4.350 0.001 0.000 0.303 8 T C -1.443 173.281 174.700 0.041 0.000 1.334 8 T CA -0.929 61.191 62.100 0.034 0.000 1.011 8 T CB 1.257 70.144 68.868 0.031 0.000 1.573 8 T HN 0.686 nan 8.240 nan 0.000 0.492 9 D N -0.886 119.536 120.400 0.036 0.000 2.442 9 D HA 0.529 5.170 4.640 0.001 0.000 0.254 9 D C 1.659 177.965 176.300 0.010 0.000 1.069 9 D CA -0.271 53.755 54.000 0.043 0.000 1.017 9 D CB 0.181 41.004 40.800 0.040 0.000 1.172 9 D HN 0.783 nan 8.370 nan 0.000 0.561 10 G N -0.294 108.514 108.800 0.013 0.000 2.469 10 G HA2 -0.354 3.606 3.960 0.001 0.000 0.219 10 G HA3 -0.354 3.606 3.960 0.001 0.000 0.219 10 G C 1.237 176.033 174.900 -0.174 0.000 1.150 10 G CA 0.950 45.962 45.100 -0.147 0.000 0.763 10 G HN 0.641 nan 8.290 nan 0.000 0.561 11 N N -0.338 118.389 118.700 0.045 0.000 2.013 11 N HA -0.162 4.578 4.740 0.001 0.000 0.195 11 N C 2.471 177.985 175.510 0.006 0.000 1.051 11 N CA 1.997 55.097 53.050 0.083 0.000 0.851 11 N CB -0.283 38.187 38.487 -0.029 0.000 1.044 11 N HN 0.387 nan 8.380 nan 0.000 0.422 12 T N -0.698 113.856 114.554 -0.000 0.000 2.962 12 T HA 0.053 4.403 4.350 0.001 0.000 0.270 12 T C 1.766 176.578 174.700 0.187 0.000 1.088 12 T CA 1.030 63.184 62.100 0.091 0.000 1.127 12 T CB -0.226 68.716 68.868 0.122 0.000 0.883 12 T HN 0.238 nan 8.240 nan 0.000 0.493 13 A N 1.197 124.073 122.820 0.093 0.000 1.898 13 A HA -0.009 4.311 4.320 0.001 0.000 0.216 13 A C 2.726 180.410 177.584 0.167 0.000 1.181 13 A CA 2.350 54.458 52.037 0.118 0.000 0.620 13 A CB -1.472 17.553 19.000 0.041 0.000 0.819 13 A HN 0.687 nan 8.150 nan 0.000 0.442 14 T N -2.020 112.566 114.554 0.054 0.000 2.942 14 T HA 0.195 4.545 4.350 0.001 0.000 0.265 14 T C 1.893 176.644 174.700 0.085 0.000 1.062 14 T CA 1.527 63.660 62.100 0.054 0.000 1.139 14 T CB -0.383 68.524 68.868 0.066 0.000 0.883 14 T HN 0.498 nan 8.240 nan 0.000 0.468 15 A N 1.290 124.185 122.820 0.125 0.000 1.972 15 A HA -0.116 4.204 4.320 0.001 0.000 0.219 15 A C 2.313 180.196 177.584 0.499 0.000 1.169 15 A CA 1.689 53.825 52.037 0.165 0.000 0.635 15 A CB -1.274 17.677 19.000 -0.082 0.000 0.810 15 A HN 0.811 nan 8.150 nan 0.000 0.446 16 H N 0.145 119.476 119.070 0.436 0.000 2.319 16 H HA -0.128 4.428 4.556 0.000 0.000 0.299 16 H C 1.955 177.446 175.328 0.273 0.000 1.092 16 H CA 2.355 58.633 56.048 0.383 0.000 1.302 16 H CB -0.105 29.817 29.762 0.266 0.000 1.373 16 H HN 0.248 nan 8.280 nan 0.000 0.497 17 V N 1.335 121.355 119.914 0.176 0.000 2.323 17 V HA -0.193 3.928 4.120 0.001 0.000 0.244 17 V C 3.154 179.146 176.094 -0.171 0.000 1.041 17 V CA 1.464 63.713 62.300 -0.084 0.000 1.025 17 V CB -1.262 30.492 31.823 -0.114 0.000 0.656 17 V HN 0.588 nan 8.190 nan 0.000 0.451 18 A N -0.828 122.005 122.820 0.021 0.000 1.908 18 A HA -0.308 4.013 4.320 0.001 0.000 0.218 18 A C 2.171 179.819 177.584 0.107 0.000 1.181 18 A CA 2.318 54.433 52.037 0.131 0.000 0.627 18 A CB -0.857 18.416 19.000 0.456 0.000 0.818 18 A HN 0.642 nan 8.150 nan 0.000 0.445 19 Y N 0.386 120.766 120.300 0.133 0.000 2.145 19 Y HA -0.127 4.424 4.550 0.001 0.000 0.286 19 Y C 2.717 178.572 175.900 -0.076 0.000 1.145 19 Y CA 1.609 59.813 58.100 0.173 0.000 1.148 19 Y CB -0.437 38.276 38.460 0.421 0.000 0.981 19 Y HN 0.319 nan 8.280 nan 0.000 0.507 20 A N -0.184 122.478 122.820 -0.264 0.000 1.933 20 A HA -0.176 4.144 4.320 0.001 0.000 0.218 20 A C 1.936 179.215 177.584 -0.507 0.000 1.175 20 A CA 1.915 53.515 52.037 -0.729 0.000 0.628 20 A CB -0.521 17.438 19.000 -1.735 0.000 0.814 20 A HN 0.488 nan 8.150 nan 0.000 0.444 21 M N 0.186 119.495 119.600 -0.484 0.000 2.561 21 M HA 0.182 4.663 4.480 0.001 0.000 0.238 21 M C -0.040 176.160 176.300 -0.168 0.000 1.131 21 M CA 0.328 55.368 55.300 -0.433 0.000 1.046 21 M CB -0.823 31.310 32.600 -0.779 0.000 1.532 21 M HN 0.194 nan 8.290 nan 0.000 0.497 22 S N -0.206 115.435 115.700 -0.098 0.000 2.600 22 S HA 0.425 4.895 4.470 0.001 0.000 0.300 22 S C 0.702 175.340 174.600 0.062 0.000 1.087 22 S CA -0.752 57.479 58.200 0.050 0.000 0.965 22 S CB 2.479 65.727 63.200 0.079 0.000 1.089 22 S HN 0.228 nan 8.310 nan 0.000 0.496 23 E N -0.028 120.228 120.200 0.095 0.000 2.330 23 E HA 0.217 4.567 4.350 0.001 0.000 0.200 23 E C -0.377 176.240 176.600 0.029 0.000 0.922 23 E CA 0.334 56.770 56.400 0.059 0.000 0.935 23 E CB 0.529 30.237 29.700 0.014 0.000 0.917 23 E HN 0.255 nan 8.360 nan 0.000 0.491 24 V N 0.679 120.622 119.914 0.048 0.000 2.823 24 V HA 0.721 4.841 4.120 0.001 0.000 0.312 24 V C -1.119 175.007 176.094 0.054 0.000 1.072 24 V CA -0.920 61.409 62.300 0.049 0.000 0.937 24 V CB 1.871 33.726 31.823 0.054 0.000 1.013 24 V HN 0.156 nan 8.190 nan 0.000 0.430 25 A N 2.729 125.582 122.820 0.055 0.000 2.437 25 A HA 0.912 5.233 4.320 0.001 0.000 0.293 25 A C -0.605 177.000 177.584 0.035 0.000 1.038 25 A CA -0.154 51.907 52.037 0.040 0.000 0.708 25 A CB 1.602 20.666 19.000 0.106 0.000 1.251 25 A HN 1.480 nan 8.150 nan 0.000 0.409 26 A N 2.276 125.091 122.820 -0.008 0.000 2.287 26 A HA 0.785 5.105 4.320 0.001 0.000 0.317 26 A C -0.716 176.845 177.584 -0.038 0.000 1.220 26 A CA -0.310 51.721 52.037 -0.010 0.000 0.835 26 A CB 0.373 19.370 19.000 -0.005 0.000 1.180 26 A HN 1.434 nan 8.150 nan 0.000 0.500 27 I N 1.252 121.805 120.570 -0.028 0.000 3.145 27 I HA 0.795 4.966 4.170 0.001 0.000 0.313 27 I C -1.750 174.375 176.117 0.015 0.000 1.122 27 I CA -1.279 60.011 61.300 -0.017 0.000 0.987 27 I CB 2.111 40.130 38.000 0.033 0.000 1.236 27 I HN 0.602 nan 8.210 nan 0.000 0.453 28 Y N 4.749 124.990 120.300 -0.098 0.000 2.482 28 Y HA 0.629 5.179 4.550 0.001 0.000 0.334 28 Y C -2.717 173.188 175.900 0.008 0.000 1.091 28 Y CA -1.945 56.124 58.100 -0.052 0.000 1.027 28 Y CB 2.196 40.653 38.460 -0.005 0.000 1.306 28 Y HN 0.380 nan 8.280 nan 0.000 0.446 29 P HA 0.471 nan 4.420 nan 0.000 0.286 29 P C -1.129 176.117 177.300 -0.091 0.000 1.269 29 P CA -0.067 62.951 63.100 -0.138 0.000 0.787 29 P CB 2.097 33.764 31.700 -0.055 0.000 0.920 30 I N 1.445 122.010 120.570 -0.008 0.000 2.649 30 I HA 0.183 4.353 4.170 0.001 0.000 0.289 30 I C -0.569 175.528 176.117 -0.034 0.000 1.222 30 I CA -0.384 60.908 61.300 -0.013 0.000 1.046 30 I CB 2.193 40.222 38.000 0.049 0.000 1.272 30 I HN 0.161 nan 8.210 nan 0.000 0.425 31 T N 8.762 123.278 114.554 -0.062 0.000 2.940 31 T HA 0.203 4.553 4.350 0.001 0.000 0.309 31 T C -2.086 172.549 174.700 -0.107 0.000 1.056 31 T CA -0.440 61.612 62.100 -0.081 0.000 1.137 31 T CB 0.581 69.409 68.868 -0.067 0.000 0.976 31 T HN 0.494 nan 8.240 nan 0.000 0.547 32 P HA 0.176 nan 4.420 nan 0.000 0.266 32 P C 0.754 177.990 177.300 -0.107 0.000 1.561 32 P CA -0.175 62.747 63.100 -0.296 0.000 1.089 32 P CB 0.100 31.223 31.700 -0.962 0.000 1.534 33 S N -2.104 113.555 115.700 -0.068 0.000 2.524 33 S HA 0.019 4.490 4.470 0.001 0.000 0.216 33 S C 1.811 176.411 174.600 -0.000 0.000 0.987 33 S CA 0.326 58.518 58.200 -0.013 0.000 0.909 33 S CB -0.825 62.393 63.200 0.030 0.000 0.781 33 S HN -0.031 nan 8.310 nan 0.000 0.521 34 S N 2.332 118.028 115.700 -0.006 0.000 2.389 34 S HA -0.167 4.303 4.470 0.001 0.000 0.231 34 S C 1.937 176.509 174.600 -0.047 0.000 1.052 34 S CA 2.075 60.282 58.200 0.010 0.000 1.053 34 S CB -1.144 62.060 63.200 0.007 0.000 0.886 34 S HN 0.754 nan 8.310 nan 0.000 0.456 35 T N 2.651 117.138 114.554 -0.112 0.000 2.699 35 T HA -0.156 4.194 4.350 0.001 0.000 0.268 35 T C 1.771 176.300 174.700 -0.285 0.000 1.036 35 T CA 1.588 63.572 62.100 -0.194 0.000 1.147 35 T CB -0.405 68.328 68.868 -0.225 0.000 0.862 35 T HN 0.398 nan 8.240 nan 0.000 0.446 36 M N 0.706 120.108 119.600 -0.331 0.000 2.065 36 M HA -0.056 4.424 4.480 0.001 0.000 0.259 36 M C 2.870 178.698 176.300 -0.787 0.000 1.069 36 M CA 2.014 56.916 55.300 -0.665 0.000 1.110 36 M CB -1.084 30.958 32.600 -0.929 0.000 1.328 36 M HN 0.402 nan 8.290 nan 0.000 0.405 37 G N 0.230 108.753 108.800 -0.460 0.000 2.418 37 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 37 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 37 G C 1.328 176.266 174.900 0.064 0.000 1.158 37 G CA 0.891 46.025 45.100 0.057 0.000 0.771 37 G HN 0.548 nan 8.290 nan 0.000 0.545 38 E N 0.200 120.334 120.200 -0.109 0.000 2.106 38 E HA -0.083 4.267 4.350 0.001 0.000 0.192 38 E C 2.438 178.762 176.600 -0.461 0.000 0.984 38 E CA 0.747 56.909 56.400 -0.397 0.000 0.806 38 E CB -0.016 29.462 29.700 -0.370 0.000 0.750 38 E HN 0.363 nan 8.360 nan 0.000 0.458 39 E N 0.727 120.588 120.200 -0.565 0.000 2.047 39 E HA -0.164 4.186 4.350 0.001 0.000 0.191 39 E C 2.171 178.061 176.600 -1.183 0.000 0.987 39 E CA 1.009 56.811 56.400 -0.996 0.000 0.799 39 E CB -0.217 28.787 29.700 -1.161 0.000 0.752 39 E HN 0.222 nan 8.360 nan 0.000 0.449 40 A N 1.436 123.858 122.820 -0.663 0.000 1.883 40 A HA -0.258 4.062 4.320 0.001 0.000 0.217 40 A C 2.001 179.636 177.584 0.084 0.000 1.186 40 A CA 2.184 54.174 52.037 -0.079 0.000 0.624 40 A CB -0.728 18.421 19.000 0.248 0.000 0.822 40 A HN 0.264 nan 8.150 nan 0.000 0.444 41 D N -0.688 119.710 120.400 -0.004 0.000 2.117 41 D HA -0.144 4.496 4.640 0.001 0.000 0.197 41 D C 1.316 177.592 176.300 -0.039 0.000 0.987 41 D CA 1.425 55.449 54.000 0.039 0.000 0.829 41 D CB -0.075 40.693 40.800 -0.054 0.000 0.961 41 D HN 0.361 nan 8.370 nan 0.000 0.460 42 D N -0.520 119.762 120.400 -0.197 0.000 2.117 42 D HA -0.135 4.505 4.640 0.001 0.000 0.197 42 D C 1.760 178.083 176.300 0.038 0.000 0.987 42 D CA 0.668 54.588 54.000 -0.132 0.000 0.829 42 D CB -0.324 40.342 40.800 -0.224 0.000 0.961 42 D HN 0.458 nan 8.370 nan 0.000 0.460 43 W N 1.351 122.597 121.300 -0.091 0.000 2.402 43 W HA 0.120 4.781 4.660 0.000 0.000 0.286 43 W C 2.428 178.903 176.519 -0.073 0.000 1.221 43 W CA 0.473 57.697 57.345 -0.201 0.000 1.257 43 W CB -1.195 27.933 29.460 -0.554 0.000 1.120 43 W HN -0.042 nan 8.180 nan 0.000 0.551 44 A N 0.475 123.498 122.820 0.338 0.000 1.897 44 A HA 0.092 4.412 4.320 0.001 0.000 0.215 44 A C 2.239 179.951 177.584 0.214 0.000 1.181 44 A CA 2.258 54.526 52.037 0.385 0.000 0.620 44 A CB -1.060 18.185 19.000 0.408 0.000 0.821 44 A HN 0.084 nan 8.150 nan 0.000 0.443 45 A N -0.611 122.300 122.820 0.151 0.000 2.019 45 A HA -0.185 4.135 4.320 0.001 0.000 0.219 45 A C 1.967 179.613 177.584 0.103 0.000 1.164 45 A CA 1.554 53.647 52.037 0.094 0.000 0.644 45 A CB -0.461 18.569 19.000 0.050 0.000 0.805 45 A HN 0.659 nan 8.150 nan 0.000 0.449 46 Q N -1.666 118.207 119.800 0.122 0.000 2.403 46 Q HA 0.256 4.596 4.340 0.001 0.000 0.203 46 Q C 1.035 177.091 176.000 0.093 0.000 0.932 46 Q CA 0.325 56.191 55.803 0.106 0.000 0.945 46 Q CB 0.120 28.922 28.738 0.108 0.000 1.045 46 Q HN 0.861 nan 8.270 nan 0.000 0.511 47 G N 2.088 110.960 108.800 0.120 0.000 2.136 47 G HA2 -0.327 3.633 3.960 0.001 0.000 0.242 47 G HA3 -0.327 3.633 3.960 0.001 0.000 0.242 47 G C 0.035 175.006 174.900 0.119 0.000 0.989 47 G CA 0.141 45.312 45.100 0.118 0.000 0.682 47 G HN 0.317 nan 8.290 nan 0.000 0.522 48 R N 0.215 120.783 120.500 0.114 0.000 2.590 48 R HA 0.376 4.716 4.340 0.001 0.000 0.274 48 R C -0.025 176.452 176.300 0.296 0.000 1.061 48 R CA 0.003 56.139 56.100 0.060 0.000 1.081 48 R CB 0.323 30.492 30.300 -0.218 0.000 0.984 48 R HN 0.003 nan 8.270 nan 0.000 0.448 49 K N 3.096 123.644 120.400 0.247 0.000 2.159 49 K HA 0.176 4.496 4.320 0.001 0.000 0.266 49 K C -0.218 176.633 176.600 0.418 0.000 0.975 49 K CA -0.858 55.610 56.287 0.302 0.000 0.865 49 K CB 1.323 33.926 32.500 0.172 0.000 1.087 49 K HN 0.697 nan 8.250 nan 0.000 0.446 50 N N 1.055 119.931 118.700 0.293 0.000 2.431 50 N HA 0.110 4.851 4.740 0.001 0.000 0.289 50 N C 1.204 176.707 175.510 -0.011 0.000 1.277 50 N CA -0.567 52.550 53.050 0.111 0.000 0.972 50 N CB 0.056 38.519 38.487 -0.040 0.000 1.143 50 N HN 0.646 nan 8.380 nan 0.000 0.578 51 I N -4.385 116.008 120.570 -0.296 0.000 3.010 51 I HA 0.021 4.192 4.170 0.001 0.000 0.271 51 I C 0.089 175.929 176.117 -0.462 0.000 1.293 51 I CA 1.130 62.182 61.300 -0.413 0.000 1.452 51 I CB -0.616 37.016 38.000 -0.613 0.000 1.082 51 I HN 0.233 nan 8.210 nan 0.000 0.484 52 F N 1.845 121.804 119.950 0.015 0.000 2.664 52 F HA 0.456 4.983 4.527 0.000 0.000 0.303 52 F C 1.869 177.692 175.800 0.039 0.000 1.092 52 F CA 0.309 58.323 58.000 0.023 0.000 1.305 52 F CB 0.505 39.514 39.000 0.015 0.000 1.054 52 F HN 0.253 nan 8.300 nan 0.000 0.565 53 G N 0.280 109.175 108.800 0.158 0.000 2.153 53 G HA2 -0.230 3.730 3.960 0.001 0.000 0.252 53 G HA3 -0.230 3.730 3.960 0.001 0.000 0.252 53 G C 0.086 175.075 174.900 0.148 0.000 0.994 53 G CA -0.092 45.090 45.100 0.136 0.000 0.698 53 G HN 0.265 nan 8.290 nan 0.000 0.521 54 Q N 0.301 120.208 119.800 0.178 0.000 2.297 54 Q HA 0.638 4.979 4.340 0.001 0.000 0.268 54 Q C 0.593 176.692 176.000 0.165 0.000 1.045 54 Q CA 0.119 56.013 55.803 0.152 0.000 0.861 54 Q CB 1.424 30.245 28.738 0.138 0.000 1.344 54 Q HN 0.584 nan 8.270 nan 0.000 0.452 55 T N -1.726 112.923 114.554 0.158 0.000 2.910 55 T HA 0.426 4.777 4.350 0.001 0.000 0.293 55 T C 0.274 175.044 174.700 0.118 0.000 1.015 55 T CA -0.833 61.394 62.100 0.213 0.000 1.094 55 T CB 0.601 69.593 68.868 0.206 0.000 0.968 55 T HN 0.393 nan 8.240 nan 0.000 0.521 56 L N 2.556 123.812 121.223 0.055 0.000 2.453 56 L HA 0.303 4.644 4.340 0.001 0.000 0.272 56 L C 0.395 177.301 176.870 0.061 0.000 1.182 56 L CA 0.611 55.406 54.840 -0.075 0.000 0.858 56 L CB 0.457 42.334 42.059 -0.303 0.000 1.120 56 L HN 0.871 nan 8.230 nan 0.000 0.474 57 T N 7.302 121.883 114.554 0.045 0.000 2.794 57 T HA 0.486 4.836 4.350 0.001 0.000 0.304 57 T C -0.033 174.715 174.700 0.081 0.000 0.973 57 T CA 0.002 62.141 62.100 0.065 0.000 0.972 57 T CB -0.529 68.366 68.868 0.045 0.000 0.952 57 T HN 0.400 nan 8.240 nan 0.000 0.509 58 I N 3.760 124.399 120.570 0.114 0.000 2.433 58 I HA 0.608 4.779 4.170 0.001 0.000 0.292 58 I C 0.085 176.271 176.117 0.114 0.000 1.001 58 I CA -1.134 60.249 61.300 0.138 0.000 1.119 58 I CB 1.364 39.498 38.000 0.224 0.000 1.289 58 I HN 0.176 nan 8.210 nan 0.000 0.438 59 R N 3.877 124.419 120.500 0.070 0.000 2.744 59 R HA 0.431 4.772 4.340 0.001 0.000 0.279 59 R C -0.994 175.286 176.300 -0.033 0.000 0.977 59 R CA -0.850 55.271 56.100 0.035 0.000 0.906 59 R CB 2.545 32.862 30.300 0.028 0.000 1.197 59 R HN 0.667 nan 8.270 nan 0.000 0.463 60 E N 3.095 123.247 120.200 -0.081 0.000 2.174 60 E HA 0.279 4.629 4.350 0.001 0.000 0.282 60 E C -0.257 176.340 176.600 -0.004 0.000 0.992 60 E CA -0.534 55.768 56.400 -0.163 0.000 0.803 60 E CB 0.866 30.371 29.700 -0.326 0.000 1.090 60 E HN 0.208 nan 8.360 nan 0.000 0.396 61 M N 2.397 122.045 119.600 0.080 0.000 2.531 61 M HA 0.051 4.531 4.480 0.001 0.000 0.262 61 M C 1.100 177.520 176.300 0.199 0.000 1.168 61 M CA -0.218 55.140 55.300 0.096 0.000 0.926 61 M CB 0.476 33.097 32.600 0.035 0.000 1.445 61 M HN 0.601 nan 8.290 nan 0.000 0.531 62 Q N 0.681 120.523 119.800 0.070 0.000 2.432 62 Q HA 0.066 4.406 4.340 0.001 0.000 0.205 62 Q C -0.136 175.690 176.000 -0.290 0.000 0.945 62 Q CA 0.628 56.473 55.803 0.070 0.000 0.924 62 Q CB 0.224 28.974 28.738 0.021 0.000 1.016 62 Q HN 0.739 nan 8.270 nan 0.000 0.503 63 S N -1.575 113.741 115.700 -0.641 0.000 2.655 63 S HA 0.306 4.777 4.470 0.001 0.000 0.266 63 S C -0.251 173.941 174.600 -0.680 0.000 1.149 63 S CA -0.424 57.056 58.200 -1.200 0.000 0.818 63 S CB 0.667 63.518 63.200 -0.581 0.000 1.130 63 S HN -0.063 nan 8.310 nan 0.000 0.476 64 E N 0.780 120.694 120.200 -0.476 0.000 2.204 64 E HA 0.162 4.512 4.350 0.001 0.000 0.194 64 E C 2.114 178.631 176.600 -0.138 0.000 0.989 64 E CA 1.506 57.803 56.400 -0.172 0.000 0.824 64 E CB -0.477 29.174 29.700 -0.082 0.000 0.756 64 E HN 0.697 nan 8.360 nan 0.000 0.477 65 A N 0.463 123.194 122.820 -0.148 0.000 1.898 65 A HA -0.048 4.272 4.320 0.001 0.000 0.216 65 A C 2.413 179.957 177.584 -0.067 0.000 1.181 65 A CA 1.624 53.610 52.037 -0.085 0.000 0.620 65 A CB -1.095 17.854 19.000 -0.085 0.000 0.819 65 A HN 0.359 nan 8.150 nan 0.000 0.442 66 G N -0.688 108.050 108.800 -0.103 0.000 2.422 66 G HA2 0.070 4.030 3.960 0.001 0.000 0.218 66 G HA3 0.070 4.030 3.960 0.001 0.000 0.218 66 G C 1.662 176.540 174.900 -0.037 0.000 1.140 66 G CA 1.293 46.355 45.100 -0.063 0.000 0.775 66 G HN 0.745 nan 8.290 nan 0.000 0.545 67 A N 1.183 123.970 122.820 -0.055 0.000 1.898 67 A HA 0.360 4.680 4.320 0.001 0.000 0.216 67 A C 2.793 180.358 177.584 -0.032 0.000 1.181 67 A CA 2.019 54.033 52.037 -0.039 0.000 0.620 67 A CB -0.732 18.239 19.000 -0.048 0.000 0.819 67 A HN 0.693 nan 8.150 nan 0.000 0.442 68 A N -0.464 122.336 122.820 -0.034 0.000 1.933 68 A HA 0.145 4.465 4.320 0.001 0.000 0.218 68 A C 2.348 180.007 177.584 0.126 0.000 1.175 68 A CA 1.847 53.908 52.037 0.040 0.000 0.628 68 A CB -1.243 17.789 19.000 0.054 0.000 0.814 68 A HN 0.682 nan 8.150 nan 0.000 0.444 69 G N -0.561 108.293 108.800 0.090 0.000 2.402 69 G HA2 0.053 4.013 3.960 0.001 0.000 0.216 69 G HA3 0.053 4.013 3.960 0.001 0.000 0.216 69 G C 1.728 176.693 174.900 0.108 0.000 1.162 69 G CA 1.279 46.452 45.100 0.122 0.000 0.777 69 G HN 0.749 nan 8.290 nan 0.000 0.539 70 A N 0.198 123.055 122.820 0.063 0.000 1.902 70 A HA 0.081 4.401 4.320 0.001 0.000 0.217 70 A C 2.597 180.229 177.584 0.080 0.000 1.181 70 A CA 1.774 53.840 52.037 0.048 0.000 0.623 70 A CB -0.632 18.383 19.000 0.025 0.000 0.818 70 A HN 0.241 nan 8.150 nan 0.000 0.443 71 V N -0.310 119.669 119.914 0.108 0.000 2.295 71 V HA -0.316 3.805 4.120 0.001 0.000 0.246 71 V C 2.438 178.675 176.094 0.238 0.000 1.049 71 V CA 2.295 64.689 62.300 0.156 0.000 1.024 71 V CB -1.058 30.872 31.823 0.178 0.000 0.648 71 V HN 0.847 nan 8.190 nan 0.000 0.447 72 H N 0.121 119.272 119.070 0.136 0.000 2.319 72 H HA -0.173 4.384 4.556 0.001 0.000 0.299 72 H C 2.280 177.668 175.328 0.099 0.000 1.092 72 H CA 1.504 57.630 56.048 0.131 0.000 1.302 72 H CB -0.211 29.623 29.762 0.120 0.000 1.373 72 H HN 0.453 nan 8.280 nan 0.000 0.497 73 G N 0.071 108.881 108.800 0.017 0.000 2.418 73 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 73 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 73 G C 1.885 176.784 174.900 -0.001 0.000 1.158 73 G CA 0.847 45.899 45.100 -0.079 0.000 0.771 73 G HN 0.575 nan 8.290 nan 0.000 0.545 74 A N 0.497 123.350 122.820 0.055 0.000 1.902 74 A HA 0.090 4.410 4.320 0.001 0.000 0.217 74 A C 2.454 180.109 177.584 0.119 0.000 1.181 74 A CA 1.324 53.402 52.037 0.069 0.000 0.623 74 A CB -0.413 18.636 19.000 0.081 0.000 0.818 74 A HN 0.356 nan 8.150 nan 0.000 0.443 75 L N -0.804 120.531 121.223 0.187 0.000 2.027 75 L HA -0.177 4.163 4.340 0.001 0.000 0.206 75 L C 3.080 180.098 176.870 0.248 0.000 1.074 75 L CA 1.067 56.089 54.840 0.303 0.000 0.745 75 L CB -0.512 41.722 42.059 0.290 0.000 0.898 75 L HN 0.422 nan 8.230 nan 0.000 0.433 76 A N -0.101 122.811 122.820 0.153 0.000 2.024 76 A HA -0.102 4.219 4.320 0.001 0.000 0.220 76 A C 2.095 179.677 177.584 -0.003 0.000 1.164 76 A CA 1.640 53.725 52.037 0.081 0.000 0.643 76 A CB -0.555 18.432 19.000 -0.023 0.000 0.806 76 A HN 0.395 nan 8.150 nan 0.000 0.451 77 A N -1.513 121.290 122.820 -0.029 0.000 2.462 77 A HA 0.463 4.783 4.320 0.001 0.000 0.261 77 A C 1.463 178.958 177.584 -0.147 0.000 1.323 77 A CA 0.827 52.815 52.037 -0.081 0.000 0.913 77 A CB -1.165 17.796 19.000 -0.064 0.000 1.028 77 A HN 1.853 nan 8.150 nan 0.000 0.511 78 G N -1.651 106.982 108.800 -0.278 0.000 2.176 78 G HA2 0.119 4.080 3.960 0.001 0.000 0.252 78 G HA3 0.119 4.080 3.960 0.001 0.000 0.252 78 G C 0.236 174.992 174.900 -0.239 0.000 1.024 78 G CA 0.349 45.069 45.100 -0.632 0.000 0.755 78 G HN 1.717 nan 8.290 nan 0.000 0.507 79 A N -0.113 122.779 122.820 0.120 0.000 2.342 79 A HA 0.810 5.130 4.320 0.001 0.000 0.323 79 A C 0.357 178.149 177.584 0.346 0.000 1.125 79 A CA -0.698 51.457 52.037 0.196 0.000 0.785 79 A CB 1.002 20.048 19.000 0.077 0.000 1.221 79 A HN 0.751 nan 8.150 nan 0.000 0.463 80 L N 2.274 123.651 121.223 0.258 0.000 2.462 80 L HA 0.306 4.646 4.340 0.001 0.000 0.272 80 L C 0.098 177.049 176.870 0.135 0.000 1.166 80 L CA 0.391 55.320 54.840 0.149 0.000 0.880 80 L CB 0.536 42.686 42.059 0.152 0.000 1.142 80 L HN 0.764 nan 8.230 nan 0.000 0.473 81 T N 1.366 115.993 114.554 0.121 0.000 2.900 81 T HA 0.629 4.980 4.350 0.001 0.000 0.295 81 T C -0.284 174.489 174.700 0.122 0.000 1.044 81 T CA -0.621 61.549 62.100 0.117 0.000 0.995 81 T CB 2.234 71.179 68.868 0.127 0.000 1.072 81 T HN 0.537 nan 8.240 nan 0.000 0.473 82 T N 0.708 115.306 114.554 0.073 0.000 2.838 82 T HA 0.855 5.205 4.350 0.001 0.000 0.292 82 T C -0.752 173.799 174.700 -0.247 0.000 1.113 82 T CA -0.766 61.338 62.100 0.007 0.000 1.008 82 T CB 2.161 71.084 68.868 0.091 0.000 1.259 82 T HN 0.692 nan 8.240 nan 0.000 0.520 83 T N 0.241 114.500 114.554 -0.492 0.000 2.830 83 T HA 0.651 5.002 4.350 0.001 0.000 0.322 83 T C -2.103 172.104 174.700 -0.822 0.000 1.501 83 T CA -0.645 61.019 62.100 -0.726 0.000 1.036 83 T CB 0.679 69.211 68.868 -0.560 0.000 1.379 83 T HN 0.419 nan 8.240 nan 0.000 0.493 84 F N 1.666 121.625 119.950 0.014 0.000 2.493 84 F HA 0.757 5.284 4.527 0.001 0.000 0.329 84 F C 0.737 176.522 175.800 -0.025 0.000 1.126 84 F CA -0.608 57.425 58.000 0.056 0.000 0.937 84 F CB 2.421 41.481 39.000 0.101 0.000 1.146 84 F HN 0.585 nan 8.300 nan 0.000 0.442 85 T N 1.140 115.751 114.554 0.095 0.000 2.653 85 T HA 0.883 5.233 4.350 0.001 0.000 0.306 85 T C -1.856 172.834 174.700 -0.016 0.000 1.426 85 T CA -0.190 61.920 62.100 0.017 0.000 1.008 85 T CB 1.501 70.325 68.868 -0.074 0.000 1.692 85 T HN 1.207 nan 8.240 nan 0.000 0.483 86 A N 0.234 123.038 122.820 -0.028 0.000 2.522 86 A HA 0.735 5.055 4.320 0.001 0.000 0.294 86 A C 0.477 178.041 177.584 -0.034 0.000 1.001 86 A CA 0.690 52.697 52.037 -0.049 0.000 0.642 86 A CB 0.224 19.185 19.000 -0.066 0.000 1.326 86 A HN 2.145 nan 8.150 nan 0.000 0.435 87 S N -0.716 114.960 115.700 -0.040 0.000 3.917 87 S HA -0.343 4.128 4.470 0.001 0.000 0.601 87 S C 1.685 176.276 174.600 -0.015 0.000 2.206 87 S CA 2.288 60.473 58.200 -0.025 0.000 4.167 87 S CB -1.037 62.153 63.200 -0.016 0.000 0.372 87 S HN 1.441 nan 8.310 nan 0.000 0.766 88 Q N 0.788 120.588 119.800 -0.000 0.000 2.173 88 Q HA -0.122 4.218 4.340 0.001 0.000 0.208 88 Q C 2.331 178.340 176.000 0.014 0.000 0.989 88 Q CA 2.195 58.005 55.803 0.012 0.000 0.872 88 Q CB -1.431 27.328 28.738 0.035 0.000 0.909 88 Q HN 0.839 nan 8.270 nan 0.000 0.420 89 G N 1.194 110.009 108.800 0.025 0.000 2.421 89 G HA2 -0.215 3.746 3.960 0.001 0.000 0.216 89 G HA3 -0.215 3.746 3.960 0.001 0.000 0.216 89 G C 1.487 176.374 174.900 -0.021 0.000 1.171 89 G CA 0.769 45.882 45.100 0.022 0.000 0.775 89 G HN 0.335 nan 8.290 nan 0.000 0.543 90 L N 0.696 121.900 121.223 -0.032 0.000 2.083 90 L HA 0.086 4.426 4.340 0.001 0.000 0.209 90 L C 2.680 179.527 176.870 -0.038 0.000 1.083 90 L CA 1.246 56.058 54.840 -0.046 0.000 0.752 90 L CB -0.409 41.615 42.059 -0.058 0.000 0.899 90 L HN 0.213 nan 8.230 nan 0.000 0.433 91 L N -1.188 120.018 121.223 -0.029 0.000 2.042 91 L HA -0.256 4.085 4.340 0.001 0.000 0.210 91 L C 2.397 179.259 176.870 -0.015 0.000 1.076 91 L CA 1.288 56.115 54.840 -0.020 0.000 0.749 91 L CB -0.662 41.389 42.059 -0.013 0.000 0.893 91 L HN 0.307 nan 8.230 nan 0.000 0.432 92 L N -1.013 120.196 121.223 -0.023 0.000 2.465 92 L HA -0.131 4.209 4.340 0.001 0.000 0.224 92 L C 2.322 179.180 176.870 -0.020 0.000 1.145 92 L CA 0.761 55.583 54.840 -0.030 0.000 0.834 92 L CB -0.293 41.731 42.059 -0.057 0.000 0.944 92 L HN 0.385 nan 8.230 nan 0.000 0.451 93 M N -1.023 118.568 119.600 -0.015 0.000 2.509 93 M HA -0.031 4.449 4.480 0.001 0.000 0.250 93 M C 1.976 178.300 176.300 0.039 0.000 1.132 93 M CA 0.384 55.695 55.300 0.019 0.000 1.080 93 M CB 0.173 32.786 32.600 0.021 0.000 1.408 93 M HN 0.130 nan 8.290 nan 0.000 0.484 94 I N 1.087 121.667 120.570 0.016 0.000 2.113 94 I HA -0.219 3.951 4.170 0.001 0.000 0.242 94 I C -0.435 175.780 176.117 0.163 0.000 1.064 94 I CA 2.047 63.370 61.300 0.037 0.000 1.320 94 I CB -2.717 35.326 38.000 0.073 0.000 1.028 94 I HN 0.115 nan 8.210 nan 0.000 0.406 95 P HA -0.143 nan 4.420 nan 0.000 0.214 95 P C 1.524 178.917 177.300 0.155 0.000 1.163 95 P CA 1.514 64.702 63.100 0.147 0.000 0.889 95 P CB -0.101 31.634 31.700 0.060 0.000 0.790 96 N N -1.443 117.321 118.700 0.108 0.000 2.381 96 N HA -0.050 4.690 4.740 0.001 0.000 0.182 96 N C 1.647 177.205 175.510 0.080 0.000 1.025 96 N CA 1.015 54.115 53.050 0.083 0.000 0.888 96 N CB -0.341 38.220 38.487 0.124 0.000 0.965 96 N HN 0.224 nan 8.380 nan 0.000 0.438 97 M N -0.612 119.028 119.600 0.068 0.000 2.117 97 M HA -0.173 4.307 4.480 0.001 0.000 0.262 97 M C 1.618 177.983 176.300 0.108 0.000 1.065 97 M CA 1.431 56.714 55.300 -0.029 0.000 1.114 97 M CB -0.417 31.900 32.600 -0.471 0.000 1.361 97 M HN 0.105 nan 8.290 nan 0.000 0.408 98 Y N 0.518 120.835 120.300 0.028 0.000 2.207 98 Y HA -0.228 4.322 4.550 0.000 0.000 0.287 98 Y C 2.545 178.453 175.900 0.012 0.000 1.156 98 Y CA 1.208 59.330 58.100 0.036 0.000 1.182 98 Y CB -0.275 38.194 38.460 0.015 0.000 0.979 98 Y HN 0.062 nan 8.280 nan 0.000 0.521 99 K N 0.273 120.742 120.400 0.115 0.000 2.025 99 K HA -0.125 4.196 4.320 0.001 0.000 0.207 99 K C 2.018 178.517 176.600 -0.167 0.000 1.049 99 K CA 1.364 57.607 56.287 -0.074 0.000 0.933 99 K CB -0.640 31.695 32.500 -0.274 0.000 0.714 99 K HN 0.383 nan 8.250 nan 0.000 0.438 100 I N 1.359 121.840 120.570 -0.148 0.000 2.226 100 I HA -0.285 3.886 4.170 0.001 0.000 0.245 100 I C 2.508 178.565 176.117 -0.099 0.000 1.100 100 I CA 1.549 62.794 61.300 -0.093 0.000 1.374 100 I CB -0.381 37.656 38.000 0.062 0.000 1.057 100 I HN 0.161 nan 8.210 nan 0.000 0.413 101 S N 0.691 116.362 115.700 -0.049 0.000 2.395 101 S HA -0.020 4.450 4.470 0.001 0.000 0.225 101 S C 2.194 176.799 174.600 0.009 0.000 1.027 101 S CA 0.726 58.873 58.200 -0.088 0.000 0.965 101 S CB -1.034 62.174 63.200 0.012 0.000 0.812 101 S HN 0.436 nan 8.310 nan 0.000 0.482 102 G N 1.461 110.291 108.800 0.050 0.000 2.450 102 G HA2 -0.127 3.833 3.960 0.001 0.000 0.220 102 G HA3 -0.127 3.833 3.960 0.001 0.000 0.220 102 G C 1.219 176.136 174.900 0.027 0.000 1.130 102 G CA 0.719 45.856 45.100 0.061 0.000 0.760 102 G HN 0.686 nan 8.290 nan 0.000 0.557 103 E N -0.179 120.029 120.200 0.013 0.000 2.465 103 E HA 0.338 4.689 4.350 0.001 0.000 0.195 103 E C 0.222 176.799 176.600 -0.040 0.000 1.028 103 E CA -0.472 55.940 56.400 0.020 0.000 0.899 103 E CB 0.135 29.900 29.700 0.108 0.000 1.032 103 E HN 0.269 nan 8.360 nan 0.000 0.468 104 L N 1.503 122.666 121.223 -0.100 0.000 3.746 104 L HA -0.235 4.105 4.340 0.001 0.000 0.542 104 L C -0.726 176.061 176.870 -0.137 0.000 1.268 104 L CA 0.269 54.992 54.840 -0.194 0.000 0.818 104 L CB -1.414 40.432 42.059 -0.355 0.000 1.472 104 L HN 0.286 nan 8.230 nan 0.000 0.843 105 L N 2.384 123.537 121.223 -0.117 0.000 2.325 105 L HA 0.458 4.798 4.340 0.001 0.000 0.278 105 L C -1.353 175.396 176.870 -0.202 0.000 1.023 105 L CA -1.685 53.121 54.840 -0.057 0.000 0.811 105 L CB 1.466 43.563 42.059 0.064 0.000 1.249 105 L HN -0.065 nan 8.230 nan 0.000 0.431 106 P HA 0.038 nan 4.420 nan 0.000 0.249 106 P C 0.296 177.426 177.300 -0.282 0.000 1.686 106 P CA 0.004 62.888 63.100 -0.361 0.000 0.873 106 P CB -0.129 31.222 31.700 -0.583 0.000 1.828 107 G N -0.146 108.518 108.800 -0.227 0.000 2.503 107 G HA2 0.417 4.378 3.960 0.001 0.000 0.257 107 G HA3 0.417 4.378 3.960 0.001 0.000 0.257 107 G C -0.819 173.997 174.900 -0.141 0.000 1.214 107 G CA -0.195 44.840 45.100 -0.107 0.000 0.839 107 G HN 0.124 nan 8.290 nan 0.000 0.559 108 V N 1.656 121.561 119.914 -0.015 0.000 2.569 108 V HA 0.376 4.496 4.120 0.001 0.000 0.301 108 V C -0.783 175.403 176.094 0.153 0.000 1.044 108 V CA -0.591 61.641 62.300 -0.114 0.000 0.874 108 V CB 1.333 32.796 31.823 -0.600 0.000 1.002 108 V HN 0.671 nan 8.190 nan 0.000 0.424 109 F N 2.985 122.880 119.950 -0.092 0.000 2.436 109 F HA 0.536 5.064 4.527 0.001 0.000 0.340 109 F C 0.323 176.028 175.800 -0.159 0.000 1.113 109 F CA -0.733 57.218 58.000 -0.083 0.000 1.022 109 F CB 1.506 40.509 39.000 0.005 0.000 1.128 109 F HN 0.546 nan 8.300 nan 0.000 0.466 110 H N 1.964 121.211 119.070 0.296 0.000 2.541 110 H HA 0.454 5.011 4.556 0.001 0.000 0.316 110 H C -0.688 174.747 175.328 0.178 0.000 1.043 110 H CA -0.687 55.563 56.048 0.335 0.000 1.232 110 H CB 1.677 31.775 29.762 0.560 0.000 1.406 110 H HN 0.400 nan 8.280 nan 0.000 0.469 111 V N 1.406 121.383 119.914 0.105 0.000 2.604 111 V HA 0.556 4.676 4.120 0.001 0.000 0.305 111 V C 0.160 176.009 176.094 -0.409 0.000 1.043 111 V CA -0.886 61.370 62.300 -0.074 0.000 0.888 111 V CB 1.966 33.768 31.823 -0.036 0.000 0.995 111 V HN 0.834 nan 8.190 nan 0.000 0.429 112 T N 2.589 116.895 114.554 -0.413 0.000 2.875 112 T HA 0.692 5.043 4.350 0.001 0.000 0.307 112 T C 0.446 175.005 174.700 -0.235 0.000 1.013 112 T CA 0.273 62.048 62.100 -0.542 0.000 0.970 112 T CB 0.301 68.955 68.868 -0.357 0.000 0.986 112 T HN 1.830 nan 8.240 nan 0.000 0.536 113 A N 4.241 126.972 122.820 -0.147 0.000 2.550 113 A HA 0.316 4.637 4.320 0.001 0.000 0.263 113 A C 0.710 178.305 177.584 0.017 0.000 1.065 113 A CA -0.118 51.902 52.037 -0.028 0.000 0.786 113 A CB -0.248 18.828 19.000 0.126 0.000 0.985 113 A HN 0.959 nan 8.150 nan 0.000 0.518 114 R N 2.724 123.218 120.500 -0.010 0.000 2.750 114 R HA 0.635 4.975 4.340 0.001 0.000 0.281 114 R C -0.003 176.309 176.300 0.018 0.000 0.972 114 R CA -0.246 55.867 56.100 0.022 0.000 0.912 114 R CB 1.522 31.821 30.300 -0.001 0.000 1.187 114 R HN 0.896 nan 8.270 nan 0.000 0.464 115 A N 4.321 127.168 122.820 0.045 0.000 2.520 115 A HA 0.180 4.500 4.320 0.001 0.000 0.235 115 A C 0.218 177.812 177.584 0.017 0.000 1.065 115 A CA 0.005 52.062 52.037 0.035 0.000 0.764 115 A CB 0.073 19.110 19.000 0.061 0.000 1.002 115 A HN 0.540 nan 8.150 nan 0.000 0.502 116 I N 1.038 121.615 120.570 0.013 0.000 2.499 116 I HA 0.348 4.519 4.170 0.001 0.000 0.296 116 I C 1.008 177.123 176.117 -0.004 0.000 0.992 116 I CA -0.179 61.123 61.300 0.003 0.000 1.297 116 I CB 1.196 39.199 38.000 0.006 0.000 1.410 116 I HN 0.731 nan 8.210 nan 0.000 0.507 117 A N 4.584 127.392 122.820 -0.019 0.000 2.396 117 A HA 0.590 4.911 4.320 0.001 0.000 0.279 117 A C 0.424 177.988 177.584 -0.034 0.000 1.165 117 A CA 0.370 52.381 52.037 -0.044 0.000 0.824 117 A CB 0.206 19.177 19.000 -0.049 0.000 1.100 117 A HN 0.975 nan 8.150 nan 0.000 0.516 118 A N 2.126 124.922 122.820 -0.040 0.000 2.085 118 A HA 0.384 4.704 4.320 0.001 0.000 0.202 118 A C 1.618 179.213 177.584 0.017 0.000 2.124 118 A CA 0.524 52.575 52.037 0.023 0.000 1.584 118 A CB -0.530 18.534 19.000 0.105 0.000 1.136 118 A HN 1.035 nan 8.150 nan 0.000 0.493 119 H N 0.385 119.474 119.070 0.032 0.000 2.491 119 H HA 0.420 4.976 4.556 0.001 0.000 0.290 119 H C 0.420 175.790 175.328 0.071 0.000 1.050 119 H CA 1.471 57.553 56.048 0.056 0.000 1.309 119 H CB -0.299 29.498 29.762 0.058 0.000 1.392 119 H HN 0.716 nan 8.280 nan 0.000 0.554 120 A N 0.571 122.913 122.820 -0.797 0.000 2.599 120 A HA 0.519 4.839 4.320 0.001 0.000 0.290 120 A C -1.347 176.051 177.584 -0.310 0.000 1.101 120 A CA -0.765 50.971 52.037 -0.501 0.000 0.674 120 A CB 1.142 19.797 19.000 -0.575 0.000 1.277 120 A HN 0.277 nan 8.150 nan 0.000 0.419 121 L N 0.638 121.768 121.223 -0.155 0.000 2.357 121 L HA 0.822 5.162 4.340 0.001 0.000 0.273 121 L C -0.035 176.806 176.870 -0.048 0.000 1.080 121 L CA -0.077 54.713 54.840 -0.085 0.000 0.803 121 L CB 1.648 43.677 42.059 -0.049 0.000 1.174 121 L HN 0.838 nan 8.230 nan 0.000 0.443 122 S N 3.925 119.618 115.700 -0.011 0.000 2.566 122 S HA 0.366 4.836 4.470 0.001 0.000 0.273 122 S C 0.316 174.927 174.600 0.019 0.000 1.157 122 S CA -0.862 57.373 58.200 0.058 0.000 0.938 122 S CB 1.210 64.482 63.200 0.120 0.000 1.087 122 S HN 0.650 nan 8.310 nan 0.000 0.474 123 I N 1.494 122.015 120.570 -0.081 0.000 3.793 123 I HA 0.398 4.569 4.170 0.001 0.000 0.315 123 I C -0.310 175.708 176.117 -0.165 0.000 1.275 123 I CA 0.043 61.240 61.300 -0.171 0.000 1.214 123 I CB -1.693 36.145 38.000 -0.270 0.000 1.018 123 I HN 0.348 nan 8.210 nan 0.000 0.439 124 F N 2.243 122.271 119.950 0.131 0.000 2.368 124 F HA 0.675 5.203 4.527 0.001 0.000 0.315 124 F C 1.627 177.527 175.800 0.167 0.000 1.145 124 F CA -0.344 57.767 58.000 0.186 0.000 1.095 124 F CB 0.388 39.403 39.000 0.025 0.000 1.286 124 F HN -0.015 nan 8.300 nan 0.000 0.530 125 G N 0.582 109.637 108.800 0.426 0.000 2.370 125 G HA2 0.486 4.446 3.960 0.001 0.000 0.272 125 G HA3 0.486 4.446 3.960 0.001 0.000 0.272 125 G C -1.373 173.584 174.900 0.096 0.000 1.208 125 G CA -0.144 45.096 45.100 0.235 0.000 0.856 125 G HN 0.738 nan 8.290 nan 0.000 0.500 126 D N -1.247 119.177 120.400 0.040 0.000 2.769 126 D HA 0.076 4.717 4.640 0.001 0.000 0.309 126 D C -0.257 176.048 176.300 0.009 0.000 1.315 126 D CA -0.751 53.183 54.000 -0.110 0.000 0.780 126 D CB 0.188 40.906 40.800 -0.137 0.000 1.312 126 D HN 0.410 nan 8.370 nan 0.000 0.437 127 H N -0.654 118.333 119.070 -0.138 0.000 2.520 127 H HA 0.197 4.753 4.556 0.000 0.000 0.284 127 H C 0.837 176.063 175.328 -0.171 0.000 1.037 127 H CA -0.135 55.742 56.048 -0.285 0.000 1.168 127 H CB 0.567 29.994 29.762 -0.558 0.000 1.497 127 H HN 0.272 nan 8.280 nan 0.000 0.547 128 Q N 1.030 120.867 119.800 0.062 0.000 2.135 128 Q HA -0.181 4.159 4.340 0.001 0.000 0.204 128 Q C 1.567 177.582 176.000 0.025 0.000 0.981 128 Q CA 1.738 57.587 55.803 0.078 0.000 0.856 128 Q CB 0.078 28.838 28.738 0.037 0.000 0.902 128 Q HN 0.688 nan 8.270 nan 0.000 0.425 129 D N 0.788 121.163 120.400 -0.043 0.000 2.120 129 D HA -0.155 4.485 4.640 0.001 0.000 0.202 129 D C 1.893 178.100 176.300 -0.155 0.000 0.972 129 D CA 1.045 54.997 54.000 -0.080 0.000 0.837 129 D CB -0.567 40.184 40.800 -0.081 0.000 0.989 129 D HN 0.430 nan 8.370 nan 0.000 0.469 130 I N -2.061 118.320 120.570 -0.315 0.000 2.394 130 I HA -0.118 4.052 4.170 0.001 0.000 0.251 130 I C 2.329 178.250 176.117 -0.327 0.000 1.136 130 I CA 0.922 61.929 61.300 -0.488 0.000 1.425 130 I CB -1.163 36.182 38.000 -1.092 0.000 1.079 130 I HN -0.087 nan 8.210 nan 0.000 0.425 131 Y N 1.246 121.395 120.300 -0.252 0.000 2.352 131 Y HA 0.010 4.560 4.550 0.001 0.000 0.292 131 Y C 2.696 178.538 175.900 -0.096 0.000 1.136 131 Y CA 0.382 58.386 58.100 -0.160 0.000 1.227 131 Y CB -0.130 38.257 38.460 -0.122 0.000 0.991 131 Y HN 0.288 nan 8.280 nan 0.000 0.545 132 A N -0.251 122.605 122.820 0.060 0.000 2.121 132 A HA 0.066 4.386 4.320 0.001 0.000 0.218 132 A C 1.933 179.505 177.584 -0.020 0.000 1.154 132 A CA 1.341 53.388 52.037 0.018 0.000 0.679 132 A CB -0.536 18.464 19.000 -0.000 0.000 0.795 132 A HN 0.326 nan 8.150 nan 0.000 0.458 133 A N -0.091 122.688 122.820 -0.068 0.000 2.503 133 A HA 0.264 4.584 4.320 0.001 0.000 0.263 133 A C 1.697 179.203 177.584 -0.131 0.000 1.258 133 A CA 0.330 52.283 52.037 -0.140 0.000 0.936 133 A CB -0.329 18.540 19.000 -0.218 0.000 1.070 133 A HN 0.618 nan 8.150 nan 0.000 0.522 134 R N 0.444 120.932 120.500 -0.020 0.000 2.193 134 R HA -0.150 4.191 4.340 0.001 0.000 0.229 134 R C 1.318 177.608 176.300 -0.018 0.000 1.110 134 R CA 1.556 57.688 56.100 0.053 0.000 0.988 134 R CB -0.250 30.189 30.300 0.232 0.000 0.871 134 R HN 0.521 nan 8.270 nan 0.000 0.458 135 Q N 1.338 121.098 119.800 -0.067 0.000 2.360 135 Q HA 0.001 4.341 4.340 0.001 0.000 0.202 135 Q C 0.974 176.817 176.000 -0.263 0.000 0.915 135 Q CA 1.158 56.911 55.803 -0.083 0.000 0.943 135 Q CB 0.383 29.132 28.738 0.018 0.000 1.064 135 Q HN 0.442 nan 8.270 nan 0.000 0.511 136 T N -3.212 111.064 114.554 -0.463 0.000 3.118 136 T HA 0.253 4.603 4.350 0.001 0.000 0.260 136 T C 1.413 175.934 174.700 -0.300 0.000 1.139 136 T CA 0.838 62.440 62.100 -0.830 0.000 1.085 136 T CB -0.082 68.344 68.868 -0.737 0.000 0.934 136 T HN 0.523 nan 8.240 nan 0.000 0.518 137 G N 0.431 109.168 108.800 -0.105 0.000 2.175 137 G HA2 -0.189 3.771 3.960 0.001 0.000 0.244 137 G HA3 -0.189 3.771 3.960 0.001 0.000 0.244 137 G C -0.176 174.833 174.900 0.182 0.000 0.982 137 G CA -0.300 44.825 45.100 0.042 0.000 0.641 137 G HN 0.498 nan 8.290 nan 0.000 0.527 138 F N 1.956 121.811 119.950 -0.159 0.000 2.412 138 F HA 0.668 5.196 4.527 0.001 0.000 0.348 138 F C 1.081 176.734 175.800 -0.245 0.000 1.102 138 F CA -0.206 57.656 58.000 -0.230 0.000 1.196 138 F CB 1.198 40.013 39.000 -0.308 0.000 1.144 138 F HN 0.352 nan 8.300 nan 0.000 0.541 139 A N 5.213 127.807 122.820 -0.377 0.000 2.386 139 A HA 0.573 4.893 4.320 0.001 0.000 0.248 139 A C -0.387 176.975 177.584 -0.371 0.000 1.082 139 A CA -0.279 51.398 52.037 -0.600 0.000 0.789 139 A CB 0.160 18.194 19.000 -1.609 0.000 1.025 139 A HN 0.778 nan 8.150 nan 0.000 0.490 140 M N 2.101 121.612 119.600 -0.148 0.000 2.151 140 M HA 0.380 4.860 4.480 0.001 0.000 0.290 140 M C -1.192 175.254 176.300 0.244 0.000 0.965 140 M CA 0.209 55.603 55.300 0.157 0.000 0.930 140 M CB 1.708 34.484 32.600 0.294 0.000 1.560 140 M HN 0.552 nan 8.290 nan 0.000 0.438 141 L N 2.727 124.123 121.223 0.289 0.000 2.325 141 L HA 0.824 5.164 4.340 0.001 0.000 0.281 141 L C -0.437 176.390 176.870 -0.072 0.000 1.004 141 L CA -0.529 54.412 54.840 0.169 0.000 0.823 141 L CB 1.679 43.887 42.059 0.249 0.000 1.236 141 L HN 0.851 nan 8.230 nan 0.000 0.415 142 A N 2.981 125.596 122.820 -0.342 0.000 2.306 142 A HA 0.697 5.017 4.320 0.001 0.000 0.314 142 A C -0.219 177.207 177.584 -0.263 0.000 1.164 142 A CA -0.406 51.172 52.037 -0.766 0.000 0.822 142 A CB 1.041 19.594 19.000 -0.744 0.000 1.130 142 A HN 0.677 nan 8.150 nan 0.000 0.496 143 S N 0.735 116.349 115.700 -0.142 0.000 2.502 143 S HA 0.520 4.990 4.470 0.001 0.000 0.304 143 S C 0.220 174.861 174.600 0.069 0.000 1.097 143 S CA 0.087 58.308 58.200 0.035 0.000 1.045 143 S CB 1.495 64.822 63.200 0.212 0.000 1.019 143 S HN 1.303 nan 8.310 nan 0.000 0.481 144 S N 0.812 116.566 115.700 0.091 0.000 2.575 144 S HA 0.474 4.944 4.470 0.001 0.000 0.237 144 S C 0.344 175.031 174.600 0.145 0.000 0.975 144 S CA 0.064 58.346 58.200 0.136 0.000 0.960 144 S CB -0.811 62.474 63.200 0.141 0.000 0.822 144 S HN 1.471 nan 8.310 nan 0.000 0.472 145 S N -1.091 114.685 115.700 0.126 0.000 2.595 145 S HA 0.461 4.932 4.470 0.001 0.000 0.270 145 S C 0.517 175.160 174.600 0.071 0.000 1.145 145 S CA -0.351 57.915 58.200 0.109 0.000 0.825 145 S CB 0.649 63.913 63.200 0.106 0.000 1.107 145 S HN -0.008 nan 8.310 nan 0.000 0.461 146 V N 1.389 121.340 119.914 0.062 0.000 2.287 146 V HA -0.177 3.943 4.120 0.001 0.000 0.248 146 V C 2.908 179.021 176.094 0.032 0.000 1.053 146 V CA 2.662 64.976 62.300 0.023 0.000 1.027 146 V CB -1.091 30.758 31.823 0.043 0.000 0.646 146 V HN 0.977 nan 8.190 nan 0.000 0.447 147 Q N 0.460 120.299 119.800 0.066 0.000 2.124 147 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 147 Q C 2.082 178.161 176.000 0.132 0.000 0.977 147 Q CA 1.978 57.834 55.803 0.088 0.000 0.850 147 Q CB -0.348 28.451 28.738 0.101 0.000 0.901 147 Q HN 0.704 nan 8.270 nan 0.000 0.429 148 E N -0.714 119.560 120.200 0.123 0.000 2.150 148 E HA -0.114 4.236 4.350 0.001 0.000 0.193 148 E C 1.811 178.420 176.600 0.015 0.000 0.985 148 E CA 0.656 57.106 56.400 0.084 0.000 0.814 148 E CB -0.143 29.611 29.700 0.090 0.000 0.752 148 E HN 0.493 nan 8.360 nan 0.000 0.466 149 A N 1.567 124.395 122.820 0.015 0.000 1.908 149 A HA -0.251 4.069 4.320 0.001 0.000 0.218 149 A C 2.085 179.678 177.584 0.017 0.000 1.181 149 A CA 1.769 53.800 52.037 -0.010 0.000 0.627 149 A CB -0.801 17.978 19.000 -0.368 0.000 0.818 149 A HN 0.380 nan 8.150 nan 0.000 0.445 150 H N 0.233 119.276 119.070 -0.044 0.000 2.321 150 H HA -0.141 4.415 4.556 0.000 0.000 0.300 150 H C 1.306 176.616 175.328 -0.030 0.000 1.087 150 H CA 1.989 58.032 56.048 -0.008 0.000 1.319 150 H CB -0.249 29.514 29.762 0.002 0.000 1.379 150 H HN 0.399 nan 8.280 nan 0.000 0.501 151 D N 0.491 120.945 120.400 0.089 0.000 2.097 151 D HA -0.125 4.515 4.640 0.001 0.000 0.197 151 D C 2.437 178.598 176.300 -0.232 0.000 0.984 151 D CA 0.850 54.843 54.000 -0.011 0.000 0.826 151 D CB -0.120 40.728 40.800 0.081 0.000 0.973 151 D HN 0.350 nan 8.370 nan 0.000 0.460 152 M N 0.558 119.960 119.600 -0.330 0.000 2.254 152 M HA 0.040 4.520 4.480 0.001 0.000 0.265 152 M C 2.268 178.234 176.300 -0.558 0.000 1.066 152 M CA 0.548 55.592 55.300 -0.426 0.000 1.123 152 M CB -1.057 31.321 32.600 -0.370 0.000 1.388 152 M HN -0.047 nan 8.290 nan 0.000 0.425 153 A N 0.430 122.851 122.820 -0.666 0.000 1.933 153 A HA -0.137 4.184 4.320 0.001 0.000 0.218 153 A C 2.301 179.855 177.584 -0.051 0.000 1.175 153 A CA 1.174 53.025 52.037 -0.310 0.000 0.628 153 A CB -0.852 18.134 19.000 -0.022 0.000 0.814 153 A HN 0.453 nan 8.150 nan 0.000 0.444 154 L N -0.146 120.964 121.223 -0.188 0.000 2.027 154 L HA -0.130 4.210 4.340 0.001 0.000 0.206 154 L C 2.493 179.259 176.870 -0.173 0.000 1.074 154 L CA 1.718 56.460 54.840 -0.163 0.000 0.745 154 L CB -0.440 41.493 42.059 -0.210 0.000 0.898 154 L HN 0.276 nan 8.230 nan 0.000 0.433 155 V N 0.497 120.291 119.914 -0.200 0.000 2.287 155 V HA -0.323 3.797 4.120 0.001 0.000 0.248 155 V C 2.884 178.733 176.094 -0.407 0.000 1.053 155 V CA 1.766 63.929 62.300 -0.229 0.000 1.027 155 V CB -1.077 30.650 31.823 -0.159 0.000 0.646 155 V HN 0.592 nan 8.190 nan 0.000 0.447 156 A N -1.173 121.413 122.820 -0.390 0.000 1.883 156 A HA -0.278 4.043 4.320 0.001 0.000 0.217 156 A C 2.151 179.321 177.584 -0.690 0.000 1.186 156 A CA 2.034 53.703 52.037 -0.614 0.000 0.624 156 A CB -0.810 18.056 19.000 -0.223 0.000 0.822 156 A HN 0.678 nan 8.150 nan 0.000 0.444 157 H N -0.360 118.484 119.070 -0.377 0.000 2.326 157 H HA -0.036 4.521 4.556 0.001 0.000 0.301 157 H C 2.163 177.218 175.328 -0.455 0.000 1.081 157 H CA 1.783 57.639 56.048 -0.321 0.000 1.334 157 H CB -0.295 29.357 29.762 -0.185 0.000 1.385 157 H HN 0.421 nan 8.280 nan 0.000 0.504 158 L N 0.131 121.089 121.223 -0.442 0.000 2.046 158 L HA -0.157 4.183 4.340 0.001 0.000 0.208 158 L C 2.916 179.215 176.870 -0.952 0.000 1.077 158 L CA 1.048 55.418 54.840 -0.783 0.000 0.747 158 L CB -0.491 40.889 42.059 -1.133 0.000 0.896 158 L HN 0.206 nan 8.230 nan 0.000 0.432 159 A N -0.121 122.177 122.820 -0.871 0.000 1.929 159 A HA -0.048 4.272 4.320 0.001 0.000 0.216 159 A C 2.541 179.832 177.584 -0.488 0.000 1.176 159 A CA 1.417 53.087 52.037 -0.612 0.000 0.628 159 A CB -0.576 18.011 19.000 -0.688 0.000 0.816 159 A HN 0.376 nan 8.150 nan 0.000 0.444 160 A N 0.221 122.659 122.820 -0.637 0.000 1.902 160 A HA -0.084 4.236 4.320 0.001 0.000 0.217 160 A C 2.096 179.526 177.584 -0.256 0.000 1.181 160 A CA 1.500 53.345 52.037 -0.319 0.000 0.623 160 A CB -0.627 18.186 19.000 -0.311 0.000 0.818 160 A HN 0.488 nan 8.150 nan 0.000 0.443 161 I N -0.687 119.712 120.570 -0.286 0.000 2.163 161 I HA -0.285 3.886 4.170 0.001 0.000 0.243 161 I C 2.611 178.652 176.117 -0.127 0.000 1.085 161 I CA 2.037 63.198 61.300 -0.231 0.000 1.347 161 I CB -0.312 37.576 38.000 -0.187 0.000 1.044 161 I HN 0.537 nan 8.210 nan 0.000 0.408 162 E N 0.639 120.786 120.200 -0.088 0.000 2.152 162 E HA -0.179 4.171 4.350 0.001 0.000 0.192 162 E C 2.154 178.783 176.600 