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 2c3o_1_A 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 3.959 3.960 -0.002 0.000 0.244 2 G C 0.000 174.918 174.900 0.030 0.000 0.946 2 G CA 0.000 45.115 45.100 0.025 0.000 0.502 3 K N -0.174 120.233 120.400 0.012 0.000 2.502 3 K HA 0.861 5.180 4.320 -0.002 0.000 0.256 3 K C -0.510 176.079 176.600 -0.018 0.000 1.053 3 K CA -0.970 55.316 56.287 -0.002 0.000 1.002 3 K CB 1.589 34.081 32.500 -0.013 0.000 1.384 3 K HN 0.502 nan 8.250 nan 0.000 0.537 4 K N 1.201 121.575 120.400 -0.043 0.000 2.385 4 K HA 0.062 4.381 4.320 -0.002 0.000 0.341 4 K C -1.397 175.157 176.600 -0.076 0.000 1.328 4 K CA -0.290 55.965 56.287 -0.053 0.000 1.154 4 K CB 0.517 32.987 32.500 -0.049 0.000 1.409 4 K HN 0.399 nan 8.250 nan 0.000 0.464 5 M N 4.312 123.870 119.600 -0.069 0.000 2.327 5 M HA 0.134 4.613 4.480 -0.002 0.000 0.353 5 M C -0.123 176.133 176.300 -0.072 0.000 1.539 5 M CA 0.947 56.201 55.300 -0.078 0.000 1.039 5 M CB -0.058 32.495 32.600 -0.079 0.000 1.967 5 M HN 0.711 nan 8.290 nan 0.000 0.459 6 M N 3.406 122.959 119.600 -0.078 0.000 2.267 6 M HA 0.316 4.795 4.480 -0.002 0.000 0.289 6 M C -0.652 175.626 176.300 -0.037 0.000 1.043 6 M CA -0.421 54.841 55.300 -0.064 0.000 0.928 6 M CB 2.136 34.676 32.600 -0.100 0.000 1.613 6 M HN 0.759 nan 8.290 nan 0.000 0.450 7 T N 1.334 115.881 114.554 -0.011 0.000 2.738 7 T HA 0.758 5.107 4.350 -0.002 0.000 0.298 7 T C -0.253 174.464 174.700 0.028 0.000 0.962 7 T CA -0.242 61.867 62.100 0.016 0.000 0.972 7 T CB 0.390 69.279 68.868 0.035 0.000 0.928 7 T HN 0.793 nan 8.240 nan 0.000 0.474 8 T N 0.144 114.719 114.554 0.035 0.000 2.665 8 T HA 0.628 4.977 4.350 -0.002 0.000 0.303 8 T C -1.545 173.192 174.700 0.063 0.000 1.334 8 T CA -0.969 61.159 62.100 0.047 0.000 1.011 8 T CB 1.341 70.236 68.868 0.045 0.000 1.573 8 T HN 0.640 nan 8.240 nan 0.000 0.492 9 D N -0.901 119.537 120.400 0.064 0.000 2.442 9 D HA 0.519 5.158 4.640 -0.002 0.000 0.254 9 D C 1.657 177.997 176.300 0.067 0.000 1.069 9 D CA -0.257 53.795 54.000 0.087 0.000 1.017 9 D CB 0.327 41.181 40.800 0.090 0.000 1.172 9 D HN 0.793 nan 8.370 nan 0.000 0.561 10 G N 0.031 108.886 108.800 0.092 0.000 2.513 10 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.219 10 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.219 10 G C 1.191 176.061 174.900 -0.049 0.000 1.160 10 G CA 1.051 46.126 45.100 -0.042 0.000 0.767 10 G HN 0.684 nan 8.290 nan 0.000 0.571 11 N N -0.040 118.753 118.700 0.156 0.000 2.018 11 N HA -0.187 4.552 4.740 -0.002 0.000 0.196 11 N C 2.593 178.137 175.510 0.057 0.000 1.043 11 N CA 2.075 55.215 53.050 0.149 0.000 0.856 11 N CB -0.342 38.155 38.487 0.018 0.000 1.042 11 N HN 0.505 nan 8.380 nan 0.000 0.423 12 T N -1.017 113.561 114.554 0.041 0.000 2.788 12 T HA 0.007 4.356 4.350 -0.002 0.000 0.268 12 T C 1.998 176.826 174.700 0.213 0.000 1.044 12 T CA 1.038 63.216 62.100 0.128 0.000 1.139 12 T CB -0.366 68.581 68.868 0.130 0.000 0.867 12 T HN 0.217 nan 8.240 nan 0.000 0.454 13 A N 2.081 124.972 122.820 0.119 0.000 1.877 13 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 13 A C 2.794 180.476 177.584 0.163 0.000 1.186 13 A CA 2.583 54.695 52.037 0.125 0.000 0.620 13 A CB -1.515 17.519 19.000 0.057 0.000 0.822 13 A HN 0.748 nan 8.150 nan 0.000 0.443 14 T N -2.734 111.864 114.554 0.073 0.000 2.896 14 T HA 0.208 4.557 4.350 -0.002 0.000 0.263 14 T C 1.924 176.705 174.700 0.135 0.000 1.050 14 T CA 1.478 63.626 62.100 0.080 0.000 1.140 14 T CB -0.466 68.468 68.868 0.110 0.000 0.877 14 T HN 0.557 nan 8.240 nan 0.000 0.457 15 A N 1.539 124.478 122.820 0.198 0.000 1.972 15 A HA -0.163 4.156 4.320 -0.002 0.000 0.219 15 A C 2.356 180.258 177.584 0.531 0.000 1.169 15 A CA 1.736 53.931 52.037 0.265 0.000 0.635 15 A CB -1.268 17.749 19.000 0.027 0.000 0.810 15 A HN 0.808 nan 8.150 nan 0.000 0.446 16 H N -0.112 119.200 119.070 0.403 0.000 2.353 16 H HA -0.076 4.479 4.556 -0.002 0.000 0.300 16 H C 1.891 177.327 175.328 0.179 0.000 1.090 16 H CA 2.133 58.366 56.048 0.308 0.000 1.327 16 H CB -0.034 29.855 29.762 0.211 0.000 1.383 16 H HN 0.247 nan 8.280 nan 0.000 0.508 17 V N 1.237 121.259 119.914 0.180 0.000 2.407 17 V HA -0.127 3.992 4.120 -0.002 0.000 0.245 17 V C 3.110 179.159 176.094 -0.075 0.000 1.041 17 V CA 1.238 63.507 62.300 -0.052 0.000 1.040 17 V CB -1.087 30.673 31.823 -0.106 0.000 0.671 17 V HN 0.559 nan 8.190 nan 0.000 0.455 18 A N -0.696 122.170 122.820 0.076 0.000 1.908 18 A HA -0.299 4.020 4.320 -0.002 0.000 0.218 18 A C 2.165 179.811 177.584 0.104 0.000 1.181 18 A CA 2.259 54.379 52.037 0.138 0.000 0.627 18 A CB -0.817 18.300 19.000 0.195 0.000 0.818 18 A HN 0.636 nan 8.150 nan 0.000 0.445 19 Y N 0.391 120.761 120.300 0.116 0.000 2.145 19 Y HA -0.080 4.469 4.550 -0.002 0.000 0.286 19 Y C 2.686 178.541 175.900 -0.075 0.000 1.145 19 Y CA 1.436 59.626 58.100 0.149 0.000 1.148 19 Y CB -0.408 38.274 38.460 0.370 0.000 0.981 19 Y HN 0.315 nan 8.280 nan 0.000 0.507 20 A N -0.086 122.578 122.820 -0.261 0.000 1.933 20 A HA -0.172 4.147 4.320 -0.002 0.000 0.218 20 A C 1.849 179.175 177.584 -0.429 0.000 1.175 20 A CA 1.891 53.496 52.037 -0.720 0.000 0.628 20 A CB -0.494 17.504 19.000 -1.670 0.000 0.814 20 A HN 0.482 nan 8.150 nan 0.000 0.444 21 M N 0.098 119.437 119.600 -0.434 0.000 2.453 21 M HA 0.232 4.711 4.480 -0.002 0.000 0.239 21 M C -0.324 175.792 176.300 -0.307 0.000 1.151 21 M CA 0.305 55.348 55.300 -0.428 0.000 0.989 21 M CB -0.613 31.525 32.600 -0.771 0.000 1.548 21 M HN 0.149 nan 8.290 nan 0.000 0.479 22 S N 0.062 115.635 115.700 -0.212 0.000 2.521 22 S HA 0.402 4.871 4.470 -0.002 0.000 0.295 22 S C 0.636 175.170 174.600 -0.110 0.000 1.098 22 S CA -0.717 57.411 58.200 -0.121 0.000 0.999 22 S CB 2.478 65.633 63.200 -0.075 0.000 1.034 22 S HN 0.263 nan 8.310 nan 0.000 0.483 23 E N 0.677 120.824 120.200 -0.088 0.000 2.251 23 E HA 0.160 4.509 4.350 -0.002 0.000 0.194 23 E C -0.204 176.357 176.600 -0.065 0.000 0.964 23 E CA 0.457 56.790 56.400 -0.111 0.000 0.868 23 E CB 0.412 30.001 29.700 -0.185 0.000 0.828 23 E HN 0.301 nan 8.360 nan 0.000 0.481 24 V N 0.627 120.524 119.914 -0.027 0.000 2.876 24 V HA 0.714 4.833 4.120 -0.002 0.000 0.312 24 V C -1.010 175.104 176.094 0.033 0.000 1.085 24 V CA -0.947 61.359 62.300 0.010 0.000 0.945 24 V CB 1.835 33.671 31.823 0.023 0.000 1.017 24 V HN 0.158 nan 8.190 nan 0.000 0.428 25 A N 2.808 125.661 122.820 0.056 0.000 2.465 25 A HA 0.900 5.219 4.320 -0.002 0.000 0.292 25 A C -0.630 176.997 177.584 0.072 0.000 1.041 25 A CA -0.108 51.971 52.037 0.070 0.000 0.718 25 A CB 1.606 20.692 19.000 0.144 0.000 1.266 25 A HN 1.539 nan 8.150 nan 0.000 0.403 26 A N 2.671 125.512 122.820 0.035 0.000 2.267 26 A HA 0.769 5.088 4.320 -0.002 0.000 0.315 26 A C -0.668 176.917 177.584 0.002 0.000 1.297 26 A CA -0.208 51.838 52.037 0.015 0.000 0.865 26 A CB -0.094 18.911 19.000 0.008 0.000 1.165 26 A HN 0.734 nan 8.150 nan 0.000 0.513 27 I N 0.766 121.333 120.570 -0.006 0.000 3.170 27 I HA 0.617 4.786 4.170 -0.002 0.000 0.312 27 I C -0.763 175.332 176.117 -0.037 0.000 1.085 27 I CA -0.872 60.434 61.300 0.010 0.000 0.999 27 I CB 1.690 