0.049 0.000 0.983 162 E CA 1.378 57.797 56.400 0.031 0.000 0.818 162 E CB 0.124 29.920 29.700 0.160 0.000 0.758 162 E HN 0.508 nan 8.360 nan 0.000 0.467 163 S N -0.615 115.099 115.700 0.023 0.000 2.503 163 S HA 0.045 4.515 4.470 0.001 0.000 0.217 163 S C 0.697 175.330 174.600 0.056 0.000 0.999 163 S CA 0.595 58.834 58.200 0.064 0.000 0.914 163 S CB -0.102 63.143 63.200 0.074 0.000 0.782 163 S HN 0.449 nan 8.310 nan 0.000 0.520 164 N N -0.515 118.162 118.700 -0.039 0.000 2.828 164 N HA -0.122 4.618 4.740 0.001 0.000 0.248 164 N C -1.115 174.271 175.510 -0.206 0.000 1.044 164 N CA 0.808 53.786 53.050 -0.120 0.000 0.851 164 N CB -1.451 36.966 38.487 -0.116 0.000 1.136 164 N HN 0.365 nan 8.380 nan 0.000 0.572 165 V N 1.275 121.075 119.914 -0.189 0.000 2.370 165 V HA 0.430 4.551 4.120 0.001 0.000 0.283 165 V C -1.791 174.140 176.094 -0.271 0.000 1.023 165 V CA -1.505 60.606 62.300 -0.315 0.000 0.857 165 V CB 1.566 33.133 31.823 -0.426 0.000 0.985 165 V HN -0.049 nan 8.190 nan 0.000 0.443 166 P HA 0.175 nan 4.420 nan 0.000 0.269 166 P C -1.126 175.788 177.300 -0.645 0.000 1.209 166 P CA 0.030 62.668 63.100 -0.771 0.000 0.776 166 P CB 0.683 31.421 31.700 -1.603 0.000 0.876 167 F N 1.469 121.111 119.950 -0.514 0.000 2.522 167 F HA 0.539 5.066 4.527 0.000 0.000 0.324 167 F C 0.759 176.574 175.800 0.023 0.000 1.077 167 F CA -0.910 56.970 58.000 -0.201 0.000 0.944 167 F CB 2.042 40.928 39.000 -0.190 0.000 1.175 167 F HN 0.177 nan 8.300 nan 0.000 0.468 168 M N 4.280 124.037 119.600 0.263 0.000 2.046 168 M HA 0.330 4.810 4.480 0.001 0.000 0.309 168 M C -1.717 174.809 176.300 0.376 0.000 0.935 168 M CA -0.618 54.853 55.300 0.286 0.000 0.915 168 M CB 0.538 33.248 32.600 0.183 0.000 1.474 168 M HN 0.683 nan 8.290 nan 0.000 0.415 169 H N 6.165 125.373 119.070 0.229 0.000 2.604 169 H HA 0.549 5.105 4.556 0.001 0.000 0.306 169 H C -1.958 173.619 175.328 0.415 0.000 1.075 169 H CA -0.443 55.782 56.048 0.295 0.000 1.357 169 H CB 0.430 30.376 29.762 0.306 0.000 1.426 169 H HN 0.599 nan 8.280 nan 0.000 0.470 170 F N 4.768 124.730 119.950 0.020 0.000 2.576 170 F HA 0.672 5.200 4.527 0.000 0.000 0.313 170 F C -2.018 173.786 175.800 0.005 0.000 1.078 170 F CA -1.440 56.465 58.000 -0.157 0.000 0.921 170 F CB 1.230 40.124 39.000 -0.177 0.000 1.232 170 F HN 0.373 nan 8.300 nan 0.000 0.459 171 F N -0.763 119.170 119.950 -0.028 0.000 2.645 171 F HA 0.533 5.060 4.527 0.000 0.000 0.310 171 F C -1.127 174.770 175.800 0.163 0.000 1.102 171 F CA -1.444 56.560 58.000 0.007 0.000 0.952 171 F CB 0.873 39.867 39.000 -0.009 0.000 1.326 171 F HN 0.347 nan 8.300 nan 0.000 0.456 172 D N 1.684 122.287 120.400 0.338 0.000 2.487 172 D HA 0.245 4.885 4.640 0.001 0.000 0.243 172 D C 0.522 176.958 176.300 0.226 0.000 1.154 172 D CA 0.534 54.704 54.000 0.284 0.000 0.876 172 D CB 1.193 42.175 40.800 0.304 0.000 1.161 172 D HN 0.985 nan 8.370 nan 0.000 0.478 173 G N 1.544 110.427 108.800 0.139 0.000 2.272 173 G HA2 0.196 4.156 3.960 0.001 0.000 0.247 173 G HA3 0.196 4.156 3.960 0.001 0.000 0.247 173 G C 0.465 175.530 174.900 0.275 0.000 1.272 173 G CA -0.158 44.987 45.100 0.075 0.000 0.921 173 G HN 0.484 nan 8.290 nan 0.000 0.495 174 F N 0.324 120.393 119.950 0.198 0.000 2.560 174 F HA -0.342 4.185 4.527 0.000 0.000 0.695 174 F C 2.354 178.445 175.800 0.485 0.000 0.486 174 F CA 2.244 60.388 58.000 0.239 0.000 0.722 174 F CB -1.152 37.994 39.000 0.244 0.000 1.608 174 F HN 0.539 nan 8.300 nan 0.000 0.266 175 R N 0.460 121.323 120.500 0.604 0.000 2.154 175 R HA -0.100 4.240 4.340 0.001 0.000 0.248 175 R C 1.665 178.188 176.300 0.372 0.000 1.155 175 R CA 2.608 58.956 56.100 0.413 0.000 0.979 175 R CB -0.762 29.688 30.300 0.249 0.000 0.869 175 R HN 0.647 nan 8.270 nan 0.000 0.452 176 T N -2.091 112.701 114.554 0.397 0.000 3.075 176 T HA 0.033 4.384 4.350 0.001 0.000 0.251 176 T C 1.485 176.424 174.700 0.399 0.000 0.979 176 T CA 0.469 62.787 62.100 0.362 0.000 1.033 176 T CB 0.027 69.123 68.868 0.380 0.000 1.104 176 T HN 0.391 nan 8.240 nan 0.000 0.473 177 S N 1.517 117.533 115.700 0.528 0.000 2.383 177 S HA -0.178 4.293 4.470 0.001 0.000 0.229 177 S C 1.513 176.319 174.600 0.343 0.000 1.030 177 S CA 1.473 59.994 58.200 0.535 0.000 1.002 177 S CB -0.479 62.989 63.200 0.447 0.000 0.829 177 S HN 0.548 nan 8.310 nan 0.000 0.467 178 H N 0.783 119.966 119.070 0.189 0.000 2.652 178 H HA 0.460 5.016 4.556 0.000 0.000 0.274 178 H C 0.358 175.822 175.328 0.228 0.000 1.021 178 H CA -0.135 56.022 56.048 0.182 0.000 1.187 178 H CB 0.102 29.990 29.762 0.211 0.000 1.505 178 H HN 0.670 nan 8.280 nan 0.000 0.530 179 E N 2.191 122.619 120.200 0.381 0.000 2.338 179 E HA 0.115 4.465 4.350 0.001 0.000 0.272 179 E C -0.101 176.610 176.600 0.185 0.000 1.029 179 E CA -0.499 56.092 56.400 0.319 0.000 0.872 179 E CB 0.662 30.548 29.700 0.310 0.000 1.015 179 E HN 0.255 nan 8.360 nan 0.000 0.417 180 I N 2.114 122.765 120.570 0.135 0.000 2.525 180 I HA 0.415 4.586 4.170 0.001 0.000 0.301 180 I C -1.169 174.981 176.117 0.055 0.000 0.992 180 I CA -0.533 60.825 61.300 0.097 0.000 1.162 180 I CB 1.461 39.532 38.000 0.118 0.000 1.332 180 I HN 0.674 nan 8.210 nan 0.000 0.458 181 Q N 4.272 124.103 119.800 0.051 0.000 2.462 181 Q HA 0.307 4.648 4.340 0.001 0.000 0.285 181 Q C -1.416 174.615 176.000 0.052 0.000 1.035 181 Q CA -0.897 54.935 55.803 0.049 0.000 0.799 181 Q CB 3.079 31.853 28.738 0.060 0.000 1.452 181 Q HN 0.674 nan 8.270 nan 0.000 0.404 182 K N 2.938 123.381 120.400 0.072 0.000 2.284 182 K HA 0.406 4.726 4.320 0.001 0.000 0.287 182 K C -0.259 176.379 176.600 0.063 0.000 1.081 182 K CA 0.031 56.349 56.287 0.052 0.000 0.910 182 K CB -0.040 32.486 32.500 0.043 0.000 1.088 182 K HN 0.570 nan 8.250 nan 0.000 0.478 183 I N -0.657 119.922 120.570 0.014 0.000 3.294 183 I HA 0.527 4.697 4.170 0.001 0.000 0.311 183 I C -0.999 175.076 176.117 -0.070 0.000 1.111 183 I CA -1.036 60.262 61.300 -0.003 0.000 0.976 183 I CB 1.931 39.918 38.000 -0.021 0.000 1.260 183 I HN 0.489 nan 8.210 nan 0.000 0.474 184 E N 1.970 122.106 120.200 -0.107 0.000 2.183 184 E HA 0.597 4.948 4.350 0.001 0.000 0.271 184 E C -1.460 174.925 176.600 -0.359 0.000 0.919 184 E CA -0.717 55.586 56.400 -0.163 0.000 0.781 184 E CB 2.447 32.091 29.700 -0.093 0.000 1.140 184 E HN 0.648 nan 8.360 nan 0.000 0.402 185 V N 1.337 121.022 119.914 -0.381 0.000 3.113 185 V HA 0.624 4.744 4.120 0.001 0.000 0.316 185 V C -0.497 175.483 176.094 -0.190 0.000 1.125 185 V CA -1.035 60.902 62.300 -0.604 0.000 1.026 185 V CB 1.517 32.981 31.823 -0.597 0.000 1.080 185 V HN 0.655 nan 8.190 nan 0.000 0.444 186 L N 1.143 122.447 121.223 0.134 0.000 2.344 186 L HA 0.556 4.896 4.340 0.001 0.000 0.272 186 L C -0.114 176.949 176.870 0.321 0.000 1.035 186 L CA -0.666 54.312 54.840 0.230 0.000 0.807 186 L CB 1.511 43.746 42.059 0.294 0.000 1.237 186 L HN 0.701 nan 8.230 nan 0.000 0.442 187 D N 0.119 120.637 120.400 0.196 0.000 2.357 187 D HA -0.007 4.634 4.640 0.001 0.000 0.242 187 D C 0.658 177.132 176.300 0.290 0.000 1.153 187 D CA -0.049 54.056 54.000 0.175 0.000 0.918 187 D CB 0.812 41.654 40.800 0.070 0.000 1.181 187 D HN 0.308 nan 8.370 nan 0.000 0.435 188 Y N 0.778 121.071 120.300 -0.012 0.000 2.274 188 Y HA -0.124 4.427 4.550 0.001 0.000 0.290 188 Y C 2.285 178.150 175.900 -0.058 0.000 1.145 188 Y CA 0.624 58.687 58.100 -0.062 0.000 1.203 188 Y CB -1.050 37.351 38.460 -0.099 0.000 0.984 188 Y HN 0.446 nan 8.280 nan 0.000 0.533 189 A N 0.186 123.081 122.820 0.125 0.000 1.902 189 A HA -0.186 4.134 4.320 0.001 0.000 0.217 189 A C 2.036 179.641 177.584 0.035 0.000 1.181 189 A CA 1.929 53.996 52.037 0.050 0.000 0.623 189 A CB -0.672 18.351 19.000 0.038 0.000 0.818 189 A HN 0.305 nan 8.150 nan 0.000 0.443 190 D N -0.308 120.128 120.400 0.059 0.000 2.123 190 D HA -0.166 4.474 4.640 0.001 0.000 0.196 190 D C 2.015 178.335 176.300 0.033 0.000 0.992 190 D CA 1.525 55.557 54.000 0.053 0.000 0.833 190 D CB -0.370 40.477 40.800 0.078 0.000 0.954 190 D HN 0.519 nan 8.370 nan 0.000 0.455 191 M N 0.378 119.990 119.600 0.019 0.000 2.086 191 M HA -0.106 4.374 4.480 0.001 0.000 0.261 191 M C 2.353 178.600 176.300 -0.088 0.000 1.067 191 M CA 1.383 56.653 55.300 -0.050 0.000 1.116 191 M CB -0.204 32.318 32.600 -0.130 0.000 1.348 191 M HN -0.029 nan 8.290 nan 0.000 0.407 192 A N 0.461 123.217 122.820 -0.105 0.000 1.940 192 A HA -0.184 4.136 4.320 0.001 0.000 0.219 192 A C 2.267 179.814 177.584 -0.061 0.000 1.176 192 A CA 2.206 54.163 52.037 -0.132 0.000 0.631 192 A CB -1.002 17.914 19.000 -0.140 0.000 0.814 192 A HN 0.604 nan 8.150 nan 0.000 0.446 193 S N -1.052 114.635 115.700 -0.021 0.000 2.474 193 S HA -0.022 4.449 4.470 0.001 0.000 0.235 193 S C 1.411 176.028 174.600 0.029 0.000 0.997 193 S CA 1.291 59.496 58.200 0.008 0.000 0.949 193 S CB -0.303 62.907 63.200 0.018 0.000 0.766 193 S HN 0.215 nan 8.310 nan 0.000 0.517 194 L N 1.572 122.816 121.223 0.034 0.000 2.509 194 L HA 0.366 4.706 4.340 0.001 0.000 0.222 194 L C 0.490 177.432 176.870 0.121 0.000 1.123 194 L CA 0.175 55.073 54.840 0.097 0.000 0.856 194 L CB -0.413 41.714 42.059 0.113 0.000 0.985 194 L HN 0.168 nan 8.230 nan 0.000 0.456 195 V N 1.248 121.181 119.914 0.031 0.000 2.585 195 V HA -0.028 4.092 4.120 0.001 0.000 0.296 195 V C 0.823 176.960 176.094 0.072 0.000 1.035 195 V CA -0.308 62.001 62.300 0.015 0.000 1.084 195 V CB 0.467 32.272 31.823 -0.029 0.000 0.953 195 V HN 0.320 nan 8.190 nan 0.000 0.483 196 N N 4.954 123.712 118.700 0.095 0.000 2.421 196 N HA 0.036 4.777 4.740 0.001 0.000 0.260 196 N C 1.111 176.671 175.510 0.083 0.000 1.173 196 N CA -0.087 53.027 53.050 0.107 0.000 0.960 196 N CB 1.058 39.624 38.487 0.132 0.000 1.273 196 N HN 0.596 nan 8.380 nan 0.000 0.497 197 Q N 2.965 122.812 119.800 0.078 0.000 2.096 197 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 197 Q C 0.998 177.047 176.000 0.083 0.000 0.982 197 Q CA 1.706 57.560 55.803 0.084 0.000 0.850 197 Q CB 0.029 28.811 28.738 0.072 0.000 0.901 197 Q HN 0.506 nan 8.270 nan 0.000 0.422 198 K N 0.678 121.119 120.400 0.069 0.000 2.097 198 K HA -0.005 4.316 4.320 0.001 0.000 0.205 198 K C 1.983 178.629 176.600 0.077 0.000 1.050 198 K CA 1.148 57.473 56.287 0.063 0.000 0.938 198 K CB -0.497 32.032 32.500 0.049 0.000 0.718 198 K HN 0.194 nan 8.250 nan 0.000 0.442 199 A N 0.921 123.791 122.820 0.082 0.000 1.898 199 A HA -0.112 4.208 4.320 0.001 0.000 0.216 199 A C 2.111 179.770 177.584 0.123 0.000 1.181 199 A CA 1.254 53.346 52.037 0.091 0.000 0.620 199 A CB -0.620 18.424 19.000 0.074 0.000 0.819 199 A HN 0.238 nan 8.150 nan 0.000 0.442 200 L N -0.134 121.164 121.223 0.125 0.000 2.017 200 L HA -0.063 4.278 4.340 0.001 0.000 0.208 200 L C 2.643 179.639 176.870 0.209 0.000 1.073 200 L CA 2.269 57.220 54.840 0.186 0.000 0.745 200 L CB -0.870 41.297 42.059 0.179 0.000 0.894 200 L HN 0.336 nan 8.230 nan 0.000 0.432 201 A N -0.760 122.139 122.820 0.132 0.000 1.902 201 A HA -0.234 4.086 4.320 0.001 0.000 0.217 201 A C 2.155 179.783 177.584 0.074 0.000 1.181 201 A CA 1.808 53.897 52.037 0.086 0.000 0.623 201 A CB -0.688 18.346 19.000 0.057 0.000 0.818 201 A HN 0.615 nan 8.150 nan 0.000 0.443 202 E N -1.309 118.946 120.200 0.092 0.000 2.118 202 E HA -0.200 4.150 4.350 0.001 0.000 0.195 202 E C 1.711 178.376 176.600 0.108 0.000 0.992 202 E CA 1.357 57.804 56.400 0.078 0.000 0.804 202 E CB -0.304 29.448 29.700 0.087 0.000 0.741 202 E HN 0.733 nan 8.360 nan 0.000 0.458 203 F N 2.067 122.023 119.950 0.011 0.000 2.134 203 F HA -0.174 4.353 4.527 0.000 0.000 0.299 203 F C 2.027 177.836 175.800 0.015 0.000 1.097 203 F CA 1.398 59.403 58.000 0.008 0.000 1.264 203 F CB 0.040 39.044 39.000 0.008 0.000 1.001 203 F HN -0.168 nan 8.300 nan 0.000 0.479 204 R N 0.902 121.278 120.500 -0.207 0.000 2.070 204 R HA -0.068 4.273 4.340 0.001 0.000 0.233 204 R C 2.464 178.665 176.300 -0.164 0.000 1.137 204 R CA 1.415 57.336 56.100 -0.298 0.000 0.945 204 R CB -1.680 28.549 30.300 -0.118 0.000 0.845 204 R HN 0.414 nan 8.270 nan 0.000 0.430 205 A N 2.356 125.122 122.820 -0.090 0.000 2.019 205 A HA -0.199 4.121 4.320 0.001 0.000 0.219 205 A C 1.985 179.532 177.584 -0.062 0.000 1.164 205 A CA 1.814 53.790 52.037 -0.101 0.000 0.644 205 A CB -0.330 18.601 19.000 -0.114 0.000 0.805 205 A HN 0.489 nan 8.150 nan 0.000 0.449 206 K N -0.714 119.657 120.400 -0.047 0.000 2.404 206 K HA 0.248 4.568 4.320 0.001 0.000 0.194 206 K C 0.324 176.927 176.600 0.005 0.000 1.023 206 K CA 0.325 56.594 56.287 -0.030 0.000 1.094 206 K CB 0.125 32.601 32.500 -0.040 0.000 0.841 206 K HN 0.184 nan 8.250 nan 0.000 0.523 207 S N 1.446 117.126 115.700 -0.032 0.000 2.600 207 S HA 0.186 4.656 4.470 0.001 0.000 0.265 207 S C 0.231 174.899 174.600 0.115 0.000 1.325 207 S CA -0.619 57.563 58.200 -0.030 0.000 1.002 207 S CB 0.420 63.471 63.200 -0.247 0.000 0.921 207 S HN 0.216 nan 8.310 nan 0.000 0.554 208 M N 3.071 122.704 119.600 0.056 0.000 2.252 208 M HA 0.140 4.621 4.480 0.001 0.000 0.348 208 M C 0.268 176.470 176.300 -0.164 0.000 1.334 208 M CA 0.645 55.896 55.300 -0.081 0.000 1.071 208 M CB -0.137 32.377 32.600 -0.143 0.000 1.763 208 M HN 0.507 nan 8.290 nan 0.000 0.452 209 N N 4.505 123.036 118.700 -0.282 0.000 2.929 209 N HA 0.178 4.918 4.740 0.001 0.000 0.245 209 N C -2.556 172.713 175.510 -0.402 0.000 1.081 209 N CA -0.953 51.866 53.050 -0.385 0.000 1.048 209 N CB 2.129 40.254 38.487 -0.602 0.000 1.629 209 N HN 0.223 nan 8.380 nan 0.000 0.598 210 P HA -0.090 nan 4.420 nan 0.000 0.223 210 P C 0.657 177.862 177.300 -0.157 0.000 1.144 210 P CA 1.076 64.070 63.100 -0.176 0.000 0.783 210 P CB 0.667 32.294 31.700 -0.120 0.000 0.771 211 E N -0.221 119.855 120.200 -0.208 0.000 2.274 211 E HA -0.115 4.235 4.350 0.001 0.000 0.194 211 E C 0.787 177.392 176.600 0.008 0.000 0.996 211 E CA 0.710 57.062 56.400 -0.081 0.000 0.840 211 E CB -0.282 29.413 29.700 -0.008 0.000 0.772 211 E HN 0.550 nan 8.360 nan 0.000 0.491 212 H N -2.494 116.573 119.070 -0.006 0.000 2.803 212 H HA 0.265 4.821 4.556 0.001 0.000 0.219 212 H C -2.797 172.552 175.328 0.036 0.000 1.379 212 H CA -1.710 54.346 56.048 0.013 0.000 1.415 212 H CB -0.309 29.462 29.762 0.015 0.000 1.943 212 H HN -0.043 nan 8.280 nan 0.000 0.569 213 P HA 0.156 nan 4.420 nan 0.000 0.272 213 P C -0.085 177.267 177.300 0.087 0.000 1.240 213 P CA 0.399 63.477 63.100 -0.036 0.000 0.791 213 P CB 1.618 33.267 31.700 -0.085 0.000 0.978 214 H N -1.735 117.332 119.070 -0.005 0.000 2.948 214 H HA 0.537 5.093 4.556 0.001 0.000 0.315 214 H C -1.615 173.713 175.328 -0.001 0.000 1.360 214 H CA -1.063 54.990 56.048 0.008 0.000 1.125 214 H CB 1.309 31.084 29.762 0.022 0.000 1.844 214 H HN 0.350 nan 8.280 nan 0.000 0.529 215 V N 1.092 121.066 119.914 0.100 0.000 2.628 215 V HA 0.724 4.844 4.120 0.001 0.000 0.306 215 V C -0.406 175.786 176.094 0.164 0.000 1.045 215 V CA -0.714 61.599 62.300 0.022 0.000 0.905 215 V CB 1.705 33.542 31.823 0.022 0.000 0.997 215 V HN 1.094 nan 8.190 nan 0.000 0.436 216 R N 3.757 124.319 120.500 0.103 0.000 2.854 216 R HA 0.797 5.138 4.340 0.001 0.000 0.271 216 R C 0.304 176.663 176.300 0.099 0.000 0.994 216 R CA -0.364 55.829 56.100 0.155 0.000 0.945 216 R CB 1.730 32.158 30.300 0.213 0.000 1.194 216 R HN 2.154 nan 8.270 nan 0.000 0.476 217 G N 1.498 110.367 108.800 0.114 0.000 2.326 217 G HA2 -0.280 3.680 3.960 0.001 0.000 0.286 217 G HA3 -0.280 3.680 3.960 0.001 0.000 0.286 217 G C 0.031 174.978 174.900 0.078 0.000 1.096 217 G CA 0.358 45.520 45.100 0.103 0.000 1.003 217 G HN 1.064 nan 8.290 nan 0.000 0.503 218 T N -2.071 112.532 114.554 0.082 0.000 2.788 218 T HA 0.802 5.153 4.350 0.001 0.000 0.280 218 T C 0.572 175.316 174.700 0.072 0.000 0.984 218 T CA 0.292 62.433 62.100 0.069 0.000 0.972 218 T CB 2.146 71.057 68.868 0.071 0.000 1.039 218 T HN 1.855 nan 8.240 nan 0.000 0.530 219 A N 1.055 123.910 122.820 0.057 0.000 2.304 219 A HA 0.618 4.938 4.320 0.001 0.000 0.323 219 A C -0.234 177.388 177.584 0.063 0.000 1.195 219 A CA -0.858 51.208 52.037 0.048 0.000 0.826 219 A CB 0.754 19.767 19.000 0.022 0.000 1.184 219 A HN 0.831 nan 8.150 nan 0.000 0.496 220 Q N 1.519 121.370 119.800 0.085 0.000 2.365 220 Q HA 0.314 4.654 4.340 0.001 0.000 0.269 220 Q C -0.678 175.367 176.000 0.076 0.000 1.061 220 Q CA -0.613 55.260 55.803 0.116 0.000 0.816 220 Q CB 2.244 31.116 28.738 0.225 0.000 1.325 220 Q HN 0.914 nan 8.270 nan 0.000 0.446 221 N N 1.259 120.004 118.700 0.074 0.000 2.364 221 N HA 0.142 4.882 4.740 0.001 0.000 0.264 221 N C -1.830 173.731 175.510 0.086 0.000 1.263 221 N CA -1.433 51.646 53.050 0.049 0.000 0.959 221 N CB 0.512 39.024 38.487 0.041 0.000 1.204 221 N HN 0.302 nan 8.380 nan 0.000 0.550 222 P HA -0.136 nan 4.420 nan 0.000 0.220 222 P C 0.256 177.632 177.300 0.126 0.000 1.148 222 P CA 1.017 64.174 63.100 0.094 0.000 0.803 222 P CB 0.035 31.769 31.700 0.055 0.000 0.782 223 D N 0.190 120.647 120.400 0.095 0.000 2.144 223 D HA -0.169 4.471 4.640 0.001 0.000 0.199 223 D C 1.673 178.032 176.300 0.097 0.000 0.984 223 D CA 1.396 55.446 54.000 0.083 0.000 0.834 223 D CB -1.008 39.826 40.800 0.057 0.000 0.955 223 D HN 0.355 nan 8.370 nan 0.000 0.465 224 I N -4.971 115.674 120.570 0.125 0.000 4.526 224 I HA 0.275 4.445 4.170 0.001 0.000 0.330 224 I C 1.904 178.116 176.117 0.158 0.000 1.323 224 I CA -0.689 60.681 61.300 0.116 0.000 1.218 224 I CB -0.080 37.969 38.000 0.082 0.000 1.233 224 I HN -0.201 nan 8.210 nan 0.000 0.430 225 Y N 2.182 122.537 120.300 0.092 0.000 2.081 225 Y HA -0.306 4.244 4.550 0.001 0.000 0.280 225 Y C 2.281 178.282 175.900 0.170 0.000 1.163 225 Y CA 2.588 60.747 58.100 0.098 0.000 1.135 225 Y CB -0.549 37.948 38.460 0.062 0.000 0.970 225 Y HN 0.277 nan 8.280 nan 0.000 0.498 226 F N 0.462 120.420 119.950 0.013 0.000 2.091 226 F HA -0.398 4.129 4.527 0.001 0.000 0.299 226 F C 2.275 178.007 175.800 -0.112 0.000 1.103 226 F CA 1.606 59.570 58.000 -0.060 0.000 1.228 226 F CB -0.127 38.900 39.000 0.046 0.000 0.984 226 F HN 0.190 nan 8.300 nan 0.000 0.477 227 Q N 0.186 120.043 119.800 0.094 0.000 2.096 227 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 227 Q C 2.355 178.348 176.000 -0.012 0.000 0.982 227 Q CA 1.707 57.496 55.803 -0.024 0.000 0.850 227 Q CB -0.979 27.739 28.738 -0.033 0.000 0.901 227 Q HN 0.543 nan 8.270 nan 0.000 0.422 228 G N 0.179 108.956 108.800 -0.039 0.000 2.432 228 G HA2 -0.305 3.655 3.960 0.001 0.000 0.219 228 G HA3 -0.305 3.655 3.960 0.001 0.000 0.219 228 G C 1.530 176.365 174.900 -0.107 0.000 1.135 228 G CA 0.750 45.808 45.100 -0.070 0.000 0.767 228 G HN 0.161 nan 8.290 nan 0.000 0.550 229 R N 0.363 120.751 120.500 -0.187 0.000 2.115 229 R HA 0.043 4.383 4.340 0.001 0.000 0.226 229 R C 2.182 178.470 176.300 -0.020 0.000 1.100 229 R CA 1.000 57.002 56.100 -0.163 0.000 0.980 229 R CB -0.068 30.074 30.300 -0.264 0.000 0.875 229 R HN 0.202 nan 8.270 nan 0.000 0.445 230 E N -0.301 119.923 120.200 0.041 0.000 2.371 230 E HA 0.040 4.390 4.350 0.001 0.000 0.194 230 E C 1.613 178.244 176.600 0.052 0.000 1.012 230 E CA 0.771 57.204 56.400 0.056 0.000 0.860 230 E CB 0.154 29.886 29.700 0.054 0.000 0.811 230 E HN 0.397 nan 8.360 nan 0.000 0.502 231 A N 1.364 124.211 122.820 0.045 0.000 2.076 231 A HA -0.081 4.239 4.320 0.001 0.000 0.220 231 A C 2.269 179.940 177.584 0.146 0.000 1.160 231 A CA 1.586 53.666 52.037 0.072 0.000 0.653 231 A CB -0.277 18.755 19.000 0.054 0.000 0.801 231 A HN 0.218 nan 8.150 nan 0.000 0.455 232 A N -0.121 122.796 122.820 0.162 0.000 2.206 232 A HA -0.037 4.284 4.320 0.001 0.000 0.211 232 A C 1.585 179.403 177.584 0.389 0.000 1.158 232 A CA 0.853 53.067 52.037 0.294 0.000 0.761 232 A CB -0.779 18.376 19.000 0.258 0.000 0.801 232 A HN 0.730 nan 8.150 nan 0.000 0.473 233 N N 0.699 119.541 118.700 0.236 0.000 2.060 233 N HA -0.187 4.553 4.740 0.001 0.000 0.195 233 N C -1.073 174.550 175.510 0.188 0.000 1.028 233 N CA 1.721 54.891 53.050 0.200 0.000 0.861 233 N CB -0.913 37.635 38.487 0.101 0.000 1.029 233 N HN 0.349 nan 8.380 nan 0.000 0.428 234 P HA -0.160 nan 4.420 nan 0.000 0.217 234 P C 0.561 177.794 177.300 -0.110 0.000 1.148 234 P CA 1.223 64.296 63.100 -0.044 0.000 0.828 234 P CB -0.053 31.555 31.700 -0.155 0.000 0.783 235 Y N -2.629 117.698 120.300 0.046 0.000 2.184 235 Y HA -0.164 4.386 4.550 0.001 0.000 0.290 235 Y C 2.384 178.222 175.900 -0.103 0.000 1.129 235 Y CA 1.305 59.379 58.100 -0.044 0.000 1.144 235 Y CB -1.338 37.062 38.460 -0.098 0.000 0.995 235 Y HN -0.068 nan 8.280 nan 0.000 0.513 236 Y N -0.297 120.091 120.300 0.147 0.000 2.274 236 Y HA -0.226 4.325 4.550 0.001 0.000 0.290 236 Y C 2.231 178.159 175.900 0.047 0.000 1.145 236 Y CA 1.236 59.378 58.100 0.070 0.000 1.203 236 Y CB -0.684 37.802 38.460 0.044 0.000 0.984 236 Y HN 0.088 nan 8.280 nan 0.000 0.533 237 L N -0.289 121.029 121.223 0.158 0.000 2.131 237 L HA -0.228 4.112 4.340 0.001 0.000 0.210 237 L C 2.098 178.998 176.870 0.051 0.000 1.092 237 L CA 1.453 56.347 54.840 0.090 0.000 0.759 237 L CB -0.335 41.757 42.059 0.056 0.000 0.903 237 L HN 0.153 nan 8.230 nan 0.000 0.435 238 K N -0.710 119.703 120.400 0.022 0.000 2.361 238 K HA -0.036 4.284 4.320 0.001 0.000 0.196 238 K C 2.005 178.628 176.600 0.039 0.000 1.039 238 K CA 0.681 56.975 56.287 0.011 0.000 1.001 238 K CB 0.204 32.687 32.500 -0.029 0.000 0.795 238 K HN 0.211 nan 8.250 nan 0.000 0.495 239 V N 1.830 121.770 119.914 0.043 0.000 2.332 239 V HA -0.130 3.990 4.120 0.001 0.000 0.248 239 V C -1.204 174.960 176.094 0.117 0.000 1.055 239 V CA 1.492 63.843 62.300 0.084 0.000 1.038 239 V CB -0.832 31.016 31.823 0.041 0.000 0.651 239 V HN 0.107 nan 8.190 nan 0.000 0.450 240 P HA -0.065 nan 4.420 nan 0.000 0.215 240 P C 1.838 179.189 177.300 0.085 0.000 1.157 240 P CA 2.169 65.323 63.100 0.089 0.000 0.868 240 P CB -0.657 31.090 31.700 0.077 0.000 0.788 241 G N -0.288 108.551 108.800 0.065 0.000 2.432 241 G HA2 -0.203 3.757 3.960 0.001 0.000 0.219 241 G HA3 -0.203 3.757 3.960 0.001 0.000 0.219 241 G C 1.455 176.382 174.900 0.044 0.000 1.135 241 G CA 0.408 45.535 45.100 0.046 0.000 0.767 241 G HN 0.151 nan 8.290 nan 0.000 0.550 242 I N 0.869 121.484 120.570 0.074 0.000 2.179 242 I HA -0.116 4.054 4.170 0.001 0.000 0.242 242 I C 2.914 179.137 176.117 0.176 0.000 1.088 242 I CA 0.798 62.165 61.300 0.111 0.000 1.357 242 I CB -1.110 36.985 38.000 0.157 0.000 1.051 242 I HN 0.033 nan 8.210 nan 0.000 0.409 243 V N 1.551 121.569 119.914 0.174 0.000 2.295 243 V HA -0.272 3.848 4.120 0.001 0.000 0.246 243 V C 2.885 179.055 176.094 0.126 0.000 1.049 243 V CA 1.929 64.330 62.300 0.167 0.000 1.024 243 V CB -1.150 30.787 31.823 0.191 0.000 0.648 243 V HN 0.464 nan 8.190 nan 0.000 0.447 244 A N -0.580 122.295 122.820 0.091 0.000 1.908 244 A HA -0.288 4.033 4.320 0.001 0.000 0.218 244 A C 2.326 179.932 177.584 0.036 0.000 1.181 244 A CA 2.080 54.158 52.037 0.069 0.000 0.627 244 A CB -0.521 18.514 19.000 0.058 0.000 0.818 244 A HN 0.633 nan 8.150 nan 0.000 0.445 245 E N -1.326 118.863 120.200 -0.019 0.000 2.051 245 E HA -0.215 4.135 4.350 0.001 0.000 0.192 245 E C 1.824 178.324 176.600 -0.166 0.000 0.991 245 E CA 1.357 57.681 56.400 -0.127 0.000 0.799 245 E CB -0.271 29.284 29.700 -0.242 0.000 0.748 245 E HN 0.757 nan 8.360 nan 0.000 0.449 246 Y N 0.362 120.658 120.300 -0.006 0.000 2.224 246 Y HA -0.190 4.360 4.550 0.001 0.000 0.289 246 Y C 2.574 178.477 175.900 0.005 0.000 1.146 246 Y CA 1.361 59.448 58.100 -0.020 0.000 1.182 246 Y CB -0.080 38.340 38.460 -0.067 0.000 0.983 246 Y HN 0.088 nan 8.280 nan 0.000 0.524 247 M N -0.541 119.151 119.600 0.153 0.000 2.108 247 M HA -0.334 4.146 4.480 0.001 0.000 0.261 247 M C 2.047 178.437 176.300 0.150 0.000 1.066 247 M CA 1.844 57.239 55.300 0.158 0.000 1.107 247 M CB -0.468 32.233 32.600 0.167 0.000 1.356 247 M HN 0.308 nan 8.290 nan 0.000 0.406 248 Q N -0.033 119.819 119.800 0.088 0.000 2.172 248 Q HA -0.109 4.232 4.340 0.001 0.000 0.200 248 Q C 1.964 177.991 176.000 0.044 0.000 0.964 248 Q CA 1.135 56.971 55.803 0.056 0.000 0.855 248 Q CB 0.048 28.798 28.738 0.020 0.000 0.918 248 Q HN 0.466 nan 8.270 nan 0.000 0.444 249 K N -0.216 120.203 120.400 0.032 0.000 2.062 249 K HA -0.066 4.255 4.320 0.001 0.000 0.205 249 K C 2.009 178.659 176.600 0.084 0.000 1.051 249 K CA 1.052 57.361 56.287 0.036 0.000 0.941 249 K CB 0.082 32.590 32.500 0.012 0.000 0.719 249 K HN 0.016 nan 8.250 nan 0.000 0.440 250 V N 1.409 121.396 119.914 0.122 0.000 2.407 250 V HA -0.228 3.892 4.120 0.001 0.000 0.248 250 V C 2.285 178.457 176.094 0.130 0.000 1.055 250 V CA 1.980 64.359 62.300 0.132 0.000 1.049 250 V CB -0.573 31.337 31.823 0.145 0.000 0.662 250 V HN 0.333 nan 8.190 nan 0.000 0.455 251 A N 0.791 123.687 122.820 0.126 0.000 1.930 251 A HA -0.168 4.152 4.320 0.001 0.000 0.217 251 A C 2.499 180.120 177.584 0.061 0.000 1.175 251 A CA 1.903 53.999 52.037 0.097 0.000 0.627 251 A CB -0.655 18.392 19.000 0.079 0.000 0.815 251 A HN 0.678 nan 8.150 nan 0.000 0.443 252 S N -0.451 115.281 115.700 0.053 0.000 2.447 252 S HA 0.021 4.491 4.470 0.001 0.000 0.233 252 S C 1.674 176.299 174.600 0.042 0.000 1.006 252 S CA 1.231 59.454 58.200 0.037 0.000 0.957 252 S CB -0.408 62.809 63.200 0.028 0.000 0.773 252 S HN 0.452 nan 8.310 nan 0.000 0.507 253 L N 1.222 122.479 121.223 0.057 0.000 2.298 253 L HA 0.086 4.426 4.340 0.001 0.000 0.209 253 L C 2.744 179.649 176.870 0.059 0.000 1.084 253 L CA 1.422 56.297 54.840 0.058 0.000 0.816 253 L CB -0.279 41.823 42.059 0.071 0.000 0.967 253 L HN 0.614 nan 8.230 nan 0.000 0.460 254 T N -5.532 109.065 114.554 0.071 0.000 2.971 254 T HA 0.232 4.582 4.350 0.001 0.000 0.252 254 T C 1.440 176.168 174.700 0.046 0.000 1.022 254 T CA 0.593 62.733 62.100 0.066 0.000 0.980 254 T CB 0.968 69.898 68.868 0.103 0.000 1.044 254 T HN 0.319 nan 8.240 nan 0.000 0.501 255 G N 1.988 110.811 108.800 0.038 0.000 2.179 255 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 255 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 255 G C 0.102 174.996 174.900 -0.010 0.000 0.977 255 G CA -0.110 44.999 45.100 0.016 0.000 0.641 255 G HN 0.676 nan 8.290 nan 0.000 0.533 256 R N 0.971 121.468 120.500 -0.006 0.000 2.246 256 R HA 0.546 4.887 4.340 0.001 0.000 0.332 256 R C -0.431 175.737 176.300 -0.220 0.000 0.974 256 R CA -0.200 55.832 56.100 -0.113 0.000 0.837 256 R CB 1.348 31.631 30.300 -0.028 0.000 1.145 256 R HN 0.180 nan 8.270 nan 0.000 0.467 257 S N 2.604 118.105 115.700 -0.331 0.000 2.541 257 S HA 0.531 5.001 4.470 0.001 0.000 0.283 257 S C -0.958 173.359 174.600 -0.473 0.000 1.196 257 S CA -0.473 57.574 58.200 -0.256 0.000 1.062 257 S CB 0.679 63.817 63.200 -0.104 0.000 1.009 257 S HN 0.349 nan 8.310 nan 0.000 0.502 258 Y N 0.452 120.779 120.300 0.045 0.000 2.609 258 Y HA 0.602 5.152 4.550 0.001 0.000 0.342 258 Y C 0.197 176.126 175.900 0.048 0.000 1.058 258 Y CA -1.106 57.022 58.100 0.046 0.000 1.055 258 Y CB 1.599 40.083 38.460 0.040 0.000 1.292 258 Y HN 0.432 nan 8.280 nan 0.000 0.476 259 K N 0.129 120.663 120.400 0.223 0.000 2.409 259 K HA 0.385 4.705 4.320 0.001 0.000 0.252 259 K C -0.164 176.502 176.600 0.109 0.000 1.036 259 K CA -0.883 55.496 56.287 0.152 0.000 0.871 259 K CB 1.782 34.369 32.500 0.145 0.000 1.374 259 K HN 0.325 nan 8.250 nan 0.000 0.459 260 L N 0.542 121.810 121.223 0.074 0.000 2.131 260 L HA 0.017 4.357 4.340 0.001 0.000 0.210 260 L C 0.094 176.776 176.870 -0.314 0.000 1.092 260 L CA 1.737 56.525 54.840 -0.087 0.000 0.759 260 L CB -0.346 41.712 42.059 -0.003 0.000 0.903 260 L HN 0.390 nan 8.230 nan 0.000 0.435 261 F N -1.513 118.478 119.950 0.069 0.000 2.574 261 F HA 0.370 4.898 4.527 0.001 0.000 0.313 261 F C -0.242 175.613 175.800 0.092 0.000 1.130 261 F CA -1.262 56.788 58.000 0.083 0.000 0.936 261 F CB 1.645 40.675 39.000 0.050 0.000 1.219 261 F HN -0.262 nan 8.300 nan 0.000 0.445 262 D N 1.754 122.322 120.400 0.280 0.000 2.350 262 D HA 0.191 4.832 4.640 0.001 0.000 0.245 262 D C -1.484 174.946 176.300 0.217 0.000 1.036 262 D CA -0.346 53.781 54.000 0.212 0.000 0.848 262 D CB 2.811 43.707 40.800 0.160 0.000 1.307 262 D HN 0.508 nan 8.370 nan 0.000 0.469 263 Y N 1.334 121.683 120.300 0.082 0.000 2.387 263 Y HA 0.507 5.058 4.550 0.001 0.000 0.336 263 Y C -1.092 174.848 175.900 0.066 0.000 1.067 263 Y CA -0.358 57.782 58.100 0.066 0.000 1.114 263 Y CB 1.238 39.716 38.460 0.030 0.000 1.208 263 Y HN 0.102 nan 8.280 nan 0.000 0.458 264 V N 5.136 124.499 119.914 -0.919 0.000 2.808 264 V HA 0.846 4.966 4.120 0.001 0.000 0.308 264 V C -0.104 175.513 176.094 -0.795 0.000 1.099 264 V CA 0.135 62.096 62.300 -0.565 0.000 0.920 264 V CB 1.391 33.081 31.823 -0.222 0.000 1.014 264 V HN 1.227 nan 8.190 nan 0.000 0.425 265 G N 3.381 111.968 108.800 -0.356 0.000 2.331 265 G HA2 0.470 4.430 3.960 0.001 0.000 0.479 265 G HA3 0.470 4.430 3.960 0.001 0.000 0.479 265 G C -0.272 174.695 174.900 0.111 0.000 1.262 265 G CA -0.082 44.933 45.100 -0.143 0.000 1.029 265 G HN 1.671 nan 8.290 nan 0.000 0.487 266 A N 1.228 124.136 122.820 0.146 0.000 2.492 266 A HA 0.611 4.931 4.320 0.001 0.000 0.254 266 A C -0.162 177.567 177.584 0.242 0.000 1.091 266 A CA 0.080 52.211 52.037 0.156 0.000 0.768 266 A CB 0.203 19.256 19.000 0.088 0.000 1.028 266 A HN 0.622 nan 8.150 nan 0.000 0.498 267 P HA -0.132 nan 4.420 nan 0.000 0.225 267 P C 0.101 177.413 177.300 0.019 0.000 1.148 267 P CA 1.393 64.545 63.100 0.087 0.000 0.779 267 P CB 0.109 31.846 31.700 0.062 0.000 0.780 268 D N -1.278 119.150 120.400 0.048 0.000 2.501 268 D HA 0.240 4.881 4.640 0.001 0.000 0.226 268 D C 0.384 176.715 176.300 0.051 0.000 1.198 268 D CA -0.831 53.187 54.000 0.030 0.000 0.830 268 D CB -0.579 40.237 40.800 0.026 0.000 1.014 268 D HN -0.023 nan 8.370 nan 0.000 0.496 269 A N 0.735 123.608 122.820 0.089 0.000 2.561 269 A HA 0.088 4.409 4.320 0.001 0.000 0.234 269 A C 0.990 178.633 177.584 0.098 0.000 1.055 269 A CA 0.148 52.255 52.037 0.117 0.000 0.756 269 A CB 0.336 19.470 19.000 0.223 0.000 0.986 269 A HN 0.291 nan 8.150 nan 0.000 0.505 270 E N 1.245 121.502 120.200 0.095 0.000 2.330 270 E HA 0.040 4.390 4.350 0.001 0.000 0.200 270 E C 0.050 176.721 176.600 0.119 0.000 0.922 270 E CA 0.233 56.687 56.400 0.089 0.000 0.935 270 E CB 0.329 30.069 29.700 0.065 0.000 0.917 270 E HN 0.679 nan 8.360 nan 0.000 0.491 271 R N 1.505 122.099 120.500 0.155 0.000 2.343 271 R HA 0.473 4.813 4.340 0.001 0.000 0.320 271 R C -1.099 175.388 176.300 0.312 0.000 0.956 271 R CA -0.334 55.896 56.100 0.216 0.000 0.836 271 R CB 2.203 32.654 30.300 0.252 0.000 1.151 271 R HN -0.136 nan 8.270 nan 0.000 0.450 272 V N 4.975 125.055 119.914 0.277 0.000 2.823 272 V HA 0.513 4.633 4.120 0.001 0.000 0.312 272 V C -0.094 176.142 176.094 0.236 0.000 1.072 272 V CA -0.811 61.680 62.300 0.317 0.000 0.937 272 V CB 2.488 34.497 31.823 0.310 0.000 1.013 272 V HN 0.626 nan 8.190 nan 0.000 0.430 273 I N 2.955 123.657 120.570 0.220 0.000 2.525 273 I HA 0.572 4.743 4.170 0.001 0.000 0.301 273 I C -0.860 175.383 176.117 0.209 0.000 0.992 273 I CA -0.930 60.446 61.300 0.127 0.000 1.162 273 I CB 2.187 40.179 38.000 -0.013 0.000 1.332 273 I HN 0.244 nan 8.210 nan 0.000 0.458 274 V N 4.341 124.391 119.914 0.227 0.000 2.444 274 V HA 0.534 4.654 4.120 0.001 0.000 0.294 274 V C -0.254 175.996 176.094 0.260 0.000 1.022 274 V CA -0.181 62.307 62.300 0.314 0.000 0.850 274 V CB 1.572 33.647 31.823 0.420 0.000 0.992 274 V HN 0.815 nan 8.190 nan 0.000 0.426 275 S N 4.498 120.358 115.700 0.266 0.000 2.671 275 S HA 0.869 5.339 4.470 0.001 0.000 0.277 275 S C -1.231 173.536 174.600 0.278 0.000 1.165 275 S CA -0.618 57.718 58.200 0.227 0.000 0.822 275 S CB 1.973 65.231 63.200 0.096 0.000 1.150 275 S HN 0.727 nan 8.310 nan 0.000 0.479 276 M N 1.610 121.392 119.600 0.302 0.000 2.433 276 M HA 0.621 5.101 4.480 0.001 0.000 0.290 276 M C -0.220 176.301 176.300 0.368 0.000 1.173 276 M CA 0.734 56.219 55.300 0.308 0.000 0.905 276 M CB 1.572 34.369 32.600 0.328 0.000 1.692 276 M HN 1.211 nan 8.290 nan 0.000 0.462 277 G N 1.520 110.471 108.800 0.252 0.000 2.660 277 G HA2 -0.236 3.724 3.960 0.001 0.000 0.215 277 G HA3 -0.236 3.724 3.960 0.001 0.000 0.215 277 G C 0.283 175.330 174.900 0.244 0.000 1.345 277 G CA 0.171 45.439 45.100 0.280 0.000 0.877 277 G HN 1.395 nan 8.290 nan 0.000 0.549 278 S N -0.522 115.332 115.700 0.256 0.000 2.440 278 S HA -0.159 4.311 4.470 0.001 0.000 0.240 278 S C 2.658 177.402 174.600 0.239 0.000 1.014 278 S CA 2.628 60.965 58.200 0.228 0.000 0.980 278 S CB -0.749 62.588 63.200 0.229 0.000 0.775 278 S HN 2.343 nan 8.310 nan 0.000 0.499 279 S N 1.148 117.003 115.700 0.260 0.000 2.400 279 S HA -0.174 4.296 4.470 0.001 0.000 0.232 279 S C 1.977 176.722 174.600 0.241 0.000 1.025 279 S CA 1.107 59.465 58.200 0.264 0.000 0.993 279 S CB -1.603 61.580 63.200 -0.029 0.000 0.808 279 S HN 0.698 nan 8.310 nan 0.000 0.478 280 C N 1.978 121.394 119.300 0.193 0.000 2.411 280 C HA -0.014 4.447 4.460 0.001 0.000 0.279 280 C C 2.981 178.066 174.990 0.159 0.000 1.288 280 C CA 0.744 59.864 59.018 0.170 0.000 1.764 280 C CB -1.257 26.579 27.740 0.160 0.000 1.974 280 C HN 0.591 nan 8.230 nan 0.000 0.498 281 E N 0.490 120.787 120.200 0.162 0.000 2.051 281 E HA -0.148 4.203 4.350 0.001 0.000 0.192 281 E C 2.245 178.935 176.600 0.151 0.000 0.991 281 E CA 1.663 58.145 56.400 0.136 0.000 0.799 281 E CB -0.738 29.037 29.700 0.125 0.000 0.748 281 E HN 0.590 nan 8.360 nan 0.000 0.449 282 T N 1.644 116.318 114.554 0.201 0.000 2.821 282 T HA -0.053 4.297 4.350 0.001 0.000 0.267 282 T C 2.116 176.897 174.700 0.135 0.000 1.046 282 T CA 0.719 62.944 62.100 0.208 0.000 1.139 282 T CB -0.149 68.866 68.868 0.245 0.000 0.871 282 T HN 0.093 nan 8.240 nan 0.000 0.454 283 I N 0.919 121.587 120.570 0.164 0.000 2.179 283 I HA -0.154 4.016 4.170 0.001 0.000 0.242 283 I C 2.708 178.913 176.117 0.147 0.000 1.088 283 I CA 1.373 62.773 61.300 0.166 0.000 1.357 283 I CB -0.332 37.788 38.000 0.201 0.000 1.051 283 I HN 0.310 nan 8.210 nan 0.000 0.409 284 E N 1.114 121.383 120.200 0.116 0.000 2.110 284 E HA -0.298 4.053 4.350 0.001 0.000 0.193 284 E C 2.107 178.750 176.600 0.072 0.000 0.988 284 E CA 1.334 57.778 56.400 0.072 0.000 0.804 284 E CB -0.004 29.726 29.700 0.049 0.000 0.745 284 E HN 0.477 nan 8.360 nan 0.000 0.458 285 E N -0.121 120.134 120.200 0.092 0.000 2.077 285 E HA -0.170 4.180 4.350 0.001 0.000 0.193 285 E C 2.034 178.703 176.600 0.114 0.000 0.989 285 E CA 1.414 57.872 56.400 0.097 0.000 0.800 285 E CB 0.154 29.930 29.700 0.128 0.000 0.746 285 E HN 0.190 nan 8.360 nan 0.000 0.452 286 V N 1.360 121.345 119.914 0.119 0.000 2.358 286 V HA -0.244 3.876 4.120 0.001 0.000 0.246 286 V C 2.409 178.583 176.094 0.133 0.000 1.047 286 V CA 1.476 63.868 62.300 0.153 0.000 1.035 286 V CB -0.403 31.497 31.823 0.128 0.000 0.658 286 V HN 0.339 nan 8.190 nan 0.000 0.452 287 I N 0.720 121.332 120.570 0.070 0.000 2.127 287 I HA -0.329 3.842 4.170 0.001 0.000 0.241 287 I C 2.284 178.406 176.117 0.007 0.000 1.075 287 I CA 2.273 63.563 61.300 -0.016 0.000 1.334 287 I CB -0.670 37.319 38.000 -0.018 0.000 1.040 287 I HN 0.441 nan 8.210 nan 0.000 0.405 288 N N -0.549 118.174 118.700 0.039 0.000 2.104 288 N HA -0.275 4.466 4.740 0.001 0.000 0.190 288 N C 2.011 177.550 175.510 0.049 0.000 1.024 288 N CA 1.095 54.165 53.050 0.033 0.000 0.853 288 N CB -0.283 38.228 38.487 0.040 0.000 1.008 288 N HN 0.449 nan 8.380 nan 0.000 0.424 289 H N 0.695 119.769 119.070 0.007 0.000 2.357 289 H HA -0.030 4.527 4.556 0.001 0.000 0.301 289 H C 1.764 177.097 175.328 0.008 0.000 1.082 289 H CA 1.110 57.162 56.048 0.008 0.000 1.342 289 H CB 0.129 29.904 29.762 0.022 0.000 1.389 289 H HN 0.110 nan 8.280 nan 0.000 0.511 290 L N 0.759 122.020 121.223 0.062 0.000 2.179 290 L HA 0.068 4.408 4.340 0.001 0.000 0.208 290 L C 2.938 179.759 176.870 -0.081 0.000 1.096 290 L CA 1.360 56.192 54.840 -0.013 0.000 0.779 290 L CB -1.082 40.980 42.059 0.005 0.000 0.922 290 L HN 0.291 nan 8.230 nan 0.000 0.443 291 A N -0.482 122.295 122.820 -0.070 0.000 1.933 291 A HA -0.125 4.196 4.320 0.001 0.000 0.218 291 A C 2.476 180.022 177.584 -0.064 0.000 1.175 291 A CA 1.520 53.521 52.037 -0.060 0.000 0.628 291 A CB -0.796 18.180 19.000 -0.039 0.000 0.814 291 A HN 0.352 nan 8.150 nan 0.000 0.444 292 A N -0.213 122.555 122.820 -0.086 0.000 2.024 292 A HA -0.167 4.154 4.320 0.001 0.000 0.220 292 A C 1.890 179.412 177.584 -0.102 0.000 1.164 292 A CA 1.767 53.747 52.037 -0.094 0.000 0.643 292 A CB -0.363 18.560 19.000 -0.128 0.000 0.806 292 A HN 0.545 nan 8.150 nan 0.000 0.451 293 K N -1.585 118.742 120.400 -0.122 0.000 2.410 293 K HA 0.294 4.614 4.320 0.001 0.000 0.200 293 K C 1.039 177.606 176.600 -0.055 0.000 1.023 293 K CA 0.412 56.642 56.287 -0.094 0.000 1.149 293 K CB 0.076 32.510 32.500 -0.111 0.000 0.859 293 K HN 0.607 nan 8.250 nan 0.000 0.514 294 G N 1.468 110.239 108.800 -0.048 0.000 2.217 294 G HA2 -0.274 3.687 3.960 0.001 0.000 0.246 294 G HA3 -0.274 3.687 3.960 0.001 0.000 0.246 294 G C -0.206 174.677 174.900 -0.028 0.000 0.990 294 G CA -0.259 44.823 45.100 -0.030 0.000 0.627 294 G HN 0.389 nan 8.290 nan 0.000 0.522 295 E N 1.245 121.420 120.200 -0.041 0.000 2.415 295 E HA 0.191 4.542 4.350 0.001 0.000 0.263 295 E C 0.033 176.605 176.600 -0.046 0.000 0.995 295 E CA 0.142 56.513 56.400 -0.048 0.000 0.915 295 E CB 0.425 30.078 29.700 -0.080 0.000 0.951 295 E HN 0.085 nan 8.360 nan 0.000 0.449 296 K N 4.430 124.817 120.400 -0.021 0.000 2.180 296 K HA 0.267 4.588 4.320 0.001 0.000 0.250 296 K C 0.132 176.740 176.600 0.014 0.000 1.135 296 K CA -0.010 56.282 56.287 0.007 0.000 1.037 296 K CB -0.725 31.791 32.500 0.027 0.000 1.624 296 K HN 0.458 nan 8.250 nan 0.000 0.382 297 I N -2.908 117.646 120.570 -0.027 0.000 3.042 297 I HA 0.868 5.038 4.170 0.001 0.000 0.310 297 I C -0.082 176.067 176.117 0.052 0.000 1.117 297 I CA -1.169 60.115 61.300 -0.028 0.000 1.003 297 I CB 2.671 40.418 38.000 -0.421 0.000 1.228 297 I HN 0.266 nan 8.210 nan 0.000 0.443 298 G N 2.063 110.977 108.800 0.190 0.000 2.645 298 G HA2 0.649 4.609 3.960 0.001 0.000 0.292 298 G HA3 0.649 4.609 3.960 0.001 0.000 0.292 298 G C -2.317 172.684 174.900 0.168 0.000 1.415 298 G CA -0.729 44.446 45.100 0.124 0.000 0.785 298 G HN 0.803 nan 8.290 nan 0.000 0.483 299 L N -0.457 120.699 121.223 -0.112 0.000 2.455 299 L HA 0.780 5.120 4.340 0.001 0.000 0.264 299 L C -1.381 175.497 176.870 0.014 0.000 0.968 299 L CA -0.708 54.156 54.840 0.040 0.000 0.827 299 L CB 1.905 44.003 42.059 0.066 0.000 1.317 299 L HN 0.490 nan 8.230 nan 0.000 0.407 300 I N 4.505 125.195 120.570 0.200 0.000 2.328 300 I HA 0.369 4.539 4.170 0.001 0.000 0.287 300 I C -0.321 175.967 176.117 0.285 0.000 1.012 300 I CA -0.617 60.839 61.300 0.260 0.000 1.195 300 I CB 1.185 39.342 38.000 0.263 0.000 1.350 300 I HN 0.568 nan 8.210 nan 0.000 0.464 301 K N 5.932 126.484 120.400 0.253 0.000 2.227 301 K HA 0.393 4.714 4.320 0.001 0.000 0.280 301 K C -0.473 176.297 176.600 0.283 0.000 1.041 301 K CA -0.518 55.914 56.287 0.241 0.000 0.905 301 K CB 2.185 34.791 32.500 0.178 0.000 1.068 301 K HN 0.436 nan 8.250 nan 0.000 0.470 302 V N 3.105 123.186 119.914 0.277 0.000 2.407 302 V HA 0.313 4.433 4.120 0.001 0.000 0.278 302 V C 0.232 176.309 176.094 -0.028 0.000 1.037 302 V CA -0.180 62.190 62.300 0.116 0.000 0.900 302 V CB 1.427 33.448 31.823 0.329 0.000 0.983 302 V HN 0.729 nan 8.190 nan 0.000 0.459 303 R N 4.189 124.566 120.500 -0.205 0.000 2.084 303 R HA 0.451 4.791 4.340 0.001 0.000 0.209 303 R C 0.252 176.475 176.300 -0.129 0.000 1.173 303 R CA 0.395 56.418 56.100 -0.129 0.000 1.053 303 R CB -0.361 29.884 30.300 -0.091 0.000 0.948 303 R HN 0.658 nan 8.270 nan 0.000 0.460 304 L N 1.567 122.642 121.223 -0.247 0.000 2.282 304 L HA 0.196 4.537 4.340 0.001 0.000 0.287 304 L C 0.210 177.010 176.870 -0.116 0.000 1.075 304 L CA -0.160 54.602 54.840 -0.129 0.000 0.839 304 L CB 0.677 42.661 42.059 -0.124 0.000 1.219 304 L HN 0.206 nan 8.230 nan 0.000 0.434 305 Y N 4.898 125.208 120.300 0.017 0.000 2.314 305 Y HA 0.280 4.830 4.550 0.001 0.000 0.294 305 Y C 0.466 176.512 175.900 0.244 0.000 1.119 305 Y CA 0.683 58.900 58.100 0.194 0.000 1.179 305 Y CB 0.362 38.990 38.460 0.280 0.000 1.025 305 Y HN 0.408 nan 8.280 nan 0.000 0.541 306 R N 0.626 121.119 120.500 -0.011 0.000 2.538 306 R HA 0.345 4.685 4.340 0.001 0.000 0.292 306 R C -3.021 173.243 176.300 -0.059 0.000 1.008 306 R CA -2.437 53.617 56.100 -0.077 0.000 0.896 306 R CB 1.428 31.700 30.300 -0.047 0.000 1.187 306 R HN -0.001 nan 8.270 nan 0.000 0.440 307 P HA 0.106 nan 4.420 nan 0.000 0.271 307 P C -0.600 176.739 177.300 0.065 0.000 1.216 307 P CA -0.187 62.941 63.100 0.048 0.000 0.776 307 P CB 0.345 32.105 31.700 0.099 0.000 0.881 308 F N 4.012 123.920 119.950 -0.070 0.000 2.413 308 F HA 0.230 4.757 4.527 0.000 0.000 0.359 308 F C -0.305 175.551 175.800 0.095 0.000 1.122 308 F CA -0.211 57.793 58.000 0.005 0.000 1.160 308 F CB 0.389 39.328 39.000 -0.101 0.000 1.146 308 F HN -0.037 nan 8.300 nan 0.000 0.514 309 V N 6.886 126.792 119.914 -0.014 0.000 2.304 309 V HA 0.076 4.197 4.120 0.001 0.000 0.269 309 V C 0.896 176.975 176.094 -0.025 0.000 1.036 309 V CA -0.089 62.251 62.300 0.067 0.000 0.840 309 V CB 0.443 32.333 31.823 0.113 0.000 1.036 309 V HN 0.953 nan 8.190 nan 0.000 0.466 310 S N 2.944 118.677 115.700 0.055 0.000 2.374 310 S HA -0.256 4.215 4.470 0.001 0.000 0.227 310 S C 1.910 176.567 174.600 0.096 0.000 1.037 310 S CA 2.101 60.319 58.200 0.031 0.000 1.024 310 S CB -0.093 63.222 63.200 0.190 0.000 0.861 310 S HN 0.933 nan 8.310 nan 0.000 0.456 311 E N 1.116 121.410 120.200 0.155 0.000 2.085 311 E HA -0.185 4.165 4.350 0.001 0.000 0.194 311 E C 2.031 178.696 176.600 0.109 0.000 0.994 311 E CA 1.166 57.668 56.400 0.170 0.000 0.801 311 E CB -0.256 29.514 29.700 0.117 0.000 0.743 311 E HN 0.511 nan 8.360 nan 0.000 0.453 312 A N 0.185 123.055 122.820 0.083 0.000 2.014 312 A HA -0.081 4.239 4.320 0.001 0.000 0.218 312 A C 1.886 179.434 177.584 -0.060 0.000 1.163 312 A CA 0.814 52.923 52.037 0.120 0.000 0.652 312 A CB -0.674 18.502 19.000 0.294 0.000 0.808 312 A HN 0.509 nan 8.150 nan 0.000 0.449 313 F N -0.129 119.444 119.950 -0.628 0.000 2.075 313 F HA -0.119 4.408 4.527 0.001 0.000 0.297 313 F C 1.849 177.300 175.800 -0.582 0.000 1.113 313 F CA 1.682 58.983 58.000 -1.166 0.000 1.218 313 F CB -0.511 37.624 39.000 -1.441 0.000 0.984 313 F HN 0.215 nan 8.300 nan 0.000 0.472 314 F N 0.478 120.258 119.950 -0.282 0.000 2.269 314 F HA -0.116 4.411 4.527 0.001 0.000 0.301 314 F C 2.503 178.155 175.800 -0.247 0.000 1.082 314 F CA 0.777 58.606 58.000 -0.285 0.000 1.360 314 F CB -0.847 38.083 39.000 -0.118 0.000 1.041 314 F HN 0.109 nan 8.300 nan 0.000 0.512 315 A N -0.295 122.513 122.820 -0.020 0.000 2.121 315 A HA 0.095 4.416 4.320 0.001 0.000 0.218 315 A C 2.106 179.647 177.584 -0.071 0.000 1.154 315 A CA 1.382 53.409 52.037 -0.016 0.000 0.679 315 A CB -0.759 18.255 19.000 0.025 0.000 0.795 315 A HN 0.281 nan 8.150 nan 0.000 0.458 316 A N -1.336 121.385 122.820 -0.165 0.000 2.348 316 A HA 0.462 4.782 4.320 0.001 0.000 0.224 316 A C 0.665 178.096 