39.759 38.000 0.114 0.000 1.233 27 I HN 0.571 nan 8.210 nan 0.000 0.467 28 Y N 3.474 123.682 120.300 -0.154 0.000 2.442 28 Y HA 0.519 5.068 4.550 -0.002 0.000 0.330 28 Y C -2.740 173.098 175.900 -0.104 0.000 1.100 28 Y CA -2.213 55.786 58.100 -0.168 0.000 1.034 28 Y CB 2.042 40.461 38.460 -0.067 0.000 1.285 28 Y HN 0.365 nan 8.280 nan 0.000 0.440 29 P HA 0.361 nan 4.420 nan 0.000 0.268 29 P C -0.882 176.297 177.300 -0.201 0.000 1.205 29 P CA 0.296 63.190 63.100 -0.345 0.000 0.771 29 P CB 1.913 33.371 31.700 -0.404 0.000 0.858 30 I N 0.503 121.026 120.570 -0.078 0.000 2.739 30 I HA 0.103 4.272 4.170 -0.002 0.000 0.287 30 I C -0.916 175.169 176.117 -0.054 0.000 1.558 30 I CA -0.322 60.958 61.300 -0.033 0.000 1.050 30 I CB 1.995 40.023 38.000 0.046 0.000 1.432 30 I HN 0.166 nan 8.210 nan 0.000 0.432 31 T N 8.468 122.979 114.554 -0.072 0.000 2.901 31 T HA 0.308 4.657 4.350 -0.002 0.000 0.301 31 T C -2.257 172.369 174.700 -0.123 0.000 1.012 31 T CA -0.630 61.406 62.100 -0.107 0.000 1.135 31 T CB 0.761 69.579 68.868 -0.083 0.000 0.936 31 T HN 0.471 nan 8.240 nan 0.000 0.539 32 P HA 0.218 nan 4.420 nan 0.000 0.263 32 P C 0.512 177.734 177.300 -0.130 0.000 1.821 32 P CA -0.317 62.580 63.100 -0.338 0.000 1.186 32 P CB 0.055 31.165 31.700 -0.983 0.000 1.623 33 S N -2.407 113.244 115.700 -0.081 0.000 2.511 33 S HA 0.052 4.521 4.470 -0.002 0.000 0.214 33 S C 1.720 176.296 174.600 -0.039 0.000 0.997 33 S CA 0.195 58.383 58.200 -0.020 0.000 0.908 33 S CB -0.624 62.599 63.200 0.040 0.000 0.803 33 S HN -0.023 nan 8.310 nan 0.000 0.504 34 S N 2.609 118.273 115.700 -0.059 0.000 2.380 34 S HA -0.164 4.305 4.470 -0.002 0.000 0.229 34 S C 1.932 176.453 174.600 -0.131 0.000 1.043 34 S CA 2.072 60.232 58.200 -0.067 0.000 1.038 34 S CB -1.087 62.069 63.200 -0.073 0.000 0.872 34 S HN 0.753 nan 8.310 nan 0.000 0.456 35 T N 3.002 117.456 114.554 -0.167 0.000 2.544 35 T HA -0.208 4.141 4.350 -0.002 0.000 0.264 35 T C 1.835 176.328 174.700 -0.345 0.000 1.096 35 T CA 1.826 63.779 62.100 -0.245 0.000 1.181 35 T CB -0.572 68.144 68.868 -0.253 0.000 0.864 35 T HN 0.345 nan 8.240 nan 0.000 0.415 36 M N 0.847 120.230 119.600 -0.361 0.000 2.113 36 M HA -0.156 4.323 4.480 -0.002 0.000 0.255 36 M C 2.799 178.546 176.300 -0.923 0.000 1.073 36 M CA 2.123 57.028 55.300 -0.658 0.000 1.091 36 M CB -1.166 31.012 32.600 -0.702 0.000 1.309 36 M HN 0.487 nan 8.290 nan 0.000 0.407 37 G N -0.213 108.177 108.800 -0.683 0.000 2.475 37 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.220 37 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.220 37 G C 1.304 176.149 174.900 -0.091 0.000 1.125 37 G CA 1.084 46.039 45.100 -0.242 0.000 0.755 37 G HN 0.578 nan 8.290 nan 0.000 0.565 38 E N -0.009 120.021 120.200 -0.283 0.000 2.299 38 E HA -0.003 4.346 4.350 -0.002 0.000 0.193 38 E C 2.285 178.533 176.600 -0.586 0.000 0.998 38 E CA 0.211 56.314 56.400 -0.495 0.000 0.851 38 E CB 0.115 29.561 29.700 -0.423 0.000 0.795 38 E HN 0.430 nan 8.360 nan 0.000 0.492 39 E N 1.260 121.041 120.200 -0.698 0.000 2.001 39 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 39 E C 2.254 178.183 176.600 -1.118 0.000 0.994 39 E CA 0.992 56.682 56.400 -1.183 0.000 0.815 39 E CB -0.498 28.356 29.700 -1.409 0.000 0.770 39 E HN 0.185 nan 8.360 nan 0.000 0.453 40 A N 2.589 125.030 122.820 -0.631 0.000 1.882 40 A HA -0.344 3.975 4.320 -0.002 0.000 0.220 40 A C 2.085 179.704 177.584 0.057 0.000 1.253 40 A CA 2.559 54.604 52.037 0.013 0.000 0.664 40 A CB -1.156 18.011 19.000 0.278 0.000 0.838 40 A HN 0.395 nan 8.150 nan 0.000 0.460 