177.584 -0.254 0.000 1.227 316 A CA -0.164 51.799 52.037 -0.123 0.000 0.885 316 A CB 0.040 19.029 19.000 -0.019 0.000 0.933 316 A HN 0.408 nan 8.150 nan 0.000 0.506 317 L N 1.776 122.798 121.223 -0.336 0.000 2.264 317 L HA 0.438 4.778 4.340 0.001 0.000 0.289 317 L C -2.884 173.852 176.870 -0.223 0.000 1.044 317 L CA -1.775 52.891 54.840 -0.289 0.000 0.807 317 L CB 1.121 43.018 42.059 -0.271 0.000 1.192 317 L HN -0.019 nan 8.230 nan 0.000 0.425 318 P HA 0.092 nan 4.420 nan 0.000 0.268 318 P C 0.271 177.530 177.300 -0.068 0.000 1.204 318 P CA -0.028 62.926 63.100 -0.242 0.000 0.768 318 P CB 0.883 32.421 31.700 -0.269 0.000 0.842 319 A N 2.712 125.505 122.820 -0.045 0.000 2.067 319 A HA -0.126 4.195 4.320 0.001 0.000 0.219 319 A C 1.886 179.485 177.584 0.024 0.000 1.158 319 A CA 1.714 53.755 52.037 0.006 0.000 0.661 319 A CB -1.127 17.870 19.000 -0.005 0.000 0.801 319 A HN 0.577 nan 8.150 nan 0.000 0.452 320 S N -0.271 115.434 115.700 0.009 0.000 2.561 320 S HA 0.422 4.892 4.470 0.001 0.000 0.225 320 S C 0.965 175.594 174.600 0.048 0.000 0.977 320 S CA 0.259 58.475 58.200 0.026 0.000 0.926 320 S CB -0.618 62.593 63.200 0.018 0.000 0.769 320 S HN 0.859 nan 8.310 nan 0.000 0.533 321 A N 1.713 124.570 122.820 0.062 0.000 2.522 321 A HA 0.308 4.629 4.320 0.001 0.000 0.256 321 A C 0.990 178.625 177.584 0.085 0.000 1.086 321 A CA -0.175 51.918 52.037 0.093 0.000 0.763 321 A CB 0.106 19.182 19.000 0.127 0.000 1.024 321 A HN 0.509 nan 8.150 nan 0.000 0.502 322 K N 1.282 121.726 120.400 0.074 0.000 2.367 322 K HA 0.298 4.619 4.320 0.001 0.000 0.195 322 K C -0.704 175.920 176.600 0.041 0.000 1.060 322 K CA 0.429 56.747 56.287 0.051 0.000 1.022 322 K CB 0.835 33.362 32.500 0.045 0.000 0.894 322 K HN 0.503 nan 8.250 nan 0.000 0.540 323 V N 2.197 122.148 119.914 0.062 0.000 2.777 323 V HA 0.360 4.481 4.120 0.001 0.000 0.306 323 V C -1.294 174.854 176.094 0.089 0.000 1.112 323 V CA -1.151 61.182 62.300 0.055 0.000 0.917 323 V CB 1.857 33.716 31.823 0.061 0.000 1.018 323 V HN 0.140 nan 8.190 nan 0.000 0.426 324 I N 2.464 123.079 120.570 0.075 0.000 2.582 324 I HA 0.900 5.071 4.170 0.001 0.000 0.292 324 I C -0.346 175.844 176.117 0.121 0.000 1.066 324 I CA -0.098 61.280 61.300 0.129 0.000 1.053 324 I CB 2.506 40.618 38.000 0.187 0.000 1.241 324 I HN 0.710 nan 8.210 nan 0.000 0.421 325 T N 5.502 120.133 114.554 0.129 0.000 2.824 325 T HA 0.737 5.087 4.350 0.001 0.000 0.282 325 T C -0.844 173.939 174.700 0.138 0.000 0.993 325 T CA -0.542 61.632 62.100 0.123 0.000 0.967 325 T CB 1.292 70.241 68.868 0.136 0.000 0.960 325 T HN 0.560 nan 8.240 nan 0.000 0.441 326 V N 5.476 125.480 119.914 0.149 0.000 2.383 326 V HA 0.432 4.552 4.120 0.001 0.000 0.275 326 V C -0.343 175.800 176.094 0.083 0.000 1.036 326 V CA -0.911 61.497 62.300 0.180 0.000 0.889 326 V CB 0.921 32.911 31.823 0.278 0.000 0.985 326 V HN 0.753 nan 8.190 nan 0.000 0.459 327 L N 4.930 126.211 121.223 0.098 0.000 2.275 327 L HA 0.517 4.857 4.340 0.001 0.000 0.288 327 L C 0.094 177.107 176.870 0.237 0.000 1.046 327 L CA 0.213 55.096 54.840 0.072 0.000 0.805 327 L CB 1.011 42.995 42.059 -0.126 0.000 1.193 327 L HN 0.604 nan 8.230 nan 0.000 0.426 328 D N 3.141 123.657 120.400 0.194 0.000 2.278 328 D HA 0.261 4.902 4.640 0.001 0.000 0.245 328 D C 0.020 176.325 176.300 0.008 0.000 1.052 328 D CA -0.424 53.681 54.000 0.176 0.000 0.834 328 D CB 1.980 42.806 40.800 0.044 0.000 1.194 328 D HN 0.322 nan 8.370 nan 0.000 0.481 329 R N 1.814 122.248 120.500 -0.111 0.000 4.306 329 R HA 0.217 4.557 4.340 0.001 0.000 0.266 329 R C -0.377 175.784 176.300 -0.231 0.000 1.624 329 R CA 0.034 55.767 56.100 -0.611 0.000 1.487 329 R CB 0.134 29.792 30.300 -1.069 0.000 1.441 329 R HN 0.368 nan 8.270 nan 0.000 0.750 330 T N -0.847 113.653 114.554 -0.090 0.000 2.677 330 T HA 0.239 4.589 4.350 0.001 0.000 0.305 330 T C -2.046 172.622 174.700 -0.053 0.000 1.569 330 T CA -0.721 61.376 62.100 -0.004 0.000 0.984 330 T CB 1.419 70.394 68.868 0.178 0.000 1.629 330 T HN 0.184 nan 8.240 nan 0.000 0.494 331 K N 2.026 122.403 120.400 -0.038 0.000 2.652 331 K HA 0.330 4.650 4.320 0.001 0.000 0.249 331 K C -1.352 175.222 176.600 -0.043 0.000 0.986 331 K CA -0.364 55.893 56.287 -0.050 0.000 0.867 331 K CB 1.236 33.712 32.500 -0.039 0.000 1.201 331 K HN 0.633 nan 8.250 nan 0.000 0.450 332 E N 4.957 125.120 120.200 -0.061 0.000 2.103 332 E HA 0.218 4.569 4.350 0.001 0.000 0.254 332 E C -2.468 174.105 176.600 -0.046 0.000 0.940 332 E CA -1.965 54.404 56.400 -0.053 0.000 0.771 332 E CB 1.105 30.762 29.700 -0.073 0.000 1.153 332 E HN 0.320 nan 8.360 nan 0.000 0.428 333 P HA -0.096 nan 4.420 nan 0.000 0.258 333 P C 0.901 178.180 177.300 -0.035 0.000 1.172 333 P CA 1.023 64.103 63.100 -0.032 0.000 0.762 333 P CB 0.426 32.116 31.700 -0.017 0.000 0.764 334 G N 2.196 110.969 108.800 -0.045 0.000 2.253 334 G HA2 -0.227 3.733 3.960 0.001 0.000 0.251 334 G HA3 -0.227 3.733 3.960 0.001 0.000 0.251 334 G C 0.517 175.387 174.900 -0.049 0.000 0.998 334 G CA 0.009 45.082 45.100 -0.045 0.000 0.621 334 G HN 0.867 nan 8.290 nan 0.000 0.524 335 A N 1.123 123.913 122.820 -0.049 0.000 2.425 335 A HA 0.620 4.940 4.320 0.001 0.000 0.242 335 A C 0.144 177.698 177.584 -0.050 0.000 1.077 335 A CA 0.045 52.057 52.037 -0.041 0.000 0.781 335 A CB 0.371 19.348 19.000 -0.039 0.000 1.020 335 A HN 0.255 nan 8.150 nan 0.000 0.494 336 P HA 0.149 nan 4.420 nan 0.000 0.237 336 P C 0.498 177.836 177.300 0.064 0.000 1.178 336 P CA 1.321 64.413 63.100 -0.013 0.000 0.766 336 P CB 0.171 31.892 31.700 0.035 0.000 0.876 337 G N -0.815 108.041 108.800 0.095 0.000 2.387 337 G HA2 0.199 4.160 3.960 0.001 0.000 0.294 337 G HA3 0.199 4.160 3.960 0.001 0.000 0.294 337 G C -1.930 173.031 174.900 0.102 0.000 1.509 337 G CA -0.614 44.607 45.100 0.201 0.000 0.806 337 G HN -0.208 nan 8.290 nan 0.000 0.546 338 D N 0.494 120.925 120.400 0.053 0.000 2.383 338 D HA 0.335 4.976 4.640 0.001 0.000 0.248 338 D C -1.244 175.007 176.300 -0.082 0.000 1.170 338 D CA -1.244 52.713 54.000 -0.073 0.000 0.977 338 D CB 1.620 42.345 40.800 -0.124 0.000 1.120 338 D HN -0.013 nan 8.370 nan 0.000 0.481 339 P HA -0.199 nan 4.420 nan 0.000 0.214 339 P C 1.594 178.876 177.300 -0.030 0.000 1.172 339 P CA 0.869 63.797 63.100 -0.286 0.000 0.925 339 P CB 0.126 31.332 31.700 -0.824 0.000 0.793 340 L N -1.858 119.394 121.223 0.048 0.000 2.042 340 L HA -0.190 4.151 4.340 0.001 0.000 0.210 340 L C 2.431 179.387 176.870 0.144 0.000 1.076 340 L CA 1.746 56.742 54.840 0.259 0.000 0.749 340 L CB -1.734 40.539 42.059 0.357 0.000 0.893 340 L HN -0.047 nan 8.230 nan 0.000 0.432 341 Y N -0.698 119.605 120.300 0.004 0.000 2.097 341 Y HA -0.286 4.265 4.550 0.001 0.000 0.282 341 Y C 2.266 178.134 175.900 -0.053 0.000 1.152 341 Y CA 1.959 60.049 58.100 -0.018 0.000 1.136 341 Y CB -0.535 37.905 38.460 -0.035 0.000 0.975 341 Y HN 0.176 nan 8.280 nan 0.000 0.498 342 L N 0.846 121.989 121.223 -0.133 0.000 2.042 342 L HA -0.238 4.103 4.340 0.001 0.000 0.210 342 L C 2.085 178.764 176.870 -0.319 0.000 1.076 342 L CA 1.972 56.654 54.840 -0.263 0.000 0.749 342 L CB -1.266 40.728 42.059 -0.108 0.000 0.893 342 L HN 0.291 nan 8.230 nan 0.000 0.432 343 D N -1.091 119.100 120.400 -0.349 0.000 2.144 343 D HA -0.129 4.511 4.640 0.001 0.000 0.199 343 D C 2.359 178.237 176.300 -0.703 0.000 0.984 343 D CA 1.078 54.674 54.000 -0.673 0.000 0.834 343 D CB -0.067 40.069 40.800 -1.106 0.000 0.955 343 D HN 0.176 nan 8.370 nan 0.000 0.465 344 V N 0.553 120.188 119.914 -0.465 0.000 2.379 344 V HA -0.218 3.903 4.120 0.001 0.000 0.245 344 V C 2.701 178.709 176.094 -0.143 0.000 1.044 344 V CA 1.061 63.150 62.300 -0.353 0.000 1.036 344 V CB -0.489 31.253 31.823 -0.136 0.000 0.664 344 V HN 0.271 nan 8.190 nan 0.000 0.453 345 C N 0.811 119.973 119.300 -0.230 0.000 2.413 345 C HA -0.158 4.303 4.460 0.001 0.000 0.276 345 C C 3.308 178.274 174.990 -0.040 0.000 1.248 345 C CA 1.572 60.506 59.018 -0.141 0.000 1.742 345 C CB -1.121 26.394 27.740 -0.374 0.000 2.017 345 C HN 0.774 nan 8.230 nan 0.000 0.481 346 S N 1.662 117.277 115.700 -0.141 0.000 2.399 346 S HA -0.102 4.369 4.470 0.001 0.000 0.231 346 S C 1.945 176.528 174.600 -0.028 0.000 1.022 346 S CA 1.483 59.628 58.200 -0.091 0.000 0.983 346 S CB -0.484 62.626 63.200 -0.150 0.000 0.803 346 S HN 0.618 nan 8.310 nan 0.000 0.480 347 A N 0.918 123.687 122.820 -0.084 0.000 1.902 347 A HA 0.141 4.462 4.320 0.001 0.000 0.217 347 A C 1.904 179.580 177.584 0.154 0.000 1.181 347 A CA 1.297 53.315 52.037 -0.031 0.000 0.623 347 A CB -1.043 17.713 19.000 -0.406 0.000 0.818 347 A HN 0.568 nan 8.150 nan 0.000 0.443 348 F N 0.059 120.147 119.950 0.229 0.000 2.146 348 F HA -0.146 4.381 4.527 0.001 0.000 0.298 348 F C 2.557 178.433 175.800 0.125 0.000 1.096 348 F CA 1.645 59.805 58.000 0.267 0.000 1.275 348 F CB -0.438 38.671 39.000 0.181 0.000 1.008 348 F HN 0.173 nan 8.300 nan 0.000 0.480 349 V N -1.667 118.379 119.914 0.220 0.000 2.343 349 V HA -0.220 3.901 4.120 0.001 0.000 0.247 349 V C 1.781 177.925 176.094 0.082 0.000 1.051 349 V CA 1.925 64.298 62.300 0.121 0.000 1.036 349 V CB -0.909 30.954 31.823 0.067 0.000 0.654 349 V HN 0.366 nan 8.190 nan 0.000 0.451 350 E N 0.535 120.781 120.200 0.076 0.000 2.072 350 E HA -0.195 4.156 4.350 0.001 0.000 0.191 350 E C 2.444 179.061 176.600 0.028 0.000 0.985 350 E CA 1.258 57.688 56.400 0.051 0.000 0.801 350 E CB -0.337 29.398 29.700 0.058 0.000 0.750 350 E HN 0.584 nan 8.360 nan 0.000 0.452 351 R N 0.914 121.425 120.500 0.019 0.000 2.117 351 R HA -0.142 4.198 4.340 0.001 0.000 0.243 351 R C 1.060 177.327 176.300 -0.054 0.000 1.143 351 R CA 1.421 57.459 56.100 -0.104 0.000 0.968 351 R CB -0.534 29.578 30.300 -0.313 0.000 0.863 351 R HN 0.292 nan 8.270 nan 0.000 0.444 352 G N 1.034 109.842 108.800 0.014 0.000 2.323 352 G HA2 -0.290 3.671 3.960 0.001 0.000 0.292 352 G HA3 -0.290 3.671 3.960 0.001 0.000 0.292 352 G C -0.290 174.617 174.900 0.012 0.000 1.040 352 G CA 1.095 46.209 45.100 0.024 0.000 0.942 352 G HN 0.592 nan 8.290 nan 0.000 0.506 353 E N -0.568 119.646 120.200 0.023 0.000 4.442 353 E HA 0.700 5.051 4.350 0.001 0.000 0.185 353 E C 1.040 177.677 176.600 0.062 0.000 1.080 353 E CA -0.531 55.879 56.400 0.016 0.000 0.993 353 E CB 0.132 29.811 29.700 -0.033 0.000 1.905 353 E HN 0.766 nan 8.360 nan 0.000 0.416 354 A N 1.498 124.361 122.820 0.071 0.000 2.511 354 A HA 0.210 4.531 4.320 0.001 0.000 0.242 354 A C -0.219 177.461 177.584 0.160 0.000 1.069 354 A CA 0.555 52.650 52.037 0.097 0.000 0.763 354 A CB -0.029 19.029 19.000 0.097 0.000 1.001 354 A HN 0.294 nan 8.150 nan 0.000 0.498 355 M N 5.086 124.739 119.600 0.088 0.000 2.065 355 M HA 0.212 4.693 4.480 0.001 0.000 0.308 355 M C -1.472 174.795 176.300 -0.056 0.000 0.939 355 M CA -1.819 53.498 55.300 0.028 0.000 0.890 355 M CB 0.875 33.489 32.600 0.024 0.000 1.383 355 M HN 0.623 nan 8.290 nan 0.000 0.381 356 P HA -0.108 nan 4.420 nan 0.000 0.223 356 P C -0.254 176.980 177.300 -0.109 0.000 1.144 356 P CA 0.693 63.732 63.100 -0.102 0.000 0.783 356 P CB 0.376 32.021 31.700 -0.091 0.000 0.771 357 K N -0.252 120.052 120.400 -0.159 0.000 3.933 357 K HA -0.041 4.280 4.320 0.001 0.000 0.967 357 K C -1.051 175.500 176.600 -0.082 0.000 1.441 357 K CA 0.145 56.382 56.287 -0.085 0.000 1.269 357 K CB -1.459 31.024 32.500 -0.028 0.000 3.036 357 K HN -0.036 nan 8.250 nan 0.000 0.179 358 I N 4.862 125.393 120.570 -0.065 0.000 2.359 358 I HA 0.456 4.626 4.170 0.001 0.000 0.294 358 I C 0.002 176.172 176.117 0.087 0.000 0.987 358 I CA -0.852 60.457 61.300 0.016 0.000 1.225 358 I CB 0.941 38.959 38.000 0.030 0.000 1.366 358 I HN 0.376 nan 8.210 nan 0.000 0.466 359 L N 4.868 126.138 121.223 0.078 0.000 2.346 359 L HA 0.713 5.053 4.340 0.001 0.000 0.276 359 L C 0.221 177.011 176.870 -0.134 0.000 1.006 359 L CA -0.616 54.216 54.840 -0.014 0.000 0.817 359 L CB 1.726 43.836 42.059 0.085 0.000 1.272 359 L HN 0.750 nan 8.230 nan 0.000 0.421 360 A N 1.680 124.180 122.820 -0.533 0.000 2.292 360 A HA 0.876 5.196 4.320 0.001 0.000 0.319 360 A C 0.038 177.119 177.584 -0.839 0.000 1.206 360 A CA -0.070 51.514 52.037 -0.755 0.000 0.835 360 A CB 0.892 19.043 19.000 -1.415 0.000 1.164 360 A HN 0.750 nan 8.150 nan 0.000 0.505 361 G N 1.049 109.359 108.800 -0.817 0.000 2.638 361 G HA2 0.576 4.536 3.960 0.001 0.000 0.302 361 G HA3 0.576 4.536 3.960 0.001 0.000 0.302 361 G C -0.804 173.766 174.900 -0.550 0.000 1.365 361 G CA -0.687 43.554 45.100 -1.432 0.000 0.987 361 G HN 0.862 nan 8.290 nan 0.000 0.495 362 R N 0.721 120.985 120.500 -0.394 0.000 2.514 362 R HA 0.712 5.052 4.340 0.001 0.000 0.301 362 R C -1.056 175.295 176.300 0.084 0.000 0.962 362 R CA -0.735 55.306 56.100 -0.098 0.000 0.882 362 R CB 1.249 31.480 30.300 -0.116 0.000 1.143 362 R HN 0.721 nan 8.270 nan 0.000 0.452 363 Y N 0.263 120.481 120.300 -0.138 0.000 2.728 363 Y HA 0.531 5.081 4.550 0.001 0.000 0.330 363 Y C 0.652 176.463 175.900 -0.148 0.000 1.234 363 Y CA -0.968 57.060 58.100 -0.121 0.000 1.070 363 Y CB 0.413 38.687 38.460 -0.309 0.000 1.300 363 Y HN 0.701 nan 8.280 nan 0.000 0.467 364 G N 0.556 109.241 108.800 -0.191 0.000 2.225 364 G HA2 -0.313 3.647 3.960 0.001 0.000 0.272 364 G HA3 -0.313 3.647 3.960 0.001 0.000 0.272 364 G C -0.312 174.448 174.900 -0.234 0.000 0.996 364 G CA 0.491 45.444 45.100 -0.244 0.000 0.710 364 G HN 0.635 nan 8.290 nan 0.000 0.522 365 L N 0.556 121.660 121.223 -0.199 0.000 2.578 365 L HA 0.428 4.768 4.340 0.001 0.000 0.279 365 L C 1.748 178.596 176.870 -0.037 0.000 1.227 365 L CA 1.601 56.371 54.840 -0.116 0.000 0.900 365 L CB -0.024 41.989 42.059 -0.076 0.000 1.144 365 L HN 1.276 nan 8.230 nan 0.000 0.496 366 G N 3.071 111.882 108.800 0.018 0.000 2.366 366 G HA2 -0.298 3.662 3.960 0.001 0.000 0.299 366 G HA3 -0.298 3.662 3.960 0.001 0.000 0.299 366 G C 0.797 175.743 174.900 0.077 0.000 1.020 366 G CA 0.487 45.651 45.100 0.106 0.000 1.026 366 G HN 0.892 nan 8.290 nan 0.000 0.512 367 S N -2.308 113.447 115.700 0.091 0.000 3.445 367 S HA -0.253 4.218 4.470 0.001 0.000 0.319 367 S C 1.141 175.726 174.600 -0.024 0.000 1.209 367 S CA 1.917 60.157 58.200 0.068 0.000 0.934 367 S CB -0.619 62.652 63.200 0.118 0.000 0.999 367 S HN 1.569 nan 8.310 nan 0.000 0.582 368 K N 2.648 123.034 120.400 -0.023 0.000 2.489 368 K HA 0.066 4.387 4.320 0.001 0.000 0.278 368 K C 0.241 176.877 176.600 0.060 0.000 1.000 368 K CA 0.401 56.684 56.287 -0.007 0.000 1.012 368 K CB 0.383 32.891 32.500 0.013 0.000 0.903 368 K HN 0.123 nan 8.250 nan 0.000 0.485 369 E N 2.787 123.014 120.200 0.045 0.000 2.481 369 E HA -0.086 4.264 4.350 0.001 0.000 0.263 369 E C -0.754 175.975 176.600 0.215 0.000 0.992 369 E CA 0.625 57.076 56.400 0.084 0.000 0.938 369 E CB 0.130 29.848 29.700 0.028 0.000 0.933 369 E HN 0.548 nan 8.360 nan 0.000 0.453 370 F N 2.603 122.583 119.950 0.051 0.000 2.809 370 F HA 0.126 4.653 4.527 0.000 0.000 0.369 370 F C 0.064 175.844 175.800 -0.033 0.000 1.225 370 F CA -0.439 57.594 58.000 0.055 0.000 1.201 370 F CB 0.380 39.474 39.000 0.157 0.000 1.527 370 F HN 0.291 nan 8.300 nan 0.000 0.565 371 S N 3.155 118.626 115.700 -0.382 0.000 2.669 371 S HA 0.485 4.955 4.470 0.001 0.000 0.270 371 S C -2.030 172.156 174.600 -0.689 0.000 1.225 371 S CA -1.154 56.699 58.200 -0.578 0.000 0.991 371 S CB 1.476 64.444 63.200 -0.388 0.000 0.987 371 S HN 0.312 nan 8.310 nan 0.000 0.552 372 P HA -0.088 nan 4.420 nan 0.000 0.216 372 P C 1.566 178.638 177.300 -0.379 0.000 1.150 372 P CA 2.046 64.923 63.100 -0.371 0.000 0.843 372 P CB -0.274 31.335 31.700 -0.152 0.000 0.787 373 A N -1.156 121.493 122.820 -0.284 0.000 1.933 373 A HA -0.205 4.115 4.320 0.001 0.000 0.218 373 A C 2.147 179.491 177.584 -0.401 0.000 1.175 373 A CA 1.876 53.705 52.037 -0.346 0.000 0.628 373 A CB -1.371 17.553 19.000 -0.127 0.000 0.814 373 A HN 0.136 nan 8.150 nan 0.000 0.444 374 M N -0.978 118.384 119.600 -0.396 0.000 2.200 374 M HA -0.087 4.393 4.480 0.001 0.000 0.265 374 M C 2.057 178.114 176.300 -0.404 0.000 1.066 374 M CA 1.067 56.156 55.300 -0.352 0.000 1.127 374 M CB -0.347 32.042 32.600 -0.351 0.000 1.379 374 M HN 0.234 nan 8.290 nan 0.000 0.420 375 V N 0.654 120.230 119.914 -0.563 0.000 2.343 375 V HA -0.256 3.864 4.120 0.001 0.000 0.247 375 V C 2.404 178.373 176.094 -0.207 0.000 1.051 375 V CA 1.816 63.895 62.300 -0.367 0.000 1.036 375 V CB -0.684 30.966 31.823 -0.288 0.000 0.654 375 V HN 0.380 nan 8.190 nan 0.000 0.451 376 K N 0.685 120.855 120.400 -0.383 0.000 2.032 376 K HA -0.176 4.144 4.320 0.001 0.000 0.209 376 K C 2.448 178.904 176.600 -0.240 0.000 1.048 376 K CA 2.079 58.120 56.287 -0.411 0.000 0.927 376 K CB -0.938 30.936 32.500 -1.044 0.000 0.712 376 K HN 0.340 nan 8.250 nan 0.000 0.441 377 S N -0.645 114.890 115.700 -0.275 0.000 2.383 377 S HA -0.099 4.372 4.470 0.001 0.000 0.229 377 S C 1.840 176.304 174.600 -0.227 0.000 1.030 377 S CA 1.399 59.466 58.200 -0.221 0.000 1.002 377 S CB -0.329 62.744 63.200 -0.211 0.000 0.829 377 S HN 0.174 nan 8.310 nan 0.000 0.467 378 V N 0.351 120.132 119.914 -0.222 0.000 2.427 378 V HA -0.133 3.988 4.120 0.001 0.000 0.248 378 V C 1.941 177.896 176.094 -0.232 0.000 1.051 378 V CA 1.811 63.963 62.300 -0.248 0.000 1.048 378 V CB -0.843 30.882 31.823 -0.163 0.000 0.666 378 V HN 0.590 nan 8.190 nan 0.000 0.456 379 Y N 0.151 120.395 120.300 -0.093 0.000 2.220 379 Y HA -0.151 4.399 4.550 0.001 0.000 0.291 379 Y C 2.546 178.404 175.900 -0.070 0.000 1.129 379 Y CA 1.331 59.397 58.100 -0.058 0.000 1.161 379 Y CB -0.145 38.283 38.460 -0.054 0.000 0.997 379 Y HN 0.270 nan 8.280 nan 0.000 0.522 380 D N -0.180 120.245 120.400 0.042 0.000 2.178 380 D HA -0.189 4.451 4.640 0.001 0.000 0.201 380 D C 1.707 177.984 176.300 -0.038 0.000 0.980 380 D CA 1.190 55.185 54.000 -0.008 0.000 0.842 380 D CB -0.495 40.272 40.800 -0.054 0.000 0.948 380 D HN 0.303 nan 8.370 nan 0.000 0.472 381 N N 0.068 118.710 118.700 -0.097 0.000 2.223 381 N HA -0.094 4.646 4.740 0.001 0.000 0.185 381 N C 1.710 177.185 175.510 -0.058 0.000 1.016 381 N CA 0.807 53.779 53.050 -0.130 0.000 0.863 381 N CB -0.089 38.226 38.487 -0.286 0.000 0.983 381 N HN 0.100 nan 8.380 nan 0.000 0.429 382 M N -0.751 118.840 119.600 -0.015 0.000 2.319 382 M HA -0.035 4.446 4.480 0.001 0.000 0.265 382 M C 1.169 177.492 176.300 0.038 0.000 1.068 382 M CA 1.102 56.421 55.300 0.031 0.000 1.118 382 M CB -0.010 32.637 32.600 0.078 0.000 1.395 382 M HN 0.292 nan 8.290 nan 0.000 0.435 383 S N -1.523 114.197 115.700 0.034 0.000 2.554 383 S HA 0.341 4.811 4.470 0.001 0.000 0.226 383 S C 0.804 175.411 174.600 0.011 0.000 0.980 383 S CA -0.197 58.021 58.200 0.029 0.000 0.939 383 S CB 0.344 63.567 63.200 0.037 0.000 0.832 383 S HN 0.378 nan 8.310 nan 0.000 0.486 384 G N 1.419 110.217 108.800 -0.003 0.000 3.306 384 G HA2 0.589 4.549 3.960 0.001 0.000 0.202 384 G HA3 0.589 4.549 3.960 0.001 0.000 0.202 384 G C 1.186 176.077 174.900 -0.014 0.000 1.673 384 G CA 0.006 45.098 45.100 -0.013 0.000 0.776 384 G HN 0.424 nan 8.290 nan 0.000 0.740 385 A N -0.482 122.322 122.820 -0.027 0.000 2.067 385 A HA 0.171 4.491 4.320 0.001 0.000 0.219 385 A C 1.272 178.849 177.584 -0.012 0.000 1.158 385 A CA 1.761 53.785 52.037 -0.020 0.000 0.661 385 A CB -0.627 18.355 19.000 -0.030 0.000 0.801 385 A HN 0.627 nan 8.150 nan 0.000 0.452 386 K N -0.952 119.436 120.400 -0.020 0.000 3.150 386 K HA -0.177 4.143 4.320 0.001 0.000 0.267 386 K C -0.091 176.520 176.600 0.018 0.000 1.028 386 K CA 0.924 57.211 56.287 0.001 0.000 0.753 386 K CB -1.457 31.052 32.500 0.014 0.000 1.288 386 K HN 0.678 nan 8.250 nan 0.000 0.473 387 K N 1.365 121.767 120.400 0.002 0.000 2.382 387 K HA 0.065 4.386 4.320 0.001 0.000 0.275 387 K C 0.075 176.769 176.600 0.158 0.000 1.009 387 K CA -0.072 56.247 56.287 0.053 0.000 0.970 387 K CB 0.482 32.991 32.500 0.014 0.000 0.934 387 K HN 0.148 nan 8.250 nan 0.000 0.479 388 N N 1.279 120.057 118.700 0.131 0.000 2.404 388 N HA 0.198 4.938 4.740 0.001 0.000 0.297 388 N C -1.383 174.154 175.510 0.045 0.000 1.163 388 N CA -0.217 52.856 53.050 0.038 0.000 0.864 388 N CB 0.603 39.048 38.487 -0.071 0.000 1.247 388 N HN 0.698 nan 8.380 nan 0.000 0.510 389 H N -0.448 118.542 119.070 -0.134 0.000 2.677 389 H HA -0.201 4.355 4.556 0.001 0.000 0.321 389 H C -0.678 174.574 175.328 -0.127 0.000 1.171 389 H CA 1.166 57.075 56.048 -0.232 0.000 1.139 389 H CB -1.779 27.884 29.762 -0.164 0.000 1.515 389 H HN 0.381 nan 8.280 nan 0.000 0.423 390 F N -1.191 118.752 119.950 -0.011 0.000 2.403 390 F HA 0.765 5.292 4.527 0.000 0.000 0.326 390 F C 0.467 176.274 175.800 0.012 0.000 1.099 390 F CA -0.509 57.493 58.000 0.003 0.000 1.036 390 F CB 1.043 40.037 39.000 -0.009 0.000 1.336 390 F HN 0.036 nan 8.300 nan 0.000 0.497 391 T N -0.775 113.999 114.554 0.365 0.000 2.893 391 T HA 0.778 5.128 4.350 0.001 0.000 0.291 391 T C -1.231 173.705 174.700 0.394 0.000 1.028 391 T CA -0.777 61.478 62.100 0.258 0.000 0.995 391 T CB 1.434 70.377 68.868 0.125 0.000 1.051 391 T HN 0.717 nan 8.240 nan 0.000 0.470 392 V N 0.955 121.076 119.914 0.345 0.000 2.760 392 V HA 0.808 4.928 4.120 0.001 0.000 0.309 392 V C 1.023 177.254 176.094 0.228 0.000 1.077 392 V CA -0.072 62.390 62.300 0.270 0.000 0.910 392 V CB 1.046 33.069 31.823 0.334 0.000 1.008 392 V HN 1.517 nan 8.190 nan 0.000 0.424 393 G N 3.429 112.315 108.800 0.144 0.000 2.231 393 G HA2 -0.106 3.854 3.960 0.001 0.000 0.206 393 G HA3 -0.106 3.854 3.960 0.001 0.000 0.206 393 G C -0.168 174.780 174.900 0.081 0.000 0.996 393 G CA 0.179 45.352 45.100 0.122 0.000 0.645 393 G HN 1.117 nan 8.290 nan 0.000 0.498 394 I N -1.958 118.659 120.570 0.079 0.000 3.174 394 I HA 0.819 4.989 4.170 0.001 0.000 0.313 394 I C -0.970 175.184 176.117 0.060 0.000 1.155 394 I CA -1.992 59.347 61.300 0.066 0.000 0.977 394 I CB 1.688 39.725 38.000 0.061 0.000 1.248 394 I HN 0.073 nan 8.210 nan 0.000 0.453 395 E N 2.184 122.419 120.200 0.059 0.000 2.028 395 E HA 0.162 4.512 4.350 0.001 0.000 0.266 395 E C -1.176 175.456 176.600 0.053 0.000 0.962 395 E CA -0.367 56.061 56.400 0.047 0.000 0.784 395 E CB 0.588 30.310 29.700 0.037 0.000 1.114 395 E HN 0.556 nan 8.360 nan 0.000 0.414 396 D N 4.305 124.735 120.400 0.050 0.000 2.483 396 D HA -0.024 4.616 4.640 0.001 0.000 0.220 396 D C 0.112 176.434 176.300 0.036 0.000 1.173 396 D CA -0.300 53.728 54.000 0.047 0.000 0.964 396 D CB 0.497 41.327 40.800 0.049 0.000 1.046 396 D HN 0.436 nan 8.370 nan 0.000 0.517 397 D N 1.848 122.267 120.400 0.032 0.000 2.328 397 D HA -0.088 4.552 4.640 0.001 0.000 0.221 397 D C 1.508 177.818 176.300 0.017 0.000 1.072 397 D CA 0.040 54.052 54.000 0.020 0.000 0.850 397 D CB -0.055 40.752 40.800 0.011 0.000 0.922 397 D HN 0.297 nan 8.370 nan 0.000 0.516 398 V N -1.792 118.136 119.914 0.023 0.000 2.788 398 V HA 0.168 4.288 4.120 0.001 0.000 0.241 398 V C 1.663 177.767 176.094 0.016 0.000 1.083 398 V CA 1.261 63.572 62.300 0.018 0.000 1.103 398 V CB -0.313 31.523 31.823 0.023 0.000 0.800 398 V HN 0.239 nan 8.190 nan 0.000 0.476 399 T N -2.706 111.859 114.554 0.019 0.000 3.145 399 T HA 0.437 4.787 4.350 0.001 0.000 0.281 399 T C 1.446 176.160 174.700 0.023 0.000 1.003 399 T CA 0.429 62.539 62.100 0.017 0.000 0.901 399 T CB 0.012 68.887 68.868 0.012 0.000 1.112 399 T HN 1.511 nan 8.240 nan 0.000 0.535 400 G N 2.557 111.373 108.800 0.026 0.000 2.422 400 G HA2 -0.324 3.637 3.960 0.001 0.000 0.301 400 G HA3 -0.324 3.637 3.960 0.001 0.000 0.301 400 G C 0.836 175.762 174.900 0.044 0.000 0.981 400 G CA 0.953 46.071 45.100 0.030 0.000 0.994 400 G HN 0.933 nan 8.290 nan 0.000 0.514 401 T N -2.750 111.838 114.554 0.057 0.000 3.081 401 T HA 0.420 4.771 4.350 0.001 0.000 0.250 401 T C 1.462 176.239 174.700 0.129 0.000 1.100 401 T CA 0.871 63.025 62.100 0.090 0.000 1.038 401 T CB 0.168 69.084 68.868 0.080 0.000 0.962 401 T HN 1.265 nan 8.240 nan 0.000 0.516 402 S N 1.438 117.194 115.700 0.093 0.000 2.610 402 S HA 0.634 5.104 4.470 0.001 0.000 0.273 402 S C -0.326 174.296 174.600 0.037 0.000 1.274 402 S CA -0.992 57.267 58.200 0.098 0.000 1.023 402 S CB 0.688 63.933 63.200 0.076 0.000 0.962 402 S HN 0.121 nan 8.310 nan 0.000 0.523 403 L N 3.006 124.227 121.223 -0.004 0.000 2.326 403 L HA 0.505 4.846 4.340 0.001 0.000 0.278 403 L C -1.819 175.007 176.870 -0.074 0.000 1.092 403 L CA -1.943 52.828 54.840 -0.114 0.000 0.810 403 L CB 0.272 42.171 42.059 -0.267 0.000 1.153 403 L HN 0.622 nan 8.230 nan 0.000 0.439 404 P HA 0.177 nan 4.420 nan 0.000 0.275 404 P C -1.157 176.098 177.300 -0.075 0.000 1.228 404 P CA -0.226 62.839 63.100 -0.058 0.000 0.786 404 P CB 1.370 33.038 31.700 -0.053 0.000 0.927 405 V N 2.891 122.770 119.914 -0.059 0.000 2.483 405 V HA 0.163 4.284 4.120 0.001 0.000 0.297 405 V C -0.201 175.861 176.094 -0.054 0.000 1.027 405 V CA -0.395 61.860 62.300 -0.075 0.000 0.855 405 V CB 1.625 33.407 31.823 -0.068 0.000 0.995 405 V HN 0.561 nan 8.190 nan 0.000 0.424 406 D N 3.952 124.317 120.400 -0.059 0.000 2.441 406 D HA 0.168 4.808 4.640 0.001 0.000 0.221 406 D C 0.844 177.149 176.300 0.009 0.000 1.156 406 D CA -0.167 53.822 54.000 -0.020 0.000 0.896 406 D CB 0.621 41.416 40.800 -0.009 0.000 1.028 406 D HN 0.404 nan 8.370 nan 0.000 0.509 407 N N 2.528 121.235 118.700 0.011 0.000 2.575 407 N HA -0.053 4.687 4.740 0.001 0.000 0.192 407 N C 0.993 176.534 175.510 0.052 0.000 1.200 407 N CA 0.205 53.271 53.050 0.027 0.000 0.897 407 N CB 0.392 38.886 38.487 0.012 0.000 0.990 407 N HN 0.485 nan 8.380 nan 0.000 0.449 408 A N 0.016 122.874 122.820 0.063 0.000 2.218 408 A HA 0.070 4.390 4.320 0.001 0.000 0.209 408 A C 0.654 178.290 177.584 0.087 0.000 1.168 408 A CA -0.534 51.536 52.037 0.056 0.000 0.804 408 A CB -0.414 18.611 19.000 0.042 0.000 0.834 408 A HN 0.294 nan 8.150 nan 0.000 0.482 409 F N 1.444 121.364 119.950 -0.050 0.000 2.623 409 F HA 0.271 4.799 4.527 0.000 0.000 0.383 409 F C 0.966 176.721 175.800 -0.077 0.000 1.077 409 F CA -0.324 57.638 58.000 -0.063 0.000 1.268 409 F CB 0.442 39.386 39.000 -0.094 0.000 1.053 409 F HN 0.320 nan 8.300 nan 0.000 0.571 410 A N 5.592 128.000 122.820 -0.686 0.000 2.448 410 A HA 0.010 4.330 4.320 0.001 0.000 0.239 410 A C 0.098 177.258 177.584 -0.708 0.000 1.080 410 A CA -0.252 51.434 52.037 -0.585 0.000 0.779 410 A CB 0.025 18.761 19.000 -0.441 0.000 1.026 410 A HN 0.852 nan 8.150 nan 0.000 0.499 411 D N 0.203 120.386 120.400 -0.360 0.000 2.424 411 D HA 0.098 4.739 4.640 0.001 0.000 0.244 411 D C 0.929 177.026 176.300 -0.339 0.000 1.134 411 D CA 1.042 54.898 54.000 -0.240 0.000 0.881 411 D CB 0.726 41.475 40.800 -0.086 0.000 1.191 411 D HN 0.551 nan 8.370 nan 0.000 0.445 412 T N -0.822 113.582 114.554 -0.251 0.000 3.132 412 T HA 0.093 4.443 4.350 0.001 0.000 0.274 412 T C 0.861 175.558 174.700 -0.006 0.000 1.011 412 T CA -0.397 61.562 62.100 -0.235 0.000 0.899 412 T CB -0.127 68.594 68.868 -0.244 0.000 1.089 412 T HN 0.423 nan 8.240 nan 0.000 0.543 413 T N 1.441 116.018 114.554 0.037 0.000 2.900 413 T HA 0.401 4.751 4.350 0.001 0.000 0.307 413 T C -2.600 172.128 174.700 0.047 0.000 1.065 413 T CA -1.186 60.949 62.100 0.058 0.000 1.105 413 T CB -0.002 68.898 68.868 0.054 0.000 0.979 413 T HN 0.010 nan 8.240 nan 0.000 0.544 414 P HA 0.134 nan 4.420 nan 0.000 0.268 414 P C 0.019 177.348 177.300 0.048 0.000 1.208 414 P CA -0.431 62.693 63.100 0.040 0.000 0.777 414 P CB 0.373 32.083 31.700 0.017 0.000 0.875 415 K N 1.594 122.023 120.400 0.048 0.000 2.489 415 K HA 0.150 4.470 4.320 0.001 0.000 0.278 415 K C 1.503 178.138 176.600 0.058 0.000 1.000 415 K CA 1.352 57.668 56.287 0.050 0.000 1.012 415 K CB -0.582 31.944 32.500 0.043 0.000 0.903 415 K HN 0.881 nan 8.250 nan 0.000 0.485 416 G N 2.175 111.012 108.800 0.062 0.000 2.176 416 G HA2 -0.255 3.705 3.960 0.001 0.000 0.253 416 G HA3 -0.255 3.705 3.960 0.001 0.000 0.253 416 G C 0.200 175.155 174.900 0.091 0.000 0.979 416 G CA 0.399 45.543 45.100 0.073 0.000 0.641 416 G HN 0.542 nan 8.290 nan 0.000 0.530 417 T N 1.431 116.038 114.554 0.088 0.000 2.814 417 T HA 0.549 4.900 4.350 0.001 0.000 0.297 417 T C 0.640 175.409 174.700 0.116 0.000 0.956 417 T CA 0.195 62.357 62.100 0.104 0.000 1.123 417 T CB 1.261 70.174 68.868 0.075 0.000 0.902 417 T HN 0.308 nan 8.240 nan 0.000 0.528 418 I N 3.792 124.458 120.570 0.160 0.000 2.336 418 I HA 0.264 4.434 4.170 0.001 0.000 0.292 418 I C 0.345 176.586 176.117 0.207 0.000 0.991 418 I CA -0.613 60.795 61.300 0.181 0.000 1.227 418 I CB 1.178 39.294 38.000 0.194 0.000 1.366 418 I HN 0.458 nan 8.210 nan 0.000 0.466 419 Q N 5.747 125.654 119.800 0.179 0.000 2.316 419 Q HA 0.583 4.923 4.340 0.001 0.000 0.264 419 Q C -1.395 174.737 176.000 0.219 0.000 0.987 419 Q CA -0.720 55.184 55.803 0.168 0.000 0.852 419 Q CB 2.648 31.458 28.738 0.120 0.000 1.287 419 Q HN 0.618 nan 8.270 nan 0.000 0.448 420 C N 1.728 121.172 119.300 0.241 0.000 2.626 420 C HA 0.537 4.998 4.460 0.001 0.000 0.310 420 C C -0.464 174.620 174.990 0.156 0.000 1.191 420 C CA -0.818 58.360 59.018 0.266 0.000 1.517 420 C CB 1.637 29.634 27.740 0.429 0.000 2.102 420 C HN 0.802 nan 8.230 nan 0.000 0.479 421 Q N 0.763 120.559 119.800 -0.006 0.000 2.356 421 Q HA 0.713 5.054 4.340 0.001 0.000 0.270 421 Q C -1.759 174.132 176.000 -0.183 0.000 1.058 421 Q CA -0.316 55.430 55.803 -0.094 0.000 0.802 421 Q CB 2.377 31.068 28.738 -0.077 0.000 1.303 421 Q HN 0.642 nan 8.270 nan 0.000 0.444 422 F N 0.710 120.581 119.950 -0.131 0.000 2.539 422 F HA 0.412 4.940 4.527 0.001 0.000 0.318 422 F C -1.143 174.535 175.800 -0.204 0.000 1.135 422 F CA -0.737 57.197 58.000 -0.110 0.000 0.915 422 F CB 1.115 40.017 39.000 -0.164 0.000 1.176 422 F HN 0.438 nan 8.300 nan 0.000 0.440 423 W N 2.580 123.886 121.300 0.010 0.000 2.291 423 W HA 0.658 5.318 4.660 0.000 0.000 0.312 423 W C 0.364 177.002 176.519 0.199 0.000 1.061 423 W CA -0.785 56.627 57.345 0.110 0.000 1.296 423 W CB 1.549 31.141 29.460 0.221 0.000 1.223 423 W HN 0.644 nan 8.180 nan 0.000 0.421 424 G N 2.294 111.302 108.800 0.347 0.000 2.600 424 G HA2 0.677 4.637 3.960 0.001 0.000 0.303 424 G HA3 0.677 4.637 3.960 0.001 0.000 0.303 424 G C -2.014 173.134 174.900 0.413 0.000 1.253 424 G CA -0.991 44.322 45.100 0.354 0.000 0.974 424 G HN 0.335 nan 8.290 nan 0.000 0.483 425 L N 0.642 122.037 121.223 0.287 0.000 2.325 425 L HA 0.744 5.084 4.340 0.001 0.000 0.278 425 L C 0.873 177.853 176.870 0.183 0.000 1.023 425 L CA -0.482 54.510 54.840 0.253 0.000 0.811 425 L CB 1.308 43.446 42.059 0.132 0.000 1.249 425 L HN 0.722 nan 8.230 nan 0.000 0.431 426 G N 4.026 112.933 108.800 0.178 0.000 2.150 426 G HA2 0.395 4.355 3.960 0.001 0.000 0.250 426 G HA3 0.395 4.355 3.960 0.001 0.000 0.250 426 G C 0.759 175.721 174.900 0.103 0.000 1.179 426 G CA 0.365 45.548 45.100 0.139 0.000 0.934 426 G HN 1.940 nan 8.290 nan 0.000 0.453 427 A N 2.108 124.979 122.820 0.086 0.000 2.945 427 A HA -0.181 4.139 4.320 0.001 0.000 0.251 427 A C 1.407 179.024 177.584 0.056 0.000 1.355 427 A CA 1.598 53.671 52.037 0.059 0.000 0.905 427 A CB -1.822 17.207 19.000 0.049 0.000 1.104 427 A HN 1.199 nan 8.150 nan 0.000 0.733 428 D N -1.387 119.057 120.400 0.073 0.000 2.339 428 D HA 0.391 5.031 4.640 0.001 0.000 0.217 428 D C 1.430 177.768 176.300 0.064 0.000 1.050 428 D CA 0.923 54.963 54.000 0.067 0.000 0.856 428 D CB -0.550 40.303 40.800 0.089 0.000 0.922 428 D HN 1.841 nan 8.370 nan 0.000 0.518 429 G N -0.457 108.377 108.800 0.056 0.000 2.143 429 G HA2 -0.360 3.600 3.960 0.001 0.000 0.249 429 G HA3 -0.360 3.600 3.960 0.001 0.000 0.249 429 G C 1.112 176.039 174.900 0.045 0.000 0.981 429 G CA 0.710 45.833 45.100 0.038 0.000 0.665 429 G HN 0.353 nan 8.290 nan 0.000 0.528 430 T N 0.354 114.963 114.554 0.091 0.000 2.674 430 T HA -0.107 4.243 4.350 0.001 0.000 0.265 430 T C 2.602 177.278 174.700 -0.040 0.000 1.039 430 T CA 1.936 64.106 62.100 0.118 0.000 1.150 430 T CB -0.264 68.740 68.868 0.226 0.000 0.864 430 T HN 0.354 nan 8.240 nan 0.000 0.427 431 V N 1.530 121.380 119.914 -0.107 0.000 2.332 431 V HA -0.149 3.972 4.120 0.001 0.000 0.248 431 V C 2.862 178.787 176.094 -0.281 0.000 1.055 431 V CA 1.987 64.094 62.300 -0.321 0.000 1.038 431 V CB -1.488 30.039 31.823 -0.493 0.000 0.651 431 V HN 0.618 nan 8.190 nan 0.000 0.450 432 G N -0.322 108.383 108.800 -0.159 0.000 2.446 432 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 432 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 432 G C 1.759 176.619 174.900 -0.067 0.000 1.168 432 G CA 1.116 46.151 45.100 -0.109 0.000 0.771 432 G HN 0.631 nan 8.290 nan 0.000 0.551 433 A N 1.088 123.883 122.820 -0.041 0.000 1.930 433 A HA -0.066 4.254 4.320 0.001 0.000 0.217 433 A C 2.290 179.840 177.584 -0.056 0.000 1.175 433 A CA 1.828 53.862 52.037 -0.004 0.000 0.627 433 A CB -0.394 18.628 19.000 0.036 0.000 0.815 433 A HN 0.347 nan 8.150 nan 0.000 0.443 434 N N 0.232 118.839 118.700 -0.155 0.000 2.120 434 N HA -0.124 4.617 4.740 0.001 0.000 0.188 434 N C 1.575 177.083 175.510 -0.003 0.000 1.024 434 N CA 1.511 54.432 53.050 -0.214 0.000 0.852 434 N CB -0.338 38.057 38.487 -0.155 0.000 1.003 434 N HN 0.563 nan 8.380 nan 0.000 0.424 435 K N 0.507 120.931 120.400 0.039 0.000 2.148 435 K HA -0.034 4.286 4.320 0.001 0.000 0.204 435 K C 1.899 178.541 176.600 0.071 0.000 1.050 435 K CA 0.723 57.059 56.287 0.082 0.000 0.942 435 K CB 0.069 32.567 32.500 -0.004 0.000 0.724 435 K HN 0.133 nan 8.250 nan 0.000 0.446 436 Q N 0.152 119.984 119.800 0.053 0.000 2.123 436 Q HA -0.019 4.321 4.340 0.001 0.000 0.199 436 Q C 2.119 178.220 176.000 0.169 0.000 0.966 436 Q CA 1.313 57.168 55.803 0.086 0.000 0.845 436 Q CB -0.100 28.680 28.738 0.070 0.000 0.907 436 Q HN 0.305 nan 8.270 nan 0.000 0.439 437 A N 0.862 123.792 122.820 0.183 0.000 1.933 437 A HA -0.135 4.186 4.320 0.001 0.000 0.218 437 A C 2.007 179.747 177.584 0.259 0.000 1.175 437 A CA 0.906 53.100 52.037 0.261 0.000 0.628 437 A CB -0.416 18.570 19.000 -0.023 0.000 0.814 437 A HN 0.258 nan 8.150 nan 0.000 0.444 438 I N -0.178 120.534 120.570 0.236 0.000 2.226 438 I HA -0.219 3.951 4.170 0.001 0.000 0.245 438 I C 2.288 178.541 176.117 0.227 0.000 1.100 438 I CA 1.698 63.169 61.300 0.285 0.000 1.374 438 I CB -1.118 36.974 38.000 0.153 0.000 1.057 438 I HN 0.362 nan 8.210 nan 0.000 0.413 439 K N 0.435 120.930 120.400 0.159 0.000 2.001 439 K HA -0.120 4.201 4.320 0.001 0.000 0.208 439 K C 2.060 178.735 176.600 0.125 0.000 1.048 439 K CA 1.108 57.464 56.287 0.115 0.000 0.932 439 K CB -0.069 32.479 32.500 0.079 0.000 0.715 439 K HN 0.085 nan 8.250 nan 0.000 0.437 440 I N 1.678 122.347 120.570 0.165 0.000 2.118 440 I HA -0.305 3.865 4.170 0.001 0.000 0.241 440 I C 2.270 178.479 176.117 0.154 0.000 1.070 440 I CA 1.570 62.978 61.300 0.180 0.000 1.327 440 I CB -1.094 37.102 38.000 0.326 0.000 1.034 440 I HN 0.164 nan 8.210 nan 0.000 0.405 441 I N 0.818 121.481 120.570 0.155 0.000 2.226 441 I HA -0.167 4.004 4.170 0.001 0.000 0.245 441 I C 2.696 178.865 176.117 0.087 0.000 1.100 441 I CA 1.696 63.031 61.300 0.058 0.000 1.374 441 I CB -1.976 35.962 38.000 -0.102 0.000 1.057 441 I HN 0.221 nan 8.210 nan 0.000 0.413 442 G N 0.583 109.466 108.800 0.138 0.000 2.421 442 G HA2 -0.190 3.770 3.960 0.001 0.000 0.217 442 G HA3 -0.190 3.770 3.960 0.001 0.000 0.217 442 G C 1.170 176.085 174.900 0.025 0.000 1.143 442 G CA 0.479 45.629 45.100 0.083 0.000 0.784 442 G HN 0.311 nan 8.290 nan 0.000 0.541 443 D N 0.241 120.662 120.400 0.035 0.000 2.347 443 D HA 0.015 4.655 4.640 0.001 0.000 0.215 443 D C 1.442 177.744 176.300 0.003 0.000 0.976 443 D CA 0.429 54.436 54.000 0.011 0.000 0.884 443 D CB 0.114 40.925 40.800 0.018 0.000 0.915 443 D HN 0.262 nan 8.370 nan 0.000 0.526 444 N N -0.252 118.454 118.700 0.011 0.000 2.170 444 N HA 0.028 4.768 4.740 0.001 0.000 0.222 444 N C 0.215 175.719 175.510 -0.010 0.000 1.218 444 N CA 0.200 53.251 53.050 0.002 0.000 0.889 444 N CB 1.759 40.255 38.487 0.016 0.000 1.083 444 N HN 0.197 nan 8.380 nan 0.000 0.520 445 T N -2.968 111.575 114.554 -0.019 0.000 2.778 445 T HA 0.360 4.711 4.350 0.001 0.000 0.293 445 T C -0.612 174.052 174.700 -0.060 0.000 1.144 445 T CA -0.495 61.586 62.100 -0.032 0.000 1.010 445 T CB 2.073 70.923 68.868 -0.029 0.000 1.325 445 T HN -0.340 nan 8.240 nan 0.000 0.515 446 D N 0.385 120.741 120.400 -0.074 0.000 2.388 446 D HA 0.355 4.995 4.640 0.001 0.000 0.221 446 D C 0.244 176.415 176.300 -0.215 0.000 1.133 446 D CA -0.090 53.827 54.000 -0.139 0.000 0.831 446 D CB -0.129 40.613 40.800 -0.097 0.000 0.962 446 D HN 0.422 nan 8.370 nan 0.000 0.502 447 L N 0.184 121.334 121.223 -0.121 0.000 2.436 447 L HA 0.275 4.615 4.340 0.001 0.000 0.265 447 L C 0.345 177.136 176.870 -0.132 0.000 1.168 447 L CA -0.511 54.301 54.840 -0.046 0.000 0.815 447 L CB 0.494 42.616 42.059 0.105 0.000 1.109 447 L HN -0.166 nan 8.230 nan 0.000 0.462 448 F N 0.891 120.906 119.950 0.109 0.000 2.375 448 F HA 0.568 5.095 4.527 0.001 0.000 0.333 448 F C 0.519 176.372 175.800 0.087 0.000 1.104 448 F CA -0.256 57.789 58.000 0.075 0.000 1.149 448 F CB 1.341 40.366 39.000 0.041 0.000 1.190 448 F HN 0.424 nan 8.300 nan 0.000 0.533 449 A N 2.816 125.744 122.820 0.180 0.000 2.422 449 A HA 0.642 4.962 4.320 0.001 0.000 0.302 449 A C -1.320 176.190 177.584 -0.123 0.000 1.041 449 A CA -0.612 51.394 52.037 -0.053 0.000 0.708 449 A CB 1.835 20.883 19.000 0.080 0.000 1.257 449 A HN 0.709 nan 8.150 nan 0.000 0.414 450 Q N 1.356 120.971 119.800 -0.307 0.000 2.359 450 Q HA 0.643 4.983 4.340 0.001 0.000 0.274 450 Q C -0.799 175.052 176.000 -0.249 0.000 1.074 450 Q CA -0.639 55.049 55.803 -0.193 0.000 0.810 450 Q CB 2.348 31.001 28.738 -0.143 0.000 1.342 450 Q HN 1.173 nan 8.270 nan 0.000 0.427 451 G N 2.047 110.752 108.800 -0.159 0.000 2.662 451 G HA2 0.545 4.505 3.960 0.001 0.000 0.302 451 G HA3 0.545 4.505 3.960 0.001 0.000 0.302 451 G C -2.442 172.306 174.900 -0.253 0.000 1.389 451 G CA -0.274 44.656 45.100 -0.284 0.000 0.998 451 G HN 0.498 nan 8.290 nan 0.000 0.502 452 Y N 1.568 121.494 120.300 -0.624 0.000 2.441 452 Y HA 0.699 5.249 4.550 0.001 0.000 0.334 452 Y C -1.735 173.800 175.900 -0.609 0.000 1.061 452 Y CA -1.455 56.415 58.100 -0.383 0.000 1.032 452 Y CB 1.739 40.094 38.460 -0.175 0.000 1.266 452 Y HN 0.473 nan 8.280 nan 0.000 0.441 453 F N 3.253 122.922 119.950 -0.469 0.000 2.507 453 F HA 0.563 5.090 4.527 0.001 0.000 0.325 453 F C 0.062 175.539 175.800 -0.537 0.000 1.116 453 F CA -0.879 56.873 58.000 -0.414 0.000 0.930 453 F CB 2.245 40.987 39.000 -0.431 0.000 1.146 453 F HN 0.362 nan 8.300 nan 0.000 0.447 454 S N 2.731 118.280 115.700 -0.252 0.000 2.454 454 S HA 0.654 5.124 4.470 0.001 0.000 0.306 454 S C -0.855 173.543 174.600 -0.337 0.000 1.100 454 S CA -0.305 57.800 58.200 -0.159 0.000 1.087 454 S CB 0.384 63.569 63.200 -0.026 0.000 1.019 454 S HN 0.479 nan 8.310 nan 0.000 0.480 455 Y N 2.036 122.339 120.300 0.005 0.000 3.135 455 Y HA 0.658 5.208 4.550 0.000 0.000 0.343 455 Y C 0.491 176.393 175.900 0.003 0.000 1.322 455 Y CA -0.773 57.333 58.100 0.010 0.000 0.993 455 Y CB 0.387 38.864 38.460 0.028 0.000 1.306 455 Y HN 0.522 nan 8.280 nan 0.000 0.798 456 D N -1.949 118.596 120.400 0.241 0.000 2.552 456 D HA 0.336 4.976 4.640 0.001 0.000 0.239 456 D C -0.089 176.294 176.300 0.139 0.000 1.139 456 D CA -0.332 53.755 54.000 0.145 0.000 0.914 456 D CB 2.379 43.257 40.800 0.129 0.000 1.461 456 D HN 0.326 nan 8.370 nan 0.000 0.462 457 S N -0.143 115.629 115.700 0.120 0.000 2.470 457 S HA 0.046 4.517 4.470 0.001 0.000 0.225 457 S C 0.480 175.155 174.600 0.125 0.000 1.006 457 S CA 0.230 58.496 58.200 0.111 0.000 0.934 457 S CB 0.139 63.399 63.200 0.099 0.000 0.778 457 S HN 0.217 nan 8.310 nan 0.000 0.517 458 K N 2.344 122.825 120.400 0.135 0.000 2.379 458 K HA 0.156 4.476 4.320 0.001 0.000 0.284 458 K C 0.514 177.197 176.600 0.138 0.000 1.044 458 K CA 0.162 56.537 56.287 0.147 0.000 0.974 458 K CB 0.648 33.239 32.500 0.150 0.000 0.962 458 K HN 0.201 nan 8.250 nan 0.000 0.474 459 K N 0.398 120.883 120.400 0.141 0.000 2.305 459 K HA -0.001 4.319 4.320 0.001 0.000 0.199 459 K C 0.746 177.412 176.600 0.109 0.000 1.047 459 K CA 0.411 56.771 56.287 0.122 0.000 0.976 459 K CB 0.382 32.962 32.500 0.133 0.000 0.765 459 K HN 0.323 nan 8.250 nan 0.000 0.474 460 S N -0.992 114.775 115.700 0.111 0.000 2.521 460 S HA 0.470 4.941 4.470 0.001 0.000 0.295 460 S C 0.119 174.778 174.600 0.097 0.000 1.098 460 S CA -0.102 58.151 58.200 0.088 0.000 0.999 460 S CB 1.562 64.799 63.200 0.062 0.000 1.034 460 S HN 0.463 nan 8.310 nan 0.000 0.483 461 G N 2.888 111.749 108.800 0.101 0.000 2.225 461 G HA2 -0.177 3.784 3.960 0.001 0.000 0.267 461 G HA3 -0.177 3.784 3.960 0.001 0.000 0.267 461 G C 0.534 175.539 174.900 0.174 0.000 1.024 461 G CA 0.139 45.315 45.100 0.127 0.000 0.784 461 G HN 1.165 nan 8.290 nan 0.000 0.507 462 G N -0.932 107.967 108.800 0.165 0.000 2.569 462 G HA2 0.543 4.503 3.960 0.001 0.000 0.249 462 G HA3 0.543 4.503 3.960 0.001 0.000 0.249 462 G C 0.229 175.248 174.900 0.200 0.000 1.216 462 G CA 0.000 45.205 45.100 0.175 0.000 0.845 462 G HN 0.942 nan 8.290 nan 0.000 0.568 463 I N -0.291 120.368 120.570 0.147 0.000 2.532 463 I HA 0.571 4.741 4.170 0.001 0.000 0.292 463 I C 0.266 176.393 176.117 0.017 0.000 1.014 463 I CA -0.113 61.232 61.300 0.075 0.000 1.340 463 I CB 1.873 39.768 38.000 -0.175 0.000 1.422 463 I HN 0.344 nan 8.210 nan 0.000 0.528 464 T N 7.793 122.345 114.554 -0.003 0.000 2.921 464 T HA 0.605 4.956 4.350 0.001 0.000 0.297 464 T C -1.305 173.261 174.700 -0.223 0.000 1.013 464 T CA -0.335 61.700 62.100 -0.108 0.000 0.990 464 T CB 0.647 69.499 68.868 -0.026 0.000 1.023 464 T HN 0.537 nan 8.240 nan 0.000 0.447 465 I N 3.543 123.901 120.570 -0.353 0.000 2.468 465 I HA 0.637 4.807 4.170 0.001 0.000 0.285 465 I C -0.697 175.232 176.117 -0.314 0.000 1.039 465 I CA 0.058 61.047 61.300 -0.520 0.000 1.074 465 I CB 1.789 39.251 38.000 -0.896 0.000 1.228 465 I HN 0.465 nan 8.210 nan 0.000 0.436 466 S N 5.634 121.195 115.700 -0.232 0.000 2.525 466 S HA 0.576 5.046 4.470 0.001 0.000 0.290 466 S C -1.004 173.432 174.600 -0.273 0.000 1.152 466 S CA -0.338 57.786 58.200 -0.127 0.000 1.072 466 S CB 0.703 63.926 63.200 0.037 0.000 1.027 466 S HN 0.643 nan 8.310 nan 0.000 0.500 467 H N 1.443 120.409 119.070 -0.173 0.000 2.708 467 H HA 0.516 5.072 4.556 0.001 0.000 0.320 467 H C -0.749 174.488 175.328 -0.153 0.000 0.991 467 H CA -0.414 55.586 56.048 -0.080 0.000 1.243 467 H CB 0.563 30.283 29.762 -0.071 0.000 1.446 467 H HN 0.293 nan 8.280 nan 0.000 0.502 468 L N 3.126 124.376 121.223 0.045 0.000 2.354 468 L HA 0.665 5.005 4.340 0.001 0.000 0.269 468 L C -0.046 176.759 176.870 -0.108 0.000 1.005 468 L CA -0.856 53.923 54.840 -0.102 0.000 0.819 468 L CB 2.310 44.345 42.059 -0.041 0.000 1.311 468 L HN 0.499 nan 8.230 nan 0.000 0.423 469 R N 1.883 122.170 120.500 -0.354 0.000 2.725 469 R HA 0.724 5.064 4.340 0.001 0.000 0.277 469 R C -1.771 174.214 176.300 -0.526 0.000 0.987 469 R CA -0.665 55.291 56.100 -0.239 0.000 0.901 469 R CB 2.686 32.905 30.300 -0.136 0.000 1.207 469 R HN 0.331 nan 8.270 nan 0.000 0.463 470 F N -0.192 119.816 119.950 0.097 0.000 2.569 470 F HA 0.703 5.231 4.527 0.000 0.000 0.312 470 F C 0.466 176.330 175.800 0.107 0.000 1.109 470 F CA -0.571 57.491 58.000 0.104 0.000 0.919 470 F CB 2.870 41.925 39.000 0.091 0.000 1.211 470 F HN 0.660 nan 8.300 nan 0.000 0.446 471 G N 1.502 110.495 108.800 0.321 0.000 2.623 471 G HA2 0.382 4.342 3.960 0.001 0.000 0.290 471 G HA3 0.382 4.342 3.960 0.001 0.000 0.290 471 G C -0.504 174.592 174.900 0.327 0.000 1.437 471 G CA -0.667 44.587 45.100 0.256 0.000 0.798 471 G HN 0.579 nan 8.290 nan 0.000 0.488 472 E N -0.606 119.749 120.200 0.258 0.000 2.230 472 E HA 0.051 4.402 4.350 0.001 0.000 0.192 472 E C 0.487 177.344 176.600 0.428 0.000 0.987 472 E CA 0.537 57.108 56.400 0.286 0.000 0.841 472 E CB 0.215 30.013 29.700 0.163 0.000 0.783 472 E HN 0.072 nan 8.360 nan 0.000 0.481 473 K N 1.071 121.604 120.400 0.221 0.000 2.123 473 K HA 0.361 4.681 4.320 0.001 0.000 0.248 473 K C -2.586 173.682 176.600 -0.553 0.000 0.969 473 K CA -2.605 53.645 56.287 -0.061 0.000 0.882 473 K CB 0.678 33.151 32.500 -0.046 0.000 1.080 473 K HN -0.218 nan 8.250 nan 0.000 0.441 474 P HA 0.094 nan 4.420 nan 0.000 0.265 474 P C -0.406 176.637 177.300 -0.428 0.000 1.193 474 P CA 0.292 62.739 63.100 -1.088 0.000 0.765 474 P CB 0.272 31.564 31.700 -0.680 0.000 0.823 475 I N 3.647 124.056 120.570 -0.269 0.000 2.312 475 I HA 0.134 4.304 4.170 0.001 0.000 0.291 475 I C 1.174 177.240 176.117 -0.085 0.000 1.031 475 I CA 0.260 61.489 61.300 -0.119 0.000 1.293 475 I CB 0.532 38.493 38.000 -0.066 0.000 1.403 475 I HN 0.298 nan 8.210 nan 0.000 0.484 476 Q N 3.477 123.243 119.800 -0.056 0.000 2.172 476 Q HA 0.183 4.523 4.340 0.001 0.000 0.217 476 Q C -0.006 176.004 176.000 0.017 0.000 0.832 476 Q CA -0.129 55.671 55.803 -0.005 0.000 1.010 476 Q CB 0.635 29.385 28.738 0.020 0.000 1.133 476 Q HN 0.605 nan 8.270 nan 0.000 0.489 477 S N 2.103 117.754 115.700 -0.082 0.000 3.919 477 S HA 0.024 4.494 4.470 0.001 0.000 0.245 477 S C 0.641 175.010 174.600 -0.385 0.000 1.344 477 S CA -0.194 57.836 58.200 -0.285 0.000 0.896 477 S CB -0.302 62.566 63.200 -0.555 0.000 1.557 477 S HN 0.270 nan 8.310 nan 0.000 0.468 478 T N 1.190 115.712 114.554 -0.053 0.000 4.309 478 T HA 0.401 4.751 4.350 0.001 0.000 0.242 478 T C -0.274 174.448 174.700 0.038 0.000 1.142 478 T CA -0.569 61.519 62.100 -0.019 0.000 1.042 478 T CB -1.227 67.708 68.868 0.111 0.000 1.366 478 T HN 0.590 nan 8.240 nan 0.000 0.942 479 Y N -1.428 118.788 120.300 -0.141 0.000 2.677 479 Y HA 0.615 5.166 4.550 0.001 0.000 0.334 479 Y C -1.069 174.667 175.900 -0.275 0.000 1.196 479 Y CA -2.175 55.812 58.100 -0.189 0.000 1.059 479 Y CB 0.625 39.022 38.460 -0.104 0.000 1.315 479 Y HN 0.075 nan 8.280 nan 0.000 0.455 480 L N 2.070 123.158 121.223 -0.225 0.000 2.473 480 L HA 0.318 4.658 4.340 0.001 0.000 0.268 480 L C 0.027 176.821 176.870 -0.127 0.000 1.215 480 L CA -1.041 53.526 54.840 -0.454 0.000 0.823 480 L CB 0.389 42.133 42.059 -0.525 0.000 1.099 480 L HN 0.537 nan 8.230 nan 0.000 0.483 481 V N 1.896 121.828 119.914 0.030 0.000 2.572 481 V HA -0.031 4.090 4.120 0.001 0.000 0.291 481 V C 0.604 176.831 176.094 0.221 0.000 1.039 481 V CA 0.218 62.633 62.300 0.192 0.000 1.055 481 V CB 0.870 32.866 31.823 0.289 0.000 0.969 481 V HN 0.996 nan 8.190 nan 0.000 0.482 482 N N 3.093 121.906 118.700 0.189 0.000 2.166 482 N HA 0.143 4.883 4.740 0.001 0.000 0.213 482 N C 0.290 175.866 175.510 0.110 0.000 1.222 482 N CA -0.278 52.861 53.050 0.148 0.000 0.900 482 N CB 0.561 39.122 38.487 0.123 0.000 1.055 482 N HN 0.569 nan 8.380 nan 0.000 0.515 483 R N 0.604 121.169 120.500 0.109 0.000 2.721 483 R HA 0.556 4.896 4.340 0.001 0.000 0.272 483 R C -1.230 175.125 176.300 0.092 0.000 1.721 483 R CA -0.418 55.729 56.100 0.079 0.000 1.325 483 R CB 1.504 31.837 30.300 0.054 0.000 1.271 483 R HN 0.197 nan 8.270 nan 0.000 0.556 484 A N 0.957 123.836 122.820 0.099 0.000 2.302 484 A HA 0.236 4.557 4.320 0.001 0.000 0.285 484 A C 0.384 178.043 177.584 0.124 0.000 1.105 484 A CA -0.473 51.635 52.037 0.118 0.000 0.816 484 A CB 0.493 19.566 19.000 0.121 0.000 1.067 484 A HN 0.594 nan 8.150 nan 0.000 0.489 485 D N -0.941 119.555 120.400 0.160 0.000 2.327 485 D HA 0.056 4.697 4.640 0.001 0.000 0.205 485 D C -0.762 175.684 176.300 0.244 0.000 0.989 485 D CA 1.439 55.543 54.000 0.174 0.000 0.873 485 D CB 0.328 41.229 40.800 0.168 0.000 0.955 485 D HN 0.554 nan 8.370 nan 0.000 0.515 486 Y N 1.055 121.410 120.300 0.091 0.000 2.361 486 Y HA 0.358 4.908 4.550 0.000 0.000 0.328 486 Y C -1.578 174.337 175.900 0.025 0.000 1.044 486 Y CA -0.712 57.435 58.100 0.078 0.000 1.085 486 Y CB 1.481 39.982 38.460 0.068 0.000 1.194 486 Y HN -0.396 nan 8.280 nan 0.000 0.438 487 V N 5.394 125.143 119.914 -0.275 0.000 2.540 487 V HA 0.903 5.024 4.120 0.001 0.000 0.302 487 V C -0.648 175.296 176.094 -0.250 0.000 1.035 487 V CA -0.478 61.732 62.300 -0.151 0.000 0.873 487 V CB 1.510 33.351 31.823 0.029 0.000 0.992 487 V HN 0.901 nan 8.190 nan 0.000 0.428 488 A N 3.149 125.856 122.820 -0.188 0.000 2.356 488 A HA 0.682 5.002 4.320 0.001 0.000 0.310 488 A C -0.731 176.991 177.584 0.230 0.000 1.075 488 A CA -0.438 51.585 52.037 -0.022 0.000 0.746 488 A CB 1.524 20.540 19.000 0.027 0.000 1.221 488 A HN 0.964 nan 8.150 nan 0.000 0.443 489 C N 3.111 122.612 119.300 0.335 0.000 2.264 489 C HA 0.529 4.990 4.460 0.001 0.000 0.322 489 C C 0.885 176.101 174.990 0.376 0.000 1.210 489 C CA -0.348 58.898 59.018 0.379 0.000 1.539 489 C CB -1.463 26.504 27.740 0.378 0.000 2.167 489 C HN 1.011 nan 8.230 nan 0.000 0.463 490 H N 2.839 122.055 119.070 0.242 0.000 2.548 490 H HA 0.085 4.641 4.556 0.001 0.000 0.265 490 H C 0.602 175.914 175.328 -0.026 0.000 0.969 490 H CA 0.245 56.366 56.048 0.122 0.000 1.155 490 H CB 0.324 30.198 29.762 0.188 0.000 1.394 490 H HN 0.693 nan 8.280 nan 0.000 0.570 491 N N 1.049 119.733 118.700 -0.027 0.000 2.491 491 N HA 0.066 4.807 4.740 0.001 0.000 0.274 491 N C -1.966 173.381 175.510 -0.272 0.000 1.023 491 N CA -2.131 50.722 53.050 -0.327 0.000 0.902 491 N CB 1.726 39.665 38.487 -0.913 0.000 1.267 491 N HN -0.135 nan 8.380 nan 0.000 0.503 492 P HA -0.164 nan 4.420 nan 0.000 0.219 492 P C 0.927 178.263 177.300 0.060 0.000 1.146 492 P CA 0.928 63.924 63.100 -0.173 0.000 0.808 492 P CB 0.228 31.628 31.700 -0.500 0.000 0.779 493 A N -0.824 121.996 122.820 0.001 0.000 2.070 493 A HA -0.156 4.164 4.320 0.001 0.000 0.220 493 A C 2.163 179.924 177.584 0.295 0.000 1.159 493 A CA 0.826 52.948 52.037 0.142 0.000 0.656 493 A CB -1.745 17.320 19.000 0.110 0.000 0.800 493 A HN 0.248 nan 8.150 nan 0.000 0.453 494 Y N -1.257 119.162 120.300 0.199 0.000 2.439 494 Y HA -0.121 4.429 4.550 0.001 0.000 0.292 494 Y C 2.401 178.354 175.900 0.088 0.000 1.130 494 Y CA 0.191 58.430 58.100 0.232 0.000 1.254 494 Y CB -0.104 38.538 38.460 0.303 0.000 1.000 494 Y HN 0.150 nan 8.280 nan 0.000 0.554 495 V N -0.108 119.966 119.914 0.267 0.000 2.392 495 V HA -0.294 3.827 4.120 0.001 0.000 0.249 495 V C 2.301 178.431 176.094 0.060 0.000 1.059 495 V CA 2.214 64.615 62.300 0.169 0.000 1.051 495 V CB -0.932 31.068 31.823 0.296 0.000 0.658 495 V HN 0.572 nan 8.190 nan 0.000 0.455 496 G N -0.915 107.924 108.800 0.066 0.000 2.985 496 G HA2 0.075 4.036 3.960 0.001 0.000 0.209 496 G HA3 0.075 4.036 3.960 0.001 0.000 0.209 496 G C 1.224 176.072 174.900 -0.087 0.000 1.165 496 G CA 0.683 45.773 45.100 -0.016 0.000 0.776 496 G HN 0.652 nan 8.290 nan 0.000 0.541 497 I N -4.716 115.759 120.570 -0.158 0.000 4.433 497 I HA 0.445 4.616 4.170 0.001 0.000 0.322 497 I C -0.057 175.784 176.117 -0.461 0.000 1.284 497 I CA -0.552 60.534 61.300 -0.358 0.000 1.269 497 I CB 0.455 38.130 38.000 -0.543 0.000 1.219 497 I HN -0.119 nan 8.210 nan 0.000 0.436 498 Y N 1.758 121.997 120.300 -0.102 0.000 2.446 498 Y HA 0.430 4.980 4.550 0.000 0.000 0.338 498 Y C -0.170 175.563 175.900 -0.279 0.000 1.055 498 Y CA -0.996 56.994 58.100 -0.183 0.000 1.101 498 Y CB 1.101 39.378 38.460 -0.305 0.000 1.221 498 Y HN -0.130 nan 8.280 nan 0.000 0.460 499 D N 2.540 122.924 120.400 -0.025 0.000 2.600 499 D HA 0.089 4.729 4.640 0.001 0.000 0.226 499 D C 0.813 176.987 176.300 -0.209 0.000 1.119 499 D CA 0.509 54.450 54.000 -0.098 0.000 1.051 499 D CB -0.296 40.498 40.800 -0.011 0.000 1.106 499 D HN 0.586 nan 8.370 nan 0.000 0.491 500 I N 0.955 121.245 120.570 -0.466 0.000 2.567 500 I HA -0.235 3.936 4.170 0.001 0.000 0.257 500 I C 1.282 177.154 176.117 -0.409 0.000 1.184 500 I CA 0.505 61.360 61.300 -0.741 0.000 1.451 500 I CB 0.190 37.687 38.000 -0.838 0.000 1.089 500 I HN 0.312 nan 8.210 nan 0.000 0.441 501 L N 0.050 121.065 121.223 -0.348 0.000 2.728 501 L HA 0.172 4.512 4.340 0.001 0.000 0.238 501 L C 0.992 177.779 176.870 -0.139 0.000 1.143 501 L CA 0.223 54.876 54.840 -0.311 0.000 0.937 501 L CB -0.612 41.184 42.059 -0.438 0.000 1.225 501 L HN 0.128 nan 8.230 nan 0.000 0.507 502 E N 0.341 120.503 120.200 -0.063 0.000 2.652 502 E HA 0.140 4.490 4.350 0.001 0.000 0.255 502 E C 1.361 177.973 176.600 0.021 0.000 0.952 502 E CA 0.894 57.290 56.400 -0.006 0.000 0.947 502 E CB 0.179 29.906 29.700 0.045 0.000 0.912 502 E HN 0.420 nan 8.360 nan 0.000 0.489 503 G N 4.231 113.036 108.800 0.009 0.000 2.189 503 G HA2 -0.348 3.612 3.960 0.001 0.000 0.267 503 G HA3 -0.348 3.612 3.960 0.001 0.000 0.267 503 G C 0.452 175.366 174.900 0.024 0.000 0.975 503 G CA 0.267 45.382 45.100 0.024 0.000 0.644 503 G HN 0.706 nan 8.290 nan 0.000 0.537 504 I N 1.359 121.932 120.570 0.004 0.000 2.845 504 I HA 0.165 4.335 4.170 0.001 0.000 0.296 504 I C 1.023 177.154 176.117 0.024 0.000 1.216 504 I CA 0.052 61.360 61.300 0.012 0.000 1.438 504 I CB 0.275 38.257 38.000 -0.031 0.000 1.342 504 I HN 0.152 nan 8.210 nan 0.000 0.577 505 K N 5.652 126.081 120.400 0.048 0.000 2.319 505 K HA 0.084 4.404 4.320 0.001 0.000 0.265 505 K C -0.519 176.113 176.600 0.054 0.000 1.000 505 K CA -0.607 55.710 56.287 0.050 0.000 0.943 505 K CB 0.228 32.767 32.500 0.064 0.000 0.950 505 K HN 0.505 nan 8.250 nan 0.000 0.485 506 D N 0.464 120.893 120.400 0.048 0.000 2.455 506 D HA 0.070 4.710 4.640 0.001 0.000 0.241 506 D C 1.212 177.559 176.300 0.079 0.000 1.138 506 D CA 1.280 55.313 54.000 0.056 0.000 0.877 506 D CB 0.731 41.559 40.800 0.047 0.000 1.187 506 D HN 0.757 nan 8.370 nan 0.000 0.451 507 G N 1.652 110.512 108.800 0.101 0.000 2.184 507 G HA2 -0.204 3.757 3.960 0.001 0.000 0.264 507 G HA3 -0.204 3.757 3.960 0.001 0.000 0.264 507 G C 0.809 175.797 174.900 0.147 0.000 0.975 507 G CA 0.263 45.438 45.100 0.125 0.000 0.642 507 G HN 0.816 nan 8.290 nan 0.000 0.536 508 G N -0.677 108.207 108.800 0.140 0.000 2.684 508 G HA2 0.586 4.547 3.960 0.001 0.000 0.255 508 G HA3 0.586 4.547 3.960 0.001 0.000 0.255 508 G C 0.400 175.431 174.900 0.218 0.000 1.219 508 G CA 0.987 46.184 45.100 0.162 0.000 0.901 508 G HN 1.414 nan 8.290 nan 0.000 0.548 509 T N -2.090 112.609 114.554 0.243 0.000 2.855 509 T HA 0.601 4.951 4.350 0.001 0.000 0.281 509 T C -1.250 173.597 174.700 0.245 0.000 1.007 509 T CA -0.758 61.526 62.100 0.307 0.000 1.009 509 T CB 1.351 70.425 68.868 0.343 0.000 0.983 509 T HN 0.503 nan 8.240 nan 0.000 0.455 510 F N 5.020 125.073 119.950 0.170 0.000 2.507 510 F HA 0.662 5.189 4.527 0.001 0.000 0.328 510 F C -1.166 174.766 175.800 0.219 0.000 1.136 510 F CA -1.580 56.484 58.000 0.107 0.000 0.930 510 F CB 1.494 40.611 39.000 0.194 0.000 1.166 510 F HN 0.615 nan 8.300 nan 0.000 0.436 511 V N 8.393 128.148 119.914 -0.265 0.000 2.555 511 V HA 0.798 4.919 4.120 0.001 0.000 0.302 511 V C -2.066 173.740 176.094 -0.481 0.000 1.038 511 V CA -0.619 61.484 62.300 -0.329 0.000 0.887 511 V CB 1.587 33.327 31.823 -0.138 0.000 0.991 511 V HN 0.837 nan 8.190 nan 0.000 0.434 512 L N 5.762 126.701 121.223 -0.474 0.000 2.365 512 L HA 0.580 4.920 4.340 0.001 0.000 0.273 512 L C -0.444 176.321 176.870 -0.176 0.000 1.000 512 L CA -0.210 54.446 54.840 -0.307 0.000 0.819 512 L CB 1.971 43.856 42.059 -0.291 0.000 1.284 512 L HN 0.854 nan 8.230 nan 0.000 0.418 513 N N 3.237 121.873 118.700 -0.108 0.000 2.439 513 N HA 0.577 5.318 4.740 0.001 0.000 0.249 513 N C -1.212 174.131 175.510 -0.278 0.000 1.003 513 N CA 0.151 53.114 53.050 -0.146 0.000 0.942 513 N CB 0.714 39.145 38.487 -0.094 0.000 1.115 513 N HN 0.829 nan 8.380 nan 0.000 0.505 514 S N 3.018 118.500 115.700 -0.363 0.000 2.611 514 S HA 0.434 4.904 4.470 0.001 0.000 0.268 514 S C -2.800 171.476 174.600 -0.540 0.000 1.156 514 S CA -0.799 56.993 58.200 -0.680 0.000 0.817 514 S CB 2.147 64.652 63.200 -1.157 0.000 1.122 514 S HN 0.417 nan 8.310 nan 0.000 0.466 515 P HA 0.267 nan 4.420 nan 0.000 0.261 515 P C -0.371 176.874 177.300 -0.092 0.000 1.268 515 P CA 0.070 62.981 63.100 -0.314 0.000 0.833 515 P CB -0.079 31.476 31.700 -0.242 0.000 1.231 516 W N 1.598 122.895 121.300 -0.005 0.000 1.564 516 W HA 0.234 4.895 4.660 0.001 0.000 0.480 516 W C 0.890 177.505 176.519 0.160 0.000 0.699 516 W CA -0.520 56.867 57.345 0.071 0.000 1.985 516 W CB -1.298 28.206 29.460 0.074 0.000 1.738 516 W HN 0.011 nan 8.180 nan 0.000 0.218 517 S N 0.984 116.866 115.700 0.303 0.000 2.371 517 S HA -0.110 4.360 4.470 0.001 0.000 0.224 517 S C 1.293 176.089 174.600 0.326 0.000 1.029 517 S CA 0.889 59.253 58.200 0.272 0.000 0.978 517 S CB -0.100 63.187 63.200 0.144 0.000 0.833 517 S HN 0.411 nan 8.310 nan 0.000 0.466 518 S N 1.887 117.755 115.700 0.281 0.000 2.584 518 S HA 0.328 4.798 4.470 0.001 0.000 0.273 518 S C 0.868 175.676 174.600 0.348 0.000 1.311 518 S CA -0.738 57.594 58.200 0.220 0.000 1.034 518 S CB 0.966 64.259 63.200 0.156 0.000 0.939 518 S HN 0.154 nan 8.310 nan 0.000 0.513 519 L N 1.421 122.791 121.223 0.245 0.000 2.187 519 L HA -0.064 4.277 4.340 0.001 0.000 0.213 519 L C 2.292 179.384 176.870 0.369 0.000 1.100 519 L CA 2.126 57.207 54.840 0.401 0.000 0.765 519 L CB -1.060 41.086 42.059 0.146 0.000 0.904 519 L HN 1.025 nan 8.230 nan 0.000 0.437 520 E N -0.628 119.715 120.200 0.238 0.000 2.017 520 E HA -0.249 4.101 4.350 0.001 0.000 0.193 520 E C 1.697 178.409 176.600 0.187 0.000 0.997 520 E CA 1.639 58.147 56.400 0.180 0.000 0.804 520 E CB -0.053 29.723 29.700 0.126 0.000 0.757 520 E HN 0.545 nan 8.360 nan 0.000 0.448 521 D N 0.080 120.618 120.400 0.231 0.000 2.117 521 D HA -0.168 4.473 4.640 0.001 0.000 0.197 521 D C 1.872 178.312 176.300 0.232 0.000 0.987 521 D CA 0.990 55.139 54.000 0.248 0.000 0.829 521 D CB -0.258 40.749 40.800 0.345 0.000 0.961 521 D HN 0.187 nan 8.370 nan 0.000 0.460 522 M N 0.874 120.694 119.600 0.366 0.000 2.149 522 M HA -0.138 4.343 4.480 0.001 0.000 0.261 522 M C 1.147 177.559 176.300 0.187 0.000 1.064 522 M CA 1.453 56.965 55.300 0.353 0.000 1.102 522 M CB -0.231 32.701 32.600 0.554 0.000 1.369 522 M HN -0.205 nan 8.290 nan 0.000 0.408 523 D N -0.211 120.339 120.400 0.250 0.000 2.178 523 D HA -0.175 4.465 4.640 0.001 0.000 0.201 523 D C 1.906 178.160 176.300 -0.077 0.000 0.980 523 D CA 1.160 55.240 54.000 0.132 0.000 0.842 523 D CB -0.217 40.711 40.800 0.212 0.000 0.948 523 D HN 0.509 nan 8.370 nan 0.000 0.472 524 K N -0.268 120.052 120.400 -0.133 0.000 2.167 524 K HA -0.105 4.216 4.320 0.001 0.000 0.203 524 K C 1.166 177.419 176.600 -0.579 0.000 1.052 524 K CA 1.005 57.090 56.287 -0.336 0.000 0.956 524 K CB 0.087 32.354 32.500 -0.387 0.000 0.735 524 K HN 0.190 nan 8.250 nan 0.000 0.451 525 H N -0.986 117.756 119.070 -0.548 0.000 2.740 525 H HA 0.201 4.757 4.556 0.001 0.000 0.265 525 H C -0.741 174.212 175.328 -0.625 0.000 0.978 525 H CA -0.397 55.160 56.048 -0.818 0.000 1.198 525 H CB 0.626 29.227 29.762 -1.934 0.000 1.467 525 H HN -0.019 nan 8.280 nan 0.000 0.511 526 L N 2.654 123.670 121.223 -0.345 0.000 2.276 526 L HA 0.322 4.663 4.340 0.001 0.000 0.286 526 L C -2.238 174.447 176.870 -0.307 0.000 1.061 526 L CA -2.302 52.375 54.840 -0.272 0.000 0.807 526 L CB 0.941 42.812 42.059 -0.315 0.000 1.177 526 L HN -0.076 nan 8.230 nan 0.000 0.429 527 P HA 0.109 nan 4.420 nan 0.000 0.269 527 P C 0.527 177.650 177.300 -0.295 0.000 1.209 527 P CA -0.142 62.820 63.100 -0.231 0.000 0.776 527 P CB 0.670 32.266 31.700 -0.173 0.000 0.876 528 S N 1.575 117.123 115.700 -0.253 0.000 2.387 528 S HA -0.189 4.281 4.470 0.001 0.000 0.230 528 S C 2.147 176.598 174.600 -0.248 0.000 1.035 528 S CA 1.567 59.612 58.200 -0.258 0.000 1.014 528 S CB -1.776 61.318 63.200 -0.176 0.000 0.836 528 S HN 0.562 nan 8.310 nan 0.000 0.466 529 G N 1.841 110.518 108.800 -0.206 0.000 2.459 529 G HA2 -0.108 3.853 3.960 0.001 0.000 0.217 529 G HA3 -0.108 3.853 3.960 0.001 0.000 0.217 529 G C 1.318 176.079 174.900 -0.230 0.000 1.183 529 G CA 1.115 46.103 45.100 -0.186 0.000 0.776 529 G HN 0.528 nan 8.290 nan 0.000 0.552 530 I N 1.005 121.412 120.570 -0.272 0.000 2.179 530 I HA -0.095 4.076 4.170 0.001 0.000 0.242 530 I C 2.687 178.566 176.117 -0.396 0.000 1.088 530 I CA 1.318 62.423 61.300 -0.324 0.000 1.357 530 I CB -0.335 37.485 38.000 -0.300 0.000 1.051 530 I HN 0.094 nan 8.210 nan 0.000 0.409 531 K N 0.170 120.253 120.400 -0.529 0.000 2.020 531 K HA -0.227 4.093 4.320 0.001 0.000 0.212 531 K C 2.285 178.715 176.600 -0.284 0.000 1.050 531 K CA 1.831 57.703 56.287 -0.692 0.000 0.929 531 K CB -0.300 31.571 32.500 -1.049 0.000 0.714 531 K HN 0.236 nan 8.250 nan 0.000 0.443 532 R N 0.045 120.411 120.500 -0.224 0.000 2.105 532 R HA -0.094 4.247 4.340 0.001 0.000 0.239 532 R C 2.411 178.644 176.300 -0.111 0.000 1.135 532 R CA 1.738 57.771 56.100 -0.111 0.000 0.967 532 R CB -0.431 29.808 30.300 -0.102 0.000 0.861 532 R HN 0.213 nan 8.270 nan 0.000 0.442 533 T N 1.023 115.479 114.554 -0.163 0.000 2.737 533 T HA -0.046 4.304 4.350 0.001 0.000 0.265 533 T C 1.869 176.472 174.700 -0.162 0.000 1.038 533 T CA 1.094 63.101 62.100 -0.155 0.000 1.144 533 T CB -0.115 68.634 68.868 -0.198 0.000 0.866 533 T HN 0.119 nan 8.240 nan 0.000 0.434 534 I N 1.292 121.721 120.570 -0.235 0.000 2.163 534 I HA -0.218 3.952 4.170 0.001 0.000 0.243 534 I C 2.868 178.774 176.117 -0.352 0.000 1.085 534 I CA 1.301 62.425 61.300 -0.293 0.000 1.347 534 I CB -0.429 37.313 38.000 -0.429 0.000 1.044 534 I HN 0.206 nan 8.210 nan 0.000 0.408 535 A N 0.708 123.354 122.820 -0.290 0.000 1.854 535 A HA -0.204 4.117 4.320 0.001 0.000 0.214 535 A C 2.031 179.636 177.584 0.036 0.000 1.192 535 A CA 1.987 53.959 52.037 -0.109 0.000 0.611 535 A CB -1.048 18.005 19.000 0.089 0.000 0.832 535 A HN 0.460 nan 8.150 nan 0.000 0.442 536 N N -0.631 118.073 118.700 0.006 0.000 2.289 536 N HA -0.106 4.634 4.740 0.001 0.000 0.184 536 N C 1.152 176.678 175.510 0.027 0.000 1.016 536 N CA 1.067 54.129 53.050 0.021 0.000 0.872 536 N CB -0.061 38.424 38.487 -0.003 0.000 0.973 536 N HN 0.426 nan 8.380 nan 0.000 0.433 537 K N 0.644 121.054 120.400 0.016 0.000 2.372 537 K HA 0.154 4.474 4.320 0.001 0.000 0.200 537 K C -0.414 176.236 176.600 0.083 0.000 1.022 537 K CA 0.033 56.341 56.287 0.035 0.000 1.125 537 K CB 0.582 33.088 32.500 0.010 0.000 0.855 537 K HN 0.015 nan 8.250 nan 0.000 0.524 538 K N 1.421 121.896 120.400 0.126 0.000 3.077 538 K HA -0.186 4.134 4.320 0.001 0.000 0.264 538 K C -0.422 176.321 176.600 0.239 0.000 1.008 538 K CA 0.356 56.771 56.287 0.213 0.000 0.740 538 K CB -1.880 30.710 32.500 0.149 0.000 1.273 538 K HN 0.237 nan 8.250 nan 0.000 0.477 539 L N 0.678 122.040 121.223 0.233 0.000 2.452 539 L HA 0.155 4.495 4.340 0.001 0.000 0.267 539 L C 0.832 177.942 176.870 0.401 0.000 1.188 539 L CA -0.204 54.794 54.840 0.264 0.000 0.821 539 L CB 0.344 42.529 42.059 0.210 0.000 1.102 539 L HN 0.050 nan 8.230 nan 0.000 0.470 540 K N 2.341 122.967 120.400 0.377 0.000 2.250 540 K HA 0.265 4.585 4.320 0.001 0.000 0.280 540 K C -0.893 176.012 176.600 0.508 0.000 1.098 540 K CA -0.275 56.239 56.287 0.379 0.000 0.916 540 K CB 0.542 33.277 32.500 0.393 0.000 1.209 540 K HN 0.222 nan 8.250 nan 0.000 0.461 541 F N 3.798 123.908 119.950 0.266 0.000 2.408 541 F HA 0.343 4.870 4.527 0.001 0.000 0.344 541 F C -1.095 174.732 175.800 0.045 0.000 1.112 541 F CA -1.032 57.129 58.000 0.267 0.000 1.096 541 F CB 0.546 39.774 39.000 0.380 0.000 1.129 541 F HN 0.334 nan 8.300 nan 0.000 0.486 542 Y N 3.852 123.882 120.300 -0.450 0.000 2.406 542 Y HA 0.319 4.869 4.550 0.000 0.000 0.340 542 Y C -0.461 175.016 175.900 -0.705 0.000 0.975 542 Y CA -1.201 56.636 58.100 -0.439 0.000 1.056 542 Y CB 1.721 40.087 38.460 -0.155 0.000 1.210 542 Y HN 0.611 nan 8.280 nan 0.000 0.448 543 N N 2.244 120.725 118.700 -0.364 0.000 2.362 543 N HA 0.673 5.413 4.740 0.001 0.000 0.298 543 N C -2.002 173.458 175.510 -0.084 0.000 1.048 543 N CA -0.455 52.424 53.050 -0.284 0.000 0.858 543 N CB 1.147 39.521 38.487 -0.189 0.000 1.218 543 N HN 0.597 nan 8.380 nan 0.000 0.488 544 I N 2.016 122.529 120.570 -0.095 0.000 2.534 544 I HA 0.269 4.440 4.170 0.001 0.000 0.288 544 I C -1.276 174.787 176.117 -0.089 0.000 1.077 544 I CA -0.648 60.620 61.300 -0.053 0.000 1.051 544 I CB 1.766 39.750 38.000 -0.027 0.000 1.234 544 I HN 0.535 nan 8.210 nan 0.000 0.425 545 D N 6.680 127.036 120.400 -0.073 0.000 2.558 545 D HA 0.328 4.968 4.640 0.001 0.000 0.221 545 D C 1.055 177.306 176.300 -0.082 0.000 1.143 545 D CA 0.364 54.304 54.000 -0.099 0.000 1.010 545 D CB 1.007 41.764 40.800 -0.071 0.000 1.068 545 D HN 0.674 nan 8.370 nan 0.000 0.511 546 A N 2.516 125.280 122.820 -0.094 0.000 1.908 546 A HA -0.163 4.157 4.320 0.001 0.000 0.218 546 A C 2.274 179.815 177.584 -0.072 0.000 1.181 546 A CA 1.295 53.285 52.037 -0.078 0.000 0.627 546 A CB -0.375 18.568 19.000 -0.094 0.000 0.818 546 A HN 0.434 nan 8.150 nan 0.000 0.445 547 V N 0.441 120.305 119.914 -0.083 0.000 2.295 547 V HA -0.304 3.816 4.120 0.001 0.000 0.246 547 V C 2.545 178.607 176.094 -0.054 0.000 1.049 547 V CA 2.480 64.739 62.300 -0.068 0.000 1.024 547 V CB -0.770 31.007 31.823 -0.075 0.000 0.648 547 V HN 0.757 nan 8.190 nan 0.000 0.447 548 K N 0.320 120.687 120.400 -0.055 0.000 2.026 548 K HA -0.166 4.154 4.320 0.001 0.000 0.208 548 K C 2.136 178.715 176.600 -0.034 0.000 1.048 548 K CA 1.932 58.196 56.287 -0.039 0.000 0.929 548 K CB -0.316 32.163 32.500 -0.035 0.000 0.713 548 K HN 0.418 nan 8.250 nan 0.000 0.439 549 I N 1.282 121.831 120.570 -0.036 0.000 2.208 549 I HA -0.278 3.893 4.170 0.001 0.000 0.245 549 I C 2.579 178.674 176.117 -0.036 0.000 1.097 549 I CA 1.273 62.554 61.300 -0.032 0.000 1.363 549 I CB -0.430 37.553 38.000 -0.029 0.000 1.051 549 I HN 0.331 nan 8.210 nan 0.000 0.413 550 A N 0.329 123.124 122.820 -0.042 0.000 1.902 550 A HA -0.202 4.118 4.320 0.001 0.000 0.217 550 A C 2.391 179.951 177.584 -0.041 0.000 1.181 550 A CA 2.446 54.456 52.037 -0.045 0.000 0.623 550 A CB -1.094 17.879 19.000 -0.045 0.000 0.818 550 A HN 0.380 nan 8.150 nan 0.000 0.443 551 T N 0.352 114.885 114.554 -0.035 0.000 2.708 551 T HA -0.136 4.214 4.350 0.001 0.000 0.266 551 T C 1.513 176.196 174.700 -0.028 0.000 1.037 551 T CA 1.610 63.692 62.100 -0.030 0.000 1.146 551 T CB -0.459 68.393 68.868 -0.026 0.000 0.865 551 T HN 0.470 nan 8.240 nan 0.000 0.435 552 D N 1.044 121.428 120.400 -0.027 0.000 2.144 552 D HA -0.081 4.559 4.640 0.001 0.000 0.199 552 D C 2.160 178.443 176.300 -0.029 0.000 0.984 552 D CA 1.070 55.056 54.000 -0.025 0.000 0.834 552 D CB -0.427 40.360 40.800 -0.021 0.000 0.955 552 D HN 0.462 nan 8.370 nan 0.000 0.465 553 V N -3.242 116.651 119.914 -0.036 0.000 3.623 553 V HA 0.444 4.564 4.120 0.001 0.000 0.271 553 V C 1.421 177.485 176.094 -0.050 0.000 1.248 553 V CA 0.773 63.047 62.300 -0.044 0.000 1.156 553 V CB -0.057 31.734 31.823 -0.053 0.000 0.870 553 V HN 0.240 nan 8.190 nan 0.000 0.453 554 G N 0.631 109.405 108.800 -0.044 0.000 2.159 554 G HA2 -0.225 3.736 3.960 0.001 0.000 0.227 554 G HA3 -0.225 3.736 3.960 0.001 0.000 0.227 554 G C 0.361 175.232 174.900 -0.048 0.000 0.986 554 G CA 0.277 45.351 45.100 -0.043 0.000 0.651 554 G HN 0.518 nan 8.290 nan 0.000 0.523 555 L N 0.908 122.099 121.223 -0.054 0.000 2.612 555 L HA 0.371 4.711 4.340 0.001 0.000 0.230 555 L C 1.987 178.835 176.870 -0.037 0.000 1.140 555 L CA 0.491 55.298 54.840 -0.055 0.000 0.896 555 L CB -0.214 41.804 42.059 -0.068 0.000 1.065 555 L HN 0.818 nan 8.230 nan 0.000 0.447 556 G N 0.613 109.394 108.800 -0.032 0.000 2.395 556 G HA2 -0.216 3.744 3.960 0.001 0.000 0.300 556 G HA3 -0.216 3.744 3.960 0.001 0.000 0.300 556 G C 1.052 175.939 174.900 -0.023 0.000 0.998 556 G CA 0.487 45.572 45.100 -0.024 0.000 1.046 556 G HN 0.666 nan 8.290 nan 0.000 0.513 557 G N -1.280 107.503 108.800 -0.028 0.000 2.253 557 G HA2 -0.294 3.666 3.960 0.001 0.000 0.251 557 G HA3 -0.294 3.666 3.960 0.001 0.000 0.251 557 G C 0.708 175.590 174.900 -0.030 0.000 0.998 557 G CA 0.636 45.718 45.100 -0.030 0.000 0.621 557 G HN 0.963 nan 8.290 nan 0.000 0.524 558 R N 0.968 121.453 120.500 -0.025 0.000 2.421 558 R HA 0.308 4.649 4.340 0.001 0.000 0.305 558 R C 1.873 178.154 176.300 -0.031 0.000 1.039 558 R CA 0.378 56.466 56.100 -0.019 0.000 1.003 558 R CB 0.050 30.345 30.300 -0.009 0.000 0.959 558 R HN 0.762 nan 8.270 nan 0.000 0.427 559 I N 0.343 120.891 120.570 -0.036 0.000 3.860 559 I HA -0.047 4.123 4.170 0.001 0.000 0.319 559 I C 1.265 177.346 176.117 -0.060 0.000 1.279 559 I CA 0.151 61.416 61.300 -0.059 0.000 1.220 559 I CB -0.122 37.827 38.000 -0.085 0.000 1.027 559 I HN 0.382 nan 8.210 nan 0.000 0.428 560 N N 2.165 120.850 118.700 -0.026 0.000 2.037 560 N HA -0.317 4.424 4.740 0.001 0.000 0.196 560 N C 1.755 177.273 175.510 0.014 0.000 1.034 560 N CA 2.170 55.219 53.050 -0.001 0.000 0.861 560 N CB -0.590 37.919 38.487 0.036 0.000 1.039 560 N HN 0.298 nan 8.380 nan 0.000 0.427 561 M N -0.075 119.530 119.600 0.008 0.000 2.229 561 M HA 0.075 4.556 4.480 0.001 0.000 0.264 561 M C 1.490 177.794 176.300 0.007 0.000 1.063 561 M CA 1.136 56.439 55.300 0.006 0.000 1.114 561 M CB -0.240 32.333 32.600 -0.045 0.000 1.387 561 M HN 0.271 nan 8.290 nan 0.000 0.420 562 I N -0.379 120.183 120.570 -0.014 0.000 2.179 562 I HA -0.266 3.905 4.170 0.001 0.000 0.242 562 I C 2.036 178.166 176.117 0.021 0.000 1.088 562 I CA 1.372 62.666 61.300 -0.009 0.000 1.357 562 I CB -1.392 36.586 38.000 -0.036 0.000 1.051 562 I HN 0.309 nan 8.210 nan 0.000 0.409 563 M N 0.076 119.664 119.600 -0.021 0.000 2.319 563 M HA -0.142 4.339 4.480 0.001 0.000 0.265 563 M C 2.182 178.625 176.300 0.239 0.000 1.068 563 M CA 1.226 56.532 55.300 0.011 0.000 1.118 563 M CB -1.424 30.926 32.600 -0.417 0.000 1.395 563 M HN 0.247 nan 8.290 nan 0.000 0.435 564 Q N 0.515 120.442 119.800 0.211 0.000 2.119 564 Q HA -0.084 4.256 4.340 0.001 0.000 0.201 564 Q C 1.748 178.009 176.000 0.436 0.000 0.972 564 Q CA 2.132 58.141 55.803 0.342 0.000 0.847 564 Q CB -0.376 28.492 28.738 0.217 0.000 0.903 564 Q HN 0.456 nan 8.270 nan 0.000 0.433 565 T N 0.125 114.823 114.554 0.240 0.000 2.867 565 T HA -0.015 4.335 4.350 0.001 0.000 0.268 565 T C 1.677 176.512 174.700 0.224 0.000 1.057 565 T CA 1.033 63.248 62.100 0.192 0.000 1.136 565 T CB -0.455 68.460 68.868 0.079 0.000 0.874 565 T HN 0.457 nan 8.240 nan 0.000 0.466 566 A N 1.158 124.118 122.820 0.233 0.000 1.902 566 A HA -0.041 4.280 4.320 0.001 0.000 0.217 566 A C 1.981 179.722 177.584 0.262 0.000 1.181 566 A CA 1.362 53.529 52.037 0.216 0.000 0.623 566 A CB -0.900 18.248 19.000 0.246 0.000 0.818 566 A HN 0.511 nan 8.150 nan 0.000 0.443 567 F N -0.497 119.585 119.950 0.221 0.000 2.084 567 F HA -0.108 4.419 4.527 0.001 0.000 0.296 567 F C 1.914 177.631 175.800 -0.138 0.000 1.111 567 F CA 1.656 59.629 58.000 -0.046 0.000 1.224 567 F CB -0.545 38.547 39.000 0.153 0.000 0.991 567 F HN 0.191 nan 8.300 nan 0.000 0.471 568 F N 0.940 120.778 119.950 -0.186 0.000 2.161 568 F HA -0.171 4.356 4.527 0.001 0.000 0.300 568 F C 2.579 178.208 175.800 -0.285 0.000 1.089 568 F CA 1.998 59.805 58.000 -0.322 0.000 1.282 568 F CB -0.491 38.464 39.000 -0.074 0.000 1.010 568 F HN -0.018 nan 8.300 nan 0.000 0.485 569 K N -0.343 120.069 120.400 0.019 0.000 2.137 569 K HA -0.069 4.251 4.320 0.001 0.000 0.202 569 K C 1.378 177.957 176.600 -0.035 0.000 1.052 569 K CA 0.988 57.304 56.287 0.049 0.000 0.961 569 K CB 0.111 32.684 32.500 0.121 0.000 0.741 569 K HN 0.163 nan 8.250 nan 0.000 0.452 570 L N -0.215 120.934 121.223 -0.123 0.000 2.575 570 L HA 0.289 4.629 4.340 0.001 0.000 0.228 570 L C 1.969 178.761 176.870 -0.130 0.000 1.075 570 L CA 0.691 55.471 54.840 -0.100 0.000 0.867 570 L CB -0.160 41.841 42.059 -0.097 0.000 1.097 570 L HN 0.058 nan 8.230 nan 0.000 0.485 571 A N 0.194 122.706 122.820 -0.513 0.000 2.024 571 A HA 0.154 4.474 4.320 0.001 0.000 0.220 571 A C 1.893 179.308 177.584 -0.282 0.000 1.164 571 A CA 1.396 53.058 52.037 -0.626 0.000 0.643 571 A CB -0.857 17.404 19.000 -1.231 0.000 0.806 571 A HN 0.591 nan 8.150 nan 0.000 0.451 572 G N -1.965 106.674 108.800 -0.269 0.000 2.137 572 G HA2 -0.210 3.750 3.960 0.001 0.000 0.237 572 G HA3 -0.210 3.750 3.960 0.001 0.000 0.237 572 G C 0.992 175.795 174.900 -0.163 0.000 1.002 572 G CA 0.892 45.910 45.100 -0.137 0.000 0.702 572 G HN 1.701 nan 8.290 nan 0.000 0.515 573 V N -2.678 117.048 119.914 -0.313 0.000 2.825 573 V HA 0.654 4.774 4.120 0.001 0.000 0.246 573 V C 1.044 176.991 176.094 -0.247 0.000 1.068 573 V CA 1.092 63.216 62.300 -0.294 0.000 1.088 573 V CB 0.065 31.571 31.823 -0.529 0.000 0.733 573 V HN 0.405 nan 8.190 nan 0.000 0.468 574 L N 1.681 122.749 121.223 -0.258 0.000 2.370 574 L HA 0.609 4.950 4.340 0.001 0.000 0.266 574 L C -2.463 174.359 176.870 -0.079 0.000 1.002 574 L CA -2.034 52.715 54.840 -0.153 0.000 0.818 574 L CB 2.344 44.314 42.059 -0.149 0.000 1.325 574 L HN 0.044 nan 8.230 nan 0.000 0.418 575 P HA 0.026 nan 4.420 nan 0.000 0.272 575 P C 0.644 177.976 177.300 0.054 0.000 1.223 575 P CA -0.291 62.827 63.100 0.030 0.000 0.784 575 P CB 0.860 32.580 31.700 0.034 0.000 0.923 576 F N 2.343 122.280 119.950 -0.022 0.000 2.045 576 F HA -0.291 4.236 4.527 0.001 0.000 0.297 576 F C 2.156 177.957 175.800 0.001 0.000 1.114 576 F CA 2.118 60.112 58.000 -0.010 0.000 1.207 576 F CB -0.343 38.654 39.000 -0.005 0.000 0.964 576 F HN 0.408 nan 8.300 nan 0.000 0.486 577 E N -0.100 120.067 120.200 -0.056 0.000 2.085 577 E HA -0.289 4.061 4.350 0.001 0.000 0.194 577 E C 2.218 178.705 176.600 -0.189 0.000 0.994 577 E CA 1.550 57.844 56.400 -0.177 0.000 0.801 577 E CB -0.264 29.460 29.700 0.040 0.000 0.743 577 E HN 0.449 nan 8.360 nan 0.000 0.453 578 K N 0.589 120.929 120.400 -0.100 0.000 2.097 578 K HA -0.102 4.219 4.320 0.001 0.000 0.205 578 K C 2.127 178.680 176.600 -0.079 0.000 1.050 578 K CA 0.985 57.229 56.287 -0.072 0.000 0.938 578 K CB -0.063 32.417 32.500 -0.034 0.000 0.718 578 K HN 0.066 nan 8.250 nan 0.000 0.442 579 A N 0.733 123.499 122.820 -0.091 0.000 1.883 579 A HA -0.145 4.175 4.320 0.001 0.000 0.217 579 A C 2.224 179.752 177.584 -0.094 0.000 1.186 579 A CA 1.936 53.983 52.037 0.017 0.000 0.624 579 A CB -0.772 18.224 19.000 -0.007 0.000 0.822 579 A HN 0.174 nan 8.150 nan 0.000 0.444 580 V N 0.423 120.151 119.914 -0.311 0.000 2.358 580 V HA -0.233 3.887 4.120 0.001 0.000 0.246 580 V C 2.337 178.296 176.094 -0.226 0.000 1.047 580 V CA 2.355 64.462 62.300 -0.322 0.000 1.035 580 V CB -0.925 30.617 31.823 -0.468 0.000 0.658 580 V HN 0.709 nan 8.190 nan 0.000 0.452 581 D N 0.245 120.532 120.400 -0.188 0.000 2.103 581 D HA -0.204 4.436 4.640 0.001 0.000 0.190 581 D C 1.907 178.145 176.300 -0.103 0.000 0.997 581 D CA 1.507 55.435 54.000 -0.120 0.000 0.833 581 D CB -0.211 40.534 40.800 -0.091 0.000 0.961 581 D HN 0.187 nan 8.370 nan 0.000 0.447 582 L N 0.403 121.573 121.223 -0.088 0.000 2.127 582 L HA -0.082 4.258 4.340 0.001 0.000 0.211 582 L C 2.428 179.199 176.870 -0.166 0.000 1.089 582 L CA 1.150 55.952 54.840 -0.064 0.000 0.757 582 L CB -0.849 41.231 42.059 0.037 0.000 0.899 582 L HN 0.299 nan 8.230 nan 0.000 0.434 583 L N -1.189 119.833 121.223 -0.335 0.000 2.023 583 L HA -0.180 4.161 4.340 0.001 0.000 0.205 583 L C 2.567 179.296 176.870 -0.235 0.000 1.073 583 L CA 1.135 55.673 54.840 -0.503 0.000 0.745 583 L CB -0.244 41.409 42.059 -0.676 0.000 0.900 583 L HN 0.196 nan 8.230 nan 0.000 0.435 584 K N 0.130 120.438 120.400 -0.154 0.000 2.063 584 K HA -0.173 4.147 4.320 0.001 0.000 0.208 584 K C 2.005 178.648 176.600 0.072 0.000 1.048 584 K CA 1.051 57.315 56.287 -0.038 0.000 0.928 584 K CB -0.248 32.242 32.500 -0.016 0.000 0.713 584 K HN 0.289 nan 8.250 nan 0.000 0.442 585 K N 0.885 121.293 120.400 0.015 0.000 1.978 585 K HA -0.125 4.195 4.320 0.001 0.000 0.214 585 K C 2.300 178.938 176.600 0.064 0.000 1.049 585 K CA 1.889 58.199 56.287 0.038 0.000 0.939 585 K CB -0.716 31.777 32.500 -0.012 0.000 0.721 585 K HN 0.281 nan 8.250 nan 0.000 0.441 586 S N 1.362 117.066 115.700 0.007 0.000 2.402 586 S HA -0.152 4.319 4.470 0.001 0.000 0.233 586 S C 2.192 176.822 174.600 0.049 0.000 1.030 586 S CA 1.201 59.410 58.200 0.015 0.000 1.003 586 S CB -0.706 62.484 63.200 -0.017 0.000 0.813 586 S HN 0.248 nan 8.310 nan 0.000 0.477 587 I N 1.215 121.809 120.570 0.041 0.000 2.286 587 I HA -0.191 3.979 4.170 0.001 0.000 0.248 587 I C 2.618 178.764 176.117 0.049 0.000 1.115 587 I CA 1.814 63.153 61.300 0.066 0.000 1.392 587 I CB -0.484 37.468 38.000 -0.080 0.000 1.065 587 I HN 0.363 nan 8.210 nan 0.000 0.418 588 H N 0.276 119.367 119.070 0.036 0.000 2.395 588 H HA -0.124 4.432 4.556 0.001 0.000 0.299 588 H C 2.223 177.568 175.328 0.028 0.000 1.070 588 H CA 1.390 57.456 56.048 0.029 0.000 1.356 588 H CB 0.033 29.794 29.762 -0.002 0.000 1.401 588 H HN 0.180 nan 8.280 nan 0.000 0.524 589 K N 1.003 121.481 120.400 0.131 0.000 1.965 589 K HA -0.086 4.235 4.320 0.001 0.000 0.218 589 K C 1.271 177.885 176.600 0.023 0.000 1.048 589 K CA 1.043 57.364 56.287 0.057 0.000 0.960 589 K CB -0.279 32.238 32.500 0.029 0.000 0.732 589 K HN 0.226 nan 8.250 nan 0.000 0.444 590 A N -0.171 122.645 122.820 -0.005 0.000 2.261 590 A HA 0.204 4.525 4.320 0.001 0.000 0.275 590 A C -0.144 177.416 177.584 -0.041 0.000 1.246 590 A CA 0.216 52.184 52.037 -0.115 0.000 0.810 590 A CB -0.493 18.370 19.000 -0.228 0.000 1.168 590 A HN 0.497 nan 8.150 nan 0.000 0.506 591 Y N -2.001 118.272 120.300 -0.046 0.000 2.353 591 Y HA -0.256 4.294 4.550 0.000 0.000 0.357 591 Y C 2.002 177.873 175.900 -0.049 0.000 0.979 591 Y CA 1.702 59.768 58.100 -0.058 0.000 1.930 591 Y CB -1.591 36.816 38.460 -0.088 0.000 0.989 591 Y HN 2.137 nan 8.280 nan 0.000 0.724 592 G N -0.484 108.403 108.800 0.145 0.000 2.200 592 G HA2 -0.423 3.537 3.960 0.001 0.000 0.268 592 G HA3 -0.423 3.537 3.960 0.001 0.000 0.268 592 G C 0.830 175.760 174.900 0.051 0.000 0.986 592 G CA 1.650 46.791 45.100 0.068 0.000 0.677 592 G HN 0.891 nan 8.290 nan 0.000 0.532 593 K N -0.157 120.275 120.400 0.053 0.000 2.128 593 K HA 0.235 4.556 4.320 0.001 0.000 0.202 593 K C 1.336 177.949 176.600 0.021 0.000 1.050 593 K CA 1.156 57.456 56.287 0.023 0.000 0.966 593 K CB 0.057 32.559 32.500 0.003 0.000 0.759 593 K HN 0.179 nan 8.250 nan 0.000 0.454 594 K N 1.663 122.084 120.400 0.035 0.000 3.016 594 K HA 0.293 4.614 4.320 0.001 0.000 0.226 594 K C -0.327 176.280 176.600 0.011 0.000 1.245 594 K CA 0.062 56.361 56.287 0.020 0.000 1.174 594 K CB 0.486 32.999 32.500 0.022 0.000 1.572 594 K HN 0.504 nan 8.250 nan 0.000 0.462 595 G N 1.242 110.048 108.800 0.011 0.000 2.804 595 G HA2 -0.258 3.703 3.960 0.001 0.000 0.230 595 G HA3 -0.258 3.703 3.960 0.001 0.000 0.230 595 G C 0.343 175.242 174.900 -0.003 0.000 1.386 595 G CA -0.612 44.491 45.100 0.005 0.000 0.875 595 G HN 0.406 nan 8.290 nan 0.000 0.557 596 E N -0.104 120.093 120.200 -0.005 0.000 2.427 596 E HA -0.039 4.312 4.350 0.001 0.000 0.196 596 E C 2.285 178.860 176.600 -0.041 0.000 1.028 596 E CA 1.054 57.444 56.400 -0.016 0.000 0.864 596 E CB -0.038 29.664 29.700 0.004 0.000 0.813 596 E HN 0.615 nan 8.360 nan 0.000 0.514 597 K N 0.839 121.218 120.400 -0.036 0.000 1.985 597 K HA -0.119 4.202 4.320 0.001 0.000 0.210 597 K C 1.942 178.497 176.600 -0.075 0.000 1.047 597 K CA 1.064 57.324 56.287 -0.046 0.000 0.932 597 K CB 0.014 32.494 32.500 -0.033 0.000 0.716 597 K HN -0.032 nan 8.250 nan 0.000 0.439 598 I N 1.264 121.789 120.570 -0.075 0.000 2.286 598 I HA -0.209 3.961 4.170 0.001 0.000 0.248 598 I C 2.395 178.384 176.117 -0.213 0.000 1.115 598 I CA 0.949 62.176 61.300 -0.122 0.000 1.392 598 I CB -0.948 37.014 38.000 -0.062 0.000 1.065 598 I HN 0.071 nan 8.210 nan 0.000 0.418 599 V N 1.407 121.214 119.914 -0.178 0.000 2.261 599 V HA -0.298 3.822 4.120 0.001 0.000 0.246 599 V C 2.655 178.601 176.094 -0.246 0.000 1.047 599 V CA 2.134 64.277 62.300 -0.261 0.000 1.015 599 V CB -0.735 30.934 31.823 -0.256 0.000 0.642 599 V HN 0.323 nan 8.190 nan 0.000 0.446 600 K N 0.346 120.651 120.400 -0.157 0.000 2.074 600 K HA -0.186 4.135 4.320 0.001 0.000 0.209 600 K C 1.995 178.519 176.600 -0.126 0.000 1.048 600 K CA 2.022 58.241 56.287 -0.114 0.000 0.926 600 K CB -0.557 31.902 32.500 -0.068 0.000 0.713 600 K HN 0.427 nan 8.250 nan 0.000 0.444 601 M N 0.057 119.573 119.600 -0.140 0.000 2.108 601 M HA -0.172 4.308 4.480 0.001 0.000 0.261 601 M C 1.684 177.880 176.300 -0.173 0.000 1.066 601 M CA 2.170 57.388 55.300 -0.138 0.000 1.107 601 M CB -0.515 32.002 32.600 -0.138 0.000 1.356 601 M HN 0.211 nan 8.290 nan 0.000 0.406 602 N N -0.599 117.947 118.700 -0.257 0.000 2.331 602 N HA -0.086 4.654 4.740 0.001 0.000 0.180 602 N C 1.571 176.960 175.510 -0.201 0.000 1.019 602 N CA 1.279 54.157 53.050 -0.286 0.000 0.881 602 N CB -0.092 38.097 38.487 -0.497 0.000 0.972 602 N HN 0.204 nan 8.380 nan 0.000 0.435 603 T N 0.369 114.813 114.554 -0.183 0.000 2.821 603 T HA -0.079 4.271 4.350 0.001 0.000 0.267 603 T C 0.870 175.519 174.700 -0.085 0.000 1.046 603 T CA 1.063 63.087 62.100 -0.125 0.000 1.139 603 T CB -0.193 68.613 68.868 -0.104 0.000 0.871 603 T HN 0.195 nan 8.240 nan 0.000 0.454 604 D N 1.199 121.549 120.400 -0.083 0.000 2.144 604 D HA 0.045 4.685 4.640 0.001 0.000 0.200 604 D C 2.272 178.539 176.300 -0.054 0.000 0.978 604 D CA 1.037 55.002 54.000 -0.058 0.000 0.833 604 D CB -0.432 40.334 40.800 -0.057 0.000 0.961 604 D HN 0.395 nan 8.370 nan 0.000 0.470 605 A N 0.661 123.437 122.820 -0.073 0.000 1.877 605 A HA -0.145 4.175 4.320 0.001 0.000 0.216 605 A C 2.524 180.081 177.584 -0.045 0.000 1.186 605 A CA 1.257 53.257 52.037 -0.062 0.000 0.620 605 A CB -0.827 18.124 19.000 -0.082 0.000 0.822 605 A HN 0.134 nan 8.150 nan 0.000 0.443 606 V N 0.675 120.555 119.914 -0.057 0.000 2.255 606 V HA -0.282 3.839 4.120 0.001 0.000 0.247 606 V C 2.287 178.372 176.094 -0.015 0.000 1.051 606 V CA 2.433 64.707 62.300 -0.042 0.000 1.018 606 V CB -0.861 30.918 31.823 -0.074 0.000 0.641 606 V HN 0.515 nan 8.190 nan 0.000 0.445 607 D N -0.617 119.774 120.400 -0.016 0.000 2.106 607 D HA -0.243 4.397 4.640 0.001 0.000 0.191 607 D C 2.196 178.507 176.300 0.018 0.000 0.997 607 D CA 1.769 55.774 54.000 0.008 0.000 0.834 607 D CB -0.260 40.541 40.800 0.000 0.000 0.956 607 D HN 0.524 nan 8.370 nan 0.000 0.448 608 Q N -0.171 119.631 119.800 0.003 0.000 2.224 608 Q HA -0.042 4.299 4.340 0.001 0.000 0.203 608 Q C 1.920 177.929 176.000 0.016 0.000 0.970 608 Q CA 1.175 56.982 55.803 0.007 0.000 0.865 608 Q CB 0.040 28.774 28.738 -0.006 0.000 0.922 608 Q HN 0.225 nan 8.270 nan 0.000 0.445 609 A N -0.431 122.399 122.820 0.016 0.000 1.898 609 A HA -0.110 4.211 4.320 0.001 0.000 0.216 609 A C 2.148 179.764 177.584 0.054 0.000 1.181 609 A CA 1.295 53.349 52.037 0.028 0.000 0.620 609 A CB -0.650 18.365 19.000 0.025 0.000 0.819 609 A HN 0.278 nan 8.150 nan 0.000 0.442 610 V N -0.186 119.768 119.914 0.067 0.000 2.407 610 V HA -0.227 3.894 4.120 0.001 0.000 0.248 610 V C 2.736 178.888 176.094 0.096 0.000 1.055 610 V CA 2.474 64.841 62.300 0.112 0.000 1.049 610 V CB -1.130 30.786 31.823 0.156 0.000 0.662 610 V HN 0.606 nan 8.190 nan 0.000 0.455 611 T N -0.275 114.319 114.554 0.066 0.000 2.777 611 T HA -0.137 4.213 4.350 0.001 0.000 0.266 611 T C 1.960 176.686 174.700 0.043 0.000 1.040 611 T CA 1.904 64.033 62.100 0.047 0.000 1.141 611 T CB -0.178 68.709 68.868 0.031 0.000 0.868 611 T HN 0.531 nan 8.240 nan 0.000 0.444 612 S N 0.730 116.456 115.700 0.044 0.000 2.528 612 S HA 0.201 4.671 4.470 0.001 0.000 0.219 612 S C 0.455 175.100 174.600 0.075 0.000 0.985 612 S CA 0.004 58.230 58.200 0.044 0.000 0.914 612 S CB -0.028 63.189 63.200 0.028 0.000 0.776 612 S HN 0.168 nan 8.310 nan 0.000 0.526 613 L N 3.827 125.109 121.223 0.099 0.000 2.462 613 L HA 0.340 4.680 4.340 0.001 0.000 0.283 613 L C -0.034 176.997 176.870 0.268 0.000 1.166 613 L CA 0.831 55.772 54.840 0.170 0.000 0.964 613 L CB -0.922 41.195 42.059 0.096 0.000 1.294 613 L HN 0.229 nan 8.230 nan 0.000 0.449 614 Q N 2.005 121.962 119.800 0.262 0.000 2.397 614 Q HA 0.371 4.711 4.340 0.001 0.000 0.275 614 Q C -0.333 175.610 176.000 -0.094 0.000 1.090 614 Q CA -0.750 55.138 55.803 0.141 0.000 0.809 614 Q CB 2.209 30.963 28.738 0.027 0.000 1.362 614 Q HN 0.429 nan 8.270 nan 0.000 0.431 615 E N 1.010 120.985 120.200 -0.375 0.000 2.442 615 E HA -0.002 4.348 4.350 0.001 0.000 0.262 615 E C -0.785 175.642 176.600 -0.289 0.000 1.004 615 E CA 0.319 56.334 56.400 -0.642 0.000 0.928 615 E CB 0.478 29.907 29.700 -0.452 0.000 0.937 615 E HN 0.316 nan 8.360 nan 0.000 0.446 616 F N 3.301 123.037 119.950 -0.357 0.000 2.411 616 F HA 0.146 4.673 4.527 0.000 0.000 0.355 616 F C 0.109 175.856 175.800 -0.089 0.000 1.117 616 F CA -0.803 57.098 58.000 -0.164 0.000 1.139 616 F CB 0.599 39.490 39.000 -0.182 0.000 1.120 616 F HN 0.043 nan 8.300 nan 0.000 0.493 617 K N 7.903 128.049 120.400 -0.424 0.000 2.250 617 K HA 0.082 4.403 4.320 0.001 0.000 0.285 617 K C -1.072 175.320 176.600 -0.347 0.000 1.097 617 K CA -0.172 55.882 56.287 -0.388 0.000 0.913 617 K CB 0.026 32.300 32.500 -0.377 0.000 1.179 617 K HN 0.615 nan 8.250 nan 0.000 0.462 618 Y N 1.801 121.994 120.300 -0.178 0.000 2.334 618 Y HA 0.556 5.107 4.550 0.000 0.000 0.328 618 Y C -2.069 173.542 175.900 -0.482 0.000 1.130 618 Y CA -3.270 54.494 58.100 -0.560 0.000 1.163 618 Y CB -0.245 37.711 38.460 -0.839 0.000 1.207 618 Y HN 0.377 nan 8.280 nan 0.000 0.471 619 P HA 0.066 nan 4.420 nan 0.000 0.274 619 P C -0.369 176.933 177.300 0.004 0.000 1.237 619 P CA -0.102 62.891 63.100 -0.178 0.000 0.793 619 P CB 1.514 33.127 31.700 -0.145 0.000 0.977 620 D N 0.423 120.849 120.400 0.044 0.000 2.219 620 D HA -0.145 4.495 4.640 0.001 0.000 0.205 620 D C 1.721 178.106 176.300 0.142 0.000 0.970 620 D CA 1.456 55.520 54.000 0.108 0.000 0.851 620 D CB -0.128 40.709 40.800 0.061 0.000 0.943 620 D HN 0.341 nan 8.370 nan 0.000 0.488 621 S N -1.011 114.769 115.700 0.134 0.000 2.537 621 S HA -0.142 4.328 4.470 0.001 0.000 0.240 621 S C 1.546 176.323 174.600 0.294 0.000 0.981 621 S CA 0.093 58.397 58.200 0.173 0.000 0.948 621 S CB -0.643 62.648 63.200 0.151 0.000 0.759 621 S HN 0.353 nan 8.310 nan 0.000 0.531 622 W N 2.438 123.772 121.300 0.056 0.000 2.519 622 W HA 0.265 4.925 4.660 0.000 0.000 0.266 622 W C 2.061 178.561 176.519 -0.031 0.000 1.253 622 W CA -0.530 56.818 57.345 0.005 0.000 1.274 622 W CB -0.479 28.972 29.460 -0.016 0.000 1.114 622 W HN 0.347 nan 8.180 nan 0.000 0.596 623 K N -0.021 120.502 120.400 