41 D N -0.693 119.684 120.400 -0.039 0.000 2.126 41 D HA -0.219 4.420 4.640 -0.002 0.000 0.190 41 D C 1.499 177.736 176.300 -0.106 0.000 1.001 41 D CA 1.889 55.859 54.000 -0.050 0.000 0.841 41 D CB -0.343 40.280 40.800 -0.296 0.000 0.949 41 D HN 0.491 nan 8.370 nan 0.000 0.446 42 D N -0.277 119.963 120.400 -0.266 0.000 2.087 42 D HA -0.183 4.456 4.640 -0.002 0.000 0.192 42 D C 2.104 178.405 176.300 0.001 0.000 0.993 42 D CA 0.805 54.691 54.000 -0.190 0.000 0.828 42 D CB -0.515 40.104 40.800 -0.302 0.000 0.968 42 D HN 0.456 nan 8.370 nan 0.000 0.448 43 W N 1.395 122.606 121.300 -0.148 0.000 2.325 43 W HA -0.108 4.551 4.660 -0.002 0.000 0.299 43 W C 2.626 179.074 176.519 -0.118 0.000 1.215 43 W CA 0.702 57.907 57.345 -0.233 0.000 1.244 43 W CB -1.343 27.797 29.460 -0.533 0.000 1.140 43 W HN -0.012 nan 8.180 nan 0.000 0.523 44 A N 0.426 123.412 122.820 0.277 0.000 1.873 44 A HA 0.002 4.321 4.320 -0.002 0.000 0.215 44 A C 2.280 179.972 177.584 0.181 0.000 1.186 44 A CA 2.799 55.036 52.037 0.335 0.000 0.616 44 A CB -1.176 18.037 19.000 0.355 0.000 0.823 44 A HN 0.132 nan 8.150 nan 0.000 0.442 45 A N -0.495 122.392 122.820 0.112 0.000 1.908 45 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 45 A C 2.087 179.718 177.584 0.079 0.000 1.181 45 A CA 1.726 53.801 52.037 0.063 0.000 0.627 45 A CB -0.650 18.356 19.000 0.009 0.000 0.818 45 A HN 0.668 nan 8.150 nan 0.000 0.445 46 Q N -1.958 117.896 119.800 0.091 0.000 2.291 46 Q HA 0.129 4.468 4.340 -0.002 0.000 0.206 46 Q C 1.237 177.279 176.000 0.070 0.000 0.976 46 Q CA 0.812 56.664 55.803 0.083 0.000 0.875 46 Q CB -0.107 28.681 28.738 0.083 0.000 0.927 46 Q HN 0.956 nan 8.270 nan 0.000 0.450 47 G N 0.884 109.737 108.800 0.088 0.000 2.164 47 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.154 47 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.154 47 G C -0.102 174.850 174.900 0.087 0.000 1.014 47 G CA -0.277 44.874 45.100 0.085 0.000 0.683 47 G HN 0.167 nan 8.290 nan 0.000 0.500 48 R N 0.842 121.394 120.500 0.088 0.000 2.698 48 R HA 0.451 4.790 4.340 -0.002 0.000 0.266 48 R C 0.148 176.629 176.300 0.301 0.000 1.026 48 R CA 0.566 56.702 56.100 0.058 0.000 1.102 48 R CB 0.381 30.555 30.300 -0.210 0.000 0.978 48 R HN 0.042 nan 8.270 nan 0.000 0.436 49 K N 2.486 123.045 120.400 0.265 0.000 2.259 49 K HA 0.229 4.548 4.320 -0.002 0.000 0.252 49 K C -0.501 176.366 176.600 0.445 0.000 0.936 49 K CA -1.018 55.448 56.287 0.299 0.000 0.810 49 K CB 1.719 34.310 32.500 0.153 0.000 1.143 49 K HN 0.733 nan 8.250 nan 0.000 0.427 50 N N 0.560 119.443 118.700 0.305 0.000 2.431 50 N HA 0.132 4.871 4.740 -0.002 0.000 0.289 50 N C 1.226 176.835 175.510 0.165 0.000 1.277 50 N CA -0.517 52.666 53.050 0.222 0.000 0.972 50 N CB 0.001 38.520 38.487 0.053 0.000 1.143 50 N HN 0.641 nan 8.380 nan 0.000 0.578 51 I N -4.583 115.956 120.570 -0.051 0.000 3.241 51 I HA 0.082 4.251 4.170 -0.002 0.000 0.280 51 I C -0.019 175.842 176.117 -0.427 0.000 1.320 51 I CA 1.036 62.176 61.300 -0.266 0.000 1.413 51 I CB -0.614 37.093 38.000 -0.489 0.000 1.060 51 I HN 0.208 nan 8.210 nan 0.000 0.500 52 F N 1.811 121.765 119.950 0.007 0.000 2.653 52 F HA 0.481 5.007 4.527 -0.002 0.000 0.304 52 F C 1.838 177.654 175.800 0.027 0.000 1.092 52 F CA 0.236 58.243 58.000 0.011 0.000 1.279 52 F CB 0.427 39.426 39.000 -0.001 0.000 1.044 52 F HN 0.225 nan 8.300 nan 0.000 0.564 53 G N 0.359 109.258 108.800 0.164 0.000 2.153 53 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.252 53 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.252 53 G C 0.036 