0.206 0.000 2.160 623 K HA -0.191 4.129 4.320 0.001 0.000 0.206 623 K C 0.044 176.674 176.600 0.051 0.000 1.047 623 K CA 1.802 58.148 56.287 0.100 0.000 0.930 623 K CB -0.329 32.226 32.500 0.091 0.000 0.720 623 K HN 0.220 nan 8.250 nan 0.000 0.450 624 D N -1.376 119.059 120.400 0.058 0.000 2.945 624 D HA 0.227 4.867 4.640 0.001 0.000 0.369 624 D C -0.825 175.481 176.300 0.011 0.000 1.294 624 D CA -0.500 53.512 54.000 0.021 0.000 0.778 624 D CB 0.595 41.408 40.800 0.021 0.000 1.188 624 D HN 0.032 nan 8.370 nan 0.000 0.479 625 A N 2.003 124.816 122.820 -0.012 0.000 2.511 625 A HA 0.456 4.776 4.320 0.001 0.000 0.242 625 A C -1.741 175.804 177.584 -0.064 0.000 1.069 625 A CA -0.898 51.110 52.037 -0.048 0.000 0.763 625 A CB -0.009 18.895 19.000 -0.160 0.000 1.001 625 A HN 0.342 nan 8.150 nan 0.000 0.498 626 P HA 0.264 nan 4.420 nan 0.000 0.269 626 P C -0.050 177.205 177.300 -0.076 0.000 1.209 626 P CA 0.189 63.258 63.100 -0.053 0.000 0.776 626 P CB 0.746 32.422 31.700 -0.041 0.000 0.876 627 A N 2.569 125.349 122.820 -0.067 0.000 2.313 627 A HA 0.334 4.655 4.320 0.001 0.000 0.261 627 A C 0.613 178.153 177.584 -0.073 0.000 1.090 627 A CA -0.443 51.549 52.037 -0.075 0.000 0.807 627 A CB -0.055 18.907 19.000 -0.063 0.000 1.055 627 A HN 0.695 nan 8.150 nan 0.000 0.492 628 E N -0.228 119.925 120.200 -0.078 0.000 2.254 628 E HA 0.568 4.918 4.350 0.001 0.000 0.258 628 E C 0.116 176.681 176.600 -0.059 0.000 1.033 628 E CA -0.266 56.090 56.400 -0.073 0.000 0.893 628 E CB 0.766 30.414 29.700 -0.086 0.000 1.204 628 E HN 0.673 nan 8.360 nan 0.000 0.425 629 T N -1.554 112.967 114.554 -0.054 0.000 2.793 629 T HA 0.279 4.629 4.350 0.001 0.000 0.299 629 T C -0.037 174.638 174.700 -0.042 0.000 1.038 629 T CA -0.861 61.213 62.100 -0.044 0.000 0.948 629 T CB 0.399 69.243 68.868 -0.039 0.000 1.231 629 T HN 0.624 nan 8.240 nan 0.000 0.538 630 K N -0.410 119.969 120.400 -0.035 0.000 2.507 630 K HA 0.695 5.015 4.320 0.001 0.000 0.253 630 K C -0.063 176.522 176.600 -0.026 0.000 0.969 630 K CA -1.041 55.227 56.287 -0.031 0.000 0.908 630 K CB 1.454 33.937 32.500 -0.029 0.000 1.127 630 K HN 0.584 nan 8.250 nan 0.000 0.437 631 A N 3.085 125.890 122.820 -0.024 0.000 2.415 631 A HA 0.046 4.366 4.320 0.001 0.000 0.248 631 A C -0.214 177.363 177.584 -0.013 0.000 1.299 631 A CA -0.346 51.680 52.037 -0.018 0.000 0.899 631 A CB -0.571 18.418 19.000 -0.018 0.000 0.997 631 A HN 0.882 nan 8.150 nan 0.000 0.506 632 E N 2.248 122.440 120.200 -0.013 0.000 2.606 632 E HA 0.264 4.614 4.350 0.001 0.000 0.248 632 E C -1.916 174.676 176.600 -0.014 0.000 1.005 632 E CA -1.036 55.360 56.400 -0.008 0.000 0.946 632 E CB -0.410 29.286 29.700 -0.007 0.000 0.928 632 E HN 0.395 nan 8.360 nan 0.000 0.494 633 P HA -0.034 nan 4.420 nan 0.000 0.274 633 P C -0.192 177.077 177.300 -0.050 0.000 1.260 633 P CA -0.604 62.483 63.100 -0.021 0.000 0.793 633 P CB 0.561 32.256 31.700 -0.009 0.000 1.048 634 M N 0.876 120.449 119.600 -0.045 0.000 2.268 634 M HA 0.109 4.589 4.480 0.001 0.000 0.349 634 M C 0.077 176.272 176.300 -0.175 0.000 1.485 634 M CA 0.975 56.233 55.300 -0.071 0.000 1.094 634 M CB -0.339 32.246 32.600 -0.025 0.000 1.843 634 M HN 0.499 nan 8.290 nan 0.000 0.460 635 T N 3.779 118.150 114.554 -0.303 0.000 2.626 635 T HA 0.426 4.776 4.350 0.001 0.000 0.279 635 T C -0.517 173.793 174.700 -0.650 0.000 0.983 635 T CA -0.630 61.009 62.100 -0.767 0.000 1.059 635 T CB 1.321 69.824 68.868 -0.608 0.000 1.396 635 T HN 0.664 nan 8.240 nan 0.000 0.519 636 N N 1.520 119.740 118.700 -0.799 0.000 2.508 636 N HA 0.173 4.913 4.740 0.001 0.000 0.285 636 N C 1.151 176.660 175.510 -0.002 0.000 1.144 636 N CA -0.251 52.676 53.050 -0.204 0.000 0.978 636 N CB 1.571 40.120 38.487 0.103 0.000 1.180 636 N HN 0.696 nan 8.380 nan 0.000 0.484 637 E N 2.168 122.403 120.200 0.059 0.000 2.077 637 E HA -0.207 4.144 4.350 0.001 0.000 0.193 637 E C 1.585 178.240 176.600 0.093 0.000 0.989 637 E CA 1.289 57.722 56.400 0.056 0.000 0.800 637 E CB -0.734 29.001 29.700 0.060 0.000 0.746 637 E HN 0.637 nan 8.360 nan 0.000 0.452 638 F N 0.752 120.723 119.950 0.035 0.000 2.186 638 F HA -0.051 4.477 4.527 0.000 0.000 0.299 638 F C 2.197 178.038 175.800 0.069 0.000 1.090 638 F CA 1.158 59.179 58.000 0.035 0.000 1.307 638 F CB -0.351 38.692 39.000 0.071 0.000 1.019 638 F HN 0.015 nan 8.300 nan 0.000 0.489 639 F N 1.089 121.096 119.950 0.094 0.000 2.146 639 F HA -0.136 4.392 4.527 0.001 0.000 0.298 639 F C 2.209 177.955 175.800 -0.090 0.000 1.096 639 F CA 1.743 59.761 58.000 0.030 0.000 1.275 639 F CB -0.384 38.613 39.000 -0.005 0.000 1.008 639 F HN -0.173 nan 8.300 nan 0.000 0.480 640 K N -0.276 120.137 120.400 0.022 0.000 2.103 640 K HA -0.103 4.217 4.320 0.001 0.000 0.204 640 K C 1.545 178.044 176.600 -0.167 0.000 1.052 640 K CA 1.374 57.625 56.287 -0.059 0.000 0.945 640 K CB -0.200 32.285 32.500 -0.025 0.000 0.722 640 K HN 0.234 nan 8.250 nan 0.000 0.443 641 N N -0.199 118.377 118.700 -0.206 0.000 2.415 641 N HA -0.032 4.709 4.740 0.001 0.000 0.176 641 N C 1.468 176.748 175.510 -0.384 0.000 1.042 641 N CA 0.738 53.635 53.050 -0.255 0.000 0.902 641 N CB 0.612 38.971 38.487 -0.213 0.000 0.986 641 N HN -0.029 nan 8.380 nan 0.000 0.447 642 V N -0.627 118.944 119.914 -0.571 0.000 3.102 642 V HA 0.081 4.201 4.120 0.001 0.000 0.225 642 V C 1.951 177.787 176.094 -0.430 0.000 1.301 642 V CA 0.348 62.274 62.300 -0.623 0.000 1.308 642 V CB 0.047 31.198 31.823 -1.121 0.000 1.129 642 V HN 0.049 nan 8.190 nan 0.000 0.502 643 V N 0.398 120.023 119.914 -0.481 0.000 2.488 643 V HA -0.112 4.008 4.120 0.001 0.000 0.246 643 V C 2.237 178.055 176.094 -0.460 0.000 1.046 643 V CA 2.732 64.842 62.300 -0.316 0.000 1.053 643 V CB -0.253 31.512 31.823 -0.095 0.000 0.679 643 V HN 0.551 nan 8.190 nan 0.000 0.458 644 K N 0.384 120.329 120.400 -0.758 0.000 2.057 644 K HA -0.063 4.258 4.320 0.001 0.000 0.207 644 K C -0.056 176.411 176.600 -0.222 0.000 1.049 644 K CA 1.826 57.791 56.287 -0.536 0.000 0.931 644 K CB -1.039 31.181 32.500 -0.465 0.000 0.714 644 K HN 0.468 nan 8.250 nan 0.000 0.440 645 P HA -0.146 nan 4.420 nan 0.000 0.215 645 P C 1.023 178.305 177.300 -0.030 0.000 1.153 645 P CA 1.289 64.332 63.100 -0.096 0.000 0.853 645 P CB 0.073 31.704 31.700 -0.114 0.000 0.788 646 I N -1.572 118.980 120.570 -0.029 0.000 2.202 646 I HA -0.199 3.971 4.170 0.001 0.000 0.242 646 I C 2.242 178.396 176.117 0.063 0.000 1.091 646 I CA 1.227 62.553 61.300 0.044 0.000 1.368 646 I CB -0.637 37.417 38.000 0.089 0.000 1.058 646 I HN -0.121 nan 8.210 nan 0.000 0.410 647 L N 0.352 121.599 121.223 0.040 0.000 2.131 647 L HA -0.172 4.168 4.340 0.001 0.000 0.210 647 L C 2.280 179.265 176.870 0.191 0.000 1.092 647 L CA 1.744 56.647 54.840 0.104 0.000 0.759 647 L CB -0.857 41.249 42.059 0.078 0.000 0.903 647 L HN 0.429 nan 8.230 nan 0.000 0.435 648 T N -3.798 110.837 114.554 0.135 0.000 3.272 648 T HA 0.044 4.395 4.350 0.001 0.000 0.250 648 T C 0.658 175.523 174.700 0.276 0.000 1.082 648 T CA -0.308 61.918 62.100 0.210 0.000 0.968 648 T CB 0.190 69.086 68.868 0.048 0.000 1.015 648 T HN 0.312 nan 8.240 nan 0.000 0.563 649 Q N -0.033 119.890 119.800 0.204 0.000 2.503 649 Q HA -0.157 4.184 4.340 0.001 0.000 0.267 649 Q C 0.202 176.264 176.000 0.104 0.000 1.030 649 Q CA 0.787 56.675 55.803 0.141 0.000 1.041 649 Q CB -2.044 26.793 28.738 0.165 0.000 1.406 649 Q HN 0.632 nan 8.270 nan 0.000 0.524 650 Q N -1.562 118.285 119.800 0.079 0.000 2.179 650 Q HA 0.221 4.562 4.340 0.001 0.000 0.213 650 Q C 1.732 177.761 176.000 0.049 0.000 0.833 650 Q CA 0.725 56.560 55.803 0.054 0.000 0.990 650 Q CB 0.655 29.412 28.738 0.031 0.000 1.132 650 Q HN 0.462 nan 8.270 nan 0.000 0.493 651 G N 2.048 110.886 108.800 0.063 0.000 2.513 651 G HA2 -0.299 3.661 3.960 0.001 0.000 0.219 651 G HA3 -0.299 3.661 3.960 0.001 0.000 0.219 651 G C 1.093 176.057 174.900 0.106 0.000 1.160 651 G CA 0.967 46.125 45.100 0.097 0.000 0.767 651 G HN 0.326 nan 8.290 nan 0.000 0.571 652 D N 0.455 120.895 120.400 0.065 0.000 2.271 652 D HA -0.093 4.547 4.640 0.001 0.000 0.207 652 D C 2.282 178.621 176.300 0.065 0.000 0.983 652 D CA 0.908 54.942 54.000 0.056 0.000 0.878 652 D CB -0.039 40.780 40.800 0.030 0.000 0.920 652 D HN 0.400 nan 8.370 nan 0.000 0.479 653 K N -0.141 120.293 120.400 0.056 0.000 2.365 653 K HA -0.015 4.306 4.320 0.001 0.000 0.197 653 K C 0.423 177.048 176.600 0.042 0.000 1.042 653 K CA -0.219 56.091 56.287 0.039 0.000 0.987 653 K CB 0.354 32.865 32.500 0.019 0.000 0.779 653 K HN -0.014 nan 8.250 nan 0.000 0.484 654 L N 3.261 124.528 121.223 0.072 0.000 2.462 654 L HA 0.067 4.407 4.340 0.001 0.000 0.272 654 L C -1.775 175.170 176.870 0.125 0.000 1.166 654 L CA -1.914 52.955 54.840 0.049 0.000 0.880 654 L CB -0.091 42.004 42.059 0.060 0.000 1.142 654 L HN 0.042 nan 8.230 nan 0.000 0.473 655 P HA 0.056 nan 4.420 nan 0.000 0.277 655 P C 0.954 178.353 177.300 0.166 0.000 1.271 655 P CA -0.410 62.740 63.100 0.084 0.000 0.795 655 P CB 1.116 32.829 31.700 0.020 0.000 1.101 656 V N 0.339 120.353 119.914 0.166 0.000 2.594 656 V HA -0.186 3.934 4.120 0.001 0.000 0.253 656 V C 2.187 178.385 176.094 0.173 0.000 1.069 656 V CA 2.739 65.178 62.300 0.232 0.000 1.082 656 V CB -1.600 30.297 31.823 0.122 0.000 0.680 656 V HN 0.722 nan 8.190 nan 0.000 0.469 657 S N 0.713 116.445 115.700 0.053 0.000 2.469 657 S HA 0.043 4.513 4.470 0.001 0.000 0.238 657 S C 1.979 176.524 174.600 -0.092 0.000 0.998 657 S CA 1.117 59.314 58.200 -0.004 0.000 0.957 657 S CB -0.601 62.586 63.200 -0.021 0.000 0.764 657 S HN 1.046 nan 8.310 nan 0.000 0.514 658 A N 0.371 123.046 122.820 -0.242 0.000 2.119 658 A HA 0.381 4.702 4.320 0.001 0.000 0.217 658 A C 0.399 177.559 177.584 -0.708 0.000 1.153 658 A CA 0.179 51.879 52.037 -0.563 0.000 0.692 658 A CB -0.433 18.046 19.000 -0.870 0.000 0.799 658 A HN 0.528 nan 8.150 nan 0.000 0.458 659 F N -0.186 119.759 119.950 -0.009 0.000 2.507 659 F HA 0.439 4.966 4.527 0.000 0.000 0.327 659 F C 0.424 176.228 175.800 0.006 0.000 1.068 659 F CA -1.187 56.812 58.000 -0.001 0.000 0.965 659 F CB 0.848 39.873 39.000 0.042 0.000 1.192 659 F HN -0.069 nan 8.300 nan 0.000 0.476 660 E N 0.762 121.075 120.200 0.188 0.000 2.338 660 E HA 0.194 4.544 4.350 0.001 0.000 0.272 660 E C 0.727 177.412 176.600 0.142 0.000 1.029 660 E CA 0.069 56.542 56.400 0.123 0.000 0.872 660 E CB 1.542 31.300 29.700 0.096 0.000 1.015 660 E HN 0.804 nan 8.360 nan 0.000 0.417 661 A N 3.915 126.792 122.820 0.095 0.000 1.948 661 A HA -0.236 4.085 4.320 0.001 0.000 0.220 661 A C 1.387 179.027 177.584 0.093 0.000 1.177 661 A CA 2.122 54.202 52.037 0.071 0.000 0.636 661 A CB -0.323 18.707 19.000 0.049 0.000 0.815 661 A HN 0.626 nan 8.150 nan 0.000 0.449 662 D N -2.367 118.103 120.400 0.117 0.000 2.328 662 D HA 0.297 4.937 4.640 0.001 0.000 0.226 662 D C 1.131 177.558 176.300 0.213 0.000 1.066 662 D CA 0.869 54.955 54.000 0.144 0.000 0.861 662 D CB -0.637 40.232 40.800 0.116 0.000 0.912 662 D HN 0.820 nan 8.370 nan 0.000 0.521 663 G N 1.114 110.072 108.800 0.264 0.000 2.179 663 G HA2 -0.363 3.597 3.960 0.001 0.000 0.260 663 G HA3 -0.363 3.597 3.960 0.001 0.000 0.260 663 G C 0.368 175.505 174.900 0.395 0.000 0.977 663 G CA 0.171 45.501 45.100 0.383 0.000 0.641 663 G HN 0.779 nan 8.290 nan 0.000 0.533 664 R N -1.017 119.656 120.500 0.288 0.000 2.694 664 R HA 0.642 4.982 4.340 0.001 0.000 0.268 664 R C -0.672 175.825 176.300 0.328 0.000 1.061 664 R CA -0.104 56.165 56.100 0.283 0.000 1.133 664 R CB 0.453 30.851 30.300 0.163 0.000 1.020 664 R HN 0.093 nan 8.270 nan 0.000 0.475 665 F N 0.919 120.926 119.950 0.095 0.000 2.593 665 F HA 0.529 5.057 4.527 0.001 0.000 0.320 665 F C -1.848 173.910 175.800 -0.069 0.000 1.060 665 F CA -2.379 55.648 58.000 0.045 0.000 0.940 665 F CB 1.961 41.038 39.000 0.128 0.000 1.268 665 F HN 0.601 nan 8.300 nan 0.000 0.475 666 P HA 0.406 nan 4.420 nan 0.000 0.282 666 P C -1.122 176.194 177.300 0.026 0.000 1.259 666 P CA -0.429 62.592 63.100 -0.131 0.000 0.826 666 P CB 1.361 32.825 31.700 -0.393 0.000 1.064 667 L N 0.355 121.597 121.223 0.033 0.000 2.466 667 L HA 0.397 4.737 4.340 0.001 0.000 0.257 667 L C 1.748 178.665 176.870 0.079 0.000 1.189 667 L CA 1.528 56.409 54.840 0.069 0.000 0.813 667 L CB -0.447 41.647 42.059 0.058 0.000 1.118 667 L HN 0.866 nan 8.230 nan 0.000 0.471 668 G N -0.401 108.444 108.800 0.076 0.000 2.148 668 G HA2 -0.348 3.612 3.960 0.001 0.000 0.254 668 G HA3 -0.348 3.612 3.960 0.001 0.000 0.254 668 G C 0.914 175.877 174.900 0.104 0.000 0.981 668 G CA 0.851 45.979 45.100 0.046 0.000 0.670 668 G HN 0.839 nan 8.290 nan 0.000 0.528 669 T N -1.303 113.399 114.554 0.247 0.000 3.007 669 T HA 0.039 4.390 4.350 0.001 0.000 0.270 669 T C 2.567 177.488 174.700 0.369 0.000 1.107 669 T CA 1.963 64.332 62.100 0.448 0.000 1.118 669 T CB -0.338 68.880 68.868 0.583 0.000 0.889 669 T HN 1.347 nan 8.240 nan 0.000 0.506 670 S N 0.989 116.820 115.700 0.218 0.000 2.481 670 S HA -0.083 4.387 4.470 0.001 0.000 0.231 670 S C 2.045 176.751 174.600 0.176 0.000 0.996 670 S CA 0.093 58.434 58.200 0.234 0.000 0.942 670 S CB -0.482 62.852 63.200 0.223 0.000 0.768 670 S HN 0.373 nan 8.310 nan 0.000 0.520 671 Q N 0.593 120.358 119.800 -0.057 0.000 2.248 671 Q HA -0.045 4.295 4.340 0.001 0.000 0.208 671 Q C 0.961 176.633 176.000 -0.546 0.000 0.984 671 Q CA 1.315 56.950 55.803 -0.280 0.000 0.875 671 Q CB -0.523 27.768 28.738 -0.745 0.000 0.910 671 Q HN 0.853 nan 8.270 nan 0.000 0.433 672 F N -0.508 119.343 119.950 -0.165 0.000 2.678 672 F HA 0.174 4.701 4.527 0.001 0.000 0.305 672 F C 1.804 177.414 175.800 -0.316 0.000 1.090 672 F CA -0.272 57.434 58.000 -0.490 0.000 1.272 672 F CB 0.328 38.544 39.000 -1.307 0.000 1.060 672 F HN 0.016 nan 8.300 nan 0.000 0.576 673 E N 0.736 120.992 120.200 0.094 0.000 2.106 673 E HA -0.119 4.232 4.350 0.001 0.000 0.192 673 E C 0.563 177.214 176.600 0.085 0.000 0.984 673 E CA 0.416 56.945 56.400 0.214 0.000 0.806 673 E CB -0.035 29.813 29.700 0.248 0.000 0.750 673 E HN 0.010 nan 8.360 nan 0.000 0.458 674 K N 0.802 121.169 120.400 -0.055 0.000 3.264 674 K HA -0.279 4.041 4.320 0.001 0.000 0.267 674 K C 0.588 177.173 176.600 -0.025 0.000 0.886 674 K CA 0.574 56.798 56.287 -0.104 0.000 0.665 674 K CB -1.210 31.238 32.500 -0.087 0.000 1.447 674 K HN 0.319 nan 8.250 nan 0.000 0.464 675 R N 0.077 120.583 120.500 0.009 0.000 2.133 675 R HA -0.158 4.183 4.340 0.001 0.000 0.247 675 R C 1.348 177.672 176.300 0.040 0.000 1.151 675 R CA 1.211 57.343 56.100 0.055 0.000 0.971 675 R CB -0.267 30.081 30.300 0.080 0.000 0.866 675 R HN 0.610 nan 8.270 nan 0.000 0.447 676 G N 0.632 109.431 108.800 -0.002 0.000 2.367 676 G HA2 -0.201 3.760 3.960 0.001 0.000 0.295 676 G HA3 -0.201 3.760 3.960 0.001 0.000 0.295 676 G C 0.406 175.322 174.900 0.027 0.000 1.019 676 G CA 0.389 45.490 45.100 0.002 0.000 1.224 676 G HN 0.385 nan 8.290 nan 0.000 0.510 677 V N -2.745 117.181 119.914 0.020 0.000 3.528 677 V HA 0.767 4.888 4.120 0.001 0.000 0.294 677 V C 1.364 177.467 176.094 0.015 0.000 1.404 677 V CA 0.683 63.007 62.300 0.039 0.000 1.065 677 V CB 0.048 31.911 31.823 0.066 0.000 0.904 677 V HN 1.691 nan 8.190 nan 0.000 0.435 678 A N 0.420 123.234 122.820 -0.009 0.000 2.425 678 A HA 0.659 4.979 4.320 0.001 0.000 0.249 678 A C 1.026 178.610 177.584 -0.000 0.000 1.084 678 A CA -0.106 51.922 52.037 -0.016 0.000 0.781 678 A CB 0.360 19.341 19.000 -0.032 0.000 1.019 678 A HN 0.373 nan 8.150 nan 0.000 0.490 679 I N 0.823 121.394 120.570 0.001 0.000 2.339 679 I HA -0.026 4.144 4.170 0.001 0.000 0.245 679 I C 0.388 176.508 176.117 0.006 0.000 1.096 679 I CA 0.659 61.962 61.300 0.006 0.000 1.408 679 I CB -0.088 37.915 38.000 0.005 0.000 1.092 679 I HN 0.570 nan 8.210 nan 0.000 0.423 680 N N 0.444 119.146 118.700 0.003 0.000 2.272 680 N HA 0.526 5.266 4.740 0.001 0.000 0.305 680 N C -1.011 174.502 175.510 0.004 0.000 1.103 680 N CA -0.270 52.783 53.050 0.006 0.000 0.791 680 N CB 3.014 41.506 38.487 0.008 0.000 1.356 680 N HN -0.103 nan 8.380 nan 0.000 0.486 681 V N -1.582 118.338 119.914 0.009 0.000 3.007 681 V HA 0.736 4.856 4.120 0.001 0.000 0.311 681 V C -2.687 173.420 176.094 0.022 0.000 1.120 681 V CA -2.250 60.056 62.300 0.009 0.000 0.980 681 V CB 2.491 34.317 31.823 0.005 0.000 1.033 681 V HN 0.471 nan 8.190 nan 0.000 0.429 682 P HA 0.213 nan 4.420 nan 0.000 0.271 682 P C -1.267 176.071 177.300 0.062 0.000 1.218 682 P CA 0.049 63.176 63.100 0.046 0.000 0.780 682 P CB 0.972 32.701 31.700 0.048 0.000 0.901 683 Q N 2.337 122.188 119.800 0.083 0.000 2.310 683 Q HA 0.258 4.599 4.340 0.001 0.000 0.270 683 Q C -1.467 174.638 176.000 0.175 0.000 1.025 683 Q CA -0.808 55.058 55.803 0.105 0.000 0.772 683 Q CB 1.092 29.870 28.738 0.066 0.000 1.253 683 Q HN 0.391 nan 8.270 nan 0.000 0.450 684 W N 4.623 125.912 121.300 -0.019 0.000 2.216 684 W HA 0.338 4.999 4.660 0.001 0.000 0.326 684 W C -1.043 175.469 176.519 -0.012 0.000 1.319 684 W CA -0.233 57.102 57.345 -0.017 0.000 1.213 684 W CB 0.854 30.290 29.460 -0.040 0.000 1.171 684 W HN 0.386 nan 8.180 nan 0.000 0.557 685 V N 10.185 129.885 119.914 -0.356 0.000 2.276 685 V HA 0.122 4.242 4.120 0.001 0.000 0.268 685 V C -1.101 174.521 176.094 -0.787 0.000 1.032 685 V CA -1.280 60.770 62.300 -0.417 0.000 0.810 685 V CB 1.007 32.714 31.823 -0.194 0.000 1.060 685 V HN 0.527 nan 8.190 nan 0.000 0.446 686 P HA -0.214 nan 4.420 nan 0.000 0.217 686 P C 1.087 178.079 177.300 -0.515 0.000 1.151 686 P CA 1.501 63.835 63.100 -1.277 0.000 0.849 686 P CB 0.553 31.542 31.700 -1.185 0.000 0.787 687 E N 0.052 120.049 120.200 -0.338 0.000 2.267 687 E HA -0.163 4.187 4.350 0.001 0.000 0.197 687 E C 1.484 178.005 176.600 -0.132 0.000 0.998 687 E CA 1.310 57.603 56.400 -0.178 0.000 0.830 687 E CB -1.022 28.599 29.700 -0.132 0.000 0.751 687 E HN 0.544 nan 8.360 nan 0.000 0.491 688 N N -0.883 117.722 118.700 -0.158 0.000 2.254 688 N HA 0.073 4.813 4.740 0.001 0.000 0.190 688 N C -0.354 175.135 175.510 -0.034 0.000 1.107 688 N CA -0.305 52.695 53.050 -0.083 0.000 0.869 688 N CB 0.458 38.901 38.487 -0.073 0.000 0.983 688 N HN 0.047 nan 8.380 nan 0.000 0.487 689 C N 1.955 121.234 119.300 -0.034 0.000 2.632 689 C HA 0.220 4.680 4.460 0.001 0.000 0.415 689 C C 1.780 176.841 174.990 0.117 0.000 1.332 689 C CA -0.691 58.409 59.018 0.136 0.000 1.874 689 C CB -1.005 26.966 27.740 0.385 0.000 2.596 689 C HN 0.489 nan 8.230 nan 0.000 0.590 690 I N 2.153 122.778 120.570 0.093 0.000 3.875 690 I HA 0.194 4.365 4.170 0.001 0.000 0.329 690 I C 0.802 176.892 176.117 -0.045 0.000 1.295 690 I CA 0.101 61.413 61.300 0.020 0.000 1.129 690 I CB -0.662 37.338 38.000 0.001 0.000 1.008 690 I HN 0.858 nan 8.210 nan 0.000 0.413 691 Q N 0.849 120.639 119.800 -0.016 0.000 2.451 691 Q HA -0.230 4.111 4.340 0.001 0.000 0.305 691 Q C 1.274 177.092 176.000 -0.304 0.000 1.345 691 Q CA 0.621 56.194 55.803 -0.383 0.000 0.854 691 Q CB -2.341 25.854 28.738 -0.906 0.000 1.162 691 Q HN 0.938 nan 8.270 nan 0.000 0.440 692 C N -2.906 116.343 119.300 -0.085 0.000 2.563 692 C HA 0.185 4.645 4.460 0.001 0.000 0.268 692 C C 1.139 176.081 174.990 -0.079 0.000 1.365 692 C CA 0.582 59.547 59.018 -0.088 0.000 1.754 692 C CB -0.600 27.107 27.740 -0.056 0.000 1.932 692 C HN 0.852 nan 8.230 nan 0.000 0.536 693 N N 0.079 118.781 118.700 0.004 0.000 2.828 693 N HA -0.251 4.490 4.740 0.001 0.000 0.248 693 N C 0.839 176.354 175.510 0.008 0.000 1.044 693 N CA 1.027 54.078 53.050 0.002 0.000 0.851 693 N CB -1.105 37.299 38.487 -0.139 0.000 1.136 693 N HN 0.733 nan 8.380 nan 0.000 0.572 694 Q N -0.177 119.617 119.800 -0.009 0.000 2.167 694 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 694 Q C 2.555 178.589 176.000 0.056 0.000 0.970 694 Q CA 1.788 57.581 55.803 -0.017 0.000 0.855 694 Q CB -0.038 28.663 28.738 -0.062 0.000 0.911 694 Q HN 0.809 nan 8.270 nan 0.000 0.438 695 C N -0.255 119.076 119.300 0.051 0.000 2.436 695 C HA -0.008 4.452 4.460 0.001 0.000 0.277 695 C C 2.775 177.792 174.990 0.046 0.000 1.241 695 C CA 0.466 59.513 59.018 0.048 0.000 1.721 695 C CB -1.400 26.365 27.740 0.042 0.000 2.043 695 C HN 0.476 nan 8.230 nan 0.000 0.472 696 A N 0.484 123.325 122.820 0.034 0.000 1.883 696 A HA -0.137 4.183 4.320 0.001 0.000 0.217 696 A C 2.068 179.677 177.584 0.041 0.000 1.186 696 A CA 1.835 53.879 52.037 0.012 0.000 0.624 696 A CB -1.245 17.744 19.000 -0.019 0.000 0.822 696 A HN 0.651 nan 8.150 nan 0.000 0.444 697 F N -0.147 119.759 119.950 -0.073 0.000 2.250 697 F HA -0.133 4.395 4.527 0.001 0.000 0.301 697 F C 2.009 177.760 175.800 -0.081 0.000 1.077 697 F CA 1.663 59.623 58.000 -0.066 0.000 1.348 697 F CB 0.192 39.162 39.000 -0.050 0.000 1.040 697 F HN 0.058 nan 8.300 nan 0.000 0.509 698 V N -1.024 118.988 119.914 0.164 0.000 3.506 698 V HA -0.021 4.099 4.120 0.001 0.000 0.263 698 V C 0.819 176.893 176.094 -0.034 0.000 1.203 698 V CA 0.174 62.509 62.300 0.058 0.000 1.133 698 V CB -0.166 31.696 31.823 0.065 0.000 0.802 698 V HN 0.353 nan 8.190 nan 0.000 0.459 699 C N 2.753 122.033 119.300 -0.033 0.000 2.651 699 C HA 0.164 4.624 4.460 0.001 0.000 0.410 699 C C -0.514 174.424 174.990 -0.086 0.000 1.372 699 C CA -0.873 58.126 59.018 -0.031 0.000 1.707 699 C CB 0.385 28.123 27.740 -0.005 0.000 2.501 699 C HN 0.345 nan 8.230 nan 0.000 0.598 700 P HA 0.024 nan 4.420 nan 0.000 0.237 700 P C -0.029 176.996 177.300 -0.459 0.000 1.178 700 P CA 1.330 64.300 63.100 -0.218 0.000 0.766 700 P CB 0.051 31.691 31.700 -0.100 0.000 0.876 701 H N -3.688 115.309 119.070 -0.122 0.000 3.230 701 H HA 0.295 4.851 4.556 0.000 0.000 0.259 701 H C 0.489 175.809 175.328 -0.014 0.000 1.195 701 H CA -0.139 55.870 56.048 -0.066 0.000 1.112 701 H CB 0.057 29.836 29.762 0.028 0.000 1.638 701 H HN -0.221 nan 8.280 nan 0.000 0.624 702 S N 0.137 115.837 115.700 -0.001 0.000 3.635 702 S HA -0.248 4.222 4.470 0.001 0.000 0.328 702 S C 1.339 176.036 174.600 0.161 0.000 1.135 702 S CA 0.491 58.674 58.200 -0.029 0.000 0.942 702 S CB -1.428 61.628 63.200 -0.240 0.000 0.930 702 S HN 0.695 nan 8.310 nan 0.000 0.512 703 A N -0.065 122.858 122.820 0.171 0.000 2.251 703 A HA 0.464 4.785 4.320 0.001 0.000 0.209 703 A C 0.630 178.250 177.584 0.060 0.000 1.187 703 A CA 0.334 52.462 52.037 0.152 0.000 0.823 703 A CB 0.032 19.085 19.000 0.090 0.000 0.846 703 A HN 0.665 nan 8.150 nan 0.000 0.486 704 I N 0.485 121.071 120.570 0.027 0.000 2.406 704 I HA 0.356 4.527 4.170 0.001 0.000 0.290 704 I C -1.103 174.987 176.117 -0.045 0.000 0.999 704 I CA -0.832 60.450 61.300 -0.030 0.000 1.124 704 I CB 1.985 39.959 38.000 -0.042 0.000 1.289 704 I HN 0.096 nan 8.210 nan 0.000 0.441 705 L N 9.801 130.976 121.223 -0.080 0.000 2.345 705 L HA 0.626 4.967 4.340 0.001 0.000 0.274 705 L C -2.674 174.108 176.870 -0.147 0.000 0.999 705 L CA -1.774 53.022 54.840 -0.074 0.000 0.849 705 L CB 1.263 43.306 42.059 -0.027 0.000 1.220 705 L HN 0.218 nan 8.230 nan 0.000 0.422 706 P HA 0.222 nan 4.420 nan 0.000 0.276 706 P C -1.174 176.078 177.300 -0.080 0.000 1.235 706 P CA -0.082 62.921 63.100 -0.163 0.000 0.772 706 P CB 1.182 32.894 31.700 0.021 0.000 0.871 707 V N 5.247 125.011 119.914 -0.250 0.000 2.448 707 V HA 0.408 4.528 4.120 0.001 0.000 0.295 707 V C -0.271 175.768 176.094 -0.092 0.000 1.025 707 V CA -0.497 61.738 62.300 -0.108 0.000 0.859 707 V CB 1.618 33.413 31.823 -0.048 0.000 0.988 707 V HN 0.335 nan 8.190 nan 0.000 0.431 708 L N 5.069 126.253 121.223 -0.066 0.000 2.415 708 L HA 0.905 5.245 4.340 0.001 0.000 0.268 708 L C -0.161 176.700 176.870 -0.016 0.000 0.984 708 L CA -0.006 54.768 54.840 -0.111 0.000 0.853 708 L CB 1.198 42.927 42.059 -0.550 0.000 1.215 708 L HN 0.788 nan 8.230 nan 0.000 0.419 709 A N 4.425 127.341 122.820 0.160 0.000 2.454 709 A HA 0.770 5.090 4.320 0.001 0.000 0.302 709 A C -0.973 176.779 177.584 0.279 0.000 1.079 709 A CA -0.856 51.309 52.037 0.214 0.000 0.731 709 A CB 1.296 20.388 19.000 0.154 0.000 1.299 709 A HN 0.596 nan 8.150 nan 0.000 0.413 710 K N 1.073 121.588 120.400 0.193 0.000 2.258 710 K HA 0.175 4.496 4.320 0.001 0.000 0.264 710 K C 0.836 177.471 176.600 0.058 0.000 1.007 710 K CA 0.226 56.531 56.287 0.030 0.000 0.941 710 K CB 0.946 33.423 32.500 -0.039 0.000 0.966 710 K HN 0.846 nan 8.250 nan 0.000 0.480 711 E N 1.704 121.923 120.200 0.031 0.000 2.273 711 E HA -0.254 4.096 4.350 0.001 0.000 0.198 711 E C 0.685 177.315 176.600 0.049 0.000 1.002 711 E CA 1.135 57.568 56.400 0.054 0.000 0.828 711 E CB -0.011 29.710 29.700 0.036 0.000 0.747 711 E HN 0.452 nan 8.360 nan 0.000 0.491 712 E N 1.348 121.564 120.200 0.028 0.000 2.204 712 E HA -0.165 4.185 4.350 0.001 0.000 0.195 712 E C 1.708 178.332 176.600 0.039 0.000 0.990 712 E CA 1.137 57.552 56.400 0.025 0.000 0.821 712 E CB -0.096 29.608 29.700 0.007 0.000 0.750 712 E HN 0.618 nan 8.360 nan 0.000 0.477 713 E N 0.051 120.282 120.200 0.052 0.000 2.299 713 E HA -0.038 4.313 4.350 0.001 0.000 0.193 713 E C 1.001 177.667 176.600 0.110 0.000 0.998 713 E CA 0.130 56.561 56.400 0.053 0.000 0.851 713 E CB 0.160 29.881 29.700 0.035 0.000 0.795 713 E HN 0.052 nan 8.360 nan 0.000 0.492 714 L N 0.643 121.945 121.223 0.131 0.000 2.611 714 L HA 0.009 4.350 4.340 0.001 0.000 0.229 714 L C 1.710 178.632 176.870 0.087 0.000 1.137 714 L CA 0.440 55.378 54.840 0.163 0.000 0.901 714 L CB -0.190 41.981 42.059 0.186 0.000 1.098 714 L HN -0.022 nan 8.230 nan 0.000 0.456 715 V N 0.433 120.392 119.914 0.075 0.000 2.231 715 V HA -0.251 3.869 4.120 0.001 0.000 0.248 715 V C 2.240 178.334 176.094 -0.001 0.000 1.054 715 V CA 2.232 64.553 62.300 0.036 0.000 1.015 715 V CB -1.074 30.769 31.823 0.035 0.000 0.638 715 V HN 0.566 nan 8.190 nan 0.000 0.444 716 G N -0.725 108.085 108.800 0.017 0.000 3.026 716 G HA2 0.320 4.280 3.960 0.001 0.000 0.208 716 G HA3 0.320 4.280 3.960 0.001 0.000 0.208 716 G C 0.597 175.315 174.900 -0.304 0.000 1.169 716 G CA 0.450 45.518 45.100 -0.053 0.000 0.788 716 G HN 0.658 nan 8.290 nan 0.000 0.533 717 A N 1.042 123.579 122.820 -0.471 0.000 2.561 717 A HA 0.458 4.779 4.320 0.001 0.000 0.234 717 A C -1.537 175.699 177.584 -0.579 0.000 1.055 717 A CA -0.645 50.758 52.037 -1.056 0.000 0.756 717 A CB 0.072 18.708 19.000 -0.608 0.000 0.986 717 A HN 0.233 nan 8.150 nan 0.000 0.505 718 P HA 0.084 nan 4.420 nan 0.000 0.271 718 P C 1.064 178.327 177.300 -0.060 0.000 1.228 718 P CA 0.722 63.694 63.100 -0.213 0.000 0.797 718 P CB 0.447 32.083 31.700 -0.107 0.000 0.914 719 A N 2.041 124.849 122.820 -0.020 0.000 1.902 719 A HA -0.208 4.112 4.320 0.001 0.000 0.217 719 A C 1.477 179.092 177.584 0.052 0.000 1.181 719 A CA 2.055 54.099 52.037 0.012 0.000 0.623 719 A CB -1.427 17.577 19.000 0.007 0.000 0.818 719 A HN 0.819 nan 8.150 nan 0.000 0.443 720 N N -2.209 116.534 118.700 0.072 0.000 2.314 720 N HA 0.093 4.833 4.740 0.001 0.000 0.200 720 N C 0.192 175.777 175.510 0.126 0.000 1.135 720 N CA -0.303 52.797 53.050 0.083 0.000 0.835 720 N CB -0.094 38.431 38.487 0.063 0.000 0.989 720 N HN 0.280 nan 8.380 nan 0.000 0.478 721 F N 3.140 123.092 119.950 0.003 0.000 2.665 721 F HA 0.098 4.626 4.527 0.001 0.000 0.360 721 F C 0.189 176.040 175.800 0.084 0.000 1.168 721 F CA -0.072 57.946 58.000 0.030 0.000 1.366 721 F CB -0.962 38.015 39.000 -0.039 0.000 1.592 721 F HN -0.094 nan 8.300 nan 0.000 0.610 722 T N 2.322 116.905 114.554 0.049 0.000 2.905 722 T HA 0.357 4.707 4.350 0.001 0.000 0.299 722 T C 0.249 175.030 174.700 0.134 0.000 1.024 722 T CA 0.404 62.557 62.100 0.089 0.000 1.151 722 T CB 0.404 69.313 68.868 0.068 0.000 0.987 722 T HN 0.497 nan 8.240 nan 0.000 0.535 723 A N 3.608 126.533 122.820 0.175 0.000 2.454 723 A HA 0.799 5.119 4.320 0.001 0.000 0.302 723 A C -0.672 177.057 177.584 0.243 0.000 1.079 723 A CA -0.871 51.306 52.037 0.234 0.000 0.731 723 A CB 1.159 20.286 19.000 0.211 0.000 1.299 723 A HN 0.758 nan 8.150 nan 0.000 0.413 724 L N 0.446 121.869 121.223 0.333 0.000 2.365 724 L HA 0.466 4.806 4.340 0.001 0.000 0.267 724 L C 0.310 177.336 176.870 0.260 0.000 1.033 724 L CA -0.710 54.293 54.840 0.272 0.000 0.802 724 L CB 1.165 43.422 42.059 0.331 0.000 1.267 724 L HN 0.728 nan 8.230 nan 0.000 0.457 725 E N 0.955 121.267 120.200 0.187 0.000 2.259 725 E HA 0.300 4.650 4.350 0.001 0.000 0.281 725 E C -0.414 176.293 176.600 0.178 0.000 1.037 725 E CA -0.571 55.928 56.400 0.165 0.000 0.854 725 E CB 1.330 31.095 29.700 0.108 0.000 1.051 725 E HN 0.590 nan 8.360 nan 0.000 0.409 726 A N 4.555 127.502 122.820 0.211 0.000 2.537 726 A HA -0.020 4.300 4.320 0.001 0.000 0.260 726 A C 0.167 177.807 177.584 0.092 0.000 1.082 726 A CA 0.331 52.475 52.037 0.178 0.000 0.765 726 A CB -0.032 19.113 19.000 0.242 0.000 1.019 726 A HN 0.525 nan 8.150 nan 0.000 0.507 727 K N 1.404 121.814 120.400 0.017 0.000 2.218 727 K HA 0.527 4.847 4.320 0.001 0.000 0.276 727 K C 0.458 177.062 176.600 0.006 0.000 1.022 727 K CA 1.005 57.294 56.287 0.003 0.000 0.946 727 K CB 0.909 33.388 32.500 -0.035 0.000 1.000 727 K HN 1.415 nan 8.250 nan 0.000 0.468 728 G N 1.845 110.658 108.800 0.022 0.000 2.627 728 G HA2 -0.134 3.826 3.960 0.001 0.000 0.680 728 G HA3 -0.134 3.826 3.960 0.001 0.000 0.680 728 G C 0.091 175.020 174.900 0.048 0.000 1.341 728 G CA -0.623 44.494 45.100 0.029 0.000 0.835 728 G HN 0.515 nan 8.290 nan 0.000 0.643 729 K N 0.759 121.184 120.400 0.041 0.000 2.009 729 K HA -0.122 4.198 4.320 0.001 0.000 0.210 729 K C 2.063 178.701 176.600 0.063 0.000 1.049 729 K CA 2.607 58.921 56.287 0.045 0.000 0.929 729 K CB -0.177 32.343 32.500 0.034 0.000 0.714 729 K HN 0.612 nan 8.250 nan 0.000 0.440 730 E N 0.658 120.899 120.200 0.068 0.000 2.208 730 E HA -0.030 4.320 4.350 0.001 0.000 0.193 730 E C 1.521 178.205 176.600 0.141 0.000 0.988 730 E CA 0.679 57.131 56.400 0.086 0.000 0.828 730 E CB -0.040 29.700 29.700 0.066 0.000 0.763 730 E HN 0.312 nan 8.360 nan 0.000 0.478 731 L N 0.704 122.009 121.223 0.138 0.000 2.688 731 L HA 0.208 4.549 4.340 0.001 0.000 0.234 731 L C 1.783 178.828 176.870 0.292 0.000 1.192 731 L CA -0.167 54.811 54.840 0.230 0.000 0.984 731 L CB -0.176 41.944 42.059 0.101 0.000 1.232 731 L HN 0.052 nan 8.230 nan 0.000 0.465 732 K N 1.736 122.243 120.400 0.179 0.000 2.023 732 K HA -0.239 4.082 4.320 0.001 0.000 0.227 732 K C 1.670 178.314 176.600 0.073 0.000 1.054 732 K CA 2.129 58.477 56.287 0.101 0.000 0.977 732 K CB -0.292 32.241 32.500 0.056 0.000 0.733 732 K HN 0.445 nan 8.250 nan 0.000 0.451 733 G N -0.993 107.797 108.800 -0.017 0.000 3.233 733 G HA2 0.065 4.025 3.960 0.001 0.000 0.227 733 G HA3 0.065 4.025 3.960 0.001 0.000 0.227 733 G C -0.333 174.478 174.900 -0.149 0.000 1.175 733 G CA -0.218 44.817 45.100 -0.109 0.000 0.781 733 G HN 0.163 nan 8.290 nan 0.000 0.542 734 Y N 0.098 120.421 120.300 0.038 0.000 2.408 734 Y HA 0.534 5.085 4.550 0.000 0.000 0.324 734 Y C 0.601 176.559 175.900 0.097 0.000 1.302 734 Y CA -0.632 57.498 58.100 0.051 0.000 1.384 734 Y CB 1.060 39.535 38.460 0.025 0.000 1.367 734 Y HN -0.269 nan 8.280 nan 0.000 0.525 735 K N 1.471 122.065 120.400 0.323 0.000 2.292 735 K HA 0.320 4.640 4.320 0.001 0.000 0.257 735 K C -1.634 175.157 176.600 0.318 0.000 0.940 735 K CA -0.613 55.840 56.287 0.276 0.000 0.811 735 K CB 1.850 34.485 32.500 0.225 0.000 1.120 735 K HN 0.535 nan 8.250 nan 0.000 0.428 736 F N 2.339 122.392 119.950 0.172 0.000 2.480 736 F HA 0.531 5.058 4.527 0.000 0.000 0.329 736 F C -0.211 175.674 175.800 0.141 0.000 1.091 736 F CA -0.707 57.386 58.000 0.154 0.000 0.972 736 F CB 1.357 40.468 39.000 0.185 0.000 1.150 736 F HN 0.471 nan 8.300 nan 0.000 0.467 737 R N 6.572 126.567 120.500 -0.841 0.000 2.566 737 R HA 0.449 4.790 4.340 0.001 0.000 0.271 737 R C -2.232 173.233 176.300 -1.392 0.000 1.071 737 R CA -0.723 54.822 56.100 -0.926 0.000 0.915 737 R CB 1.289 31.271 30.300 -0.529 0.000 1.228 737 R HN 0.620 nan 8.270 nan 0.000 0.449 738 I N 4.149 123.508 120.570 -2.020 0.000 2.291 738 I HA 0.180 4.350 4.170 0.001 0.000 0.290 738 I C -0.277 175.238 176.117 -1.003 0.000 1.050 738 I CA -0.271 60.152 61.300 -1.463 0.000 1.245 738 I CB 1.105 38.091 38.000 -1.691 0.000 1.405 738 I HN 0.602 nan 8.210 nan 0.000 0.478 739 Q N 6.390 125.850 119.800 -0.566 0.000 2.368 739 Q HA 0.421 4.761 4.340 0.001 0.000 0.256 739 Q C -0.933 174.961 176.000 -0.177 0.000 0.980 739 Q CA -0.397 55.215 55.803 -0.319 0.000 0.887 739 Q CB 0.878 29.503 28.738 -0.189 0.000 1.221 739 Q HN 0.422 nan 8.270 nan 0.000 0.458 740 I N 3.507 124.006 120.570 -0.118 0.000 2.474 740 I HA 0.130 4.300 4.170 0.001 0.000 0.287 740 I C 0.545 176.647 176.117 -0.025 0.000 1.048 740 I CA 0.263 61.530 61.300 -0.054 0.000 1.383 740 I CB 0.928 38.919 38.000 -0.016 0.000 1.412 740 I HN 0.645 nan 8.210 nan 0.000 0.531 741 N N 3.606 122.296 118.700 -0.017 0.000 2.918 741 N HA 0.045 4.786 4.740 0.001 0.000 0.247 741 N C 1.168 176.650 175.510 -0.046 0.000 1.117 741 N CA 0.009 53.042 53.050 -0.028 0.000 1.005 741 N CB 0.449 38.925 38.487 -0.018 0.000 1.297 741 N HN 0.823 nan 8.380 nan 0.000 0.513 742 T N 0.501 115.036 114.554 -0.032 0.000 2.849 742 T HA -0.163 4.187 4.350 0.001 0.000 0.270 742 T C 1.582 176.252 174.700 -0.050 0.000 1.066 742 T CA 0.874 62.957 62.100 -0.028 0.000 1.130 742 T CB -0.136 68.728 68.868 -0.007 0.000 0.864 742 T HN 0.428 nan 8.240 nan 0.000 0.481 743 L N 0.307 121.483 121.223 -0.078 0.000 2.270 743 L HA 0.128 4.469 4.340 0.001 0.000 0.210 743 L C 2.206 178.988 176.870 -0.147 0.000 1.104 743 L CA 0.937 55.721 54.840 -0.093 0.000 0.804 743 L CB -0.235 41.767 42.059 -0.095 0.000 0.937 743 L HN 0.178 nan 8.230 nan 0.000 0.450 744 D N -0.823 119.442 120.400 -0.225 0.000 2.354 744 D HA -0.002 4.638 4.640 0.001 0.000 0.209 744 D C 0.687 176.912 176.300 -0.124 0.000 1.015 744 D CA 0.149 53.982 54.000 -0.279 0.000 0.867 744 D CB 0.145 40.533 40.800 -0.687 0.000 0.933 744 D HN 0.214 nan 8.370 nan 0.000 0.520 745 C N 1.199 120.442 119.300 -0.094 0.000 2.676 745 C HA 0.076 4.537 4.460 0.001 0.000 0.416 745 C C 1.566 176.477 174.990 -0.133 0.000 1.299 745 C CA -0.176 58.797 59.018 -0.076 0.000 2.048 745 C CB -0.164 27.550 27.740 -0.042 0.000 2.713 745 C HN 0.182 nan 8.230 nan 0.000 0.624 746 M N 3.943 123.429 119.600 -0.190 0.000 2.333 746 M HA 0.207 4.687 4.480 0.001 0.000 0.257 746 M C 1.657 177.895 176.300 -0.103 0.000 1.078 746 M CA 0.974 56.143 55.300 -0.218 0.000 1.005 746 M CB -0.823 31.500 32.600 -0.462 0.000 1.444 746 M HN 1.178 nan 8.290 nan 0.000 0.496 747 G N 1.329 110.092 108.800 -0.063 0.000 2.198 747 G HA2 -0.327 3.634 3.960 0.001 0.000 0.260 747 G HA3 -0.327 3.634 3.960 0.001 0.000 0.260 747 G C 1.025 175.916 174.900 -0.016 0.000 1.025 747 G CA 0.552 45.636 45.100 -0.028 0.000 0.769 747 G HN 0.650 nan 8.290 nan 0.000 0.507 748 C N -2.229 117.063 119.300 -0.014 0.000 2.466 748 C HA 0.500 4.960 4.460 0.001 0.000 0.278 748 C C 2.598 177.593 174.990 0.009 0.000 1.288 748 C CA 1.436 60.455 59.018 0.002 0.000 1.722 748 C CB -0.733 27.016 27.740 0.014 0.000 2.017 748 C HN 2.423 nan 8.230 nan 0.000 0.488 749 G N 0.946 109.753 108.800 0.011 0.000 2.159 749 G HA2 -0.272 3.688 3.960 0.001 0.000 0.227 749 G HA3 -0.272 3.688 3.960 0.001 0.000 0.227 749 G C 0.409 175.321 174.900 0.019 0.000 0.986 749 G CA 0.564 45.673 45.100 0.016 0.000 0.651 749 G HN 0.583 nan 8.290 nan 0.000 0.523 750 N N -0.037 118.673 118.700 0.018 0.000 2.120 750 N HA -0.128 4.612 4.740 0.001 0.000 0.188 750 N C 2.674 178.197 175.510 0.022 0.000 1.024 750 N CA 2.433 55.493 53.050 0.017 0.000 0.852 750 N CB -0.465 38.027 38.487 0.009 0.000 1.003 750 N HN 0.933 nan 8.380 nan 0.000 0.424 751 C N -0.008 119.307 119.300 0.025 0.000 2.413 751 C HA 0.071 4.531 4.460 0.001 0.000 0.276 751 C C 2.732 177.746 174.990 0.040 0.000 1.236 751 C CA 0.473 59.511 59.018 0.033 0.000 1.735 751 C CB -1.412 26.348 27.740 0.034 0.000 2.031 751 C HN 0.380 nan 8.230 nan 0.000 0.474 752 A N 1.179 124.023 122.820 0.040 0.000 1.930 752 A HA -0.166 4.154 4.320 0.001 0.000 0.217 752 A C 1.919 179.522 177.584 0.033 0.000 1.175 752 A CA 2.190 54.252 52.037 0.043 0.000 0.627 752 A CB -0.948 18.075 19.000 0.038 0.000 0.815 752 A HN 0.677 nan 8.150 nan 0.000 0.443 753 D N -1.164 119.252 120.400 0.027 0.000 2.219 753 D HA -0.076 4.564 4.640 0.001 0.000 0.205 753 D C 1.407 177.719 176.300 0.020 0.000 0.970 753 D CA 0.865 54.878 54.000 0.022 0.000 0.851 753 D CB -0.048 40.764 40.800 0.021 0.000 0.943 753 D HN 0.294 nan 8.370 nan 0.000 0.488 754 I N 0.060 120.643 120.570 0.021 0.000 3.228 754 I HA 0.099 4.269 4.170 0.001 0.000 0.279 754 I C 0.301 176.427 176.117 0.016 0.000 1.221 754 I CA -0.031 61.278 61.300 0.014 0.000 1.458 754 I CB -0.097 37.910 38.000 0.012 0.000 1.105 754 I HN 0.112 nan 8.210 nan 0.000 0.445 755 C N 3.930 123.249 119.300 0.031 0.000 2.531 755 C HA -0.028 4.432 4.460 0.001 0.000 0.401 755 C C -0.379 174.626 174.990 0.026 0.000 1.473 755 C CA -1.021 58.022 59.018 0.042 0.000 1.472 755 C CB -0.258 27.521 27.740 0.065 0.000 2.429 755 C HN 0.300 nan 8.230 nan 0.000 0.620 756 P HA -0.099 nan 4.420 nan 0.000 0.216 756 P C -1.663 175.640 177.300 0.004 0.000 1.167 756 P CA 1.467 64.568 63.100 0.002 0.000 0.914 756 P CB -1.127 30.570 31.700 -0.006 0.000 0.793 757 P HA -0.020 nan 4.420 nan 0.000 0.266 757 P C 0.620 177.922 177.300 0.004 0.000 1.195 757 P CA 0.403 63.507 63.100 0.006 0.000 0.768 757 P CB 0.950 32.655 31.700 0.008 0.000 0.838 758 K N 0.897 121.296 120.400 -0.001 0.000 2.057 758 K HA -0.095 4.225 4.320 0.001 0.000 0.207 758 K C 0.639 177.238 176.600 -0.002 0.000 1.049 758 K CA 1.090 57.376 56.287 -0.001 0.000 0.931 758 K CB 0.130 32.628 32.500 -0.003 0.000 0.714 758 K HN 0.482 nan 8.250 nan 0.000 0.440 759 E N 2.497 122.693 120.200 -0.006 0.000 1.861 759 E HA 0.029 4.379 4.350 0.001 0.000 0.263 759 E C -0.673 175.922 176.600 -0.008 0.000 1.137 759 E CA -0.030 56.364 56.400 -0.011 0.000 0.944 759 E CB 0.625 30.313 29.700 -0.019 0.000 1.092 759 E HN 0.056 nan 8.360 nan 0.000 0.420 760 K N 0.676 121.076 120.400 0.001 0.000 2.586 760 K HA -0.068 4.252 4.320 0.001 0.000 0.280 760 K C 0.763 177.367 176.600 0.007 0.000 0.972 760 K CA 0.192 56.487 56.287 0.013 0.000 1.040 760 K CB 0.541 33.053 32.500 0.020 0.000 0.870 760 K HN 0.411 nan 8.250 nan 0.000 0.497 761 A N 3.442 126.285 122.820 0.039 0.000 2.348 761 A HA 0.225 4.546 4.320 0.001 0.000 0.224 761 A C 0.277 177.937 177.584 0.127 0.000 1.227 761 A CA 0.053 52.112 52.037 0.035 0.000 0.885 761 A CB 0.255 19.321 19.000 0.109 0.000 0.933 761 A HN 0.514 nan 8.150 nan 0.000 0.506 762 L N 0.524 121.815 121.223 0.112 0.000 2.476 762 L HA 0.514 4.854 4.340 0.001 0.000 0.269 762 L C -1.541 175.371 176.870 0.070 0.000 0.965 762 L CA -0.615 54.301 54.840 0.126 0.000 0.845 762 L CB 2.433 44.573 42.059 0.135 0.000 1.259 762 L HN -0.088 nan 8.230 nan 0.000 0.403 763 V N 3.610 123.559 119.914 0.059 0.000 2.709 763 V HA 0.476 4.596 4.120 0.001 0.000 0.308 763 V C 0.062 176.178 176.094 0.037 0.000 1.062 763 V CA -0.701 61.622 62.300 0.037 0.000 0.901 763 V CB 2.285 34.122 31.823 0.023 0.000 1.003 763 V HN 0.620 nan 8.190 nan 0.000 0.425 764 M N 4.470 124.087 119.600 0.028 0.000 2.217 764 M HA 0.456 4.937 4.480 0.001 0.000 0.354 764 M C -0.311 176.002 176.300 0.021 0.000 1.225 764 M CA 0.252 55.566 55.300 0.024 0.000 1.137 764 M CB 0.624 33.236 32.600 0.019 0.000 1.576 764 M HN 0.618 nan 8.290 nan 0.000 0.461 765 Q N 2.288 122.100 119.800 0.021 0.000 2.416 765 Q HA 0.554 4.894 4.340 0.001 0.000 0.281 765 Q C -2.567 173.443 176.000 0.017 0.000 1.067 765 Q CA -1.981 53.834 55.803 0.019 0.000 0.809 765 Q CB 1.473 30.224 28.738 0.022 0.000 1.418 765 Q HN 0.324 nan 8.270 nan 0.000 0.411 766 P HA -0.060 nan 4.420 nan 0.000 0.264 766 P C 0.873 178.184 177.300 0.018 0.000 1.193 766 P CA -0.049 63.060 63.100 0.015 0.000 0.763 766 P CB 0.456 32.166 31.700 0.016 0.000 0.810 767 L N 5.290 126.523 121.223 0.017 0.000 1.997 767 L HA -0.279 4.061 4.340 0.001 0.000 0.216 767 L C 1.501 178.385 176.870 0.024 0.000 1.074 767 L CA 2.561 57.411 54.840 0.018 0.000 0.763 767 L CB -1.494 40.574 42.059 0.015 0.000 0.890 767 L HN 0.421 nan 8.230 nan 0.000 0.434 768 D N -2.169 118.248 120.400 0.028 0.000 2.265 768 D HA -0.222 4.418 4.640 0.001 0.000 0.208 768 D C 1.786 178.106 176.300 0.033 0.000 0.977 768 D CA 1.406 55.427 54.000 0.035 0.000 0.871 768 D CB -0.883 39.942 40.800 0.042 0.000 0.925 768 D HN 0.603 nan 8.370 nan 0.000 0.485 769 T N -4.204 110.367 114.554 0.029 0.000 3.100 769 T HA 0.025 4.376 4.350 0.001 0.000 0.253 769 T C 1.556 176.274 174.700 0.028 0.000 1.118 769 T CA 0.222 62.338 62.100 0.028 0.000 1.058 769 T CB 0.178 69.060 68.868 0.024 0.000 0.953 769 T HN 0.030 nan 8.240 nan 0.000 0.515 770 Q N 1.004 120.821 119.800 0.029 0.000 2.471 770 Q HA 0.203 4.543 4.340 0.001 0.000 0.241 770 Q C 2.573 178.591 176.000 0.030 0.000 0.886 770 Q CA 0.569 56.391 55.803 0.030 0.000 0.953 770 Q CB -0.108 28.648 28.738 0.029 0.000 1.108 770 Q HN 0.728 nan 8.270 nan 0.000 0.575 771 R N 1.355 121.871 120.500 0.027 0.000 2.112 771 R HA -0.191 4.150 4.340 0.001 0.000 0.242 771 R C 1.160 177.478 176.300 0.030 0.000 1.137 771 R CA 1.952 58.068 56.100 0.026 0.000 0.944 771 R CB -0.716 29.599 30.300 0.025 0.000 0.857 771 R HN -0.013 nan 8.270 nan 0.000 0.435 772 D N 1.083 121.502 120.400 0.031 0.000 2.133 772 D HA -0.192 4.449 4.640 0.001 0.000 0.192 772 D C 1.964 178.285 176.300 0.035 0.000 1.001 772 D CA 2.191 56.210 54.000 0.031 0.000 0.844 772 D CB -0.309 40.509 40.800 0.030 0.000 0.944 772 D HN 0.518 nan 8.370 nan 0.000 0.447 773 A N 0.434 123.278 122.820 0.039 0.000 1.850 773 A HA -0.113 4.208 4.320 0.001 0.000 0.212 773 A C 2.059 179.679 177.584 0.061 0.000 1.208 773 A CA 0.930 52.996 52.037 0.048 0.000 0.609 773 A CB -0.394 18.634 19.000 0.047 0.000 0.860 773 A HN 0.017 nan 8.150 nan 0.000 0.448 774 Q N 0.094 119.927 119.800 0.054 0.000 2.226 774 Q HA -0.076 4.264 4.340 0.001 0.000 0.204 774 Q C 2.204 178.241 176.000 0.061 0.000 0.975 774 Q CA 1.267 57.105 55.803 0.059 0.000 0.866 774 Q CB -1.045 27.717 28.738 0.040 0.000 0.915 774 Q HN 0.437 nan 8.270 nan 0.000 0.440 775 V N 1.541 121.482 119.914 0.046 0.000 2.261 775 V HA -0.205 3.915 4.120 0.001 0.000 0.246 775 V C -0.701 175.429 176.094 0.060 0.000 1.047 775 V CA 2.078 64.400 62.300 0.038 0.000 1.015 775 V CB -1.480 30.357 31.823 0.024 0.000 0.642 775 V HN 0.230 nan 8.190 nan 0.000 0.446 776 P HA -0.100 nan 4.420 nan 0.000 0.218 776 P C 1.229 178.609 177.300 0.133 0.000 1.149 776 P CA 1.506 64.652 63.100 0.078 0.000 0.817 776 P CB -0.157 31.576 31.700 0.055 0.000 0.785 777 N N -0.780 118.027 118.700 0.178 0.000 2.142 777 N HA -0.095 4.646 4.740 0.001 0.000 0.186 777 N C 1.693 177.415 175.510 0.354 0.000 1.023 777 N CA 0.326 53.583 53.050 0.344 0.000 0.852 777 N CB -0.512 38.179 38.487 0.339 0.000 0.998 777 N HN 0.031 nan 8.380 nan 0.000 0.424 778 L N 1.866 123.205 121.223 0.192 0.000 2.046 778 L HA -0.154 4.186 4.340 0.001 0.000 0.208 778 L C 1.963 178.907 176.870 0.124 0.000 1.077 778 L CA 1.855 56.776 54.840 0.135 0.000 0.747 778 L CB -0.588 41.504 42.059 0.056 0.000 0.896 778 L HN 0.128 nan 8.230 nan 0.000 0.432 779 E N -0.614 119.652 120.200 0.110 0.000 2.049 779 E HA -0.311 4.039 4.350 0.001 0.000 0.198 779 E C 2.054 178.707 176.600 0.088 0.000 1.007 779 E CA 2.102 58.552 56.400 0.083 0.000 0.809 779 E CB -0.542 29.206 29.700 0.079 0.000 0.749 779 E HN 0.566 nan 8.360 nan 0.000 0.450 780 Y N 0.270 120.560 120.300 -0.017 0.000 2.114 780 Y HA -0.199 4.351 4.550 0.000 0.000 0.284 780 Y C 2.071 177.913 175.900 -0.096 0.000 1.143 780 Y CA 1.865 59.897 58.100 -0.114 0.000 1.135 780 Y CB -0.762 37.534 38.460 -0.274 0.000 0.980 780 Y HN 0.098 nan 8.280 nan 0.000 0.499 781 A N 0.557 123.450 122.820 0.121 0.000 1.986 781 A HA -0.208 4.112 4.320 0.001 0.000 0.220 781 A C 2.354 179.932 177.584 -0.010 0.000 1.171 781 A CA 1.992 54.119 52.037 0.151 0.000 0.640 781 A CB -1.514 17.703 19.000 0.362 0.000 0.811 781 A HN 0.639 nan 8.150 nan 0.000 0.451 782 A N -0.506 122.308 122.820 -0.010 0.000 2.067 782 A HA -0.080 4.240 4.320 0.001 0.000 0.219 782 A C 2.092 179.631 177.584 -0.076 0.000 1.158 782 A CA 1.311 53.335 52.037 -0.022 0.000 0.661 782 A CB -0.316 18.689 19.000 0.007 0.000 0.801 782 A HN 0.579 nan 8.150 nan 0.000 0.452 783 R N -0.600 119.803 120.500 -0.161 0.000 2.300 783 R HA 0.218 4.558 4.340 0.001 0.000 0.199 783 R C -0.250 175.920 176.300 -0.218 0.000 0.920 783 R CA -0.127 55.861 56.100 -0.186 0.000 1.046 783 R CB 0.164 30.323 30.300 -0.235 0.000 0.984 783 R HN 0.310 nan 8.270 nan 0.000 0.493 784 I N 3.145 123.574 120.570 -0.234 0.000 2.471 784 I HA 0.136 4.306 4.170 0.001 0.000 0.286 784 I C -2.041 174.020 176.117 -0.093 0.000 1.079 784 I CA -2.899 58.293 61.300 -0.179 0.000 1.398 784 I CB 0.314 38.234 38.000 -0.132 0.000 1.403 784 I HN -0.256 nan 8.210 nan 0.000 0.530 785 P HA 0.024 nan 4.420 nan 0.000 0.264 785 P C -0.327 176.945 177.300 -0.045 0.000 1.193 785 P CA -0.104 62.967 63.100 -0.048 0.000 0.763 785 P CB 0.393 32.072 31.700 -0.035 0.000 0.810 786 V N 5.496 125.389 119.914 -0.035 0.000 2.521 786 V HA 0.026 4.146 4.120 0.001 0.000 0.286 786 V C 1.009 177.072 176.094 -0.051 0.000 1.034 786 V CA 0.053 62.337 62.300 -0.027 0.000 1.045 786 V CB 0.165 31.987 31.823 -0.001 0.000 0.974 786 V HN 0.395 nan 8.190 nan 0.000 0.480 787 K N 3.875 124.204 120.400 -0.119 0.000 2.155 787 K HA 0.129 4.449 4.320 0.001 0.000 0.240 787 K C 1.358 177.895 176.600 -0.106 0.000 1.193 787 K CA 0.154 56.333 56.287 -0.180 0.000 1.104 787 K CB 0.216 32.468 32.500 -0.413 0.000 1.558 787 K HN 0.850 nan 8.250 nan 0.000 0.313 788 S N -0.324 115.359 115.700 -0.028 0.000 2.481 788 S HA -0.049 4.421 4.470 0.001 0.000 0.231 788 S C 1.111 175.718 174.600 0.011 0.000 0.996 788 S CA 0.514 58.724 58.200 0.015 0.000 0.942 788 S CB 0.121 63.327 63.200 0.011 0.000 0.768 788 S HN 0.335 nan 8.310 nan 0.000 0.520 789 E N 0.383 120.576 120.200 -0.012 0.000 2.481 789 E HA 0.292 4.642 4.350 0.001 0.000 0.198 789 E C 1.541 178.138 176.600 -0.004 0.000 1.027 789 E CA -0.024 56.376 56.400 -0.001 0.000 0.900 789 E CB 0.317 30.019 29.700 0.003 0.000 0.993 789 E HN 0.337 nan 8.360 nan 0.000 0.482 790 V N -0.151 119.737 119.914 -0.043 0.000 2.719 790 V HA 0.097 4.217 4.120 0.001 0.000 0.252 790 V C 0.409 176.508 176.094 0.009 0.000 1.065 790 V CA 1.073 63.340 62.300 -0.056 0.000 1.086 790 V CB 0.123 31.805 31.823 -0.237 0.000 0.700 790 V HN 0.084 nan 8.190 nan 0.000 0.467 791 L N -0.778 120.480 121.223 0.058 0.000 2.359 791 L HA 0.498 4.839 4.340 0.001 0.000 0.256 791 L C -2.564 174.348 176.870 0.071 0.000 1.026 791 L CA -2.056 52.838 54.840 0.090 0.000 0.828 791 L CB 2.069 44.233 42.059 0.174 0.000 1.406 791 L HN -0.111 nan 8.230 nan 0.000 0.413 792 P HA 0.101 nan 4.420 nan 0.000 0.263 792 P C 0.131 177.447 177.300 0.027 0.000 1.195 792 P CA 0.005 63.126 63.100 0.035 0.000 0.762 792 P CB 0.636 32.353 31.700 0.029 0.000 0.799 793 R N 3.291 123.796 120.500 0.009 0.000 2.117 793 R HA -0.194 4.146 4.340 0.001 0.000 0.243 793 R C 0.820 177.093 176.300 -0.046 0.000 1.143 793 R CA 2.050 58.138 56.100 -0.021 0.000 0.968 793 R CB -0.174 30.097 30.300 -0.049 0.000 0.863 793 R HN 0.555 nan 8.270 nan 0.000 0.444 794 D N -0.346 120.030 120.400 -0.040 0.000 2.358 794 D HA -0.017 4.623 4.640 0.001 0.000 0.224 794 D C -0.233 176.070 176.300 0.005 0.000 1.123 794 D CA -0.162 53.813 54.000 -0.042 0.000 0.833 794 D CB 0.140 40.912 40.800 -0.046 0.000 0.946 794 D HN 0.126 nan 8.370 nan 0.000 0.505 795 S N -0.675 115.033 115.700 0.014 0.000 2.585 795 S HA 0.262 4.733 4.470 0.001 0.000 0.277 795 S C 1.255 175.866 174.600 0.018 0.000 1.241 795 S CA -0.949 57.259 58.200 0.013 0.000 1.041 795 S CB 1.949 65.156 63.200 0.012 0.000 0.987 795 S HN 0.185 nan 8.310 nan 0.000 0.512 796 L N 1.681 122.893 121.223 -0.019 0.000 1.997 796 L HA -0.177 4.163 4.340 0.001 0.000 0.216 796 L C 2.683 179.517 176.870 -0.060 0.000 1.074 796 L CA 1.964 56.759 54.840 -0.076 0.000 0.763 796 L CB -0.406 41.526 42.059 -0.211 0.000 0.890 796 L HN 0.963 nan 8.230 nan 0.000 0.434 797 K N -0.788 119.549 120.400 -0.105 0.000 2.062 797 K HA -0.114 4.206 4.320 0.001 0.000 0.205 797 K C 1.927 178.361 176.600 -0.277 0.000 1.051 797 K CA 1.203 57.368 56.287 -0.202 0.000 0.941 797 K CB -0.355 32.051 32.500 -0.157 0.000 0.719 797 K HN 0.514 nan 8.250 nan 0.000 0.440 798 G N 0.548 109.302 108.800 -0.075 0.000 2.422 798 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 798 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 798 G C 1.505 176.407 174.900 0.004 0.000 1.146 798 G CA 1.201 46.322 45.100 0.034 0.000 0.769 798 G HN 0.500 nan 8.290 nan 0.000 0.547 799 S N 0.162 115.859 115.700 -0.005 0.000 2.383 799 S HA -0.127 4.344 4.470 0.001 0.000 0.229 799 S C 1.958 176.533 174.600 -0.040 0.000 1.030 799 S CA 1.334 59.532 58.200 -0.004 0.000 1.002 799 S CB -0.229 63.015 63.200 0.073 0.000 0.829 799 S HN 0.298 nan 8.310 nan 0.000 0.467 800 Q N 0.104 119.845 119.800 -0.098 0.000 2.466 800 Q HA 0.301 4.642 4.340 0.001 0.000 0.210 800 Q C 0.331 176.251 176.000 -0.134 0.000 0.961 800 Q CA 0.336 56.050 55.803 -0.147 0.000 0.953 800 Q CB -0.566 28.068 28.738 -0.173 0.000 1.011 800 Q HN 0.798 nan 8.270 nan 0.000 0.516 801 F N 0.157 120.109 119.950 0.003 0.000 2.668 801 F HA 0.179 4.707 4.527 0.001 0.000 0.301 801 F C 0.739 176.516 175.800 -0.038 0.000 1.106 801 F CA -0.572 57.416 58.000 -0.019 0.000 1.289 801 F CB 0.900 39.886 39.000 -0.023 0.000 1.006 801 F HN -0.105 nan 8.300 nan 0.000 0.535 802 Q N 0.788 120.648 119.800 0.100 0.000 2.248 802 Q HA 0.273 4.613 4.340 0.001 0.000 0.263 802 Q C -0.349 175.646 176.000 -0.007 0.000 1.007 802 Q CA -0.517 55.301 55.803 0.025 0.000 0.877 802 Q CB 1.551 30.273 28.738 -0.027 0.000 1.315 802 Q HN 0.308 nan 8.270 nan 0.000 0.454 803 E N 3.191 123.377 120.200 -0.024 0.000 2.180 803 E HA 0.186 4.536 4.350 0.001 0.000 0.283 803 E C -2.091 174.465 176.600 -0.073 0.000 1.061 803 E CA -1.556 54.818 56.400 -0.043 0.000 0.861 803 E CB 0.650 30.328 29.700 -0.036 0.000 1.056 803 E HN 0.174 nan 8.360 nan 0.000 0.407 804 P HA 0.077 nan 4.420 nan 0.000 0.281 804 P C -0.363 176.850 177.300 -0.145 0.000 1.252 804 P CA -0.374 62.642 63.100 -0.140 0.000 0.778 804 P CB 0.927 32.520 31.700 -0.179 0.000 0.895 805 L N 3.645 124.804 121.223 -0.108 0.000 2.928 805 L HA 0.383 4.723 4.340 0.001 0.000 0.246 805 L C 0.457 177.270 176.870 -0.096 0.000 1.239 805 L CA 0.501 55.301 54.840 -0.068 0.000 1.035 805 L CB -0.548 41.523 42.059 0.020 0.000 1.360 805 L HN 0.449 nan 8.230 nan 0.000 0.529 806 M N 0.910 120.356 119.600 -0.257 0.000 2.272 806 M HA 0.362 4.842 4.480 0.001 0.000 0.240 806 M C -1.734 174.283 176.300 -0.472 0.000 0.991 806 M CA 0.119 55.146 55.300 -0.455 0.000 1.008 806 M CB 1.551 33.804 32.600 -0.578 0.000 2.221 806 M HN 0.197 nan 8.290 nan 0.000 0.469 807 E N 4.353 124.222 120.200 -0.550 0.000 2.356 807 E HA 0.561 4.911 4.350 0.001 0.000 0.275 807 E C -0.895 175.318 176.600 -0.644 0.000 0.904 807 E CA -0.838 55.058 56.400 -0.840 0.000 0.757 807 E CB 1.885 30.648 29.700 -1.561 0.000 1.232 807 E HN 0.679 nan 8.360 nan 0.000 0.442 808 F N 0.112 120.025 119.950 -0.062 0.000 3.039 808 F HA -0.270 4.257 4.527 0.000 0.000 0.287 808 F C 0.735 176.568 175.800 0.054 0.000 0.956 808 F CA 0.107 58.129 58.000 0.036 0.000 0.971 808 F CB -1.893 37.113 39.000 0.009 0.000 0.943 808 F HN 0.379 nan 8.300 nan 0.000 0.766 809 S N 0.305 116.064 115.700 0.098 0.000 2.634 809 S HA 0.570 5.040 4.470 0.001 0.000 0.261 809 S C 1.259 175.981 174.600 0.203 0.000 1.271 809 S CA -0.212 58.048 58.200 0.101 0.000 0.985 809 S CB 1.697 64.894 63.200 -0.005 0.000 0.968 809 S HN 0.506 nan 8.310 nan 0.000 0.568 810 G N -0.446 108.493 108.800 0.232 0.000 3.210 810 G HA2 0.459 4.419 3.960 0.001 0.000 0.220 810 G HA3 0.459 4.419 3.960 0.001 0.000 0.220 810 G C 0.461 175.508 174.900 0.246 0.000 1.200 810 G CA 0.012 45.253 45.100 0.236 0.000 0.834 810 G HN 1.090 nan 8.290 nan 0.000 0.524 811 A N -0.538 122.393 122.820 0.185 0.000 2.406 811 A HA 0.440 4.760 4.320 0.001 0.000 0.243 811 A C 0.872 178.571 177.584 0.192 0.000 1.082 811 A CA -0.322 51.766 52.037 0.085 0.000 0.786 811 A CB 0.095 18.829 19.000 -0.443 0.000 1.029 811 A HN 0.366 nan 8.150 nan 0.000 0.495 812 C N 0.873 120.253 119.300 0.133 0.000 2.727 812 C HA 0.325 4.785 4.460 0.001 0.000 0.401 812 C C 1.226 176.315 174.990 0.166 0.000 1.294 812 C CA -0.481 58.612 59.018 0.125 0.000 2.134 812 C CB -0.391 27.399 27.740 0.083 0.000 2.724 812 C HN 0.811 nan 8.230 nan 0.000 0.677 813 S N 1.213 116.965 115.700 0.087 0.000 2.537 813 S HA 0.406 4.877 4.470 0.001 0.000 0.286 813 S C 1.228 175.874 174.600 0.077 0.000 1.299 813 S CA 0.564 58.795 58.200 0.051 0.000 1.067 813 S CB 0.256 63.446 63.200 -0.017 0.000 0.864 813 S HN 1.646 nan 8.310 nan 0.000 0.494 814 G N 0.992 109.849 108.800 0.096 0.000 2.159 814 G HA2 -0.316 3.644 3.960 0.001 0.000 0.256 814 G HA3 -0.316 3.644 3.960 0.001 0.000 0.256 814 G C 0.446 175.354 174.900 0.014 0.000 0.977 814 G CA -0.114 45.013 45.100 0.044 0.000 0.652 814 G HN 1.042 nan 8.290 nan 0.000 0.531 815 C N 1.327 120.632 119.300 0.008 0.000 2.378 815 C HA 0.422 4.882 4.460 0.001 0.000 0.395 815 C C 2.225 177.173 174.990 -0.071 0.000 1.476 815 C CA 1.199 60.189 59.018 -0.047 0.000 1.541 815 C CB -0.158 27.494 27.740 -0.146 0.000 2.524 815 C HN 1.105 nan 8.230 nan 0.000 0.595 816 G N 3.476 112.260 108.800 -0.026 0.000 2.813 816 G HA2 -0.000 3.960 3.960 0.001 0.000 0.209 816 G HA3 -0.000 3.960 3.960 0.001 0.000 0.209 816 G C 1.314 176.261 174.900 0.079 0.000 1.150 816 G CA 0.343 45.439 45.100 -0.006 0.000 0.785 816 G HN 0.917 nan 8.290 nan 0.000 0.535 817 E N 0.530 120.774 120.200 0.074 0.000 2.042 817 E HA -0.093 4.257 4.350 0.001 0.000 0.189 817 E C 2.842 179.509 176.600 0.112 0.000 0.974 817 E CA 1.394 57.919 56.400 0.209 0.000 0.806 817 E CB -0.281 29.613 29.700 0.323 0.000 0.769 817 E HN 0.478 nan 8.360 nan 0.000 0.451 818 T N -0.150 114.243 114.554 -0.268 0.000 2.833 818 T HA -0.087 4.264 4.350 0.001 0.000 0.269 818 T C -1.155 173.361 174.700 -0.307 0.000 1.054 818 T CA 0.695 62.499 62.100 -0.493 0.000 1.135 818 T CB -1.367 66.954 68.868 -0.912 0.000 0.869 818 T HN -0.014 nan 8.240 nan 0.000 0.466 819 P HA -0.043 nan 4.420 nan 0.000 0.215 819 P C 0.934 178.076 177.300 -0.264 0.000 1.153 819 P CA 1.036 63.948 63.100 -0.313 0.000 0.853 819 P CB -0.250 31.224 31.700 -0.376 0.000 0.788 820 Y N -0.277 119.942 120.300 -0.134 0.000 2.097 820 Y HA -0.216 4.334 4.550 0.001 0.000 0.282 820 Y C 2.405 178.276 175.900 -0.047 0.000 1.152 820 Y CA 1.227 59.286 58.100 -0.069 0.000 1.136 820 Y CB -1.532 37.001 38.460 0.122 0.000 0.975 820 Y HN -0.170 nan 8.280 nan 0.000 0.498 821 V N -0.495 119.495 119.914 0.127 0.000 2.407 821 V HA -0.265 3.855 4.120 0.001 0.000 0.248 821 V C 2.252 178.352 176.094 0.010 0.000 1.055 821 V CA 2.013 64.351 62.300 0.063 0.000 1.049 821 V CB -0.928 31.058 31.823 0.271 0.000 0.662 821 V HN 0.325 nan 8.190 nan 0.000 0.455 822 R N 1.146 121.587 120.500 -0.097 0.000 2.097 822 R HA -0.154 4.187 4.340 0.001 0.000 0.236 822 R C 2.431 178.627 176.300 -0.172 0.000 1.135 822 R CA 2.664 58.663 56.100 -0.169 0.000 0.934 822 R CB -0.713 29.438 30.300 -0.247 0.000 0.846 822 R HN 0.624 nan 8.270 nan 0.000 0.431 823 V N -0.316 119.469 119.914 -0.214 0.000 2.626 823 V HA -0.124 3.996 4.120 0.001 0.000 0.252 823 V C 2.035 178.001 176.094 -0.214 0.000 1.067 823 V CA 1.664 63.802 62.300 -0.270 0.000 1.081 823 V CB -0.422 31.128 31.823 -0.456 0.000 0.686 823 V HN 0.379 nan 8.190 nan 0.000 0.468 824 I N 2.162 122.645 120.570 -0.146 0.000 2.208 824 I HA -0.218 3.952 4.170 0.001 0.000 0.245 824 I C 2.844 178.867 176.117 -0.156 0.000 1.097 824 I CA 2.259 63.439 61.300 -0.201 0.000 1.363 824 I CB -0.710 37.135 38.000 -0.259 0.000 1.051 824 I HN 0.608 nan 8.210 nan 0.000 0.413 825 T N -2.133 112.377 114.554 -0.072 0.000 3.035 825 T HA -0.150 4.201 4.350 0.001 0.000 0.268 825 T C 1.620 176.263 174.700 -0.095 0.000 1.109 825 T CA 0.847 62.931 62.100 -0.027 0.000 1.119 825 T CB -0.194 68.704 68.868 0.050 0.000 0.900 825 T HN 0.412 nan 8.240 nan 0.000 0.503 826 Q N -0.402 119.300 119.800 -0.163 0.000 2.389 826 Q HA 0.244 4.584 4.340 0.001 0.000 0.204 826 Q C 1.478 177.336 176.000 -0.236 0.000 0.944 826 Q CA 0.481 56.183 55.803 -0.169 0.000 0.908 826 Q CB 0.035 28.669 28.738 -0.173 0.000 1.002 826 Q HN 0.409 nan 8.270 nan 0.000 0.493 827 L N -2.285 118.694 121.223 -0.406 0.000 2.425 827 L HA 0.129 4.469 4.340 0.001 0.000 0.215 827 L C 0.787 177.208 176.870 -0.748 0.000 1.065 827 L CA 1.200 55.612 54.840 -0.713 0.000 0.842 827 L CB 0.446 41.777 42.059 -1.213 0.000 1.033 827 L HN 0.131 nan 8.230 nan 0.000 0.474 828 F N -2.527 117.391 119.950 -0.054 0.000 2.871 828 F HA 0.334 4.861 4.527 0.001 0.000 0.344 828 F C 2.106 177.894 175.800 -0.021 0.000 1.078 828 F CA 0.178 58.171 58.000 -0.012 0.000 1.149 828 F CB -0.565 38.439 39.000 0.007 0.000 1.087 828 F HN -0.061 nan 8.300 nan 0.000 0.557 829 G N 1.860 110.715 108.800 0.091 0.000 2.649 829 G HA2 -0.390 3.570 3.960 0.001 0.000 0.220 829 G HA3 -0.390 3.570 3.960 0.001 0.000 0.220 829 G C 1.668 176.601 174.900 0.056 0.000 1.189 829 G CA 1.756 46.895 45.100 0.065 0.000 0.777 829 G HN 0.443 nan 8.290 nan 0.000 0.602 830 E N 1.611 121.840 120.200 0.048 0.000 2.331 830 E HA -0.211 4.140 4.350 0.001 0.000 0.199 830 E C 1.879 178.497 176.600 0.029 0.000 1.008 830 E CA 1.337 57.755 56.400 0.031 0.000 0.843 830 E CB -0.283 29.435 29.700 0.031 0.000 0.761 830 E HN 0.740 nan 8.360 nan 0.000 0.507 831 R N 0.587 121.129 120.500 0.070 0.000 2.642 831 R HA 0.357 4.697 4.340 0.001 0.000 0.435 831 R C 0.613 176.959 176.300 0.077 0.000 1.046 831 R CA -0.323 55.816 56.100 0.064 0.000 1.103 831 R CB -0.209 30.165 30.300 0.123 0.000 1.425 831 R HN 0.130 nan 8.270 nan 0.000 0.586 832 M N -0.753 118.870 119.600 0.037 0.000 2.598 832 M HA 0.574 5.055 4.480 0.001 0.000 0.317 832 M C -1.581 174.693 176.300 -0.044 0.000 1.179 832 M CA -0.755 54.606 55.300 0.102 0.000 0.936 832 M CB 1.672 34.362 32.600 0.150 0.000 1.713 832 M HN -0.169 nan 8.290 nan 0.000 0.460 833 F N 1.813 121.782 119.950 0.032 0.000 2.458 833 F HA 0.691 5.218 4.527 0.000 0.000 0.330 833 F C -0.354 175.365 175.800 -0.134 0.000 1.082 833 F CA -0.577 57.383 58.000 -0.067 0.000 0.995 833 F CB 1.896 40.839 39.000 -0.096 0.000 1.170 833 F HN 0.464 nan 8.300 nan 0.000 0.478 834 I N 2.499 123.013 120.570 -0.093 0.000 2.439 834 I HA 0.461 4.632 4.170 0.001 0.000 0.285 834 I C -0.803 175.029 176.117 -0.475 0.000 1.021 834 I CA -0.812 60.252 61.300 -0.392 0.000 1.091 834 I CB 1.776 39.392 38.000 -0.639 0.000 1.242 834 I HN 0.647 nan 8.210 nan 0.000 0.439 835 A N 6.035 128.630 122.820 -0.375 0.000 2.280 835 A HA 0.431 4.751 4.320 0.001 0.000 0.320 835 A C -0.515 176.871 177.584 -0.330 0.000 1.366 835 A CA -0.495 51.375 52.037 -0.279 0.000 0.938 835 A CB 0.205 19.104 19.000 -0.168 0.000 1.157 835 A HN 0.694 nan 8.150 nan 0.000 0.536 836 N N 2.230 120.620 118.700 -0.517 0.000 2.444 836 N HA 0.491 5.231 4.740 0.001 0.000 0.262 836 N C -0.000 175.298 175.510 -0.353 0.000 0.974 836 N CA -0.018 52.757 53.050 -0.458 0.000 0.933 836 N CB 1.741 39.817 38.487 -0.684 0.000 1.137 836 N HN 0.698 nan 8.380 nan 0.000 0.498 837 A N 2.680 125.277 122.820 -0.372 0.000 2.445 837 A HA 0.245 4.565 4.320 0.001 0.000 0.242 837 A C 0.463 178.013 177.584 -0.057 0.000 1.075 837 A CA 0.019 51.874 52.037 -0.302 0.000 0.777 837 A CB -0.038 18.579 19.000 -0.638 0.000 1.013 837 A HN 0.636 nan 8.150 nan 0.000 0.493 838 T N 1.145 115.741 114.554 0.070 0.000 2.940 838 T HA 0.518 4.869 4.350 0.001 0.000 0.309 838 T C 0.738 175.382 174.700 -0.094 0.000 1.056 838 T CA 0.897 62.988 62.100 -0.014 0.000 1.137 838 T CB 0.677 69.517 68.868 -0.047 0.000 0.976 838 T HN 1.762 nan 8.240 nan 0.000 0.547 839 G N 0.069 108.785 108.800 -0.140 0.000 2.345 839 G HA2 0.105 4.066 3.960 0.001 0.000 0.285 839 G HA3 0.105 4.066 3.960 0.001 0.000 0.285 839 G C 0.780 175.623 174.900 -0.095 0.000 1.297 839 G CA -0.256 44.763 45.100 -0.136 0.000 0.875 839 G HN 0.675 nan 8.290 nan 0.000 0.506 840 C N 0.528 119.809 119.300 -0.033 0.000 2.401 840 C HA -0.038 4.423 4.460 0.001 0.000 0.276 840 C C 3.421 178.188 174.990 -0.371 0.000 1.233 840 C CA 2.684 61.697 59.018 -0.009 0.000 1.753 840 C CB -1.277 26.578 27.740 0.192 0.000 2.029 840 C HN 1.096 nan 8.230 nan 0.000 0.478 841 S N 1.033 116.506 115.700 -0.378 0.000 2.442 841 S HA -0.146 4.324 4.470 0.001 0.000 0.236 841 S C 1.700 175.859 174.600 -0.735 0.000 1.007 841 S CA 1.783 59.439 58.200 -0.907 0.000 0.965 841 S CB -0.561 62.535 63.200 -0.175 0.000 0.773 841 S HN 0.798 nan 8.310 nan 0.000 0.504 842 S N 1.216 116.760 115.700 -0.260 0.000 2.441 842 S HA 0.179 4.649 4.470 0.001 0.000 0.224 842 S C 1.800 176.360 174.600 -0.067 0.000 1.043 842 S CA 0.163 58.395 58.200 0.052 0.000 0.948 842 S CB -0.462 62.798 63.200 0.100 0.000 0.810 842 S HN 0.362 nan 8.310 nan 0.000 0.504 843 I N 2.545 123.032 120.570 -0.140 0.000 2.202 843 I HA -0.037 4.133 4.170 0.001 0.000 0.242 843 I C 2.653 178.780 176.117 0.017 0.000 1.091 843 I CA 1.009 62.280 61.300 -0.049 0.000 1.368 843 I CB -1.735 36.261 38.000 -0.008 0.000 1.058 843 I HN 0.677 nan 8.210 nan 0.000 0.410 844 W N 0.997 122.341 121.300 0.073 0.000 2.584 844 W HA 0.156 4.817 4.660 0.001 0.000 0.264 844 W C 1.857 178.383 176.519 0.013 0.000 1.264 844 W CA 0.672 58.042 57.345 0.043 0.000 1.306 844 W CB -1.373 28.107 29.460 0.035 0.000 1.110 844 W HN 0.110 nan 8.180 nan 0.000 0.606 845 G N 1.310 110.003 108.800 -0.179 0.000 2.421 845 G HA2 0.139 4.099 3.960 0.001 0.000 0.217 845 G HA3 0.139 4.099 3.960 0.001 0.000 0.217 845 G C 0.964 175.646 174.900 -0.364 0.000 1.143 845 G CA 1.183 46.180 45.100 -0.171 0.000 0.784 845 G HN 0.342 nan 8.290 nan 0.000 0.541 846 A N -0.181 122.455 122.820 -0.306 0.000 3.368 846 A HA 0.596 4.917 4.320 0.001 0.000 0.211 846 A C -0.034 177.455 177.584 -0.158 0.000 1.004 846 A CA -0.294 51.551 52.037 -0.320 0.000 1.059 846 A CB 0.134 18.782 19.000 -0.586 0.000 1.298 846 A HN 0.044 nan 8.150 nan 0.000 0.613 847 S N 1.674 117.326 115.700 -0.080 0.000 2.439 847 S HA 0.547 5.018 4.470 0.001 0.000 0.282 847 S C 0.827 175.367 174.600 -0.099 0.000 1.170 847 S CA 0.117 58.286 58.200 -0.051 0.000 1.054 847 S CB 0.944 64.157 63.200 0.023 0.000 0.956 847 S HN 1.166 nan 8.310 nan 0.000 0.490 848 A N 5.251 127.954 122.820 -0.195 0.000 2.531 848 A HA 0.315 4.636 4.320 0.001 0.000 0.236 848 A C -1.133 176.416 177.584 -0.060 0.000 1.062 848 A CA -0.750 51.097 52.037 -0.317 0.000 0.760 848 A CB -0.103 18.646 19.000 -0.419 0.000 0.995 848 A HN 0.645 nan 8.150 nan 0.000 0.501 849 P HA 0.117 nan 4.420 nan 0.000 0.269 849 P C 0.014 177.433 177.300 0.198 0.000 1.478 849 P CA 0.029 63.210 63.100 0.135 0.000 1.045 849 P CB 0.330 32.222 31.700 0.321 0.000 1.512 850 S N 1.440 117.211 115.700 0.118 0.000 2.416 850 S HA 0.471 4.942 4.470 0.001 0.000 0.287 850 S C 0.080 174.743 174.600 0.106 0.000 1.139 850 S CA -0.458 57.842 58.200 0.167 0.000 1.058 850 S CB -0.316 62.981 63.200 0.162 0.000 0.967 850 S HN -0.086 nan 8.310 nan 0.000 0.495 851 M N 8.174 127.864 119.600 0.150 0.000 2.043 851 M HA 0.327 4.807 4.480 0.001 0.000 0.322 851 M C -1.913 174.429 176.300 0.070 0.000 0.962 851 M CA -2.673 52.676 55.300 0.082 0.000 0.927 851 M CB 1.238 33.911 32.600 0.121 0.000 1.466 851 M HN 0.390 nan 8.290 nan 0.000 0.412 852 P HA -0.075 nan 4.420 nan 0.000 0.224 852 P C -0.070 177.116 177.300 -0.190 0.000 1.157 852 P CA 0.932 63.979 63.100 -0.088 0.000 0.799 852 P CB 0.160 31.799 31.700 -0.102 0.000 0.809 853 Y N 2.067 122.318 120.300 -0.083 0.000 2.346 853 Y HA 0.168 4.718 4.550 0.001 0.000 0.330 853 Y C 1.570 177.433 175.900 -0.062 0.000 1.178 853 Y CA 0.242 58.301 58.100 -0.068 0.000 1.331 853 Y CB 0.595 39.009 38.460 -0.077 0.000 1.253 853 Y HN -0.012 nan 8.280 nan 0.000 0.529 854 K N -0.436 120.003 120.400 0.065 0.000 2.439 854 K HA 0.709 5.029 4.320 0.001 0.000 0.260 854 K C -1.023 175.590 176.600 0.022 0.000 1.032 854 K CA -1.018 55.279 56.287 0.015 0.000 0.882 854 K CB 1.572 34.036 32.500 -0.061 0.000 1.420 854 K HN 0.547 nan 8.250 nan 0.000 0.455 855 T N -0.944 113.614 114.554 0.007 0.000 2.902 855 T HA 0.273 4.623 4.350 0.001 0.000 0.280 855 T C 0.242 174.936 174.700 -0.010 0.000 0.992 855 T CA -0.770 61.332 62.100 0.003 0.000 1.015 855 T CB 0.648 69.517 68.868 0.002 0.000 1.044 855 T HN 0.738 nan 8.240 nan 0.000 0.520 856 N N 0.532 119.226 118.700 -0.009 0.000 2.374 856 N HA 0.154 4.894 4.740 0.001 0.000 0.284 856 N C 1.308 176.812 175.510 -0.010 0.000 1.280 856 N CA -1.029 52.012 53.050 -0.014 0.000 0.963 856 N CB 0.227 38.707 38.487 -0.011 0.000 1.141 856 N HN 0.822 nan 8.380 nan 0.000 0.565 857 R N -1.476 119.018 120.500 -0.011 0.000 2.293 857 R HA -0.022 4.319 4.340 0.001 0.000 0.219 857 R C 0.194 176.492 176.300 -0.003 0.000 1.091 857 R CA 0.952 57.048 56.100 -0.007 0.000 1.004 857 R CB -0.550 29.745 30.300 -0.009 0.000 0.865 857 R HN 0.357 nan 8.270 nan 0.000 0.469 858 L N 0.494 121.715 121.223 -0.003 0.000 2.667 858 L HA 0.347 4.687 4.340 0.001 0.000 0.232 858 L C 1.129 177.997 176.870 -0.004 0.000 1.138 858 L CA 0.921 55.760 54.840 -0.002 0.000 0.921 858 L CB 0.547 42.607 42.059 0.001 0.000 1.180 858 L HN 0.533 nan 8.230 nan 0.000 0.487 859 G N -0.647 108.151 108.800 -0.004 0.000 2.148 859 G HA2 -0.299 3.662 3.960 0.001 0.000 0.254 859 G HA3 -0.299 3.662 3.960 0.001 0.000 0.254 859 G C 0.383 175.276 174.900 -0.012 0.000 0.981 859 G CA 0.124 45.221 45.100 -0.006 0.000 0.670 859 G HN 0.430 nan 8.290 nan 0.000 0.528 860 Q N -0.532 119.262 119.800 -0.011 0.000 2.235 860 Q HA 0.673 5.013 4.340 0.001 0.000 0.256 860 Q C 0.424 176.418 176.000 -0.011 0.000 0.951 860 Q CA -0.046 55.747 55.803 -0.017 0.000 0.890 860 Q CB 2.137 30.869 28.738 -0.010 0.000 1.279 860 Q HN 0.899 nan 8.270 nan 0.000 0.444 861 G N 1.092 109.879 108.800 -0.021 0.000 2.466 861 G HA2 0.370 4.330 3.960 0.001 0.000 0.291 861 G HA3 0.370 4.330 3.960 0.001 0.000 0.291 861 G C -3.097 171.789 174.900 -0.024 0.000 1.460 861 G CA -1.039 44.062 45.100 0.001 0.000 0.791 861 G HN 0.310 nan 8.290 nan 0.000 0.505 862 P HA 0.391 nan 4.420 nan 0.000 0.263 862 P C -0.055 177.205 177.300 -0.066 0.000 1.195 862 P CA 0.238 63.317 63.100 -0.034 0.000 0.762 862 P CB 0.970 32.682 31.700 0.021 0.000 0.799 863 A N 4.042 126.766 122.820 -0.161 0.000 2.343 863 A HA 0.293 4.614 4.320 0.001 0.000 0.305 863 A C -0.931 176.649 177.584 -0.006 0.000 1.308 863 A CA -0.396 51.567 52.037 -0.123 0.000 0.949 863 A CB -0.450 18.344 19.000 -0.342 0.000 1.148 863 A HN 0.642 nan 8.150 nan 0.000 0.545 864 W N 2.694 123.897 121.300 -0.162 0.000 2.520 864 W HA 0.595 5.255 4.660 0.000 0.000 0.323 864 W C 0.215 176.703 176.519 -0.051 0.000 1.062 864 W CA 0.130 57.359 57.345 -0.193 0.000 1.215 864 W CB 1.912 31.154 29.460 -0.363 0.000 1.340 864 W HN 0.876 nan 8.180 nan 0.000 0.516 865 G N 3.563 112.140 108.800 -0.372 0.000 2.719 865 G HA2 0.287 4.247 3.960 0.001 0.000 0.298 865 G HA3 0.287 4.247 3.960 0.001 0.000 0.298 865 G C -2.154 172.409 174.900 -0.560 0.000 1.411 865 G CA -0.993 44.018 45.100 -0.149 0.000 0.991 865 G HN 0.456 nan 8.290 nan 0.000 0.509 866 N N 0.791 119.286 118.700 -0.341 0.000 2.479 866 N HA 0.446 5.186 4.740 0.001 0.000 0.261 866 N C 0.776 176.103 175.510 -0.304 0.000 0.979 866 N CA -0.088 52.750 53.050 -0.354 0.000 0.930 866 N CB 2.259 40.691 38.487 -0.092 0.000 1.172 866 N HN 0.331 nan 8.380 nan 0.000 0.499 867 S N 3.606 118.955 115.700 -0.585 0.000 2.289 867 S HA 0.432 4.903 4.470 0.001 0.000 0.193 867 S C 0.366 174.773 174.600 -0.322 0.000 1.002 867 S CA 0.375 58.156 58.200 -0.699 0.000 0.951 867 S CB -0.192 62.232 63.200 -1.292 0.000 0.920 867 S HN 0.495 nan 8.310 nan 0.000 0.502 868 L N -1.174 119.900 121.223 -0.247 0.000 2.170 868 L HA 0.499 4.840 4.340 0.001 0.000 0.247 868 L C 0.489 177.391 176.870 0.055 0.000 1.078 868 L CA -0.697 54.102 54.840 -0.068 0.000 0.936 868 L CB 0.670 42.703 42.059 -0.043 0.000 1.528 868 L HN 0.374 nan 8.230 nan 0.000 0.455 869 F N 1.113 121.039 119.950 -0.040 0.000 2.270 869 F HA -0.024 4.503 4.527 0.000 0.000 0.295 869 F C 2.198 178.092 175.800 0.157 0.000 1.087 869 F CA 1.288 59.305 58.000 0.028 0.000 1.365 869 F CB 0.005 39.031 39.000 0.043 0.000 1.056 869 F HN 0.603 nan 8.300 nan 0.000 0.506 870 E N -0.023 120.182 120.200 0.007 0.000 2.385 870 E HA -0.096 4.255 4.350 0.001 0.000 0.194 870 E C 0.386 177.041 176.600 0.091 0.000 1.013 870 E CA 1.080 57.444 56.400 -0.061 0.000 0.866 870 E CB -0.682 28.956 29.700 -0.104 0.000 0.832 870 E HN 0.553 nan 8.360 nan 0.000 0.500 871 D N 0.368 120.822 120.400 0.090 0.000 2.462 871 D HA 0.266 4.906 4.640 0.001 0.000 0.221 871 D C 1.352 177.742 176.300 0.150 0.000 1.173 871 D CA 0.317 54.382 54.000 0.108 0.000 0.831 871 D CB 0.506 41.321 40.800 0.024 0.000 1.001 871 D HN 0.105 nan 8.370 nan 0.000 0.499 872 A N 1.205 124.097 122.820 0.119 0.000 1.892 872 A HA -0.055 4.265 4.320 0.001 0.000 0.218 872 A C 2.397 180.073 177.584 0.153 0.000 1.188 872 A CA 2.418 54.436 52.037 -0.032 0.000 0.631 872 A CB -0.935 17.672 19.000 -0.655 0.000 0.822 872 A HN 0.399 nan 8.150 nan 0.000 0.447 873 A N 0.539 123.591 122.820 0.387 0.000 1.877 873 A HA -0.182 4.138 4.320 0.001 0.000 0.216 873 A C 1.958 179.686 177.584 0.240 0.000 1.186 873 A CA 1.812 54.060 52.037 0.351 0.000 0.620 873 A CB -0.577 18.670 19.000 0.412 0.000 0.822 873 A HN 0.692 nan 8.150 nan 0.000 0.443 874 E N -1.143 119.186 120.200 0.216 0.000 2.204 874 E HA -0.229 4.122 4.350 0.001 0.000 0.194 874 E C 1.860 178.621 176.600 0.267 0.000 0.989 874 E CA 1.428 57.959 56.400 0.217 0.000 0.824 874 E CB -0.696 29.084 29.700 0.133 0.000 0.756 874 E HN 0.714 nan 8.360 nan 0.000 0.477 875 Y N 2.603 122.943 120.300 0.067 0.000 2.163 875 Y HA 0.007 4.557 4.550 0.000 0.000 0.288 875 Y C 2.522 178.416 175.900 -0.010 0.000 1.136 875 Y CA 1.701 59.805 58.100 0.007 0.000 1.147 875 Y CB -0.741 37.691 38.460 -0.046 0.000 0.987 875 Y HN 0.062 nan 8.280 nan 0.000 0.509 876 G N -0.779 108.014 108.800 -0.012 0.000 2.408 876 G HA2 -0.301 3.659 3.960 0.001 0.000 0.217 876 G HA3 -0.301 3.659 3.960 0.001 0.000 0.217 876 G C 1.667 176.527 174.900 -0.067 0.000 1.150 876 G CA 0.684 45.700 45.100 -0.139 0.000 0.776 876 G HN 0.468 nan 8.290 nan 0.000 0.542 877 F N 2.567 122.466 119.950 -0.084 0.000 2.126 877 F HA -0.016 4.511 4.527 0.000 0.000 0.299 877 F C 2.537 178.274 175.800 -0.106 0.000 1.096 877 F CA 1.488 59.442 58.000 -0.076 0.000 1.255 877 F CB -0.514 38.476 39.000 -0.016 0.000 0.997 877 F HN 0.113 nan 8.300 nan 0.000 0.479 878 G N -0.049 108.706 108.800 -0.075 0.000 2.432 878 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 878 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 878 G C 1.669 176.402 174.900 -0.279 0.000 1.135 878 G CA 0.914 45.911 45.100 -0.172 0.000 0.767 878 G HN 0.397 nan 8.290 nan 0.000 0.550 879 M N 0.618 120.004 119.600 -0.355 0.000 2.175 879 M HA -0.054 4.426 4.480 0.001 0.000 0.264 879 M C 2.431 178.429 176.300 -0.504 0.000 1.063 879 M CA 1.127 56.130 55.300 -0.494 0.000 1.119 879 M CB -0.371 31.834 32.600 -0.658 0.000 1.377 879 M HN 0.307 nan 8.290 nan 0.000 0.415 880 N N 1.017 119.459 118.700 -0.430 0.000 2.142 880 N HA -0.145 4.595 4.740 0.001 0.000 0.186 880 N C 1.631 176.956 175.510 -0.309 0.000 1.023 880 N CA 1.435 54.268 53.050 -0.362 0.000 0.852 880 N CB -0.042 38.248 38.487 -0.329 0.000 0.998 880 N HN 0.372 nan 8.380 nan 0.000 0.424 881 M N 0.221 119.578 119.600 -0.406 0.000 2.086 881 M HA -0.128 4.352 4.480 0.001 0.000 0.261 881 M C 2.559 178.795 176.300 -0.108 0.000 1.067 881 M CA 1.397 56.523 55.300 -0.290 0.000 1.116 881 M CB -0.393 31.996 32.600 -0.352 0.000 1.348 881 M HN 0.146 nan 8.290 nan 0.000 0.407 882 S N 0.410 116.019 115.700 -0.152 0.000 2.353 882 S HA -0.175 4.295 4.470 0.001 0.000 0.222 882 S C 1.997 176.561 174.600 -0.060 0.000 1.035 882 S CA 1.348 59.492 58.200 -0.094 0.000 1.025 882 S CB -0.042 63.083 63.200 -0.125 0.000 0.902 882 S HN 0.291 nan 8.310 nan 0.000 0.440 883 M N 0.345 119.878 119.600 -0.112 0.000 2.106 883 M HA -0.052 4.428 4.480 0.001 0.000 0.259 883 M C 1.989 178.288 176.300 -0.001 0.000 1.068 883 M CA 1.415 56.684 55.300 -0.050 0.000 1.100 883 M CB -1.753 30.793 32.600 -0.090 0.000 1.351 883 M HN 0.535 nan 8.290 nan 0.000 0.404 884 F N 0.893 120.782 119.950 -0.103 0.000 2.102 884 F HA -0.158 4.369 4.527 0.000 0.000 0.298 884 F C 2.333 178.114 175.800 -0.032 0.000 1.105 884 F CA 1.874 59.831 58.000 -0.072 0.000 1.239 884 F CB -0.386 38.543 39.000 -0.118 0.000 0.991 884 F HN 0.134 nan 8.300 nan 0.000 0.474 885 A N 0.610 123.458 122.820 0.047 0.000 1.877 885 A HA -0.172 4.148 4.320 0.001 0.000 0.216 885 A C 2.295 179.855 177.584 -0.039 0.000 1.186 885 A CA 1.775 53.810 52.037 -0.005 0.000 0.620 885 A CB -0.693 18.338 19.000 0.052 0.000 0.822 885 A HN 0.469 nan 8.150 nan 0.000 0.443 886 R N -0.791 119.708 120.500 -0.001 0.000 2.090 886 R HA 0.002 4.342 4.340 0.001 0.000 0.228 886 R C 2.307 178.629 176.300 0.037 0.000 1.110 886 R CA 1.255 57.384 56.100 0.048 0.000 0.973 886 R CB -0.235 30.089 30.300 0.039 0.000 0.869 886 R HN 0.449 nan 8.270 nan 0.000 0.440 887 R N -0.286 120.211 120.500 -0.005 0.000 2.193 887 R HA 0.017 4.357 4.340 0.001 0.000 0.213 887 R C 1.826 178.139 176.300 0.023 0.000 1.055 887 R CA 1.166 57.303 56.100 0.061 0.000 0.995 887 R CB -0.036 30.317 30.300 0.089 0.000 0.893 887 R HN 0.147 nan 8.270 nan 0.000 0.459 888 T N -0.361 114.098 114.554 -0.159 0.000 2.857 888 T HA -0.146 4.205 4.350 0.001 0.000 0.266 888 T C 1.559 176.268 174.700 0.015 0.000 1.048 888 T CA 1.056 63.044 62.100 -0.186 0.000 1.139 888 T CB -0.202 68.413 68.868 -0.421 0.000 0.874 888 T HN 0.459 nan 8.240 nan 0.000 0.455 889 H N 0.373 119.397 119.070 -0.076 0.000 2.321 889 H HA -0.072 4.484 4.556 0.001 0.000 0.300 889 H C 2.362 177.683 175.328 -0.011 0.000 1.087 889 H CA 1.129 57.155 56.048 -0.037 0.000 1.319 889 H CB -0.121 29.620 29.762 -0.035 0.000 1.379 889 H HN 0.165 nan 8.280 nan 0.000 0.501 890 L N 1.288 122.518 121.223 0.011 0.000 2.042 890 L HA -0.129 4.212 4.340 0.001 0.000 0.210 890 L C 2.474 179.364 176.870 0.034 0.000 1.076 890 L CA 2.066 56.860 54.840 -0.077 0.000 0.749 890 L CB -1.096 40.917 42.059 -0.076 0.000 0.893 890 L HN 0.356 nan 8.230 nan 0.000 0.432 891 A N -1.248 121.691 122.820 0.198 0.000 2.015 891 A HA -0.168 4.153 4.320 0.001 0.000 0.219 891 A C 1.893 179.557 177.584 0.134 0.000 1.163 891 A CA 1.618 53.826 52.037 0.285 0.000 0.646 891 A CB -0.719 18.418 19.000 0.229 0.000 0.806 891 A HN 0.537 nan 8.150 nan 0.000 0.448 892 D N -0.480 119.979 120.400 0.099 0.000 2.123 892 D HA -0.064 4.577 4.640 0.001 0.000 0.200 892 D C 1.712 178.051 176.300 0.065 0.000 0.976 892 D CA 0.623 54.672 54.000 0.080 0.000 0.831 892 D CB -0.095 40.766 40.800 0.103 0.000 0.974 892 D HN 0.219 nan 8.370 nan 0.000 0.469 893 L N 0.739 121.991 121.223 0.049 0.000 2.083 893 L HA -0.008 4.332 4.340 0.001 0.000 0.209 893 L C 2.321 179.187 176.870 -0.007 0.000 1.083 893 L CA 1.175 56.017 54.840 0.003 0.000 0.752 893 L CB -1.438 40.580 42.059 -0.069 0.000 0.899 893 L HN -0.034 nan 8.230 nan 0.000 0.433 894 A N -0.450 122.370 122.820 0.001 0.000 1.877 894 A HA -0.164 4.156 4.320 0.001 0.000 0.216 894 A C 2.517 180.118 177.584 0.029 0.000 1.186 894 A CA 1.921 53.964 52.037 0.009 0.000 0.620 894 A CB -0.823 18.227 19.000 0.084 0.000 0.822 894 A HN 0.385 nan 8.150 nan 0.000 0.443 895 A N -0.274 122.573 122.820 0.045 0.000 1.902 895 A HA -0.185 4.136 4.320 0.001 0.000 0.217 895 A C 2.118 179.711 177.584 0.015 0.000 1.181 895 A CA 1.927 53.982 52.037 0.029 0.000 0.623 895 A CB -0.436 18.581 19.000 0.029 0.000 0.818 895 A HN 0.567 nan 8.150 nan 0.000 0.443 896 K N -0.378 120.031 120.400 0.015 0.000 2.057 896 K HA -0.003 4.317 4.320 0.001 0.000 0.206 896 K C 2.246 178.846 176.600 0.001 0.000 1.050 896 K CA 1.048 57.340 56.287 0.009 0.000 0.935 896 K CB -0.323 32.184 32.500 0.013 0.000 0.715 896 K HN 0.423 nan 8.250 nan 0.000 0.439 897 A N 1.354 124.171 122.820 -0.004 0.000 2.019 897 A HA -0.120 4.200 4.320 0.001 0.000 0.219 897 A C 1.989 179.568 177.584 -0.009 0.000 1.164 897 A CA 1.142 53.172 52.037 -0.011 0.000 0.644 897 A CB -0.622 18.365 19.000 -0.023 0.000 0.805 897 A HN 0.192 nan 8.150 nan 0.000 0.449 898 L N -0.854 120.365 121.223 -0.006 0.000 2.353 898 L HA -0.138 4.202 4.340 0.001 0.000 0.220 898 L C 1.507 178.373 176.870 -0.006 0.000 1.133 898 L CA 1.118 55.954 54.840 -0.007 0.000 0.798 898 L CB -0.262 41.794 42.059 -0.005 0.000 0.922 898 L HN 0.487 nan 8.230 nan 0.000 0.445 899 E N -1.159 119.039 120.200 -0.004 0.000 2.558 899 E HA 0.062 4.412 4.350 0.001 0.000 0.205 899 E C 0.738 177.336 176.600 -0.004 0.000 1.006 899 E CA -0.155 56.243 56.400 -0.004 0.000 0.961 899 E CB 0.552 30.251 29.700 -0.002 0.000 1.044 899 E HN 0.389 nan 8.360 nan 0.000 0.465 900 S N 0.839 116.536 115.700 -0.005 0.000 2.590 900 S HA 0.112 4.582 4.470 0.001 0.000 0.282 900 S C 0.682 175.279 174.600 -0.005 0.000 1.136 900 S CA -0.514 57.683 58.200 -0.005 0.000 1.030 900 S CB 0.617 63.813 63.200 -0.006 0.000 1.195 900 S HN 0.097 nan 8.310 nan 0.000 0.506 901 D N -0.134 120.263 120.400 -0.005 0.000 2.491 901 D HA 0.371 5.011 4.640 0.001 0.000 0.228 901 D C 0.555 176.852 176.300 -0.005 0.000 1.183 901 D CA -0.374 53.624 54.000 -0.004 0.000 0.827 901 D CB -0.586 40.212 40.800 -0.003 0.000 0.989 901 D HN 0.677 nan 8.370 nan 0.000 0.494 902 A N 0.823 123.639 122.820 -0.006 0.000 2.466 902 A HA 0.413 4.733 4.320 0.001 0.000 0.238 902 A C 0.943 178.524 177.584 -0.005 0.000 1.074 902 A CA -0.100 51.933 52.037 -0.007 0.000 0.774 902 A CB 0.114 19.108 19.000 -0.011 0.000 1.015 902 A HN 0.429 nan 8.150 nan 0.000 0.498 903 S N 1.109 116.807 115.700 -0.004 0.000 2.576 903 S HA 0.318 4.788 4.470 0.001 0.000 0.272 903 S C 1.423 176.023 174.600 0.001 0.000 1.352 903 S CA -0.143 58.057 58.200 -0.001 0.000 1.021 903 S CB 0.713 63.913 63.200 0.001 0.000 0.887 903 S HN 1.472 nan 8.310 nan 0.000 0.542 904 G N 0.923 109.725 108.800 0.003 0.000 2.469 904 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 904 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 904 G C 0.918 175.824 174.900 0.010 0.000 1.136 904 G CA 0.985 46.088 45.100 0.005 0.000 0.759 904 G HN 0.763 nan 8.290 nan 0.000 0.562 905 D N 0.201 120.609 120.400 0.013 0.000 2.078 905 D HA -0.095 4.545 4.640 0.001 0.000 0.193 905 D C 2.823 179.135 176.300 0.020 0.000 0.990 905 D CA 0.962 54.975 54.000 0.021 0.000 0.827 905 D CB -0.749 40.062 40.800 0.019 0.000 0.975 905 D HN 0.156 nan 8.370 nan 0.000 0.451 906 V N 1.248 121.167 119.914 0.008 0.000 2.324 906 V HA -0.271 3.849 4.120 0.001 0.000 0.250 906 V C 2.298 178.388 176.094 -0.007 0.000 1.060 906 V CA 1.720 64.018 62.300 -0.003 0.000 1.042 906 V CB -0.392 31.424 31.823 -0.011 0.000 0.650 906 V HN 0.231 nan 8.190 nan 0.000 0.450 907 K N -0.528 119.869 120.400 -0.005 0.000 2.148 907 K HA -0.204 4.116 4.320 0.001 0.000 0.204 907 K C 2.208 178.800 176.600 -0.014 0.000 1.050 907 K CA 1.437 57.718 56.287 -0.011 0.000 0.942 907 K CB -0.132 32.363 32.500 -0.009 0.000 0.724 907 K HN 0.563 nan 8.250 nan 0.000 0.446 908 E N 0.787 120.987 120.200 0.001 0.000 2.028 908 E HA -0.168 4.183 4.350 0.001 0.000 0.191 908 E C 2.028 178.628 176.600 -0.001 0.000 0.988 908 E CA 0.976 57.378 56.400 0.003 0.000 0.799 908 E CB -0.017 29.708 29.700 0.040 0.000 0.755 908 E HN 0.287 nan 8.360 nan 0.000 0.447 909 A N 0.896 123.756 122.820 0.067 0.000 1.908 909 A HA -0.184 4.136 4.320 0.001 0.000 0.218 909 A C 2.087 179.693 177.584 0.036 0.000 1.181 909 A CA 1.063 53.193 52.037 0.155 0.000 0.627 909 A CB -0.592 18.483 19.000 0.124 0.000 0.818 909 A HN 0.278 nan 8.150 nan 0.000 0.445 910 L N -0.629 120.589 121.223 -0.008 0.000 2.042 910 L HA -0.191 4.150 4.340 0.001 0.000 0.210 910 L C 2.619 179.491 176.870 0.005 0.000 1.076 910 L CA 2.421 57.260 54.840 -0.002 0.000 0.749 910 L CB -0.940 41.107 42.059 -0.021 0.000 0.893 910 L HN 0.554 nan 8.230 nan 0.000 0.432 911 Q N -0.723 119.033 119.800 -0.073 0.000 2.079 911 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 911 Q C 2.163 178.005 176.000 -0.264 0.000 0.974 911 Q CA 1.863 57.595 55.803 -0.119 0.000 0.840 911 Q CB -0.805 27.867 28.738 -0.109 0.000 0.898 911 Q HN 0.438 nan 8.270 nan 0.000 0.430 912 G N -0.541 107.939 108.800 -0.534 0.000 2.440 912 G HA2 -0.292 3.669 3.960 0.001 0.000 0.218 912 G HA3 -0.292 3.669 3.960 0.001 0.000 0.218 912 G C 1.172 175.597 174.900 -0.792 0.000 1.154 912 G CA 0.752 45.097 45.100 -1.259 0.000 0.767 912 G HN 0.551 nan 8.290 nan 0.000 0.552 913 W N 0.723 121.745 121.300 -0.462 0.000 2.378 913 W HA -0.010 4.650 4.660 0.001 0.000 0.313 913 W C 2.236 178.678 176.519 -0.128 0.000 1.197 913 W CA 0.854 58.115 57.345 -0.140 0.000 1.304 913 W CB -0.421 28.966 29.460 -0.123 0.000 1.148 913 W HN 0.079 nan 8.180 nan 0.000 0.494 914 L N 1.182 122.369 121.223 -0.060 0.000 2.043 914 L HA -0.223 4.117 4.340 0.001 0.000 0.212 914 L C 2.553 179.226 176.870 -0.328 0.000 1.075 914 L CA 2.409 57.120 54.840 -0.215 0.000 0.752 914 L CB -2.050 39.993 42.059 -0.026 0.000 0.891 914 L HN 0.210 nan 8.230 nan 0.000 0.432 915 A N -1.058 121.601 122.820 -0.268 0.000 1.898 915 A HA -0.021 4.299 4.320 0.001 0.000 0.216 915 A C 1.999 179.444 177.584 -0.233 0.000 1.181 915 A CA 1.577 53.481 52.037 -0.221 0.000 0.620 915 A CB -0.872 18.012 19.000 -0.194 0.000 0.819 915 A HN 0.451 nan 8.150 nan 0.000 0.442 916 G N -0.291 108.346 108.800 -0.272 0.000 3.707 916 G HA2 0.261 4.221 3.960 0.001 0.000 0.286 916 G HA3 0.261 4.221 3.960 0.001 0.000 0.286 916 G C 1.001 175.681 174.900 -0.365 0.000 1.112 916 G CA 0.498 45.471 45.100 -0.211 0.000 0.861 916 G HN 0.700 nan 8.290 nan 0.000 0.534 917 K N -0.149 119.842 120.400 -0.681 0.000 2.173 917 K HA -0.155 4.165 4.320 0.001 0.000 0.207 917 K C 1.235 177.598 176.600 -0.396 0.000 1.046 917 K CA 1.733 57.443 56.287 -0.962 0.000 0.929 917 K CB -0.238 31.574 32.500 -1.148 0.000 0.720 917 K HN 0.326 nan 8.250 nan 0.000 0.453 918 N N 0.705 119.257 118.700 -0.246 0.000 2.214 918 N HA -0.000 4.740 4.740 0.001 0.000 0.214 918 N C -0.881 174.596 175.510 -0.056 0.000 1.132 918 N CA -0.246 52.737 53.050 -0.111 0.000 0.856 918 N CB 0.438 38.869 38.487 -0.093 0.000 1.020 918 N HN 0.256 nan 8.380 nan 0.000 0.509 919 D N 1.154 121.520 120.400 -0.057 0.000 2.280 919 D HA 0.144 4.784 4.640 0.001 0.000 0.236 919 D C -1.942 174.381 176.300 0.038 0.000 1.082 919 D CA -2.141 51.857 54.000 -0.002 0.000 0.834 919 D CB 2.108 42.908 40.800 -0.001 0.000 1.100 919 D HN -0.082 nan 8.370 nan 0.000 0.486 920 P HA -0.174 nan 4.420 nan 0.000 0.216 920 P C 1.653 179.012 177.300 0.098 0.000 1.154 920 P CA 0.836 63.996 63.100 0.101 0.000 0.865 920 P CB 0.376 32.152 31.700 0.127 0.000 0.789 921 I N -0.807 119.811 120.570 0.080 0.000 2.110 921 I HA -0.168 4.003 4.170 0.001 0.000 0.236 921 I C 2.018 178.175 176.117 0.067 0.000 1.068 921 I CA 1.697 63.038 61.300 0.067 0.000 1.333 921 I CB -1.539 36.494 38.000 0.055 0.000 1.054 921 I HN -0.042 nan 8.210 nan 0.000 0.402 922 K N 1.268 121.716 120.400 0.079 0.000 2.147 922 K HA -0.081 4.239 4.320 0.001 0.000 0.205 922 K C 2.232 178.950 176.600 0.197 0.000 1.049 922 K CA 1.493 57.862 56.287 0.137 0.000 0.936 922 K CB -0.620 31.980 32.500 0.167 0.000 0.722 922 K HN 0.501 nan 8.250 nan 0.000 0.446 923 S N 1.069 116.843 115.700 0.124 0.000 2.368 923 S HA -0.146 4.324 4.470 0.001 0.000 0.224 923 S C 2.110 176.899 174.600 0.316 0.000 1.029 923 S CA 1.214 59.522 58.200 0.180 0.000 0.988 923 S CB -0.128 63.146 63.200 0.123 0.000 0.838 923 S HN 0.292 nan 8.310 nan 0.000 0.462 924 K N 1.279 121.801 120.400 0.203 0.000 2.062 924 K HA -0.092 4.228 4.320 0.001 0.000 0.205 924 K C 2.377 179.041 176.600 0.107 0.000 1.051 924 K CA 1.346 57.736 56.287 0.173 0.000 0.941 924 K CB -0.296 32.276 32.500 0.120 0.000 0.719 924 K HN 0.606 nan 8.250 nan 0.000 0.440 925 E N -0.394 119.823 120.200 0.029 0.000 2.038 925 E HA -0.230 4.121 4.350 0.001 0.000 0.195 925 E C 1.724 178.190 176.600 -0.223 0.000 1.000 925 E CA 1.654 57.969 56.400 -0.141 0.000 0.803 925 E CB -0.146 29.387 29.700 -0.277 0.000 0.750 925 E HN 0.438 nan 8.360 nan 0.000 0.448 926 Y N -0.476 119.883 120.300 0.098 0.000 2.337 926 Y HA 0.045 4.595 4.550 0.001 0.000 0.293 926 Y C 2.367 178.281 175.900 0.023 0.000 1.123 926 Y CA 0.743 58.892 58.100 0.082 0.000 1.201 926 Y CB -0.340 38.200 38.460 0.134 0.000 1.011 926 Y HN 0.173 nan 8.280 nan 0.000 0.545 927 G N 0.094 109.014 108.800 0.199 0.000 2.421 927 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 927 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 927 G C 1.197 176.145 174.900 0.080 0.000 1.171 927 G CA 1.432 46.529 45.100 -0.004 0.000 0.775 927 G HN 0.263 nan 8.290 nan 0.000 0.543 928 D N 0.638 121.099 120.400 0.102 0.000 2.117 928 D HA -0.044 4.596 4.640 0.001 0.000 0.197 928 D C 2.477 178.801 176.300 0.040 0.000 0.987 928 D CA 0.820 54.868 54.000 0.079 0.000 0.829 928 D CB -0.168 40.659 40.800 0.044 0.000 0.961 928 D HN 0.301 nan 8.370 nan 0.000 0.460 929 K N -0.010 120.395 120.400 0.008 0.000 2.057 929 K HA -0.121 4.200 4.320 0.001 0.000 0.207 929 K C 2.014 178.620 176.600 0.010 0.000 1.049 929 K CA 0.429 56.721 56.287 0.008 0.000 0.931 929 K CB -0.163 32.348 32.500 0.018 0.000 0.714 929 K HN 0.028 nan 8.250 nan 0.000 0.440 930 L N 1.865 123.070 121.223 -0.031 0.000 2.083 930 L HA -0.169 4.171 4.340 0.001 0.000 0.209 930 L C 1.896 178.787 176.870 0.036 0.000 1.083 930 L CA 1.756 56.543 54.840 -0.088 0.000 0.752 930 L CB -0.275 41.538 42.059 -0.411 0.000 0.899 930 L HN 0.033 nan 8.230 nan 0.000 0.433 931 K N -0.946 119.529 120.400 0.125 0.000 2.147 931 K HA -0.181 4.139 4.320 0.001 0.000 0.205 931 K C 2.025 178.665 176.600 0.066 0.000 1.049 931 K CA 1.384 57.761 56.287 0.148 0.000 0.936 931 K CB -0.004 32.582 32.500 0.143 0.000 0.722 931 K HN 0.315 nan 8.250 nan 0.000 0.446 932 K N 0.381 120.807 120.400 0.043 0.000 