175.017 174.900 0.135 0.000 0.994 53 G CA -0.134 45.043 45.100 0.128 0.000 0.698 53 G HN 0.254 nan 8.290 nan 0.000 0.521 54 Q N 0.457 120.355 119.800 0.162 0.000 2.342 54 Q HA 0.574 4.913 4.340 -0.002 0.000 0.267 54 Q C 0.499 176.570 176.000 0.118 0.000 1.038 54 Q CA 0.107 55.982 55.803 0.120 0.000 0.832 54 Q CB 1.716 30.509 28.738 0.091 0.000 1.323 54 Q HN 0.591 nan 8.270 nan 0.000 0.448 55 T N -1.017 113.609 114.554 0.119 0.000 2.884 55 T HA 0.332 4.681 4.350 -0.002 0.000 0.298 55 T C 0.391 175.132 174.700 0.068 0.000 0.998 55 T CA -0.791 61.410 62.100 0.169 0.000 1.124 55 T CB 0.455 69.435 68.868 0.187 0.000 0.931 55 T HN 0.414 nan 8.240 nan 0.000 0.531 56 L N 3.520 124.714 121.223 -0.047 0.000 2.514 56 L HA 0.240 4.579 4.340 -0.002 0.000 0.280 56 L C 0.453 177.345 176.870 0.037 0.000 1.223 56 L CA 0.858 55.619 54.840 -0.131 0.000 0.864 56 L CB 0.286 42.127 42.059 -0.363 0.000 1.118 56 L HN 0.878 nan 8.230 nan 0.000 0.494 57 T N 6.970 121.538 114.554 0.022 0.000 2.811 57 T HA 0.525 4.874 4.350 -0.002 0.000 0.309 57 T C -0.231 174.514 174.700 0.076 0.000 1.005 57 T CA -0.060 62.071 62.100 0.052 0.000 0.955 57 T CB -0.378 68.506 68.868 0.027 0.000 0.970 57 T HN 0.326 nan 8.240 nan 0.000 0.496 58 I N 3.635 124.276 120.570 0.118 0.000 2.412 58 I HA 0.584 4.753 4.170 -0.002 0.000 0.296 58 I C 0.346 176.536 176.117 0.122 0.000 0.987 58 I CA -0.713 60.677 61.300 0.150 0.000 1.180 58 I CB 1.188 39.336 38.000 0.246 0.000 1.340 58 I HN 0.221 nan 8.210 nan 0.000 0.455 59 R N 3.121 123.666 120.500 0.074 0.000 2.808 59 R HA 0.514 4.853 4.340 -0.002 0.000 0.272 59 R C -1.040 175.217 176.300 -0.071 0.000 0.995 59 R CA -0.963 55.151 56.100 0.023 0.000 0.917 59 R CB 2.095 32.405 30.300 0.018 0.000 1.217 59 R HN 0.658 nan 8.270 nan 0.000 0.471 60 E N 2.150 122.272 120.200 -0.129 0.000 2.183 60 E HA 0.385 4.734 4.350 -0.002 0.000 0.271 60 E C -0.353 176.203 176.600 -0.072 0.000 0.919 60 E CA -0.567 55.688 56.400 -0.241 0.000 0.781 60 E CB 1.057 30.494 29.700 -0.439 0.000 1.140 60 E HN 0.208 nan 8.360 nan 0.000 0.402 61 M N 2.179 121.781 119.600 0.003 0.000 2.686 61 M HA 0.101 4.580 4.480 -0.002 0.000 0.262 61 M C 0.955 177.327 176.300 0.119 0.000 1.139 61 M CA -0.417 54.903 55.300 0.034 0.000 0.928 61 M CB 0.558 33.150 32.600 -0.014 0.000 1.482 61 M HN 0.593 nan 8.290 nan 0.000 0.545 62 Q N 0.784 120.592 119.800 0.013 0.000 2.424 62 Q HA 0.087 4.426 4.340 -0.002 0.000 0.204 62 Q C -0.223 175.562 176.000 -0.359 0.000 0.933 62 Q CA 0.556 56.373 55.803 0.024 0.000 0.929 62 Q CB 0.242 28.980 28.738 0.001 0.000 1.037 62 Q HN 0.749 nan 8.270 nan 0.000 0.511 63 S N -1.531 113.731 115.700 -0.729 0.000 2.643 63 S HA 0.280 4.749 4.470 -0.002 0.000 0.266 63 S C -0.346 173.834 174.600 -0.701 0.000 1.130 63 S CA -0.476 56.970 58.200 -1.257 0.000 0.817 63 S CB 0.546 63.402 63.200 -0.572 0.000 1.107 63 S HN -0.049 nan 8.310 nan 0.000 0.471 64 E N 0.637 120.559 120.200 -0.463 0.000 2.338 64 E HA 0.155 4.504 4.350 -0.002 0.000 0.197 64 E C 1.977 178.498 176.600 -0.132 0.000 1.007 64 E CA 1.321 57.629 56.400 -0.154 0.000 0.849 64 E CB -0.381 29.291 29.700 -0.047 0.000 0.774 64 E HN 0.679 nan 8.360 nan 0.000 0.506 65 A N 0.399 123.131 122.820 -0.148 0.000 1.872 65 A HA 0.004 4.323 4.320 -0.002 0.000 0.214 65 A C 2.418 179.961 177.584 -0.068 0.000 1.187 65 A CA 1.435 53.422 52.037 -0.084 0.000 0.614 65 A CB -1.058 17.893 19.000 -0.081 0.000 0.826 65 A HN 0.358 nan 8.150 nan 0.000 0.442 66 G N -0.467 108.270 108.800 -0.105 0.000 2.432 66 G HA2 0.039 3.998 3.960 -0.002 0.000 0.219 66 G HA3 0.039 