2.098 932 K HA 0.018 4.338 4.320 0.001 0.000 0.203 932 K C 1.997 178.608 176.600 0.019 0.000 1.051 932 K CA 0.686 56.988 56.287 0.025 0.000 0.957 932 K CB 0.034 32.545 32.500 0.018 0.000 0.738 932 K HN 0.039 nan 8.250 nan 0.000 0.447 933 L N 0.986 122.219 121.223 0.017 0.000 2.191 933 L HA -0.119 4.222 4.340 0.001 0.000 0.212 933 L C 1.794 178.669 176.870 0.008 0.000 1.103 933 L CA 0.979 55.825 54.840 0.009 0.000 0.769 933 L CB -0.144 41.918 42.059 0.005 0.000 0.908 933 L HN 0.171 nan 8.230 nan 0.000 0.438 934 L N -0.847 120.385 121.223 0.015 0.000 2.693 934 L HA 0.311 4.652 4.340 0.001 0.000 0.235 934 L C 1.074 177.952 176.870 0.013 0.000 1.127 934 L CA -0.556 54.291 54.840 0.013 0.000 0.914 934 L CB -0.123 41.948 42.059 0.021 0.000 1.193 934 L HN 0.028 nan 8.230 nan 0.000 0.502 935 A N 0.636 123.465 122.820 0.015 0.000 2.566 935 A HA 0.357 4.677 4.320 0.001 0.000 0.245 935 A C 1.441 179.025 177.584 0.001 0.000 1.056 935 A CA 1.125 53.167 52.037 0.007 0.000 0.757 935 A CB -0.225 18.780 19.000 0.008 0.000 0.979 935 A HN 0.635 nan 8.150 nan 0.000 0.508 936 G N 0.878 109.676 108.800 -0.004 0.000 2.317 936 G HA2 -0.221 3.739 3.960 0.001 0.000 0.227 936 G HA3 -0.221 3.739 3.960 0.001 0.000 0.227 936 G C 0.402 175.297 174.900 -0.007 0.000 1.042 936 G CA 0.232 45.328 45.100 -0.006 0.000 0.623 936 G HN 0.904 nan 8.290 nan 0.000 0.509 937 Q N 0.359 120.155 119.800 -0.006 0.000 2.304 937 Q HA 0.371 4.711 4.340 0.001 0.000 0.301 937 Q C 0.902 176.895 176.000 -0.013 0.000 1.063 937 Q CA 0.949 56.747 55.803 -0.008 0.000 0.947 937 Q CB 1.270 30.003 28.738 -0.007 0.000 1.201 937 Q HN 0.507 nan 8.270 nan 0.000 0.389 938 K N 0.628 121.020 120.400 -0.013 0.000 2.567 938 K HA 0.129 4.450 4.320 0.001 0.000 0.218 938 K C -0.847 175.744 176.600 -0.014 0.000 1.440 938 K CA 0.171 56.449 56.287 -0.015 0.000 0.995 938 K CB 0.876 33.368 32.500 -0.013 0.000 1.186 938 K HN 0.447 nan 8.250 nan 0.000 0.593 939 D N 0.257 120.650 120.400 -0.012 0.000 2.229 939 D HA 0.464 5.104 4.640 0.001 0.000 0.249 939 D C 0.802 177.095 176.300 -0.011 0.000 1.027 939 D CA 0.520 54.514 54.000 -0.010 0.000 0.923 939 D CB 1.097 41.893 40.800 -0.008 0.000 1.174 939 D HN 0.210 nan 8.370 nan 0.000 0.443 940 G N 0.308 109.102 108.800 -0.010 0.000 2.606 940 G HA2 -0.316 3.644 3.960 0.001 0.000 0.285 940 G HA3 -0.316 3.644 3.960 0.001 0.000 0.285 940 G C 1.169 176.061 174.900 -0.015 0.000 1.311 940 G CA 0.183 45.277 45.100 -0.009 0.000 0.922 940 G HN 0.523 nan 8.290 nan 0.000 0.559 941 L N -1.397 119.817 121.223 -0.014 0.000 1.976 941 L HA -0.223 4.118 4.340 0.001 0.000 0.223 941 L C 3.128 179.980 176.870 -0.031 0.000 1.081 941 L CA 2.138 56.965 54.840 -0.021 0.000 0.784 941 L CB -0.629 41.420 42.059 -0.016 0.000 0.896 941 L HN 0.507 nan 8.230 nan 0.000 0.438 942 L N -0.075 121.133 121.223 -0.025 0.000 2.081 942 L HA -0.184 4.156 4.340 0.001 0.000 0.212 942 L C 2.521 179.376 176.870 -0.025 0.000 1.080 942 L CA 2.117 56.941 54.840 -0.026 0.000 0.754 942 L CB -1.620 40.428 42.059 -0.019 0.000 0.893 942 L HN 0.298 nan 8.230 nan 0.000 0.433 943 G N -1.806 106.979 108.800 -0.024 0.000 2.421 943 G HA2 -0.259 3.702 3.960 0.001 0.000 0.216 943 G HA3 -0.259 3.702 3.960 0.001 0.000 0.216 943 G C 1.496 176.373 174.900 -0.039 0.000 1.171 943 G CA 0.497 45.582 45.100 -0.026 0.000 0.775 943 G HN 0.448 nan 8.290 nan 0.000 0.543 944 Q N -0.255 119.516 119.800 -0.047 0.000 2.084 944 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 944 Q C 2.653 178.597 176.000 -0.094 0.000 0.978 944 Q CA 0.919 56.678 55.803 -0.074 0.000 0.844 944 Q CB -0.188 28.499 28.738 -0.084 0.000 0.898 944 Q HN 0.406 nan 8.270 nan 0.000 0.426 945 I N 0.816 121.341 120.570 -0.076 0.000 2.208 945 I HA -0.253 3.918 4.170 0.001 0.000 0.245 945 I C 2.409 178.532 176.117 0.009 0.000 1.097 945 I CA 1.356 62.622 61.300 -0.057 0.000 1.363 945 I CB -1.459 36.505 38.000 -0.061 0.000 1.051 945 I HN 0.140 nan 8.210 nan 0.000 0.413 946 A N 1.133 123.953 122.820 -0.000 0.000 1.908 946 A HA -0.123 4.197 4.320 0.001 0.000 0.218 946 A C 2.482 180.016 177.584 -0.082 0.000 1.181 946 A CA 2.009 54.048 52.037 0.004 0.000 0.627 946 A CB -0.784 18.211 19.000 -0.008 0.000 0.818 946 A HN 0.437 nan 8.150 nan 0.000 0.445 947 A N -1.162 121.603 122.820 -0.091 0.000 2.172 947 A HA 0.140 4.460 4.320 0.001 0.000 0.216 947 A C 1.720 179.203 177.584 -0.168 0.000 1.154 947 A CA 1.216 53.185 52.037 -0.112 0.000 0.701 947 A CB -0.511 18.440 19.000 -0.082 0.000 0.789 947 A HN 0.530 nan 8.150 nan 0.000 0.465 948 M N 0.006 119.475 119.600 -0.219 0.000 2.655 948 M HA 0.044 4.525 4.480 0.001 0.000 0.311 948 M C 1.553 177.486 176.300 -0.612 0.000 1.229 948 M CA 0.443 55.574 55.300 -0.282 0.000 0.972 948 M CB 0.277 32.756 32.600 -0.202 0.000 1.366 948 M HN 0.474 nan 8.290 nan 0.000 0.500 949 S N 0.231 115.407 115.700 -0.873 0.000 2.442 949 S HA -0.162 4.309 4.470 0.001 0.000 0.236 949 S C 1.285 175.362 174.600 -0.871 0.000 1.007 949 S CA 1.508 58.708 58.200 -1.668 0.000 0.965 949 S CB -0.497 62.161 63.200 -0.902 0.000 0.773 949 S HN 0.616 nan 8.310 nan 0.000 0.504 950 D N 1.163 121.303 120.400 -0.433 0.000 2.352 950 D HA 0.020 4.660 4.640 0.001 0.000 0.232 950 D C 1.235 177.468 176.300 -0.112 0.000 1.055 950 D CA 0.232 54.106 54.000 -0.209 0.000 0.891 950 D CB -0.409 40.313 40.800 -0.130 0.000 0.897 950 D HN 0.516 nan 8.370 nan 0.000 0.529 951 L N -1.364 119.766 121.223 -0.154 0.000 2.817 951 L HA 0.200 4.540 4.340 0.001 0.000 0.248 951 L C 1.696 178.696 176.870 0.217 0.000 1.133 951 L CA -0.371 54.492 54.840 0.038 0.000 0.935 951 L CB -0.083 41.988 42.059 0.021 0.000 1.266 951 L HN -0.044 nan 8.230 nan 0.000 0.535 952 Y N 0.920 121.235 120.300 0.026 0.000 2.030 952 Y HA -0.236 4.315 4.550 0.000 0.000 0.274 952 Y C 1.971 178.127 175.900 0.426 0.000 1.153 952 Y CA 1.208 59.365 58.100 0.094 0.000 1.115 952 Y CB -0.335 38.098 38.460 -0.044 0.000 0.969 952 Y HN 0.165 nan 8.280 nan 0.000 0.488 953 T N 0.876 115.686 114.554 0.427 0.000 2.869 953 T HA 0.162 4.512 4.350 0.001 0.000 0.295 953 T C -0.404 174.452 174.700 0.261 0.000 0.987 953 T CA -1.059 61.239 62.100 0.330 0.000 1.109 953 T CB 1.246 70.249 68.868 0.226 0.000 0.932 953 T HN 0.010 nan 8.240 nan 0.000 0.518 954 K N 3.565 124.093 120.400 0.213 0.000 2.530 954 K HA 0.061 4.382 4.320 0.001 0.000 0.280 954 K C 0.021 176.721 176.600 0.167 0.000 1.004 954 K CA 0.489 56.871 56.287 0.158 0.000 1.071 954 K CB 0.246 32.803 32.500 0.095 0.000 0.876 954 K HN 0.516 nan 8.250 nan 0.000 0.487 955 K N 2.233 122.745 120.400 0.186 0.000 2.106 955 K HA 0.262 4.582 4.320 0.001 0.000 0.246 955 K C -0.506 176.215 176.600 0.202 0.000 0.987 955 K CA -0.584 55.847 56.287 0.239 0.000 0.904 955 K CB 1.755 34.510 32.500 0.424 0.000 1.071 955 K HN 0.549 nan 8.250 nan 0.000 0.453 956 S N 0.897 116.748 115.700 0.251 0.000 2.566 956 S HA 0.320 4.790 4.470 0.001 0.000 0.324 956 S C -0.886 173.898 174.600 0.307 0.000 1.081 956 S CA -0.698 57.629 58.200 0.210 0.000 1.105 956 S CB 0.472 63.830 63.200 0.263 0.000 0.981 956 S HN 0.237 nan 8.310 nan 0.000 0.464 957 V N 6.069 126.026 119.914 0.072 0.000 2.385 957 V HA 0.441 4.562 4.120 0.001 0.000 0.269 957 V C -0.720 175.297 176.094 -0.128 0.000 1.043 957 V CA -0.421 61.897 62.300 0.030 0.000 0.906 957 V CB 0.257 32.001 31.823 -0.131 0.000 0.995 957 V HN 0.841 nan 8.190 nan 0.000 0.467 958 W N 4.808 126.074 121.300 -0.056 0.000 2.666 958 W HA 0.737 5.397 4.660 0.000 0.000 0.334 958 W C -0.441 175.993 176.519 -0.141 0.000 1.051 958 W CA -0.573 56.733 57.345 -0.065 0.000 1.224 958 W CB 1.602 30.985 29.460 -0.127 0.000 1.405 958 W HN 0.337 nan 8.180 nan 0.000 0.513 959 I N 3.749 124.454 120.570 0.225 0.000 2.382 959 I HA 0.346 4.516 4.170 0.001 0.000 0.286 959 I C -0.571 175.792 176.117 0.411 0.000 1.002 959 I CA -0.557 60.824 61.300 0.135 0.000 1.135 959 I CB 0.676 38.756 38.000 0.133 0.000 1.288 959 I HN 0.210 nan 8.210 nan 0.000 0.448 960 F N 3.721 123.685 119.950 0.024 0.000 2.425 960 F HA 0.815 5.343 4.527 0.001 0.000 0.331 960 F C 0.809 176.480 175.800 -0.216 0.000 1.085 960 F CA -0.829 57.229 58.000 0.097 0.000 1.028 960 F CB 2.301 41.413 39.000 0.186 0.000 1.177 960 F HN 0.504 nan 8.300 nan 0.000 0.487 961 G N 0.818 109.700 108.800 0.136 0.000 2.411 961 G HA2 0.435 4.395 3.960 0.001 0.000 0.295 961 G HA3 0.435 4.395 3.960 0.001 0.000 0.295 961 G C -1.199 173.941 174.900 0.400 0.000 1.542 961 G CA -0.511 44.633 45.100 0.073 0.000 0.814 961 G HN 0.915 nan 8.290 nan 0.000 0.557 962 G N -0.839 108.223 108.800 0.437 0.000 2.535 962 G HA2 0.469 4.429 3.960 0.001 0.000 0.282 962 G HA3 0.469 4.429 3.960 0.001 0.000 0.282 962 G C 0.908 176.103 174.900 0.490 0.000 1.350 962 G CA 0.590 45.921 45.100 0.385 0.000 1.039 962 G HN 0.731 nan 8.290 nan 0.000 0.509 963 D N -0.845 119.773 120.400 0.363 0.000 2.183 963 D HA -0.078 4.562 4.640 0.001 0.000 0.203 963 D C 2.194 178.749 176.300 0.425 0.000 0.969 963 D CA 1.181 55.396 54.000 0.359 0.000 0.842 963 D CB -0.708 40.103 40.800 0.019 0.000 0.957 963 D HN 0.462 nan 8.370 nan 0.000 0.484 964 G N 0.562 109.665 108.800 0.505 0.000 2.446 964 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 964 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 964 G C 1.400 176.584 174.900 0.473 0.000 1.168 964 G CA 0.857 46.370 45.100 0.688 0.000 0.771 964 G HN 0.424 nan 8.290 nan 0.000 0.551 965 W N 1.893 123.395 121.300 0.337 0.000 2.354 965 W HA 0.082 4.742 4.660 0.000 0.000 0.315 965 W C 2.666 179.261 176.519 0.126 0.000 1.206 965 W CA 2.419 59.812 57.345 0.079 0.000 1.290 965 W CB -0.482 29.100 29.460 0.204 0.000 1.152 965 W HN 0.245 nan 8.180 nan 0.000 0.489 966 A N -0.937 121.724 122.820 -0.264 0.000 1.898 966 A HA -0.155 4.166 4.320 0.001 0.000 0.216 966 A C 1.804 179.241 177.584 -0.244 0.000 1.181 966 A CA 1.681 53.356 52.037 -0.604 0.000 0.620 966 A CB -1.291 17.606 19.000 -0.171 0.000 0.819 966 A HN 0.507 nan 8.150 nan 0.000 0.442 967 Y N -0.181 120.030 120.300 -0.147 0.000 2.490 967 Y HA 0.063 4.614 4.550 0.001 0.000 0.285 967 Y C 1.542 177.352 175.900 -0.151 0.000 1.117 967 Y CA 0.649 58.631 58.100 -0.197 0.000 1.262 967 Y CB 0.085 38.489 38.460 -0.093 0.000 1.043 967 Y HN 0.315 nan 8.280 nan 0.000 0.553 968 D N -1.025 119.456 120.400 0.136 0.000 3.066 968 D HA 0.031 4.671 4.640 0.001 0.000 0.225 968 D C 2.034 178.335 176.300 0.002 0.000 1.397 968 D CA -0.087 53.990 54.000 0.128 0.000 1.344 968 D CB -0.825 40.170 40.800 0.326 0.000 0.934 968 D HN 0.041 nan 8.370 nan 0.000 0.202 969 I N 1.036 121.555 120.570 -0.084 0.000 2.151 969 I HA -0.182 3.988 4.170 0.001 0.000 0.243 969 I C 1.641 177.588 176.117 -0.283 0.000 1.080 969 I CA 1.993 63.128 61.300 -0.275 0.000 1.339 969 I CB -0.033 37.642 38.000 -0.540 0.000 1.039 969 I HN 0.175 nan 8.210 nan 0.000 0.409 970 G N -1.657 106.908 108.800 -0.391 0.000 3.189 970 G HA2 -0.178 3.782 3.960 0.001 0.000 0.225 970 G HA3 -0.178 3.782 3.960 0.001 0.000 0.225 970 G C 1.119 175.762 174.900 -0.427 0.000 1.159 970 G CA -0.112 44.752 45.100 -0.393 0.000 0.763 970 G HN 0.434 nan 8.290 nan 0.000 0.549 971 Y N 2.104 122.140 120.300 -0.440 0.000 2.128 971 Y HA -0.127 4.423 4.550 0.001 0.000 0.284 971 Y C 2.545 178.312 175.900 -0.220 0.000 1.154 971 Y CA 1.681 59.571 58.100 -0.349 0.000 1.149 971 Y CB -0.568 37.747 38.460 -0.241 0.000 0.976 971 Y HN 0.121 nan 8.280 nan 0.000 0.505 972 G N -0.780 107.801 108.800 -0.367 0.000 2.442 972 G HA2 -0.256 3.704 3.960 0.001 0.000 0.219 972 G HA3 -0.256 3.704 3.960 0.001 0.000 0.219 972 G C 1.895 176.628 174.900 -0.279 0.000 1.141 972 G CA 0.879 45.761 45.100 -0.363 0.000 0.763 972 G HN 0.638 nan 8.290 nan 0.000 0.554 973 G N 0.625 109.303 108.800 -0.204 0.000 2.394 973 G HA2 -0.038 3.922 3.960 0.001 0.000 0.215 973 G HA3 -0.038 3.922 3.960 0.001 0.000 0.215 973 G C 1.721 176.559 174.900 -0.103 0.000 1.165 973 G CA 0.930 45.963 45.100 -0.111 0.000 0.784 973 G HN 0.414 nan 8.290 nan 0.000 0.535 974 L N 1.267 122.391 121.223 -0.166 0.000 2.017 974 L HA -0.039 4.301 4.340 0.001 0.000 0.208 974 L C 2.231 178.989 176.870 -0.187 0.000 1.073 974 L CA 2.791 57.548 54.840 -0.137 0.000 0.745 974 L CB -0.783 41.104 42.059 -0.286 0.000 0.894 974 L HN 0.296 nan 8.230 nan 0.000 0.432 975 D N -1.598 118.597 120.400 -0.342 0.000 2.104 975 D HA -0.311 4.329 4.640 0.001 0.000 0.194 975 D C 2.267 178.439 176.300 -0.214 0.000 0.994 975 D CA 1.750 55.566 54.000 -0.306 0.000 0.830 975 D CB -0.313 40.166 40.800 -0.535 0.000 0.959 975 D HN 0.593 nan 8.370 nan 0.000 0.452 976 H N -0.340 118.564 119.070 -0.277 0.000 2.353 976 H HA -0.067 4.489 4.556 0.001 0.000 0.300 976 H C 2.080 177.205 175.328 -0.339 0.000 1.090 976 H CA 1.471 57.360 56.048 -0.266 0.000 1.327 976 H CB -0.000 29.613 29.762 -0.248 0.000 1.383 976 H HN 0.118 nan 8.280 nan 0.000 0.508 977 V N 1.260 121.012 119.914 -0.269 0.000 2.427 977 V HA -0.225 3.895 4.120 0.001 0.000 0.248 977 V C 2.889 178.819 176.094 -0.274 0.000 1.051 977 V CA 1.158 63.223 62.300 -0.392 0.000 1.048 977 V CB -0.443 31.255 31.823 -0.209 0.000 0.666 977 V HN 0.334 nan 8.190 nan 0.000 0.456 978 L N 0.089 121.178 121.223 -0.222 0.000 2.141 978 L HA -0.082 4.259 4.340 0.001 0.000 0.209 978 L C 2.575 179.256 176.870 -0.315 0.000 1.094 978 L CA 1.397 56.119 54.840 -0.195 0.000 0.763 978 L CB -0.677 41.274 42.059 -0.179 0.000 0.908 978 L HN 0.361 nan 8.230 nan 0.000 0.437 979 A N -0.110 122.398 122.820 -0.520 0.000 2.168 979 A HA -0.121 4.199 4.320 0.001 0.000 0.215 979 A C 2.448 179.900 177.584 -0.220 0.000 1.152 979 A CA 1.250 52.961 52.037 -0.544 0.000 0.716 979 A CB -0.417 18.214 19.000 -0.614 0.000 0.794 979 A HN 0.506 nan 8.150 nan 0.000 0.465 980 S N -1.349 114.170 115.700 -0.301 0.000 2.423 980 S HA 0.213 4.684 4.470 0.001 0.000 0.231 980 S C 1.697 176.234 174.600 -0.106 0.000 1.014 980 S CA 1.393 59.451 58.200 -0.237 0.000 0.965 980 S CB -0.634 62.400 63.200 -0.277 0.000 0.785 980 S HN 1.876 nan 8.310 nan 0.000 0.495 981 G N 0.830 109.617 108.800 -0.021 0.000 2.179 981 G HA2 -0.235 3.726 3.960 0.001 0.000 0.260 981 G HA3 -0.235 3.726 3.960 0.001 0.000 0.260 981 G C -0.134 174.762 174.900 -0.007 0.000 0.977 981 G CA 0.309 45.395 45.100 -0.024 0.000 0.641 981 G HN 0.637 nan 8.290 nan 0.000 0.533 982 E N 0.460 120.682 120.200 0.037 0.000 2.345 982 E HA 0.325 4.676 4.350 0.001 0.000 0.259 982 E C -0.553 176.055 176.600 0.013 0.000 1.117 982 E CA -0.543 55.870 56.400 0.020 0.000 0.913 982 E CB 0.710 30.466 29.700 0.094 0.000 1.057 982 E HN 0.132 nan 8.360 nan 0.000 0.432 983 D N 1.828 122.204 120.400 -0.041 0.000 2.455 983 D HA 0.146 4.786 4.640 0.001 0.000 0.234 983 D C -1.015 175.238 176.300 -0.078 0.000 1.224 983 D CA -0.192 53.769 54.000 -0.064 0.000 0.999 983 D CB -0.257 40.492 40.800 -0.084 0.000 1.072 983 D HN 0.271 nan 8.370 nan 0.000 0.514 984 V N 0.881 120.754 119.914 -0.068 0.000 3.114 984 V HA 0.664 4.784 4.120 0.001 0.000 0.308 984 V C -1.011 174.959 176.094 -0.208 0.000 1.168 984 V CA -1.070 61.151 62.300 -0.130 0.000 1.015 984 V CB 2.383 34.193 31.823 -0.021 0.000 1.050 984 V HN 0.318 nan 8.190 nan 0.000 0.433 985 N N 1.767 120.205 118.700 -0.437 0.000 2.354 985 N HA 0.602 5.342 4.740 0.001 0.000 0.287 985 N C -1.051 174.302 175.510 -0.261 0.000 1.016 985 N CA -0.278 52.399 53.050 -0.621 0.000 0.871 985 N CB 2.522 39.939 38.487 -1.783 0.000 1.299 985 N HN 1.029 nan 8.380 nan 0.000 0.482 986 V N 1.296 121.245 119.914 0.059 0.000 2.495 986 V HA 0.645 4.765 4.120 0.001 0.000 0.298 986 V C -1.380 175.049 176.094 0.559 0.000 1.031 986 V CA -0.665 61.849 62.300 0.357 0.000 0.871 986 V CB 1.228 33.279 31.823 0.379 0.000 0.988 986 V HN 0.507 nan 8.190 nan 0.000 0.432 987 F N 6.400 126.698 119.950 0.580 0.000 2.403 987 F HA 0.745 5.272 4.527 0.000 0.000 0.355 987 F C -0.511 175.526 175.800 0.394 0.000 1.119 987 F CA -0.779 57.528 58.000 0.512 0.000 1.007 987 F CB 1.744 41.089 39.000 0.574 0.000 1.194 987 F HN 0.481 nan 8.300 nan 0.000 0.443 988 V N 7.711 127.520 119.914 -0.174 0.000 2.370 988 V HA 0.311 4.432 4.120 0.001 0.000 0.279 988 V C 0.006 175.867 176.094 -0.388 0.000 1.029 988 V CA -0.564 61.702 62.300 -0.057 0.000 0.870 988 V CB 1.325 33.263 31.823 0.191 0.000 0.984 988 V HN 0.707 nan 8.190 nan 0.000 0.451 989 M N 4.429 123.890 119.600 -0.232 0.000 2.094 989 M HA 0.321 4.801 4.480 0.001 0.000 0.348 989 M C -0.241 176.050 176.300 -0.016 0.000 1.267 989 M CA -0.047 55.129 55.300 -0.206 0.000 1.125 989 M CB 0.513 33.102 32.600 -0.019 0.000 1.527 989 M HN 0.470 nan 8.290 nan 0.000 0.447 990 D N 2.357 122.735 120.400 -0.038 0.000 2.380 990 D HA 0.132 4.772 4.640 0.001 0.000 0.230 990 D C 0.757 176.967 176.300 -0.149 0.000 1.154 990 D CA 0.038 54.052 54.000 0.024 0.000 0.859 990 D CB 1.083 42.026 40.800 0.239 0.000 1.045 990 D HN 0.691 nan 8.370 nan 0.000 0.495 991 T N -0.087 114.419 114.554 -0.080 0.000 3.069 991 T HA 0.081 4.431 4.350 0.001 0.000 0.252 991 T C 0.533 175.174 174.700 -0.099 0.000 1.053 991 T CA -0.282 61.737 62.100 -0.134 0.000 0.964 991 T CB -0.165 68.682 68.868 -0.036 0.000 1.005 991 T HN 0.576 nan 8.240 nan 0.000 0.532 992 E N -0.445 119.718 120.200 -0.061 0.000 2.586 992 E HA -0.136 4.214 4.350 0.001 0.000 0.259 992 E C -0.439 176.128 176.600 -0.054 0.000 1.107 992 E CA 0.339 56.715 56.400 -0.039 0.000 0.754 992 E CB -2.074 27.670 29.700 0.073 0.000 1.335 992 E HN 0.512 nan 8.360 nan 0.000 0.411 993 V N -0.330 119.565 119.914 -0.031 0.000 3.265 993 V HA 0.195 4.316 4.120 0.001 0.000 0.275 993 V C -1.740 174.431 176.094 0.129 0.000 1.684 993 V CA -0.963 61.318 62.300 -0.032 0.000 1.032 993 V CB 1.446 33.245 31.823 -0.041 0.000 1.250 993 V HN 0.126 nan 8.190 nan 0.000 0.468 994 Y N 3.273 123.584 120.300 0.018 0.000 2.613 994 Y HA 0.372 4.923 4.550 0.001 0.000 0.354 994 Y C 1.489 177.388 175.900 -0.001 0.000 1.063 994 Y CA 0.205 58.322 58.100 0.028 0.000 1.384 994 Y CB 0.691 39.154 38.460 0.004 0.000 1.199 994 Y HN 0.673 nan 8.280 nan 0.000 0.517 995 S N 2.408 118.201 115.700 0.154 0.000 2.325 995 S HA -0.227 4.243 4.470 0.001 0.000 0.213 995 S C 2.004 176.634 174.600 0.050 0.000 1.031 995 S CA 1.426 59.675 58.200 0.083 0.000 0.984 995 S CB -0.292 62.957 63.200 0.082 0.000 0.939 995 S HN 0.883 nan 8.310 nan 0.000 0.438 996 N N 1.882 120.601 118.700 0.031 0.000 2.091 996 N HA -0.200 4.540 4.740 0.001 0.000 0.193 996 N C 1.374 176.864 175.510 -0.032 0.000 1.021 996 N CA 2.561 55.608 53.050 -0.004 0.000 0.862 996 N CB -0.867 37.597 38.487 -0.038 0.000 1.018 996 N HN 0.494 nan 8.380 nan 0.000 0.429 997 T N -5.340 109.184 114.554 -0.049 0.000 3.160 997 T HA 0.336 4.686 4.350 0.001 0.000 0.257 997 T C 1.333 176.024 174.700 -0.015 0.000 1.147 997 T CA 0.344 62.413 62.100 -0.052 0.000 1.064 997 T CB -0.057 68.758 68.868 -0.087 0.000 0.949 997 T HN 0.570 nan 8.240 nan 0.000 0.526 998 G N 0.069 108.870 108.800 0.001 0.000 2.174 998 G HA2 0.320 4.280 3.960 0.001 0.000 0.140 998 G HA3 0.320 4.280 3.960 0.001 0.000 0.140 998 G C 0.701 175.595 174.900 -0.010 0.000 1.031 998 G CA -0.096 44.996 45.100 -0.012 0.000 0.728 998 G HN 1.476 nan 8.290 nan 0.000 0.496 999 G N -0.910 107.902 108.800 0.020 0.000 2.212 999 G HA2 -0.059 3.901 3.960 0.001 0.000 0.255 999 G HA3 -0.059 3.901 3.960 0.001 0.000 0.255 999 G C 0.125 175.016 174.900 -0.014 0.000 1.062 999 G CA 0.802 45.900 45.100 -0.004 0.000 0.815 999 G HN 1.027 nan 8.290 nan 0.000 0.497 1000 Q N 0.248 120.078 119.800 0.049 0.000 2.306 1000 Q HA 0.630 4.970 4.340 0.001 0.000 0.241 1000 Q C 0.845 176.727 176.000 -0.197 0.000 0.948 1000 Q CA 0.265 56.094 55.803 0.044 0.000 0.886 1000 Q CB 1.289 30.168 28.738 0.236 0.000 1.227 1000 Q HN 0.446 nan 8.270 nan 0.000 0.457 1001 S N 0.900 116.507 115.700 -0.156 0.000 2.572 1001 S HA 0.402 4.873 4.470 0.001 0.000 0.279 1001 S C -0.266 173.997 174.600 -0.563 0.000 1.341 1001 S CA -0.035 58.015 58.200 -0.251 0.000 1.043 1001 S CB 0.138 63.285 63.200 -0.087 0.000 0.887 1001 S HN 0.638 nan 8.310 nan 0.000 0.516 1002 S N 3.183 118.614 115.700 -0.448 0.000 2.704 1002 S HA 0.507 4.977 4.470 0.001 0.000 0.296 1002 S C 0.232 174.730 174.600 -0.169 0.000 1.138 1002 S CA -1.001 56.957 58.200 -0.404 0.000 0.875 1002 S CB 1.212 64.239 63.200 -0.289 0.000 1.151 1002 S HN 0.733 nan 8.310 nan 0.000 0.500 1003 K N 0.169 120.531 120.400 -0.064 0.000 2.515 1003 K HA 0.071 4.391 4.320 0.001 0.000 0.196 1003 K C 1.585 178.117 176.600 -0.114 0.000 1.038 1003 K CA 0.869 57.137 56.287 -0.032 0.000 0.967 1003 K CB -0.375 32.151 32.500 0.043 0.000 0.780 1003 K HN 0.666 nan 8.250 nan 0.000 0.483 1004 A N 0.963 123.575 122.820 -0.347 0.000 2.178 1004 A HA 0.027 4.348 4.320 0.001 0.000 0.211 1004 A C 0.758 178.219 177.584 -0.205 0.000 1.157 1004 A CA 0.228 51.905 52.037 -0.601 0.000 0.780 1004 A CB 0.036 18.335 19.000 -1.168 0.000 0.828 1004 A HN 0.073 nan 8.150 nan 0.000 0.476 1005 T N 3.733 118.210 114.554 -0.128 0.000 2.888 1005 T HA 0.330 4.680 4.350 0.001 0.000 0.301 1005 T C -2.321 172.406 174.700 0.046 0.000 1.001 1005 T CA -0.607 61.473 62.100 -0.034 0.000 1.147 1005 T CB 0.986 69.810 68.868 -0.073 0.000 0.931 1005 T HN 0.296 nan 8.240 nan 0.000 0.541 1006 P HA 0.161 nan 4.420 nan 0.000 0.276 1006 P C -0.277 177.158 177.300 0.225 0.000 1.252 1006 P CA -0.543 62.696 63.100 0.231 0.000 0.802 1006 P CB 0.407 32.377 31.700 0.450 0.000 1.035 1007 T N 0.912 115.593 114.554 0.211 0.000 2.905 1007 T HA 0.249 4.600 4.350 0.001 0.000 0.299 1007 T C 1.444 176.309 174.700 0.275 0.000 1.024 1007 T CA 1.949 64.161 62.100 0.186 0.000 1.151 1007 T CB -0.837 68.123 68.868 0.154 0.000 0.987 1007 T HN 0.824 nan 8.240 nan 0.000 0.535 1008 G N 2.146 111.066 108.800 0.200 0.000 2.184 1008 G HA2 -0.145 3.816 3.960 0.001 0.000 0.264 1008 G HA3 -0.145 3.816 3.960 0.001 0.000 0.264 1008 G C 0.284 175.310 174.900 0.210 0.000 0.975 1008 G CA 0.031 45.271 45.100 0.233 0.000 0.642 1008 G HN 1.204 nan 8.290 nan 0.000 0.536 1009 A N -0.013 122.860 122.820 0.087 0.000 2.401 1009 A HA 0.682 5.002 4.320 0.001 0.000 0.259 1009 A C 0.522 177.986 177.584 -0.199 0.000 1.103 1009 A CA 0.165 52.004 52.037 -0.330 0.000 0.789 1009 A CB 1.075 19.873 19.000 -0.336 0.000 1.035 1009 A HN 1.090 nan 8.150 nan 0.000 0.491 1010 V N 1.816 121.584 119.914 -0.244 0.000 2.498 1010 V HA 0.622 4.742 4.120 0.001 0.000 0.279 1010 V C 0.612 176.613 176.094 -0.154 0.000 1.048 1010 V CA 0.776 62.990 62.300 -0.142 0.000 0.967 1010 V CB 0.589 32.351 31.823 -0.102 0.000 0.988 1010 V HN 1.339 nan 8.190 nan 0.000 0.473 1011 A N 5.113 127.860 122.820 -0.122 0.000 2.610 1011 A HA 0.721 5.041 4.320 0.001 0.000 0.291 1011 A C -1.001 176.499 177.584 -0.140 0.000 1.086 1011 A CA -1.025 50.938 52.037 -0.123 0.000 0.677 1011 A CB 1.287 20.220 19.000 -0.113 0.000 1.278 1011 A HN 0.521 nan 8.150 nan 0.000 0.414 1012 K N 0.472 120.765 120.400 -0.179 0.000 2.484 1012 K HA 0.299 4.619 4.320 0.001 0.000 0.280 1012 K C -0.420 175.999 176.600 -0.302 0.000 1.013 1012 K CA 0.623 56.675 56.287 -0.391 0.000 1.029 1012 K CB -0.847 31.386 32.500 -0.445 0.000 0.902 1012 K HN 0.956 nan 8.250 nan 0.000 0.481 1013 F N -1.065 118.844 119.950 -0.069 0.000 2.746 1013 F HA -0.303 4.224 4.527 0.001 0.000 0.315 1013 F C 0.522 176.289 175.800 -0.056 0.000 0.666 1013 F CA 0.792 58.761 58.000 -0.052 0.000 1.381 1013 F CB -1.712 37.255 39.000 -0.055 0.000 1.739 1013 F HN 0.606 nan 8.300 nan 0.000 0.322 1014 A N -0.452 122.367 122.820 -0.002 0.000 3.165 1014 A HA 0.776 5.096 4.320 0.001 0.000 0.212 1014 A C 0.821 178.370 177.584 -0.058 0.000 0.935 1014 A CA 0.255 52.281 52.037 -0.018 0.000 1.100 1014 A CB -0.310 18.675 19.000 -0.024 0.000 1.260 1014 A HN 0.740 nan 8.150 nan 0.000 0.532 1015 A N -0.510 122.266 122.820 -0.073 0.000 2.239 1015 A HA 0.444 4.764 4.320 0.001 0.000 0.209 1015 A C 1.453 179.008 177.584 -0.048 0.000 1.171 1015 A CA 1.461 53.457 52.037 -0.069 0.000 0.768 1015 A CB -0.146 18.806 19.000 -0.080 0.000 0.790 1015 A HN 1.573 nan 8.150 nan 0.000 0.478 1016 A N -1.287 121.480 122.820 -0.090 0.000 2.624 1016 A HA 0.541 4.861 4.320 0.001 0.000 0.287 1016 A C 0.879 178.397 177.584 -0.111 0.000 1.087 1016 A CA 0.550 52.473 52.037 -0.189 0.000 0.964 1016 A CB -0.522 18.288 19.000 -0.316 0.000 1.231 1016 A HN 1.968 nan 8.150 nan 0.000 0.551 1017 G N 0.255 109.026 108.800 -0.047 0.000 3.039 1017 G HA2 -0.084 3.876 3.960 0.001 0.000 0.686 1017 G HA3 -0.084 3.876 3.960 0.001 0.000 0.686 1017 G C -0.419 174.477 174.900 -0.005 0.000 1.066 1017 G CA -0.238 44.856 45.100 -0.010 0.000 0.774 1017 G HN 0.658 nan 8.290 nan 0.000 0.591 1018 K N 1.180 121.585 120.400 0.009 0.000 2.451 1018 K HA 0.260 4.580 4.320 0.001 0.000 0.280 1018 K C 1.037 177.657 176.600 0.033 0.000 1.020 1018 K CA -0.233 56.065 56.287 0.017 0.000 1.008 1018 K CB 0.260 32.772 32.500 0.020 0.000 0.917 1018 K HN 0.376 nan 8.250 nan 0.000 0.478 1019 R N 2.152 122.665 120.500 0.022 0.000 2.427 1019 R HA 0.081 4.421 4.340 0.001 0.000 0.262 1019 R C -0.240 176.077 176.300 0.028 0.000 0.943 1019 R CA 0.054 56.169 56.100 0.025 0.000 1.081 1019 R CB -0.007 30.299 30.300 0.010 0.000 1.166 1019 R HN 0.752 nan 8.270 nan 0.000 0.534 1020 T N -3.188 111.384 114.554 0.030 0.000 2.900 1020 T HA 0.707 5.057 4.350 0.001 0.000 0.295 1020 T C 0.475 175.197 174.700 0.037 0.000 1.044 1020 T CA -0.802 61.315 62.100 0.027 0.000 0.995 1020 T CB 2.783 71.661 68.868 0.016 0.000 1.072 1020 T HN 0.078 nan 8.240 nan 0.000 0.473 1021 G N 0.604 109.426 108.800 0.035 0.000 2.580 1021 G HA2 0.445 4.405 3.960 0.001 0.000 0.278 1021 G HA3 0.445 4.405 3.960 0.001 0.000 0.278 1021 G C -0.394 174.525 174.900 0.033 0.000 1.212 1021 G CA -0.991 44.135 45.100 0.043 0.000 0.939 1021 G HN 0.965 nan 8.290 nan 0.000 0.513 1022 K N 0.137 120.560 120.400 0.039 0.000 2.484 1022 K HA 0.033 4.353 4.320 0.001 0.000 0.280 1022 K C 0.646 177.272 176.600 0.044 0.000 1.013 1022 K CA -0.085 56.223 56.287 0.036 0.000 1.029 1022 K CB 0.336 32.859 32.500 0.040 0.000 0.902 1022 K HN 0.471 nan 8.250 nan 0.000 0.481 1023 K N 3.496 123.945 120.400 0.082 0.000 2.401 1023 K HA -0.072 4.248 4.320 0.001 0.000 0.278 1023 K C -0.430 176.228 176.600 0.097 0.000 1.018 1023 K CA -0.104 56.228 56.287 0.075 0.000 0.981 1023 K CB 0.602 33.169 32.500 0.111 0.000 0.933 1023 K HN 0.478 nan 8.250 nan 0.000 0.477 1024 D N 5.501 125.889 120.400 -0.020 0.000 2.563 1024 D HA 0.014 4.654 4.640 0.001 0.000 0.222 1024 D C 0.972 177.193 176.300 -0.131 0.000 1.145 1024 D CA -0.229 53.739 54.000 -0.053 0.000 1.001 1024 D CB 0.269 41.017 40.800 -0.087 0.000 1.049 1024 D HN 0.580 nan 8.370 nan 0.000 0.515 1025 L N 3.390 124.485 121.223 -0.214 0.000 2.043 1025 L HA -0.158 4.182 4.340 0.001 0.000 0.212 1025 L C 2.042 178.793 176.870 -0.199 0.000 1.075 1025 L CA 2.308 56.920 54.840 -0.381 0.000 0.752 1025 L CB -0.534 41.018 42.059 -0.844 0.000 0.891 1025 L HN 0.295 nan 8.230 nan 0.000 0.432 1026 A N -0.238 122.512 122.820 -0.116 0.000 1.865 1026 A HA -0.239 4.082 4.320 0.001 0.000 0.217 1026 A C 2.398 179.927 177.584 -0.090 0.000 1.191 1026 A CA 2.017 54.042 52.037 -0.019 0.000 0.623 1026 A CB -0.635 18.471 19.000 0.178 0.000 0.826 1026 A HN 0.528 nan 8.150 nan 0.000 0.444 1027 R N -1.148 119.268 120.500 -0.140 0.000 2.152 1027 R HA -0.046 4.294 4.340 0.001 0.000 0.232 1027 R C 2.221 178.383 176.300 -0.230 0.000 1.117 1027 R CA 1.448 57.405 56.100 -0.238 0.000 0.981 1027 R CB -0.417 29.734 30.300 -0.247 0.000 0.870 1027 R HN 0.583 nan 8.270 nan 0.000 0.451 1028 M N 0.209 119.701 119.600 -0.179 0.000 2.099 1028 M HA -0.127 4.353 4.480 0.001 0.000 0.262 1028 M C 2.414 178.611 176.300 -0.171 0.000 1.067 1028 M CA 1.533 56.734 55.300 -0.165 0.000 1.124 1028 M CB -0.248 32.289 32.600 -0.106 0.000 1.353 1028 M HN 0.109 nan 8.290 nan 0.000 0.410 1029 V N -1.280 118.572 119.914 -0.104 0.000 3.217 1029 V HA -0.074 4.046 4.120 0.001 0.000 0.264 1029 V C 1.739 177.748 176.094 -0.143 0.000 1.135 1029 V CA 1.094 63.384 62.300 -0.016 0.000 1.142 1029 V CB -0.521 31.333 31.823 0.052 0.000 0.754 1029 V HN 0.456 nan 8.190 nan 0.000 0.484 1030 M N 1.547 120.960 119.600 -0.312 0.000 2.557 1030 M HA -0.064 4.416 4.480 0.001 0.000 0.259 1030 M C 2.115 178.083 176.300 -0.554 0.000 1.086 1030 M CA 1.762 56.697 55.300 -0.608 0.000 1.096 1030 M CB -0.394 31.784 32.600 -0.704 0.000 1.424 1030 M HN 0.748 nan 8.290 nan 0.000 0.488 1031 T N -2.603 111.706 114.554 -0.407 0.000 3.035 1031 T HA -0.129 4.221 4.350 0.001 0.000 0.268 1031 T C 1.388 175.873 174.700 -0.357 0.000 1.109 1031 T CA 0.858 62.735 62.100 -0.372 0.000 1.119 1031 T CB -0.489 68.146 68.868 -0.388 0.000 0.900 1031 T HN 0.302 nan 8.240 nan 0.000 0.503 1032 Y N 2.205 122.306 120.300 -0.333 0.000 2.200 1032 Y HA 0.229 4.780 4.550 0.000 0.000 0.290 1032 Y C 2.614 178.314 175.900 -0.334 0.000 1.137 1032 Y CA 0.837 58.675 58.100 -0.436 0.000 1.163 1032 Y CB -0.774 37.227 38.460 -0.766 0.000 0.988 1032 Y HN 0.452 nan 8.280 nan 0.000 0.518 1033 G N -1.047 107.693 108.800 -0.099 0.000 2.299 1033 G HA2 -0.376 3.585 3.960 0.001 0.000 0.237 1033 G HA3 -0.376 3.585 3.960 0.001 0.000 0.237 1033 G C 0.719 175.774 174.900 0.258 0.000 1.027 1033 G CA 0.497 45.685 45.100 0.147 0.000 0.619 1033 G HN 0.554 nan 8.290 nan 0.000 0.513 1034 Y N 0.215 120.679 120.300 0.274 0.000 2.607 1034 Y HA 0.765 5.316 4.550 0.001 0.000 0.266 1034 Y C 0.276 176.361 175.900 0.308 0.000 1.178 1034 Y CA -0.999 57.294 58.100 0.321 0.000 1.226 1034 Y CB -0.094 38.663 38.460 0.494 0.000 1.144 1034 Y HN 0.215 nan 8.280 nan 0.000 0.528 1035 V N 1.774 121.753 119.914 0.109 0.000 2.459 1035 V HA 0.183 4.303 4.120 0.001 0.000 0.295 1035 V C -0.871 175.203 176.094 -0.034 0.000 1.029 1035 V CA -1.253 61.109 62.300 0.104 0.000 0.874 1035 V CB 1.275 33.073 31.823 -0.042 0.000 0.985 1035 V HN 0.328 nan 8.190 nan 0.000 0.438 1036 Y N 5.115 125.224 120.300 -0.317 0.000 2.402 1036 Y HA 0.528 5.078 4.550 0.000 0.000 0.333 1036 Y C -0.297 175.559 175.900 -0.074 0.000 1.076 1036 Y CA 0.112 57.972 58.100 -0.399 0.000 1.299 1036 Y CB 1.013 39.059 38.460 -0.690 0.000 1.197 1036 Y HN 0.410 nan 8.280 nan 0.000 0.517 1037 V N 5.772 125.497 119.914 -0.315 0.000 2.656 1037 V HA 0.900 5.021 4.120 0.001 0.000 0.307 1037 V C -0.622 175.407 176.094 -0.108 0.000 1.051 1037 V CA -0.473 61.786 62.300 -0.068 0.000 0.893 1037 V CB 1.260 33.080 31.823 -0.005 0.000 0.999 1037 V HN 0.946 nan 8.190 nan 0.000 0.426 1038 A N 2.758 125.619 122.820 0.068 0.000 2.606 1038 A HA 0.968 5.288 4.320 0.001 0.000 0.293 1038 A C -0.435 177.116 177.584 -0.055 0.000 1.082 1038 A CA -0.335 51.718 52.037 0.027 0.000 0.685 1038 A CB 2.254 21.390 19.000 0.227 0.000 1.284 1038 A HN 0.992 nan 8.150 nan 0.000 0.408 1039 T N -1.243 113.137 114.554 -0.291 0.000 2.887 1039 T HA 0.827 5.177 4.350 0.001 0.000 0.288 1039 T C -0.150 174.605 174.700 0.091 0.000 1.021 1039 T CA -0.098 61.882 62.100 -0.200 0.000 1.000 1039 T CB 0.992 69.424 68.868 -0.726 0.000 1.034 1039 T HN 2.116 nan 8.240 nan 0.000 0.467 1040 V N -1.770 118.362 119.914 0.362 0.000 3.167 1040 V HA 0.995 5.115 4.120 0.001 0.000 0.310 1040 V C -0.590 175.786 176.094 0.469 0.000 1.207 1040 V CA -0.867 61.691 62.300 0.430 0.000 1.059 1040 V CB 1.682 33.836 31.823 0.553 0.000 1.079 1040 V HN 1.235 nan 8.190 nan 0.000 0.446 1041 S N 1.292 117.239 115.700 0.412 0.000 2.382 1041 S HA 0.285 4.755 4.470 0.001 0.000 0.228 1041 S C 0.288 175.076 174.600 0.314 0.000 0.996 1041 S CA 0.081 58.485 58.200 0.341 0.000 1.094 1041 S CB 1.033 64.368 63.200 0.225 0.000 1.209 1041 S HN 1.092 nan 8.310 nan 0.000 0.420 1042 M N 4.007 123.747 119.600 0.233 0.000 2.089 1042 M HA -0.078 4.402 4.480 0.001 0.000 0.257 1042 M C 1.920 178.272 176.300 0.086 0.000 1.071 1042 M CA 2.744 58.074 55.300 0.050 0.000 1.096 1042 M CB -0.728 31.674 32.600 -0.331 0.000 1.330 1042 M HN 0.805 nan 8.290 nan 0.000 0.403 1043 G N -1.565 107.284 108.800 0.081 0.000 2.448 1043 G HA2 -0.294 3.666 3.960 0.001 0.000 0.219 1043 G HA3 -0.294 3.666 3.960 0.001 0.000 0.219 1043 G C 1.183 176.150 174.900 0.111 0.000 1.127 1043 G CA 0.974 46.121 45.100 0.077 0.000 0.766 1043 G HN 0.651 nan 8.290 nan 0.000 0.552 1044 Y N 0.585 120.915 120.300 0.050 0.000 2.269 1044 Y HA 0.350 4.900 4.550 0.000 0.000 0.294 1044 Y C 0.931 176.864 175.900 0.054 0.000 1.120 1044 Y CA 1.015 59.146 58.100 0.051 0.000 1.159 1044 Y CB 0.471 38.976 38.460 0.075 0.000 1.024 1044 Y HN 0.136 nan 8.280 nan 0.000 0.532 1045 S N -0.114 115.675 115.700 0.149 0.000 2.653 1045 S HA 0.281 4.751 4.470 0.001 0.000 0.268 1045 S C -0.209 174.480 174.600 0.149 0.000 1.153 1045 S CA -0.801 57.432 58.200 0.056 0.000 1.036 1045 S CB 0.883 64.162 63.200 0.131 0.000 1.103 1045 S HN 0.348 nan 8.310 nan 0.000 0.466 1046 K N 2.497 122.903 120.400 0.009 0.000 2.167 1046 K HA -0.068 4.252 4.320 0.001 0.000 0.203 1046 K C 1.578 178.244 176.600 0.109 0.000 1.052 1046 K CA 1.148 57.435 56.287 0.001 0.000 0.956 1046 K CB -0.016 32.106 32.500 -0.630 0.000 0.735 1046 K HN 0.511 nan 8.250 nan 0.000 0.451 1047 Q N 1.027 120.841 119.800 0.023 0.000 2.050 1047 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 1047 Q C 2.084 178.170 176.000 0.144 0.000 0.980 1047 Q CA 1.262 57.097 55.803 0.052 0.000 0.840 1047 Q CB -0.275 28.467 28.738 0.006 0.000 0.898 1047 Q HN 0.206 nan 8.270 nan 0.000 0.424 1048 Q N -0.335 119.581 119.800 0.192 0.000 2.170 1048 Q HA -0.149 4.192 4.340 0.001 0.000 0.203 1048 Q C 1.789 177.990 176.000 0.335 0.000 0.976 1048 Q CA 1.043 56.990 55.803 0.240 0.000 0.858 1048 Q CB -0.125 28.774 28.738 0.270 0.000 0.907 1048 Q HN 0.449 nan 8.270 nan 0.000 0.433 1049 F N 0.878 120.975 119.950 0.246 0.000 2.113 1049 F HA -0.127 4.400 4.527 0.001 0.000 0.297 1049 F C 1.894 177.862 175.800 0.280 0.000 1.103 1049 F CA 1.088 59.277 58.000 0.315 0.000 1.248 1049 F CB -0.541 38.704 39.000 0.408 0.000 0.999 1049 F HN 0.018 nan 8.300 nan 0.000 0.475 1050 L N 0.426 121.695 121.223 0.077 0.000 2.046 1050 L HA -0.246 4.094 4.340 0.001 0.000 0.208 1050 L C 2.652 179.514 176.870 -0.014 0.000 1.077 1050 L CA 1.948 56.739 54.840 -0.082 0.000 0.747 1050 L CB -0.844 41.247 42.059 0.053 0.000 0.896 1050 L HN 0.138 nan 8.230 nan 0.000 0.432 1051 K N 0.148 120.592 120.400 0.073 0.000 2.032 1051 K HA -0.180 4.140 4.320 0.001 0.000 0.209 1051 K C 2.032 178.704 176.600 0.121 0.000 1.048 1051 K CA 1.580 57.924 56.287 0.095 0.000 0.927 1051 K CB -0.058 32.509 32.500 0.112 0.000 0.712 1051 K HN 0.061 nan 8.250 nan 0.000 0.441 1052 V N 1.880 121.894 119.914 0.167 0.000 2.343 1052 V HA -0.271 3.850 4.120 0.001 0.000 0.247 1052 V C 2.365 178.562 176.094 0.171 0.000 1.051 1052 V CA 1.642 64.082 62.300 0.234 0.000 1.036 1052 V CB -0.354 31.670 31.823 0.335 0.000 0.654 1052 V HN 0.347 nan 8.190 nan 0.000 0.451 1053 L N -0.155 121.130 121.223 0.104 0.000 1.989 1053 L HA -0.266 4.074 4.340 0.001 0.000 0.211 1053 L C 2.640 179.703 176.870 0.321 0.000 1.071 1053 L CA 2.338 57.303 54.840 0.209 0.000 0.749 1053 L CB -0.799 41.257 42.059 -0.004 0.000 0.890 1053 L HN 0.342 nan 8.230 nan 0.000 0.431 1054 K N 0.527 121.061 120.400 0.223 0.000 2.044 1054 K HA -0.245 4.075 4.320 0.001 0.000 0.210 1054 K C 1.894 178.567 176.600 0.120 0.000 1.049 1054 K CA 2.005 58.428 56.287 0.227 0.000 0.927 1054 K CB -0.046 32.529 32.500 0.124 0.000 0.713 1054 K HN 0.385 nan 8.250 nan 0.000 0.443 1055 E N -0.225 119.986 120.200 0.019 0.000 2.072 1055 E HA -0.147 4.204 4.350 0.001 0.000 0.191 1055 E C 2.002 178.309 176.600 -0.489 0.000 0.985 1055 E CA 0.905 57.219 56.400 -0.144 0.000 0.801 1055 E CB -0.086 29.571 29.700 -0.072 0.000 0.750 1055 E HN 0.442 nan 8.360 nan 0.000 0.452 1056 A N 1.656 124.135 122.820 -0.567 0.000 1.858 1056 A HA -0.220 4.100 4.320 0.001 0.000 0.216 1056 A C 2.174 179.621 177.584 -0.229 0.000 1.190 1056 A CA 1.317 52.993 52.037 -0.602 0.000 0.617 1056 A CB -0.376 18.521 19.000 -0.172 0.000 0.827 1056 A HN 0.102 nan 8.150 nan 0.000 0.443 1057 E N 0.650 120.789 120.200 -0.102 0.000 2.077 1057 E HA -0.161 4.189 4.350 0.001 0.000 0.193 1057 E C 2.374 178.925 176.600 -0.081 0.000 0.989 1057 E CA 1.730 58.028 56.400 -0.170 0.000 0.800 1057 E CB -0.275 29.227 29.700 -0.330 0.000 0.746 1057 E HN 0.665 nan 8.360 nan 0.000 0.452 1058 S N -0.077 115.627 115.700 0.008 0.000 2.453 1058 S HA -0.114 4.356 4.470 0.001 0.000 0.231 1058 S C 0.955 175.593 174.600 0.063 0.000 1.005 1058 S CA -0.223 58.004 58.200 0.046 0.000 0.949 1058 S CB -0.588 62.661 63.200 0.081 0.000 0.774 1058 S HN 0.203 nan 8.310 nan 0.000 0.510 1059 F N 5.935 125.823 119.950 -0.105 0.000 2.557 1059 F HA 0.286 4.814 4.527 0.001 0.000 0.384 1059 F C -2.185 173.614 175.800 -0.002 0.000 1.057 1059 F CA -2.903 55.070 58.000 -0.045 0.000 1.169 1059 F CB 0.473 39.423 39.000 -0.083 0.000 1.070 1059 F HN 0.077 nan 8.300 nan 0.000 0.554 1060 P HA 0.254 nan 4.420 nan 0.000 0.231 1060 P C -0.032 176.925 177.300 -0.572 0.000 1.756 1060 P CA 0.435 63.302 63.100 -0.388 0.000 0.990 1060 P CB -0.137 31.422 31.700 -0.235 0.000 1.973 1061 G N 1.951 110.435 108.800 -0.525 0.000 2.341 1061 G HA2 0.291 4.251 3.960 0.001 0.000 0.299 1061 G HA3 0.291 4.251 3.960 0.001 0.000 0.299 1061 G C -3.524 171.461 174.900 0.140 0.000 1.274 1061 G CA -0.855 44.093 45.100 -0.255 0.000 0.853 1061 G HN -0.075 nan 8.290 nan 0.000 0.493 1062 P HA 0.415 nan 4.420 nan 0.000 0.276 1062 P C -0.653 176.866 177.300 0.366 0.000 1.230 1062 P CA 0.169 63.435 63.100 0.276 0.000 0.776 1062 P CB 1.563 33.376 31.700 0.188 0.000 0.888 1063 S N 2.709 118.531 115.700 0.203 0.000 2.521 1063 S HA 0.545 5.015 4.470 0.001 0.000 0.295 1063 S C -0.658 174.045 174.600 0.172 0.000 1.098 1063 S CA -0.690 57.628 58.200 0.198 0.000 0.999 1063 S CB 1.009 64.247 63.200 0.064 0.000 1.034 1063 S HN 0.420 nan 8.310 nan 0.000 0.483 1064 L N 3.998 125.364 121.223 0.238 0.000 2.376 1064 L HA 0.703 5.043 4.340 0.001 0.000 0.275 1064 L C -1.650 175.392 176.870 0.286 0.000 0.987 1064 L CA -0.564 54.410 54.840 0.223 0.000 0.828 1064 L CB 1.425 43.567 42.059 0.139 0.000 1.249 1064 L HN 0.439 nan 8.230 nan 0.000 0.409 1065 V N 6.132 126.254 119.914 0.347 0.000 2.531 1065 V HA 0.488 4.608 4.120 0.001 0.000 0.301 1065 V C -0.176 176.066 176.094 0.246 0.000 1.034 1065 V CA -0.390 62.148 62.300 0.397 0.000 0.865 1065 V CB 2.172 34.392 31.823 0.662 0.000 0.995 1065 V HN 0.544 nan 8.190 nan 0.000 0.424 1066 I N 4.232 124.908 120.570 0.178 0.000 2.389 1066 I HA 0.764 4.935 4.170 0.001 0.000 0.288 1066 I C 0.288 176.544 176.117 0.231 0.000 0.999 1066 I CA -0.469 60.914 61.300 0.138 0.000 1.129 1066 I CB 1.816 39.939 38.000 0.205 0.000 1.288 1066 I HN 0.665 nan 8.210 nan 0.000 0.444 1067 A N 5.545 128.336 122.820 -0.049 0.000 2.325 1067 A HA 0.541 4.862 4.320 0.001 0.000 0.333 1067 A C -1.315 176.171 177.584 -0.164 0.000 1.155 1067 A CA -0.433 51.512 52.037 -0.154 0.000 0.814 1067 A CB 0.822 19.263 19.000 -0.931 0.000 1.206 1067 A HN 0.638 nan 8.150 nan 0.000 0.482 1068 Y N 1.819 121.861 120.300 -0.431 0.000 2.393 1068 Y HA 0.465 5.015 4.550 0.001 0.000 0.338 1068 Y C 0.284 176.067 175.900 -0.194 0.000 1.029 1068 Y CA -0.027 57.599 58.100 -0.790 0.000 1.239 1068 Y CB 0.546 38.274 38.460 -1.220 0.000 1.170 1068 Y HN 0.794 nan 8.280 nan 0.000 0.515 1069 A N 5.205 127.727 122.820 -0.496 0.000 2.304 1069 A HA 0.526 4.846 4.320 0.001 0.000 0.314 1069 A C -0.035 177.344 177.584 -0.341 0.000 1.187 1069 A CA -0.431 51.503 52.037 -0.171 0.000 0.810 1069 A CB 0.162 19.146 19.000 -0.025 0.000 1.183 1069 A HN 0.798 nan 8.150 nan 0.000 0.487 1070 T N -1.121 113.342 114.554 -0.151 0.000 2.813 1070 T HA 0.482 4.832 4.350 0.001 0.000 0.297 1070 T C 0.120 174.779 174.700 -0.068 0.000 1.036 1070 T CA -0.350 61.690 62.100 -0.100 0.000 1.044 1070 T CB 0.986 69.869 68.868 0.026 0.000 0.993 1070 T HN 1.540 nan 8.240 nan 0.000 0.535 1071 C N 2.323 121.595 119.300 -0.047 0.000 3.241 1071 C HA 0.438 4.899 4.460 0.001 0.000 0.348 1071 C C 1.661 176.642 174.990 -0.014 0.000 1.180 1071 C CA -0.758 58.248 59.018 -0.020 0.000 1.273 1071 C CB -0.124 27.601 27.740 -0.025 0.000 1.620 1071 C HN 1.092 nan 8.230 nan 0.000 0.510 1072 I N 1.563 122.133 120.570 0.001 0.000 2.315 1072 I HA -0.162 4.008 4.170 0.001 0.000 0.251 1072 I C 1.706 177.811 176.117 -0.019 0.000 1.125 1072 I CA 2.307 63.605 61.300 -0.003 0.000 1.392 1072 I CB -0.604 37.401 38.000 0.009 0.000 1.065 1072 I HN 0.796 nan 8.210 nan 0.000 0.424 1073 N N 0.854 119.541 118.700 -0.022 0.000 2.272 1073 N HA -0.209 4.531 4.740 0.001 0.000 0.185 1073 N C 1.864 177.335 175.510 -0.065 0.000 1.014 1073 N CA 1.253 54.279 53.050 -0.040 0.000 0.870 1073 N CB -0.164 38.302 38.487 -0.035 0.000 0.975 1073 N HN 0.590 nan 8.380 nan 0.000 0.433 1074 Q N -0.193 119.570 119.800 -0.062 0.000 2.297 1074 Q HA 0.029 4.369 4.340 0.001 0.000 0.204 1074 Q C 0.808 176.763 176.000 -0.076 0.000 0.962 1074 Q CA 0.640 56.394 55.803 -0.081 0.000 0.879 1074 Q CB 0.300 29.007 28.738 -0.053 0.000 0.947 1074 Q HN 0.421 nan 8.270 nan 0.000 0.462 1075 G N 1.268 110.036 108.800 -0.053 0.000 2.289 1075 G HA2 -0.249 3.712 3.960 0.001 0.000 0.280 1075 G HA3 -0.249 3.712 3.960 0.001 0.000 0.280 1075 G C -0.273 174.606 174.900 -0.035 0.000 1.089 1075 G CA -0.333 44.740 45.100 -0.044 0.000 0.939 1075 G HN 0.225 nan 8.290 nan 0.000 0.499 1076 L N 0.016 121.223 121.223 -0.027 0.000 2.615 1076 L HA 0.078 4.418 4.340 0.001 0.000 0.271 1076 L C 2.123 178.983 176.870 -0.017 0.000 1.183 1076 L CA 0.311 55.137 54.840 -0.023 0.000 0.933 1076 L CB 0.267 42.322 42.059 -0.006 0.000 1.199 1076 L HN 0.519 nan 8.230 nan 0.000 0.487 1077 R N 3.509 123.997 120.500 -0.021 0.000 2.159 1077 R HA -0.139 4.201 4.340 0.001 0.000 0.237 1077 R C 1.129 177.424 176.300 -0.007 0.000 1.131 1077 R CA 1.540 57.631 56.100 -0.014 0.000 0.982 1077 R CB 0.185 30.476 30.300 -0.015 0.000 0.868 1077 R HN 0.595 nan 8.270 nan 0.000 0.453 1078 K N -0.554 119.844 120.400 -0.003 0.000 2.373 1078 K HA 0.215 4.536 4.320 0.001 0.000 0.202 1078 K C -0.361 176.242 176.600 0.005 0.000 1.025 1078 K CA 0.338 56.627 56.287 0.002 0.000 1.115 1078 K CB 1.582 34.086 32.500 0.005 0.000 0.858 1078 K HN 0.387 nan 8.250 nan 0.000 0.525 1079 G N 0.917 109.719 108.800 0.004 0.000 2.539 1079 G HA2 -0.176 3.785 3.960 0.001 0.000 0.686 1079 G HA3 -0.176 3.785 3.960 0.001 0.000 0.686 1079 G C 0.172 175.078 174.900 0.011 0.000 1.258 1079 G CA -0.897 44.207 45.100 0.007 0.000 0.846 1079 G HN -0.107 nan 8.290 nan 0.000 0.647 1080 M N 1.106 120.713 119.600 0.012 0.000 2.549 1080 M HA 0.031 4.512 4.480 0.001 0.000 0.260 1080 M C 2.455 178.766 176.300 0.017 0.000 1.076 1080 M CA 1.728 57.037 55.300 0.015 0.000 1.090 1080 M CB -0.927 31.682 32.600 0.016 0.000 1.418 1080 M HN 1.000 nan 8.290 nan 0.000 0.486 1081 G N 0.148 108.958 108.800 0.016 0.000 2.776 1081 G HA2 -0.127 3.834 3.960 0.001 0.000 0.209 1081 G HA3 -0.127 3.834 3.960 0.001 0.000 0.209 1081 G C 1.449 176.361 174.900 0.020 0.000 1.145 1081 G CA 0.363 45.473 45.100 0.017 0.000 0.791 1081 G HN 0.281 nan 8.290 nan 0.000 0.530 1082 K N 0.591 121.005 120.400 0.024 0.000 2.373 