3.998 3.960 -0.002 0.000 0.219 66 G C 1.671 176.545 174.900 -0.044 0.000 1.135 66 G CA 1.476 46.535 45.100 -0.068 0.000 0.767 66 G HN 0.738 nan 8.290 nan 0.000 0.550 67 A N 1.508 124.289 122.820 -0.065 0.000 1.835 67 A HA 0.256 4.575 4.320 -0.002 0.000 0.215 67 A C 2.877 180.448 177.584 -0.021 0.000 1.199 67 A CA 2.472 54.483 52.037 -0.043 0.000 0.615 67 A CB -1.158 17.807 19.000 -0.058 0.000 0.838 67 A HN 0.897 nan 8.150 nan 0.000 0.444 68 A N -0.682 122.118 122.820 -0.034 0.000 1.986 68 A HA 0.003 4.322 4.320 -0.002 0.000 0.220 68 A C 2.363 180.026 177.584 0.132 0.000 1.171 68 A CA 2.235 54.301 52.037 0.048 0.000 0.640 68 A CB -1.408 17.625 19.000 0.055 0.000 0.811 68 A HN 0.843 nan 8.150 nan 0.000 0.451 69 G N -0.963 107.889 108.800 0.087 0.000 2.408 69 G HA2 0.081 4.040 3.960 -0.002 0.000 0.217 69 G HA3 0.081 4.040 3.960 -0.002 0.000 0.217 69 G C 1.702 176.658 174.900 0.094 0.000 1.150 69 G CA 1.238 46.405 45.100 0.110 0.000 0.776 69 G HN 0.796 nan 8.290 nan 0.000 0.542 70 A N 0.242 123.097 122.820 0.058 0.000 1.898 70 A HA 0.125 4.444 4.320 -0.002 0.000 0.216 70 A C 2.587 180.220 177.584 0.082 0.000 1.181 70 A CA 1.664 53.727 52.037 0.044 0.000 0.620 70 A CB -0.574 18.440 19.000 0.022 0.000 0.819 70 A HN 0.225 nan 8.150 nan 0.000 0.442 71 V N -0.178 119.806 119.914 0.117 0.000 2.287 71 V HA -0.338 3.781 4.120 -0.002 0.000 0.248 71 V C 2.439 178.675 176.094 0.237 0.000 1.053 71 V CA 2.366 64.767 62.300 0.168 0.000 1.027 71 V CB -1.160 30.791 31.823 0.213 0.000 0.646 71 V HN 0.849 nan 8.190 nan 0.000 0.447 72 H N 0.236 119.387 119.070 0.135 0.000 2.289 72 H HA -0.187 4.368 4.556 -0.002 0.000 0.296 72 H C 2.310 177.694 175.328 0.093 0.000 1.091 72 H CA 1.552 57.676 56.048 0.127 0.000 1.274 72 H CB -0.315 29.517 29.762 0.117 0.000 1.364 72 H HN 0.443 nan 8.280 nan 0.000 0.490 73 G N 0.103 108.913 108.800 0.017 0.000 2.476 73 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.218 73 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.218 73 G C 1.865 176.773 174.900 0.013 0.000 1.164 73 G CA 1.046 46.098 45.100 -0.081 0.000 0.768 73 G HN 0.604 nan 8.290 nan 0.000 0.560 74 A N 0.687 123.547 122.820 0.067 0.000 1.858 74 A HA 0.075 4.394 4.320 -0.002 0.000 0.216 74 A C 2.474 180.143 177.584 0.142 0.000 1.190 74 A CA 1.440 53.527 52.037 0.082 0.000 0.617 74 A CB -0.524 18.528 19.000 0.086 0.000 0.827 74 A HN 0.351 nan 8.150 nan 0.000 0.443 75 L N -0.642 120.705 121.223 0.207 0.000 2.042 75 L HA -0.247 4.092 4.340 -0.002 0.000 0.210 75 L C 3.063 180.103 176.870 0.283 0.000 1.076 75 L CA 1.272 56.298 54.840 0.310 0.000 0.749 75 L CB -0.648 41.575 42.059 0.273 0.000 0.893 75 L HN 0.444 nan 8.230 nan 0.000 0.432 76 A N -0.019 122.921 122.820 0.200 0.000 1.930 76 A HA -0.055 4.264 4.320 -0.002 0.000 0.217 76 A C 2.327 179.922 177.584 0.017 0.000 1.175 76 A CA 1.492 53.602 52.037 0.122 0.000 0.627 76 A CB -0.584 18.455 19.000 0.065 0.000 0.815 76 A HN 0.392 nan 8.150 nan 0.000 0.443 77 A N -1.529 121.292 122.820 0.001 0.000 2.259 77 A HA 0.417 4.736 4.320 -0.002 0.000 0.208 77 A C 1.587 179.115 177.584 -0.093 0.000 1.201 77 A CA 1.077 53.086 52.037 -0.047 0.000 0.824 77 A CB -1.098 17.883 19.000 -0.033 0.000 0.838 77 A HN 1.905 nan 8.150 nan 0.000 0.485 78 G N -2.202 106.502 108.800 -0.160 0.000 2.149 78 G HA2 0.177 4.136 3.960 -0.002 0.000 0.235 78 G HA3 0.177 4.136 3.960 -0.002 0.000 0.235 78 G C 0.123 175.023 174.900 0.001 0.000 1.018 78 G CA 0.210 45.051 45.100 -0.433 0.000 0.728 78 G HN 1.663 nan 8.290 nan 0.000 0.508 79 A N 0.039 123.017 122.820 0.264 