1082 K HA 0.247 4.568 4.320 0.001 0.000 0.202 1082 K C 2.050 178.677 176.600 0.046 0.000 1.025 1082 K CA -0.044 56.262 56.287 0.032 0.000 1.115 1082 K CB 0.471 32.989 32.500 0.030 0.000 0.858 1082 K HN 0.127 nan 8.250 nan 0.000 0.525 1083 S N 1.844 117.569 115.700 0.041 0.000 2.359 1083 S HA -0.190 4.281 4.470 0.001 0.000 0.223 1083 S C 1.783 176.424 174.600 0.067 0.000 1.039 1083 S CA 1.358 59.592 58.200 0.057 0.000 1.042 1083 S CB -0.013 63.204 63.200 0.027 0.000 0.915 1083 S HN 0.333 nan 8.310 nan 0.000 0.439 1084 Q N 0.724 120.546 119.800 0.037 0.000 2.096 1084 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 1084 Q C 1.955 177.991 176.000 0.059 0.000 0.982 1084 Q CA 1.594 57.419 55.803 0.036 0.000 0.850 1084 Q CB -0.758 27.989 28.738 0.015 0.000 0.901 1084 Q HN 0.554 nan 8.270 nan 0.000 0.422 1085 D N -0.161 120.274 120.400 0.057 0.000 2.117 1085 D HA -0.109 4.532 4.640 0.001 0.000 0.197 1085 D C 1.911 178.270 176.300 0.099 0.000 0.987 1085 D CA 0.771 54.810 54.000 0.065 0.000 0.829 1085 D CB 0.170 41.002 40.800 0.053 0.000 0.961 1085 D HN 0.004 nan 8.370 nan 0.000 0.460 1086 V N 0.309 120.295 119.914 0.121 0.000 2.343 1086 V HA -0.248 3.872 4.120 0.001 0.000 0.247 1086 V C 2.495 178.707 176.094 0.196 0.000 1.051 1086 V CA 1.630 64.046 62.300 0.194 0.000 1.036 1086 V CB -0.448 31.487 31.823 0.187 0.000 0.654 1086 V HN 0.314 nan 8.190 nan 0.000 0.451 1087 M N -0.143 119.553 119.600 0.161 0.000 2.159 1087 M HA -0.208 4.272 4.480 0.001 0.000 0.263 1087 M C 2.115 178.449 176.300 0.057 0.000 1.063 1087 M CA 2.064 57.427 55.300 0.104 0.000 1.110 1087 M CB -0.720 31.975 32.600 0.158 0.000 1.374 1087 M HN 0.469 nan 8.290 nan 0.000 0.411 1088 N N -0.545 118.221 118.700 0.110 0.000 2.106 1088 N HA -0.144 4.596 4.740 0.001 0.000 0.188 1088 N C 1.343 176.919 175.510 0.110 0.000 1.029 1088 N CA 1.657 54.807 53.050 0.168 0.000 0.848 1088 N CB 0.161 38.718 38.487 0.118 0.000 1.007 1088 N HN 0.232 nan 8.380 nan 0.000 0.423 1089 T N 0.431 115.013 114.554 0.047 0.000 2.867 1089 T HA -0.032 4.319 4.350 0.001 0.000 0.268 1089 T C 1.876 176.368 174.700 -0.347 0.000 1.057 1089 T CA 0.925 62.999 62.100 -0.042 0.000 1.136 1089 T CB -0.320 68.604 68.868 0.094 0.000 0.874 1089 T HN 0.402 nan 8.240 nan 0.000 0.466 1090 A N 0.953 123.509 122.820 -0.439 0.000 1.948 1090 A HA -0.101 4.219 4.320 0.001 0.000 0.220 1090 A C 2.520 179.877 177.584 -0.379 0.000 1.177 1090 A CA 1.657 53.220 52.037 -0.789 0.000 0.636 1090 A CB -0.881 17.658 19.000 -0.768 0.000 0.815 1090 A HN 0.397 nan 8.150 nan 0.000 0.449 1091 V N -0.434 119.349 119.914 -0.219 0.000 2.379 1091 V HA -0.156 3.965 4.120 0.001 0.000 0.243 1091 V C 2.319 178.287 176.094 -0.210 0.000 1.035 1091 V CA 1.926 64.098 62.300 -0.213 0.000 1.035 1091 V CB -0.639 30.886 31.823 -0.497 0.000 0.673 1091 V HN 0.492 nan 8.190 nan 0.000 0.457 1092 K N 1.262 121.596 120.400 -0.109 0.000 2.152 1092 K HA -0.169 4.151 4.320 0.001 0.000 0.206 1092 K C 2.276 178.808 176.600 -0.112 0.000 1.048 1092 K CA 1.814 58.077 56.287 -0.039 0.000 0.933 1092 K CB -0.348 32.186 32.500 0.056 0.000 0.721 1092 K HN 0.630 nan 8.250 nan 0.000 0.447 1093 S N -0.677 114.917 115.700 -0.176 0.000 2.481 1093 S HA 0.011 4.481 4.470 0.001 0.000 0.231 1093 S C 1.551 176.062 174.600 -0.148 0.000 0.996 1093 S CA 0.769 58.861 58.200 -0.181 0.000 0.942 1093 S CB 0.042 63.054 63.200 -0.313 0.000 0.768 1093 S HN 0.476 nan 8.310 nan 0.000 0.520 1094 G N 0.152 108.867 108.800 -0.140 0.000 2.176 1094 G HA2 -0.388 3.572 3.960 0.001 0.000 0.253 1094 G HA3 -0.388 3.572 3.960 0.001 0.000 0.253 1094 G C 0.369 175.282 174.900 0.022 0.000 0.979 1094 G CA 0.398 45.445 45.100 -0.089 0.000 0.641 1094 G HN 0.577 nan 8.290 nan 0.000 0.530 1095 Y N -0.314 119.886 120.300 -0.167 0.000 2.145 1095 Y HA 0.137 4.687 4.550 0.001 0.000 0.286 1095 Y C 1.380 177.323 175.900 0.072 0.000 1.145 1095 Y CA 2.125 60.168 58.100 -0.095 0.000 1.148 1095 Y CB 0.169 38.433 38.460 -0.327 0.000 0.981 1095 Y HN 0.358 nan 8.280 nan 0.000 0.507 1096 W N 4.706 125.952 121.300 -0.091 0.000 2.319 1096 W HA 0.315 4.975 4.660 -0.000 0.000 0.288 1096 W C -2.951 173.519 176.519 -0.081 0.000 0.959 1096 W CA -2.257 55.028 57.345 -0.101 0.000 1.784 1096 W CB 0.732 30.126 29.460 -0.109 0.000 1.848 1096 W HN -0.010 nan 8.180 nan 0.000 0.408 1097 P HA 0.111 nan 4.420 nan 0.000 0.271 1097 P C -0.346 176.904 177.300 -0.083 0.000 1.216 1097 P CA 0.284 63.420 63.100 0.061 0.000 0.776 1097 P CB 1.826 33.683 31.700 0.263 0.000 0.881 1098 L N 4.492 125.686 121.223 -0.049 0.000 2.334 1098 L HA 0.567 4.907 4.340 0.001 0.000 0.277 1098 L C 0.365 177.205 176.870 -0.049 0.000 1.075 1098 L CA -0.577 54.183 54.840 -0.134 0.000 0.804 1098 L CB 0.198 42.253 42.059 -0.007 0.000 1.174 1098 L HN 0.451 nan 8.230 nan 0.000 0.438 1099 F N 0.281 120.192 119.950 -0.064 0.000 2.773 1099 F HA 0.729 5.257 4.527 0.000 0.000 0.314 1099 F C -1.133 174.540 175.800 -0.212 0.000 1.160 1099 F CA -1.401 56.468 58.000 -0.220 0.000 0.920 1099 F CB 1.585 40.407 39.000 -0.296 0.000 1.323 1099 F HN 0.226 nan 8.300 nan 0.000 0.457 1100 R N 0.761 121.214 120.500 -0.077 0.000 2.574 1100 R HA 0.420 4.760 4.340 0.001 0.000 0.288 1100 R C -2.375 173.755 176.300 -0.284 0.000 1.004 1100 R CA -0.914 55.096 56.100 -0.150 0.000 0.895 1100 R CB 2.509 32.737 30.300 -0.120 0.000 1.191 1100 R HN 0.846 nan 8.270 nan 0.000 0.444 1101 Y N 2.550 122.597 120.300 -0.421 0.000 2.388 1101 Y HA 0.255 4.805 4.550 0.000 0.000 0.328 1101 Y C -1.019 174.497 175.900 -0.640 0.000 0.963 1101 Y CA -0.653 57.236 58.100 -0.351 0.000 1.240 1101 Y CB 1.003 39.371 38.460 -0.154 0.000 1.118 1101 Y HN 0.447 nan 8.280 nan 0.000 0.484 1102 D N 8.367 128.349 120.400 -0.696 0.000 2.453 1102 D HA 0.314 4.955 4.640 0.001 0.000 0.238 1102 D C -2.157 173.841 176.300 -0.504 0.000 1.088 1102 D CA -2.529 51.180 54.000 -0.486 0.000 0.854 1102 D CB 2.251 42.961 40.800 -0.151 0.000 1.076 1102 D HN 0.300 nan 8.370 nan 0.000 0.533 1103 P HA -0.154 nan 4.420 nan 0.000 0.217 1103 P C 1.193 178.220 177.300 -0.455 0.000 1.148 1103 P CA 1.083 63.837 63.100 -0.578 0.000 0.828 1103 P CB 0.110 31.334 31.700 -0.795 0.000 0.783 1104 R N -0.480 119.924 120.500 -0.159 0.000 2.280 1104 R HA 0.024 4.365 4.340 0.001 0.000 0.207 1104 R C 1.843 178.183 176.300 0.067 0.000 1.043 1104 R CA 0.856 57.024 56.100 0.113 0.000 1.006 1104 R CB -1.282 29.186 30.300 0.280 0.000 0.885 1104 R HN 0.258 nan 8.270 nan 0.000 0.467 1105 L N 0.887 122.073 121.223 -0.061 0.000 2.109 1105 L HA 0.019 4.360 4.340 0.001 0.000 0.207 1105 L C 2.734 179.567 176.870 -0.060 0.000 1.086 1105 L CA 1.058 55.850 54.840 -0.080 0.000 0.760 1105 L CB -0.458 41.489 42.059 -0.187 0.000 0.910 1105 L HN 0.293 nan 8.230 nan 0.000 0.437 1106 A N 0.078 122.846 122.820 -0.087 0.000 1.972 1106 A HA -0.134 4.187 4.320 0.001 0.000 0.219 1106 A C 2.433 180.168 177.584 0.252 0.000 1.169 1106 A CA 1.550 53.638 52.037 0.086 0.000 0.635 1106 A CB -0.498 18.572 19.000 0.117 0.000 0.810 1106 A HN 0.398 nan 8.150 nan 0.000 0.446 1107 A N -0.926 122.045 122.820 0.252 0.000 2.066 1107 A HA -0.088 4.232 4.320 0.001 0.000 0.218 1107 A C 1.889 179.588 177.584 0.192 0.000 1.157 1107 A CA 1.269 53.479 52.037 0.287 0.000 0.670 1107 A CB -0.315 18.922 19.000 0.395 0.000 0.804 1107 A HN 0.643 nan 8.150 nan 0.000 0.453 1108 Q N -1.480 118.412 119.800 0.154 0.000 2.360 1108 Q HA 0.279 4.620 4.340 0.001 0.000 0.202 1108 Q C 0.987 177.066 176.000 0.131 0.000 0.915 1108 Q CA 0.290 56.163 55.803 0.115 0.000 0.943 1108 Q CB 0.239 29.024 28.738 0.079 0.000 1.064 1108 Q HN 0.805 nan 8.270 nan 0.000 0.511 1109 G N 1.457 110.383 108.800 0.210 0.000 2.148 1109 G HA2 -0.288 3.673 3.960 0.001 0.000 0.254 1109 G HA3 -0.288 3.673 3.960 0.001 0.000 0.254 1109 G C -0.100 175.003 174.900 0.338 0.000 0.981 1109 G CA 0.188 45.472 45.100 0.306 0.000 0.670 1109 G HN 0.219 nan 8.290 nan 0.000 0.528 1110 K N -0.297 120.158 120.400 0.092 0.000 2.185 1110 K HA 0.447 4.768 4.320 0.001 0.000 0.240 1110 K C 0.015 176.183 176.600 -0.720 0.000 0.983 1110 K CA -1.055 55.140 56.287 -0.154 0.000 0.873 1110 K CB 0.718 33.149 32.500 -0.114 0.000 1.118 1110 K HN 0.058 nan 8.250 nan 0.000 0.441 1111 N N 2.835 121.069 118.700 -0.776 0.000 2.452 1111 N HA 0.026 4.766 4.740 0.001 0.000 0.266 1111 N C -1.689 173.427 175.510 -0.658 0.000 1.175 1111 N CA -1.779 50.669 53.050 -1.003 0.000 0.945 1111 N CB 0.766 38.951 38.487 -0.504 0.000 1.063 1111 N HN 0.317 nan 8.380 nan 0.000 0.472 1112 P HA -0.107 nan 4.420 nan 0.000 0.218 1112 P C 0.183 177.095 177.300 -0.646 0.000 1.149 1112 P CA 0.728 63.406 63.100 -0.704 0.000 0.817 1112 P CB 0.088 31.202 31.700 -0.976 0.000 0.785 1113 F N 1.822 121.425 119.950 -0.579 0.000 2.411 1113 F HA 0.298 4.825 4.527 0.000 0.000 0.355 1113 F C 0.030 175.688 175.800 -0.237 0.000 1.117 1113 F CA -0.455 57.347 58.000 -0.330 0.000 1.139 1113 F CB 0.587 39.472 39.000 -0.191 0.000 1.120 1113 F HN -0.171 nan 8.300 nan 0.000 0.493 1114 Q N 6.389 125.661 119.800 -0.879 0.000 2.330 1114 Q HA 0.440 4.781 4.340 0.001 0.000 0.269 1114 Q C -1.174 174.396 176.000 -0.716 0.000 1.022 1114 Q CA -0.759 54.691 55.803 -0.589 0.000 0.796 1114 Q CB 2.774 31.323 28.738 -0.315 0.000 1.271 1114 Q HN 0.683 nan 8.270 nan 0.000 0.450 1115 L N 2.811 123.782 121.223 -0.421 0.000 2.290 1115 L HA 0.202 4.542 4.340 0.001 0.000 0.284 1115 L C -0.062 176.773 176.870 -0.058 0.000 1.078 1115 L CA 0.049 54.768 54.840 -0.202 0.000 0.815 1115 L CB 0.829 42.841 42.059 -0.078 0.000 1.162 1115 L HN 0.803 nan 8.230 nan 0.000 0.435 1116 D N 0.872 121.281 120.400 0.015 0.000 2.389 1116 D HA 0.053 4.693 4.640 0.001 0.000 0.206 1116 D C 0.631 177.019 176.300 0.146 0.000 1.055 1116 D CA 0.335 54.381 54.000 0.077 0.000 0.856 1116 D CB 0.720 41.573 40.800 0.089 0.000 0.957 1116 D HN 0.553 nan 8.370 nan 0.000 0.509 1117 S N -0.670 115.112 115.700 0.137 0.000 2.759 1117 S HA 0.662 5.133 4.470 0.001 0.000 0.310 1117 S C -0.109 174.650 174.600 0.265 0.000 1.123 1117 S CA -0.793 57.485 58.200 0.130 0.000 0.959 1117 S CB 2.471 65.599 63.200 -0.119 0.000 1.172 1117 S HN -0.239 nan 8.310 nan 0.000 0.539 1118 K N 0.120 120.636 120.400 0.194 0.000 2.168 1118 K HA 0.761 5.081 4.320 0.001 0.000 0.239 1118 K C -0.111 176.345 176.600 -0.240 0.000 0.999 1118 K CA -0.689 55.692 56.287 0.156 0.000 0.900 1118 K CB 0.886 33.436 32.500 0.084 0.000 1.111 1118 K HN 0.830 nan 8.250 nan 0.000 0.452 1119 A N 1.896 124.438 122.820 -0.463 0.000 2.531 1119 A HA 0.152 4.472 4.320 0.001 0.000 0.236 1119 A C -2.132 175.032 177.584 -0.699 0.000 1.062 1119 A CA -0.756 50.618 52.037 -1.106 0.000 0.760 1119 A CB -0.858 17.890 19.000 -0.418 0.000 0.995 1119 A HN 0.406 nan 8.150 nan 0.000 0.501 1120 P HA -0.064 nan 4.420 nan 0.000 0.259 1120 P C -0.115 177.059 177.300 -0.210 0.000 1.155 1120 P CA 0.827 63.721 63.100 -0.343 0.000 0.759 1120 P CB 0.429 31.984 31.700 -0.242 0.000 0.753 1121 D N 2.349 122.663 120.400 -0.143 0.000 2.339 1121 D HA 0.073 4.713 4.640 0.001 0.000 0.217 1121 D C 1.306 177.572 176.300 -0.057 0.000 1.050 1121 D CA 0.416 54.365 54.000 -0.085 0.000 0.856 1121 D CB -0.524 40.243 40.800 -0.056 0.000 0.922 1121 D HN 0.547 nan 8.370 nan 0.000 0.518 1122 G N 0.330 109.095 108.800 -0.058 0.000 2.157 1122 G HA2 -0.309 3.651 3.960 0.001 0.000 0.248 1122 G HA3 -0.309 3.651 3.960 0.001 0.000 0.248 1122 G C 0.842 175.731 174.900 -0.018 0.000 0.979 1122 G CA 0.553 45.633 45.100 -0.032 0.000 0.650 1122 G HN 0.715 nan 8.290 nan 0.000 0.529 1123 S N -0.363 115.323 115.700 -0.023 0.000 2.582 1123 S HA 0.354 4.825 4.470 0.001 0.000 0.234 1123 S C 2.198 176.809 174.600 0.019 0.000 0.961 1123 S CA 1.029 59.229 58.200 -0.001 0.000 0.953 1123 S CB 0.404 63.605 63.200 0.003 0.000 0.800 1123 S HN 1.448 nan 8.310 nan 0.000 0.471 1124 V N -0.102 119.813 119.914 0.003 0.000 2.287 1124 V HA -0.199 3.922 4.120 0.001 0.000 0.248 1124 V C 2.543 178.675 176.094 0.065 0.000 1.053 1124 V CA 2.192 64.515 62.300 0.038 0.000 1.027 1124 V CB -1.359 30.485 31.823 0.035 0.000 0.646 1124 V HN 0.517 nan 8.190 nan 0.000 0.447 1125 E N 1.887 122.100 120.200 0.022 0.000 2.049 1125 E HA -0.286 4.064 4.350 0.001 0.000 0.198 1125 E C 2.266 178.864 176.600 -0.003 0.000 1.007 1125 E CA 2.309 58.708 56.400 -0.002 0.000 0.809 1125 E CB -0.490 29.212 29.700 0.004 0.000 0.749 1125 E HN 0.885 nan 8.360 nan 0.000 0.450 1126 E N -0.212 120.002 120.200 0.024 0.000 2.150 1126 E HA -0.197 4.153 4.350 0.001 0.000 0.193 1126 E C 2.208 178.826 176.600 0.029 0.000 0.985 1126 E CA 0.957 57.370 56.400 0.022 0.000 0.814 1126 E CB -0.765 28.954 29.700 0.031 0.000 0.752 1126 E HN 0.431 nan 8.360 nan 0.000 0.466 1127 F N 2.460 122.346 119.950 -0.107 0.000 2.102 1127 F HA -0.103 4.424 4.527 -0.001 0.000 0.298 1127 F C 2.148 177.834 175.800 -0.191 0.000 1.105 1127 F CA 1.354 59.265 58.000 -0.148 0.000 1.239 1127 F CB -0.262 38.615 39.000 -0.206 0.000 0.991 1127 F HN -0.118 nan 8.300 nan 0.000 0.474 1128 L N -0.496 120.526 121.223 -0.334 0.000 2.005 1128 L HA -0.242 4.099 4.340 0.001 0.000 0.207 1128 L C 2.515 179.256 176.870 -0.216 0.000 1.072 1128 L CA 1.093 55.575 54.840 -0.596 0.000 0.744 1128 L CB -0.802 40.844 42.059 -0.689 0.000 0.895 1128 L HN 0.161 nan 8.230 nan 0.000 0.433 1129 M N -0.219 119.314 119.600 -0.111 0.000 2.446 1129 M HA -0.101 4.379 4.480 0.001 0.000 0.263 1129 M C 2.075 178.358 176.300 -0.027 0.000 1.066 1129 M CA 1.151 56.438 55.300 -0.022 0.000 1.087 1129 M CB -1.175 31.418 32.600 -0.012 0.000 1.406 1129 M HN 0.292 nan 8.290 nan 0.000 0.459 1130 A N -0.346 122.426 122.820 -0.080 0.000 2.251 1130 A HA 0.064 4.385 4.320 0.001 0.000 0.209 1130 A C 0.597 178.137 177.584 -0.074 0.000 1.187 1130 A CA 0.148 52.142 52.037 -0.071 0.000 0.823 1130 A CB -0.103 18.849 19.000 -0.079 0.000 0.846 1130 A HN 0.515 nan 8.150 nan 0.000 0.486 1131 Q N -0.498 119.274 119.800 -0.047 0.000 2.330 1131 Q HA 0.244 4.584 4.340 0.001 0.000 0.269 1131 Q C 0.311 176.322 176.000 0.018 0.000 1.022 1131 Q CA -0.609 55.185 55.803 -0.015 0.000 0.796 1131 Q CB 1.387 30.127 28.738 0.004 0.000 1.271 1131 Q HN 0.446 nan 8.270 nan 0.000 0.450 1132 N N 2.389 121.073 118.700 -0.027 0.000 2.205 1132 N HA -0.198 4.542 4.740 0.001 0.000 0.186 1132 N C 1.363 176.824 175.510 -0.080 0.000 1.015 1132 N CA 1.202 54.231 53.050 -0.035 0.000 0.862 1132 N CB 0.324 38.786 38.487 -0.043 0.000 0.986 1132 N HN 0.565 nan 8.380 nan 0.000 0.429 1133 R N -0.990 119.405 120.500 -0.174 0.000 2.249 1133 R HA -0.100 4.240 4.340 0.001 0.000 0.230 1133 R C 1.117 177.127 176.300 -0.482 0.000 1.121 1133 R CA 1.295 57.189 56.100 -0.344 0.000 0.997 1133 R CB -0.459 29.556 30.300 -0.475 0.000 0.867 1133 R HN 0.253 nan 8.270 nan 0.000 0.465 1134 F N 0.197 120.126 119.950 -0.035 0.000 2.514 1134 F HA 0.384 4.911 4.527 0.001 0.000 0.281 1134 F C 2.657 178.453 175.800 -0.007 0.000 1.060 1134 F CA 0.223 58.213 58.000 -0.016 0.000 1.397 1134 F CB -0.129 38.846 39.000 -0.041 0.000 1.129 1134 F HN 0.041 nan 8.300 nan 0.000 0.620 1135 A N 0.681 123.591 122.820 0.150 0.000 1.908 1135 A HA -0.160 4.161 4.320 0.001 0.000 0.218 1135 A C 2.180 179.794 177.584 0.049 0.000 1.181 1135 A CA 2.255 54.340 52.037 0.080 0.000 0.627 1135 A CB -1.332 17.693 19.000 0.042 0.000 0.818 1135 A HN 0.229 nan 8.150 nan 0.000 0.445 1136 V N -1.285 118.643 119.914 0.025 0.000 2.407 1136 V HA -0.234 3.886 4.120 0.001 0.000 0.248 1136 V C 2.337 178.461 176.094 0.050 0.000 1.055 1136 V CA 1.668 63.976 62.300 0.014 0.000 1.049 1136 V CB -1.159 30.661 31.823 -0.004 0.000 0.662 1136 V HN 0.507 nan 8.190 nan 0.000 0.455 1137 L N 0.542 121.820 121.223 0.093 0.000 2.042 1137 L HA -0.229 4.111 4.340 0.001 0.000 0.210 1137 L C 2.452 179.415 176.870 0.155 0.000 1.076 1137 L CA 2.845 57.790 54.840 0.175 0.000 0.749 1137 L CB -0.615 41.546 42.059 0.169 0.000 0.893 1137 L HN 0.482 nan 8.230 nan 0.000 0.432 1138 D N -0.458 120.008 120.400 0.109 0.000 2.117 1138 D HA -0.203 4.437 4.640 0.001 0.000 0.197 1138 D C 2.271 178.590 176.300 0.032 0.000 0.987 1138 D CA 1.216 55.264 54.000 0.080 0.000 0.829 1138 D CB 0.154 40.994 40.800 0.067 0.000 0.961 1138 D HN 0.157 nan 8.370 nan 0.000 0.460 1139 R N -0.422 120.081 120.500 0.005 0.000 2.148 1139 R HA 0.028 4.369 4.340 0.001 0.000 0.227 1139 R C 2.112 178.347 176.300 -0.109 0.000 1.103 1139 R CA 1.085 57.162 56.100 -0.039 0.000 0.983 1139 R CB 0.013 30.290 30.300 -0.038 0.000 0.874 1139 R HN 0.118 nan 8.270 nan 0.000 0.451 1140 S N -0.454 115.150 115.700 -0.160 0.000 2.468 1140 S HA 0.142 4.612 4.470 0.001 0.000 0.226 1140 S C 0.160 174.316 174.600 -0.740 0.000 1.051 1140 S CA 0.435 58.355 58.200 -0.467 0.000 0.943 1140 S CB 0.404 63.272 63.200 -0.554 0.000 0.810 1140 S HN 0.106 nan 8.310 nan 0.000 0.509 1141 F N 1.038 120.995 119.950 0.012 0.000 2.622 1141 F HA 0.399 4.926 4.527 0.000 0.000 0.338 1141 F C -2.305 173.507 175.800 0.022 0.000 1.334 1141 F CA -2.086 55.924 58.000 0.016 0.000 1.179 1141 F CB 1.074 40.085 39.000 0.019 0.000 1.471 1141 F HN -0.026 nan 8.300 nan 0.000 0.576 1142 P HA -0.243 nan 4.420 nan 0.000 0.216 1142 P C 1.315 178.672 177.300 0.094 0.000 1.167 1142 P CA 2.024 65.172 63.100 0.081 0.000 0.914 1142 P CB 0.304 32.029 31.700 0.041 0.000 0.793 1143 E N -0.696 119.562 120.200 0.097 0.000 2.023 1143 E HA -0.214 4.136 4.350 0.001 0.000 0.196 1143 E C 1.852 178.503 176.600 0.084 0.000 1.003 1143 E CA 1.410 57.858 56.400 0.080 0.000 0.809 1143 E CB -0.724 29.021 29.700 0.075 0.000 0.755 1143 E HN 0.260 nan 8.360 nan 0.000 0.449 1144 D N 0.336 120.800 120.400 0.107 0.000 2.117 1144 D HA -0.121 4.519 4.640 0.001 0.000 0.197 1144 D C 1.885 178.238 176.300 0.089 0.000 0.987 1144 D CA 1.338 55.385 54.000 0.078 0.000 0.829 1144 D CB -0.293 40.535 40.800 0.047 0.000 0.961 1144 D HN 0.185 nan 8.370 nan 0.000 0.460 1145 A N 1.522 124.416 122.820 0.123 0.000 1.902 1145 A HA -0.224 4.096 4.320 0.001 0.000 0.217 1145 A C 2.040 179.682 177.584 0.097 0.000 1.181 1145 A CA 2.158 54.270 52.037 0.125 0.000 0.623 1145 A CB -0.534 18.552 19.000 0.143 0.000 0.818 1145 A HN 0.385 nan 8.150 nan 0.000 0.443 1146 K N -0.673 119.773 120.400 0.077 0.000 2.097 1146 K HA -0.120 4.200 4.320 0.001 0.000 0.205 1146 K C 2.117 178.749 176.600 0.052 0.000 1.050 1146 K CA 1.287 57.608 56.287 0.057 0.000 0.938 1146 K CB -0.342 32.186 32.500 0.045 0.000 0.718 1146 K HN 0.345 nan 8.250 nan 0.000 0.442 1147 R N 0.784 121.316 120.500 0.053 0.000 2.073 1147 R HA -0.007 4.333 4.340 0.001 0.000 0.234 1147 R C 2.491 178.825 176.300 0.057 0.000 1.134 1147 R CA 1.607 57.734 56.100 0.045 0.000 0.952 1147 R CB -0.389 29.934 30.300 0.039 0.000 0.850 1147 R HN 0.233 nan 8.270 nan 0.000 0.433 1148 L N -0.112 121.156 121.223 0.074 0.000 2.141 1148 L HA -0.128 4.212 4.340 0.001 0.000 0.209 1148 L C 2.518 179.450 176.870 0.104 0.000 1.094 1148 L CA 1.179 56.077 54.840 0.096 0.000 0.763 1148 L CB -0.266 41.862 42.059 0.115 0.000 0.908 1148 L HN 0.127 nan 8.230 nan 0.000 0.437 1149 R N -0.187 120.364 120.500 0.085 0.000 2.115 1149 R HA -0.026 4.314 4.340 0.001 0.000 0.226 1149 R C 2.379 178.710 176.300 0.052 0.000 1.100 1149 R CA 1.093 57.223 56.100 0.050 0.000 0.980 1149 R CB -0.316 29.998 30.300 0.022 0.000 0.875 1149 R HN 0.324 nan 8.270 nan 0.000 0.445 1150 A N 0.980 123.833 122.820 0.055 0.000 1.929 1150 A HA -0.194 4.126 4.320 0.001 0.000 0.216 1150 A C 2.075 179.710 177.584 0.084 0.000 1.176 1150 A CA 1.006 53.076 52.037 0.055 0.000 0.628 1150 A CB -0.368 18.652 19.000 0.034 0.000 0.816 1150 A HN 0.294 nan 8.150 nan 0.000 0.444 1151 Q N -0.263 119.590 119.800 0.089 0.000 2.124 1151 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 1151 Q C 1.937 178.024 176.000 0.146 0.000 0.977 1151 Q CA 1.795 57.672 55.803 0.123 0.000 0.850 1151 Q CB -0.185 28.615 28.738 0.102 0.000 0.901 1151 Q HN 0.417 nan 8.270 nan 0.000 0.429 1152 V N 0.733 120.722 119.914 0.126 0.000 2.343 1152 V HA -0.269 3.852 4.120 0.001 0.000 0.247 1152 V C 2.288 178.454 176.094 0.120 0.000 1.051 1152 V CA 1.773 64.154 62.300 0.134 0.000 1.036 1152 V CB -0.901 31.012 31.823 0.151 0.000 0.654 1152 V HN 0.504 nan 8.190 nan 0.000 0.451 1153 A N -1.333 121.553 122.820 0.109 0.000 1.972 1153 A HA -0.267 4.053 4.320 0.001 0.000 0.219 1153 A C 2.213 179.865 177.584 0.113 0.000 1.169 1153 A CA 1.881 53.974 52.037 0.094 0.000 0.635 1153 A CB -0.811 18.233 19.000 0.074 0.000 0.810 1153 A HN 0.740 nan 8.150 nan 0.000 0.446 1154 H N -0.228 118.863 119.070 0.034 0.000 2.333 1154 H HA -0.080 4.476 4.556 0.000 0.000 0.302 1154 H C 1.946 177.292 175.328 0.029 0.000 1.075 1154 H CA 1.571 57.635 56.048 0.027 0.000 1.348 1154 H CB 0.071 29.847 29.762 0.023 0.000 1.393 1154 H HN 0.642 nan 8.280 nan 0.000 0.509 1155 E N 0.677 120.840 120.200 -0.062 0.000 2.049 1155 E HA -0.215 4.135 4.350 0.001 0.000 0.198 1155 E C 2.467 179.010 176.600 -0.095 0.000 1.007 1155 E CA 1.686 58.018 56.400 -0.115 0.000 0.809 1155 E CB -0.217 29.476 29.700 -0.012 0.000 0.749 1155 E HN 0.475 nan 8.360 nan 0.000 0.450 1156 L N 0.123 121.330 121.223 -0.026 0.000 2.201 1156 L HA -0.049 4.291 4.340 0.001 0.000 0.212 1156 L C 1.829 178.714 176.870 0.026 0.000 1.105 1156 L CA 2.024 56.865 54.840 0.002 0.000 0.775 1156 L CB -0.555 41.522 42.059 0.030 0.000 0.913 1156 L HN -0.073 nan 8.230 nan 0.000 0.440 1157 D N 0.281 120.673 120.400 -0.014 0.000 2.097 1157 D HA -0.162 4.479 4.640 0.001 0.000 0.197 1157 D C 1.994 178.294 176.300 -0.000 0.000 0.984 1157 D CA 1.539 55.541 54.000 0.004 0.000 0.826 1157 D CB 0.031 40.830 40.800 -0.002 0.000 0.973 1157 D HN 0.137 nan 8.370 nan 0.000 0.460 1158 V N 0.297 120.140 119.914 -0.119 0.000 2.295 1158 V HA -0.188 3.932 4.120 0.001 0.000 0.246 1158 V C 2.595 178.650 176.094 -0.066 0.000 1.049 1158 V CA 1.948 64.174 62.300 -0.123 0.000 1.024 1158 V CB -0.615 31.063 31.823 -0.242 0.000 0.648 1158 V HN 0.203 nan 8.190 nan 0.000 0.447 1159 R N -0.609 119.854 120.500 -0.062 0.000 2.083 1159 R HA -0.223 4.117 4.340 0.001 0.000 0.237 1159 R C 2.237 178.508 176.300 -0.047 0.000 1.137 1159 R CA 2.175 58.235 56.100 -0.066 0.000 0.951 1159 R CB -0.505 29.761 30.300 -0.057 0.000 0.851 1159 R HN 0.433 nan 8.270 nan 0.000 0.434 1160 F N 1.396 121.304 119.950 -0.069 0.000 2.126 1160 F HA -0.187 4.341 4.527 0.002 0.000 0.299 1160 F C 1.992 177.774 175.800 -0.031 0.000 1.096 1160 F CA 1.838 59.817 58.000 -0.036 0.000 1.255 1160 F CB -0.006 38.981 39.000 -0.022 0.000 0.997 1160 F HN -0.024 nan 8.300 nan 0.000 0.479 1161 K N -0.151 120.319 120.400 0.117 0.000 2.097 1161 K HA -0.221 4.100 4.320 0.001 0.000 0.206 1161 K C 2.003 178.578 176.600 -0.042 0.000 1.049 1161 K CA 1.850 58.171 56.287 0.056 0.000 0.933 1161 K CB -0.232 32.299 32.500 0.052 0.000 0.717 1161 K HN 0.326 nan 8.250 nan 0.000 0.442 1162 E N 0.522 120.668 120.200 -0.091 0.000 2.106 1162 E HA -0.105 4.246 4.350 0.001 0.000 0.192 1162 E C 1.845 178.299 176.600 -0.244 0.000 0.984 1162 E CA 0.715 57.041 56.400 -0.123 0.000 0.806 1162 E CB 0.109 29.719 29.700 -0.150 0.000 0.750 1162 E HN 0.196 nan 8.360 nan 0.000 0.458 1163 L N 0.584 121.601 121.223 -0.343 0.000 2.093 1163 L HA -0.169 4.171 4.340 0.001 0.000 0.208 1163 L C 2.250 178.942 176.870 -0.297 0.000 1.085 1163 L CA 1.146 55.713 54.840 -0.454 0.000 0.755 1163 L CB -0.370 41.425 42.059 -0.440 0.000 0.904 1163 L HN 0.154 nan 8.230 nan 0.000 0.435 1164 E N -0.641 119.391 120.200 -0.281 0.000 2.077 1164 E HA -0.287 4.063 4.350 0.001 0.000 0.193 1164 E C 2.063 178.630 176.600 -0.055 0.000 0.989 1164 E CA 1.461 57.783 56.400 -0.131 0.000 0.800 1164 E CB -0.156 29.516 29.700 -0.047 0.000 0.746 1164 E HN 0.495 nan 8.360 nan 0.000 0.452 1165 H N 0.538 119.531 119.070 -0.128 0.000 2.389 1165 H HA -0.021 4.535 4.556 0.000 0.000 0.299 1165 H C 1.922 177.176 175.328 -0.124 0.000 1.081 1165 H CA 1.617 57.603 56.048 -0.104 0.000 1.345 1165 H CB -0.090 29.605 29.762 -0.111 0.000 1.393 1165 H HN 0.048 nan 8.280 nan 0.000 0.520 1166 M N -0.345 118.912 119.600 -0.572 0.000 2.213 1166 M HA -0.102 4.378 4.480 0.001 0.000 0.263 1166 M C 2.452 178.587 176.300 -0.275 0.000 1.062 1166 M CA 1.470 56.381 55.300 -0.649 0.000 1.105 1166 M CB -0.135 31.845 32.600 -1.033 0.000 1.385 1166 M HN 0.508 nan 8.290 nan 0.000 0.417 1167 A N -0.324 122.468 122.820 -0.047 0.000 2.066 1167 A HA 0.150 4.470 4.320 0.001 0.000 0.218 1167 A C 2.083 179.657 177.584 -0.017 0.000 1.157 1167 A CA 1.527 53.622 52.037 0.096 0.000 0.670 1167 A CB -0.465 18.596 19.000 0.101 0.000 0.804 1167 A HN 0.488 nan 8.150 nan 0.000 0.453 1168 A N -1.555 121.231 122.820 -0.057 0.000 2.303 1168 A HA 0.342 4.663 4.320 0.001 0.000 0.217 1168 A C 1.229 178.810 177.584 -0.005 0.000 1.205 1168 A CA 0.747 52.778 52.037 -0.010 0.000 0.875 1168 A CB -0.447 18.574 19.000 0.035 0.000 0.910 1168 A HN 0.320 nan 8.150 nan 0.000 0.501 1169 T N 1.108 115.604 114.554 -0.096 0.000 2.860 1169 T HA 0.235 4.585 4.350 0.001 0.000 0.299 1169 T C 0.726 175.500 174.700 0.122 0.000 1.045 1169 T CA 0.534 62.622 62.100 -0.019 0.000 1.071 1169 T CB 0.163 68.941 68.868 -0.151 0.000 0.985 1169 T HN 0.570 nan 8.240 nan 0.000 0.537 1170 N N 1.987 120.787 118.700 0.167 0.000 2.291 1170 N HA 0.234 4.974 4.740 0.001 0.000 0.244 1170 N C -1.075 174.491 175.510 0.094 0.000 1.216 1170 N CA -0.293 52.913 53.050 0.260 0.000 0.879 1170 N CB -0.052 38.517 38.487 0.137 0.000 1.167 1170 N HN 0.294 nan 8.380 nan 0.000 0.515 1171 I N 1.791 122.448 120.570 0.146 0.000 2.388 1171 I HA 0.405 4.576 4.170 0.001 0.000 0.281 1171 I C -1.253 174.944 176.117 0.134 0.000 1.046 1171 I CA -0.918 60.386 61.300 0.006 0.000 1.187 1171 I CB -0.260 37.756 38.000 0.027 0.000 1.351 1171 I HN 0.114 nan 8.210 nan 0.000 0.472 1172 F N 1.952 121.904 119.950 0.003 0.000 2.591 1172 F HA 0.718 5.245 4.527 0.001 0.000 0.309 1172 F C -0.068 175.758 175.800 0.042 0.000 1.098 1172 F CA -1.428 56.582 58.000 0.016 0.000 0.937 1172 F CB 0.749 39.747 39.000 -0.004 0.000 1.250 1172 F HN 0.191 nan 8.300 nan 0.000 0.447 1173 E N 1.247 121.581 120.200 0.223 0.000 2.415 1173 E HA 0.224 4.574 4.350 0.001 0.000 0.262 1173 E C 0.286 177.032 176.600 0.243 0.000 1.038 1173 E CA -0.132 56.375 56.400 0.178 0.000 0.921 1173 E CB 0.843 30.664 29.700 0.201 0.000 0.950 1173 E HN 0.696 nan 8.360 nan 0.000 0.438 1174 S N 1.520 117.334 115.700 0.190 0.000 2.375 1174 S HA 0.308 4.778 4.470 0.001 0.000 0.231 1174 S C -0.660 174.167 174.600 0.378 0.000 1.319 1174 S CA -0.085 58.253 58.200 0.229 0.000 0.983 1174 S CB 0.154 63.437 63.200 0.138 0.000 0.889 1174 S HN 0.439 nan 8.310 nan 0.000 0.489 1175 F N -0.138 119.890 119.950 0.130 0.000 3.130 1175 F HA 0.486 5.014 4.527 0.001 0.000 0.349 1175 F C -1.060 174.800 175.800 0.101 0.000 1.158 1175 F CA -0.442 57.647 58.000 0.147 0.000 1.274 1175 F CB -0.017 39.096 39.000 0.188 0.000 1.594 1175 F HN 0.539 nan 8.300 nan 0.000 0.720 1176 A N 7.096 129.629 122.820 -0.479 0.000 2.256 1176 A HA 0.706 5.026 4.320 0.001 0.000 0.317 1176 A C -2.058 175.032 177.584 -0.824 0.000 1.318 1176 A CA -1.359 50.364 52.037 -0.524 0.000 0.894 1176 A CB 0.568 19.424 19.000 -0.240 0.000 1.165 1176 A HN 0.586 nan 8.150 nan 0.000 0.525 1177 P HA 0.127 nan 4.420 nan 0.000 0.220 1177 P C 0.534 177.638 177.300 -0.327 0.000 1.148 1177 P CA 1.898 64.632 63.100 -0.610 0.000 0.803 1177 P CB 0.238 31.723 31.700 -0.359 0.000 0.782 1178 A N -3.159 119.498 122.820 -0.272 0.000 2.431 1178 A HA 0.504 4.825 4.320 0.001 0.000 0.276 1178 A C -0.760 176.738 177.584 -0.143 0.000 1.011 1178 A CA -0.291 51.633 52.037 -0.188 0.000 0.538 1178 A CB -0.627 18.281 19.000 -0.154 0.000 1.591 1178 A HN 0.519 nan 8.150 nan 0.000 0.728 1179 G N -1.767 106.970 108.800 -0.105 0.000 3.434 1179 G HA2 0.648 4.608 3.960 0.001 0.000 0.686 1179 G HA3 0.648 4.608 3.960 0.001 0.000 0.686 1179 G C 0.491 175.352 174.900 -0.066 0.000 1.099 1179 G CA 0.923 45.976 45.100 -0.078 0.000 0.931 1179 G HN 3.134 nan 8.290 nan 0.000 0.520 1180 G N 3.031 111.802 108.800 -0.050 0.000 2.061 1180 G HA2 0.530 4.491 3.960 0.001 0.000 0.059 1180 G HA3 0.530 4.491 3.960 0.001 0.000 0.059 1180 G C 1.075 175.956 174.900 -0.032 0.000 1.013 1180 G CA 1.325 46.400 45.100 -0.041 0.000 1.185 1180 G HN 2.389 nan 8.290 nan 0.000 0.410 1181 K N -0.167 120.214 120.400 -0.033 0.000 6.348 1181 K HA -0.049 4.271 4.320 0.001 0.000 0.437 1181 K C 1.679 178.269 176.600 -0.017 0.000 0.648 1181 K CA 3.328 59.600 56.287 -0.025 0.000 1.392 1181 K CB -2.067 30.415 32.500 -0.029 0.000 0.964 1181 K HN 2.779 nan 8.250 nan 0.000 0.859 1182 A N 0.563 123.375 122.820 -0.013 0.000 6.848 1182 A HA -0.130 4.191 4.320 0.001 0.000 0.247 1182 A C -0.554 177.027 177.584 -0.005 0.000 2.199 1182 A CA 0.871 52.904 52.037 -0.007 0.000 0.681 1182 A CB -1.632 17.362 19.000 -0.010 0.000 1.069 1182 A HN 0.725 nan 8.150 nan 0.000 0.381 1183 D N 0.477 120.875 120.400 -0.003 0.000 2.493 1183 D HA 0.491 5.132 4.640 0.001 0.000 0.240 1183 D C 0.586 176.884 176.300 -0.004 0.000 1.142 1183 D CA 2.351 56.350 54.000 -0.003 0.000 0.872 1183 D CB 0.561 41.359 40.800 -0.003 0.000 1.173 1183 D HN 2.026 nan 8.370 nan 0.000 0.467 1184 G N 0.630 109.427 108.800 -0.004 0.000 2.535 1184 G HA2 0.406 4.366 3.960 0.001 0.000 0.662 1184 G HA3 0.406 4.366 3.960 0.001 0.000 0.662 1184 G C -0.904 173.994 174.900 -0.003 0.000 1.417 1184 G CA -0.480 44.617 45.100 -0.005 0.000 0.866 1184 G HN 0.904 nan 8.290 nan 0.000 0.647 1185 S N -0.996 114.702 115.700 -0.003 0.000 2.537 1185 S HA 0.858 5.329 4.470 0.001 0.000 0.271 1185 S C -1.270 173.329 174.600 -0.002 0.000 1.148 1185 S CA -0.166 58.035 58.200 0.001 0.000 0.868 1185 S CB 2.142 65.343 63.200 0.002 0.000 1.115 1185 S HN 2.283 nan 8.310 nan 0.000 0.461 1186 V N 1.456 121.372 119.914 0.004 0.000 2.789 1186 V HA 0.619 4.739 4.120 0.001 0.000 0.311 1186 V C -1.196 174.895 176.094 -0.004 0.000 1.073 1186 V CA -0.623 61.675 62.300 -0.005 0.000 0.921 1186 V CB 1.963 33.787 31.823 0.001 0.000 1.009 1186 V HN 1.148 nan 8.190 nan 0.000 0.426 1187 D N 3.241 123.608 120.400 -0.054 0.000 2.350 1187 D HA 0.198 4.838 4.640 0.001 0.000 0.249 1187 D C 1.009 177.233 176.300 -0.126 0.000 1.119 1187 D CA -0.020 53.898 54.000 -0.136 0.000 0.886 1187 D CB 0.871 41.528 40.800 -0.239 0.000 1.195 1187 D HN 0.497 nan 8.370 nan 0.000 0.437 1188 F N 1.519 121.469 119.950 0.000 0.000 2.494 1188 F HA 0.155 4.683 4.527 0.001 0.000 0.298 1188 F C 1.665 177.469 175.800 0.007 0.000 1.106 1188 F CA 0.486 58.488 58.000 0.003 0.000 1.452 1188 F CB -0.552 38.449 39.000 0.002 0.000 1.085 1188 F HN 0.302 nan 8.300 nan 0.000 0.569 1189 G N -0.232 108.321 108.800 -0.412 0.000 2.744 1189 G HA2 0.008 3.968 3.960 0.001 0.000 0.211 1189 G HA3 0.008 3.968 3.960 0.001 0.000 0.211 1189 G C 0.269 175.112 174.900 -0.095 0.000 1.146 1189 G CA -0.372 44.597 45.100 -0.218 0.000 0.787 1189 G HN 0.394 nan 8.290 nan 0.000 0.534 1190 E N 0.428 120.568 120.200 -0.099 0.000 2.558 1190 E HA 0.314 4.664 4.350 0.001 0.000 0.255 1190 E C 1.309 177.899 176.600 -0.018 0.000 0.968 1190 E CA 0.522 56.889 56.400 -0.055 0.000 0.939 1190 E CB 0.264 29.935 29.700 -0.049 0.000 0.921 1190 E HN 0.284 nan 8.360 nan 0.000 0.477 1191 G N 2.500 111.289 108.800 -0.018 0.000 2.168 1191 G HA2 -0.337 3.624 3.960 0.001 0.000 0.257 1191 G HA3 -0.337 3.624 3.960 0.001 0.000 0.257 1191 G C 0.319 175.227 174.900 0.013 0.000 0.997 1191 G CA 0.138 45.234 45.100 -0.005 0.000 0.708 1191 G HN 0.752 nan 8.290 nan 0.000 0.520 1192 A N -0.609 122.226 122.820 0.025 0.000 2.388 1192 A HA 0.683 5.003 4.320 0.001 0.000 0.257 1192 A C 1.153 178.769 177.584 0.053 0.000 1.095 1192 A CA 0.801 52.876 52.037 0.064 0.000 0.791 1192 A CB 0.386 19.442 19.000 0.094 0.000 1.029 1192 A HN 0.338 nan 8.150 nan 0.000 0.489 1193 E N 0.799 121.055 120.200 0.093 0.000 2.204 1193 E HA 0.042 4.392 4.350 0.001 0.000 0.194 1193 E C -0.605 175.889 176.600 -0.176 0.000 0.989 1193 E CA 1.231 57.623 56.400 -0.012 0.000 0.824 1193 E CB -0.103 29.640 29.700 0.072 0.000 0.756 1193 E HN 0.628 nan 8.360 nan 0.000 0.477 1194 F N -1.137 118.821 119.950 0.012 0.000 2.593 1194 F HA 0.327 4.854 4.527 0.001 0.000 0.320 1194 F C 0.079 175.891 175.800 0.019 0.000 1.060 1194 F CA -1.772 56.236 58.000 0.013 0.000 0.940 1194 F CB 0.867 39.875 39.000 0.014 0.000 1.268 1194 F HN -0.281 nan 8.300 nan 0.000 0.475 1195 c N 1.302 120.019 118.600 0.196 0.000 2.502 1195 c HA 0.069 4.639 4.570 0.001 0.000 0.404 1195 c C 1.672 175.845 174.090 0.138 0.000 1.409 1195 c CA 0.414 56.816 56.329 0.122 0.000 1.648 1195 c CB -0.401 42.167 42.510 0.096 0.000 2.571 1195 c HN 0.920 nan 8.230 nan 0.000 0.601 1196 T N 2.331 116.957 114.554 0.120 0.000 3.023 1196 T HA 0.131 4.481 4.350 0.001 0.000 0.253 1196 T C 0.734 175.551 174.700 0.195 0.000 1.038 1196 T CA 0.475 62.680 62.100 0.174 0.000 0.962 1196 T CB 0.011 68.995 68.868 0.194 0.000 1.018 1196 T HN 0.650 nan 8.240 nan 0.000 0.521 1197 R N 1.697 122.271 120.500 0.122 0.000 2.837 1197 R HA 0.471 4.811 4.340 0.001 0.000 0.271 1197 R C -1.065 175.277 176.300 0.070 0.000 0.993 1197 R CA -0.900 55.265 56.100 0.108 0.000 0.931 1197 R CB 1.376 31.724 30.300 0.079 0.000 1.206 1197 R HN 0.207 nan 8.270 nan 0.000 0.474 1198 D N -0.717 119.717 120.400 0.057 0.000 2.511 1198 D HA 0.069 4.709 4.640 0.001 0.000 0.276 1198 D C -0.205 176.112 176.300 0.030 0.000 1.220 1198 D CA -0.431 53.593 54.000 0.040 0.000 1.077 1198 D CB 0.462 41.281 40.800 0.031 0.000 1.126 1198 D HN 0.277 nan 8.370 nan 0.000 0.583 1199 D N -1.064 119.350 120.400 0.023 0.000 2.561 1199 D HA 0.151 4.791 4.640 0.001 0.000 0.232 1199 D C -0.283 176.025 176.300 0.013 0.000 1.198 1199 D CA -0.028 53.982 54.000 0.017 0.000 0.826 1199 D CB -0.081 40.728 40.800 0.016 0.000 0.992 1199 D HN 0.194 nan 8.370 nan 0.000 0.490 1200 T N 0.529 115.091 114.554 0.014 0.000 2.934 1200 T HA 0.256 4.606 4.350 0.001 0.000 0.283 1200 T C -1.539 173.165 174.700 0.006 0.000 1.005 1200 T CA -1.540 60.566 62.100 0.010 0.000 1.041 1200 T CB 2.249 71.123 68.868 0.010 0.000 1.042 1200 T HN -0.151 nan 8.240 nan 0.000 0.505 1201 P HA 0.115 nan 4.420 nan 0.000 0.225 1201 P C 1.372 178.669 177.300 -0.004 0.000 1.156 1201 P CA 0.797 63.894 63.100 -0.004 0.000 0.787 1201 P CB 0.097 31.791 31.700 -0.010 0.000 0.802 1202 M N -1.991 117.608 119.600 -0.002 0.000 2.175 1202 M HA -0.059 4.421 4.480 0.001 0.000 0.264 1202 M C 1.874 178.181 176.300 0.012 0.000 1.063 1202 M CA 1.715 57.015 55.300 -0.001 0.000 1.119 1202 M CB -0.543 32.056 32.600 -0.002 0.000 1.377 1202 M HN -0.081 nan 8.290 nan 0.000 0.415 1203 M N -0.297 119.315 119.600 0.021 0.000 2.495 1203 M HA 0.208 4.688 4.480 0.001 0.000 0.237 1203 M C 0.561 176.876 176.300 0.025 0.000 1.131 1203 M CA -0.305 55.017 55.300 0.037 0.000 1.032 1203 M CB -0.076 32.556 32.600 0.053 0.000 1.513 1203 M HN 0.114 nan 8.290 nan 0.000 0.488 1204 A N 2.019 124.846 122.820 0.012 0.000 2.511 1204 A HA 0.374 4.694 4.320 0.001 0.000 0.242 1204 A C 0.203 177.786 177.584 -0.001 0.000 1.069 1204 A CA 0.285 52.324 52.037 0.003 0.000 0.763 1204 A CB 0.310 19.309 19.000 -0.002 0.000 1.001 1204 A HN 0.315 nan 8.150 nan 0.000 0.498 1205 R N 1.620 122.115 120.500 -0.009 0.000 2.836 1205 R HA 0.390 4.730 4.340 0.001 0.000 0.269 1205 R C -2.277 174.011 176.300 -0.019 0.000 1.010 1205 R CA -1.935 54.156 56.100 -0.014 0.000 0.930 1205 R CB 0.278 30.565 30.300 -0.022 0.000 1.218 1205 R HN 0.372 nan 8.270 nan 0.000 0.473 1206 P HA -0.127 nan 4.420 nan 0.000 0.216 1206 P C 0.107 177.392 177.300 -0.024 0.000 1.153 1206 P CA 1.361 64.449 63.100 -0.020 0.000 0.858 1206 P CB 0.318 32.006 31.700 -0.020 0.000 0.789 1207 D N -1.375 119.006 120.400 -0.032 0.000 2.342 1207 D HA 0.049 4.690 4.640 0.001 0.000 0.221 1207 D C 0.622 176.897 176.300 -0.041 0.000 1.101 1207 D CA 0.319 54.297 54.000 -0.037 0.000 0.837 1207 D CB 0.001 40.774 40.800 -0.045 0.000 0.938 1207 D HN 0.265 nan 8.370 nan 0.000 0.508 1208 S N -1.531 114.147 115.700 -0.036 0.000 2.693 1208 S HA 0.614 5.084 4.470 0.001 0.000 0.276 1208 S C 1.169 175.755 174.600 -0.024 0.000 1.192 1208 S CA 0.150 58.329 58.200 -0.034 0.000 0.994 1208 S CB 2.414 65.597 63.200 -0.028 0.000 1.012 1208 S HN 0.169 nan 8.310 nan 0.000 0.550 1209 G N -0.429 108.359 108.800 -0.020 0.000 2.227 1209 G HA2 -0.147 3.813 3.960 0.001 0.000 0.168 1209 G HA3 -0.147 3.813 3.960 0.001 0.000 0.168 1209 G C -0.231 174.660 174.900 -0.016 0.000 1.006 1209 G CA -0.047 45.044 45.100 -0.015 0.000 0.684 1209 G HN 0.983 nan 8.290 nan 0.000 0.489 1210 E N 1.015 121.203 120.200 -0.020 0.000 2.343 1210 E HA 0.655 5.005 4.350 0.001 0.000 0.269 1210 E C 0.922 177.511 176.600 -0.019 0.000 1.047 1210 E CA -0.003 56.384 56.400 -0.022 0.000 0.874 1210 E CB 0.904 30.587 29.700 -0.028 0.000 1.033 1210 E HN 0.696 nan 8.360 nan 0.000 0.409 1211 A N 2.764 125.572 122.820 -0.020 0.000 2.445 1211 A HA 0.398 4.718 4.320 0.001 0.000 0.242 1211 A C -0.199 177.369 177.584 -0.027 0.000 1.075 1211 A CA 0.034 52.059 52.037 -0.020 0.000 0.777 1211 A CB -0.478 18.509 19.000 -0.023 0.000 1.013 1211 A HN 0.812 nan 8.150 nan 0.000 0.493 1212 c N -0.049 118.536 118.600 -0.025 0.000 3.306 1212 c HA 0.608 5.179 4.570 0.001 0.000 0.335 1212 c C -0.809 173.259 174.090 -0.036 0.000 1.382 1212 c CA -1.033 55.273 56.329 -0.038 0.000 1.254 1212 c CB 1.044 43.547 42.510 -0.013 0.000 1.555 1212 c HN 0.816 nan 8.230 nan 0.000 0.463 1213 D N 0.891 121.241 120.400 -0.083 0.000 2.336 1213 D HA 0.125 4.765 4.640 0.001 0.000 0.249 1213 D C 0.487 176.859 176.300 0.119 0.000 1.213 1213 D CA 0.710 54.672 54.000 -0.063 0.000 0.870 1213 D CB 1.084 41.673 40.800 -0.352 0.000 1.076 1213 D HN 0.739 nan 8.370 nan 0.000 0.483 1214 Q N 3.009 122.876 119.800 0.112 0.000 2.329 1214 Q HA 0.001 4.342 4.340 0.001 0.000 0.208 1214 Q C -0.279 175.811 176.000 0.149 0.000 0.934 1214 Q CA 0.047 55.924 55.803 0.124 0.000 0.951 1214 Q CB -0.338 28.442 28.738 0.069 0.000 1.017 1214 Q HN 0.552 nan 8.270 nan 0.000 0.490 1215 N N -0.659 118.190 118.700 0.249 0.000 2.741 1215 N HA -0.203 4.538 4.740 0.001 0.000 0.250 1215 N C -0.128 175.439 175.510 0.095 0.000 1.115 1215 N CA 0.738 53.895 53.050 0.178 0.000 0.724 1215 N CB -0.452 38.065 38.487 0.051 0.000 1.090 1215 N HN 0.270 nan 8.380 nan 0.000 0.558 1216 R N -0.604 119.951 120.500 0.093 0.000 2.362 1216 R HA 0.375 4.715 4.340 0.001 0.000 0.227 1216 R C 1.148 177.480 176.300 0.054 0.000 0.905 1216 R CA 0.758 56.891 56.100 0.056 0.000 1.067 1216 R CB 0.531 30.857 30.300 0.043 0.000 1.078 1216 R HN 0.282 nan 8.270 nan 0.000 0.516 1217 A N 0.231 123.097 122.820 0.077 0.000 2.469 1217 A HA 0.462 4.782 4.320 0.001 0.000 0.245 1217 A C 0.672 178.300 177.584 0.073 0.000 1.221 1217 A CA 0.315 52.391 52.037 0.066 0.000 0.946 1217 A CB 0.617 19.655 19.000 0.062 0.000 1.049 1217 A HN 0.325 nan 8.150 nan 0.000 0.529 1218 G N -1.025 107.825 108.800 0.083 0.000 2.631 1218 G HA2 0.004 3.964 3.960 0.001 0.000 0.504 1218 G HA3 0.004 3.964 3.960 0.001 0.000 0.504 1218 G C -0.048 174.915 174.900 0.106 0.000 1.306 1218 G CA -0.505 44.633 45.100 0.063 0.000 0.897 1218 G HN 0.617 nan 8.290 nan 0.000 0.520 1219 T N 0.222 114.811 114.554 0.058 0.000 2.663 1219 T HA 0.363 4.713 4.350 0.001 0.000 0.325 1219 T C 2.025 176.831 174.700 0.176 0.000 1.059 1219 T CA 0.655 62.799 62.100 0.073 0.000 1.039 1219 T CB 0.725 69.603 68.868 0.018 0.000 0.996 1219 T HN 0.863 nan 8.240 nan 0.000 0.539 1220 S N 0.874 116.713 115.700 0.231 0.000 2.368 1220 S HA -0.113 4.357 4.470 0.001 0.000 0.224 1220 S C 2.259 176.918 174.600 0.099 0.000 1.029 1220 S CA 1.039 59.360 58.200 0.202 0.000 0.988 1220 S CB -0.205 63.123 63.200 0.214 0.000 0.838 1220 S HN 0.829 nan 8.310 nan 0.000 0.462 1221 E N 1.869 122.113 120.200 0.074 0.000 2.106 1221 E HA -0.198 4.153 4.350 0.001 0.000 0.192 1221 E C 1.820 178.443 176.600 0.038 0.000 0.984 1221 E CA 0.918 57.345 56.400 0.044 0.000 0.806 1221 E CB -0.588 29.130 29.700 0.031 0.000 0.750 1221 E HN 0.592 nan 8.360 nan 0.000 0.458 1222 Q N 0.793 120.618 119.800 0.042 0.000 2.050 1222 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 1222 Q C 2.396 178.417 176.000 0.036 0.000 0.980 1222 Q CA 1.728 57.552 55.803 0.034 0.000 0.840 1222 Q CB -0.210 28.547 28.738 0.032 0.000 0.898 1222 Q HN 0.430 nan 8.270 nan 0.000 0.424 1223 Q N -0.123 119.708 119.800 0.052 0.000 2.084 1223 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 1223 Q C 2.236 178.253 176.000 0.027 0.000 0.978 1223 Q CA 1.235 57.064 55.803 0.042 0.000 0.844 1223 Q CB -0.309 28.461 28.738 0.053 0.000 0.898 1223 Q HN 0.510 nan 8.270 nan 0.000 0.426 1224 G N 0.991 109.809 108.800 0.030 0.000 2.446 1224 G HA2 -0.341 3.620 3.960 0.001 0.000 0.217 1224 G HA3 -0.341 3.620 3.960 0.001 0.000 0.217 1224 G C 0.984 175.893 174.900 0.015 0.000 1.168 1224 G CA 1.332 46.444 45.100 0.020 0.000 0.771 1224 G HN 0.388 nan 8.290 nan 0.000 0.551 1225 D N -0.393 120.017 120.400 0.017 0.000 2.178 1225 D HA -0.072 4.568 4.640 0.001 0.000 0.202 1225 D C 2.295 178.601 176.300 0.011 0.000 0.974 1225 D CA 0.484 54.491 54.000 0.012 0.000 0.841 1225 D CB -0.197 40.610 40.800 0.012 0.000 0.953 1225 D HN 0.158 nan 8.370 nan 0.000 0.478 1226 L N 0.118 121.349 121.223 0.013 0.000 2.046 1226 L HA -0.085 4.256 4.340 0.001 0.000 0.208 1226 L C 2.270 179.145 176.870 0.008 0.000 1.077 1226 L CA 1.879 56.726 54.840 0.011 0.000 0.747 1226 L CB -1.293 40.774 42.059 0.014 0.000 0.896 1226 L HN 0.064 nan 8.230 nan 0.000 0.432 1227 S N -0.465 115.240 115.700 0.008 0.000 2.359 1227 S HA -0.322 4.148 4.470 0.001 0.000 0.222 1227 S C 2.243 176.845 174.600 0.003 0.000 1.038 1227 S CA 1.965 60.168 58.200 0.004 0.000 1.051 1227 S CB -0.498 62.703 63.200 0.003 0.000 0.944 1227 S HN 0.577 nan 8.310 nan 0.000 0.433 1228 K N 0.431 120.834 120.400 0.004 0.000 2.074 1228 K HA -0.146 4.174 4.320 0.001 0.000 0.209 1228 K C 2.246 178.848 176.600 0.003 0.000 1.048 1228 K CA 1.525 57.814 56.287 0.003 0.000 0.926 1228 K CB -0.227 32.276 32.500 0.004 0.000 0.713 1228 K HN 0.380 nan 8.250 nan 0.000 0.444 1229 R N -0.392 120.111 120.500 0.004 0.000 2.236 1229 R HA -0.033 4.308 4.340 0.001 0.000 0.208 1229 R C 1.785 178.087 176.300 0.003 0.000 1.036 1229 R CA 1.529 57.631 56.100 0.003 0.000 1.001 1229 R CB 0.086 30.388 30.300 0.004 0.000 0.896 1229 R HN 0.436 nan 8.270 nan 0.000 0.464 1230 T N -2.359 112.196 114.554 0.003 0.000 3.003 1230 T HA 0.102 4.453 4.350 0.001 0.000 0.261 1230 T C 1.263 175.964 174.700 0.001 0.000 1.003 1230 T CA -0.225 61.876 62.100 0.002 0.000 0.917 1230 T CB 0.308 69.177 68.868 0.003 0.000 1.084 1230 T HN 0.182 nan 8.240 nan 0.000 0.522 1231 K N 1.682 122.082 120.400 0.001 0.000 2.200 1231 K HA -0.388 3.932 4.320 0.001 0.000 0.206 1231 K C 0.430 177.029 176.600 -0.001 0.000 0.782 1231 K CA 1.786 58.073 56.287 -0.000 0.000 1.047 1231 K CB -1.195 31.305 32.500 -0.000 0.000 0.989 1231 K HN 0.339 nan 8.250 nan 0.000 0.595 1232 K N 0.000 120.400 120.400 -0.001 0.000 2.780 1232 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1232 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543