0.000 2.342 79 A HA 0.806 5.125 4.320 -0.002 0.000 0.323 79 A C 0.308 178.041 177.584 0.248 0.000 1.125 79 A CA -0.710 51.462 52.037 0.224 0.000 0.785 79 A CB 1.010 20.054 19.000 0.073 0.000 1.221 79 A HN 0.786 nan 8.150 nan 0.000 0.463 80 L N 2.795 124.070 121.223 0.086 0.000 2.456 80 L HA 0.257 4.596 4.340 -0.002 0.000 0.277 80 L C 0.179 177.053 176.870 0.008 0.000 1.124 80 L CA 0.300 55.115 54.840 -0.041 0.000 0.880 80 L CB 0.054 42.064 42.059 -0.082 0.000 1.192 80 L HN 0.756 nan 8.230 nan 0.000 0.463 81 T N 1.158 115.740 114.554 0.047 0.000 2.930 81 T HA 0.775 5.124 4.350 -0.002 0.000 0.290 81 T C 0.063 174.835 174.700 0.119 0.000 1.052 81 T CA -0.604 61.543 62.100 0.079 0.000 1.017 81 T CB 2.304 71.238 68.868 0.110 0.000 1.137 81 T HN 0.735 nan 8.240 nan 0.000 0.511 82 T N -2.027 112.582 114.554 0.091 0.000 2.711 82 T HA 0.792 5.141 4.350 -0.002 0.000 0.302 82 T C -0.995 173.628 174.700 -0.127 0.000 1.373 82 T CA -0.752 61.395 62.100 0.079 0.000 1.000 82 T CB 1.894 70.835 68.868 0.122 0.000 1.483 82 T HN 0.776 nan 8.240 nan 0.000 0.499 83 T N -0.098 114.254 114.554 -0.336 0.000 2.830 83 T HA 0.610 4.959 4.350 -0.002 0.000 0.322 83 T C -2.210 172.123 174.700 -0.612 0.000 1.501 83 T CA -0.774 61.028 62.100 -0.497 0.000 1.036 83 T CB 0.945 69.591 68.868 -0.370 0.000 1.379 83 T HN 0.566 nan 8.240 nan 0.000 0.493 84 F N 1.918 121.891 119.950 0.038 0.000 2.493 84 F HA 0.754 5.280 4.527 -0.002 0.000 0.329 84 F C 0.732 176.521 175.800 -0.018 0.000 1.126 84 F CA -0.644 57.398 58.000 0.069 0.000 0.937 84 F CB 2.209 41.274 39.000 0.108 0.000 1.146 84 F HN 0.593 nan 8.300 nan 0.000 0.442 85 T N 1.059 115.672 114.554 0.097 0.000 2.645 85 T HA 0.927 5.276 4.350 -0.002 0.000 0.300 85 T C -1.590 173.105 174.700 -0.008 0.000 1.210 85 T CA -0.223 61.889 62.100 0.020 0.000 1.034 85 T CB 1.610 70.434 68.868 -0.073 0.000 1.537 85 T HN 1.091 nan 8.240 nan 0.000 0.492 86 A N 0.185 122.992 122.820 -0.022 0.000 2.511 86 A HA 0.776 5.095 4.320 -0.002 0.000 0.293 86 A C 0.727 178.294 177.584 -0.028 0.000 1.098 86 A CA 0.569 52.579 52.037 -0.045 0.000 0.643 86 A CB 0.343 19.306 19.000 -0.061 0.000 1.302 86 A HN 1.868 nan 8.150 nan 0.000 0.446 87 S N -0.778 114.901 115.700 -0.034 0.000 4.099 87 S HA -0.370 4.099 4.470 -0.002 0.000 0.538 87 S C 1.732 176.331 174.600 -0.002 0.000 0.971 87 S CA 2.495 60.685 58.200 -0.016 0.000 3.426 87 S CB -0.906 62.291 63.200 -0.005 0.000 2.317 87 S HN 1.018 nan 8.310 nan 0.000 0.542 88 Q N 0.725 120.537 119.800 0.020 0.000 2.217 88 Q HA -0.128 4.211 4.340 -0.002 0.000 0.209 88 Q C 2.333 178.363 176.000 0.049 0.000 0.988 88 Q CA 1.983 57.811 55.803 0.041 0.000 0.878 88 Q CB -1.361 27.422 28.738 0.075 0.000 0.909 88 Q HN 0.819 nan 8.270 nan 0.000 0.424 89 G N 0.780 109.613 108.800 0.054 0.000 2.403 89 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.216 89 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.216 89 G C 1.454 176.349 174.900 -0.010 0.000 1.154 89 G CA 0.563 45.694 45.100 0.051 0.000 0.784 89 G HN 0.332 nan 8.290 nan 0.000 0.538 90 L N 0.537 121.744 121.223 -0.028 0.000 2.156 90 L HA 0.215 4.554 4.340 -0.002 0.000 0.208 90 L C 2.528 179.373 176.870 -0.043 0.000 1.095 90 L CA 1.101 55.909 54.840 -0.054 0.000 0.770 90 L CB -0.306 41.714 42.059 -0.065 0.000 0.914 90 L HN 0.179 nan 8.230 nan 0.000 0.439 91 L N -1.163 120.046 121.223 -0.024 0.000 2.141 91 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 91 L C 2.112 178.978 176.870 -0.007 0.000 1.094 91 L CA 0.922 55.753 54.840 -0.014 0.000 0.763 91 L CB -0.499 41.559 42.059 -0.002 0.000 0.908 91 L HN 0.263 nan 8.230 nan 0.000 0.437 92 L N -0.890 120.327 121.223 -0.010 0.000 2.599 92 L HA -0.014 4.325 4.340 -0.002 0.000 0.230 92 L C 1.988 178.849 176.870 -0.015 0.000 1.141 92 L CA 0.382 55.213 54.840 -0.014 0.000 0.877 92 L CB -0.140 41.901 42.059 -0.029 0.000 1.009 92 L HN 0.381 nan 8.230 nan 0.000 0.447 93 M N -1.137 118.452 119.600 -0.017 0.000 2.414 93 M HA 0.025 4.504 4.480 -0.002 0.000 0.251 93 M C 1.888 178.201 176.300 0.022 0.000 1.116 93 M CA 0.115 55.417 55.300 0.004 0.000 1.056 93 M CB 0.441 33.026 32.600 -0.024 0.000 1.388 93 M HN 0.106 nan 8.290 nan 0.000 0.487 94 I N 1.251 121.819 120.570 -0.003 0.000 2.091 94 I HA -0.234 3.935 4.170 -0.002 0.000 0.240 94 I C -0.487 175.694 176.117 0.107 0.000 1.046 94 I CA 2.169 63.463 61.300 -0.010 0.000 1.306 94 I CB -2.684 35.340 38.000 0.040 0.000 1.018 94 I HN 0.116 nan 8.210 nan 0.000 0.404 95 P HA -0.134 nan 4.420 nan 0.000 0.215 95 P C 1.594 179.017 177.300 0.205 0.000 1.157 95 P CA 1.485 64.718 63.100 0.221 0.000 0.874 95 P CB -0.091 31.676 31.700 0.112 0.000 0.790 96 N N -1.286 117.497 118.700 0.137 0.000 2.244 96 N HA -0.069 4.670 4.740 -0.002 0.000 0.183 96 N C 1.669 177.241 175.510 0.103 0.000 1.016 96 N CA 1.127 54.253 53.050 0.127 0.000 0.866 96 N CB -0.391 38.189 38.487 0.156 0.000 0.980 96 N HN 0.188 nan 8.380 nan 0.000 0.430 97 M N -0.570 119.069 119.600 0.064 0.000 2.108 97 M HA -0.204 4.275 4.480 -0.002 0.000 0.261 97 M C 1.683 178.041 176.300 0.096 0.000 1.066 97 M CA 1.505 56.793 55.300 -0.020 0.000 1.107 97 M CB -0.486 31.842 32.600 -0.454 0.000 1.356 97 M HN 0.153 nan 8.290 nan 0.000 0.406 98 Y N 0.375 120.713 120.300 0.062 0.000 2.181 98 Y HA -0.208 4.341 4.550 -0.002 0.000 0.288 98 Y C 2.597 178.518 175.900 0.036 0.000 1.146 98 Y CA 1.131 59.269 58.100 0.064 0.000 1.164 98 Y CB -0.263 38.223 38.460 0.044 0.000 0.982 98 Y HN 0.055 nan 8.280 nan 0.000 0.515 99 K N 0.407 120.897 120.400 0.151 0.000 2.002 99 K HA -0.144 4.175 4.320 -0.002 0.000 0.209 99 K C 2.018 178.521 176.600 -0.162 0.000 1.048 99 K CA 1.453 57.725 56.287 -0.026 0.000 0.930 99 K CB -0.732 31.689 32.500 -0.132 0.000 0.714 99 K HN 0.378 nan 8.250 nan 0.000 0.438 100 I N 1.445 121.907 120.570 -0.181 0.000 2.264 100 I HA -0.296 3.873 4.170 -0.002 0.000 0.248 100 I C 2.549 178.608 176.117 -0.097 0.000 1.111 100 I CA 1.541 62.757 61.300 -0.141 0.000 1.382 100 I CB -0.392 37.632 38.000 0.040 0.000 1.060 100 I HN 0.185 nan 8.210 nan 0.000 0.418 101 S N 0.708 116.394 115.700 -0.023 0.000 2.377 101 S HA -0.033 4.436 4.470 -0.002 0.000 0.223 101 S C 2.198 176.804 174.600 0.010 0.000 1.030 101 S CA 0.794 58.954 58.200 -0.068 0.000 0.970 101 S CB -0.984 62.251 63.200 0.058 0.000 0.830 101 S HN 0.432 nan 8.310 nan 0.000 0.473 102 G N 1.709 110.543 108.800 0.058 0.000 2.440 102 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.218 102 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.218 102 G C 1.163 176.078 174.900 0.024 0.000 1.154 102 G CA 0.697 45.838 45.100 0.069 0.000 0.767 102 G HN 0.706 nan 8.290 nan 0.000 0.552 103 E N 0.495 120.698 120.200 0.005 0.000 2.320 103 E HA 0.303 4.652 4.350 -0.002 0.000 0.189 103 E C 0.003 176.581 176.600 -0.037 0.000 1.100 103 E CA -0.481 55.928 56.400 0.015 0.000 1.009 103 E CB -0.128 29.621 29.700 0.082 0.000 1.145 103 E HN 0.302 nan 8.360 nan 0.000 0.454 104 L N 1.641 122.799 121.223 -0.108 0.000 3.828 104 L HA -0.243 4.097 4.340 -0.002 0.000 0.562 104 L C -0.649 176.150 176.870 -0.117 0.000 1.083 104 L CA 0.462 55.182 54.840 -0.200 0.000 0.849 104 L CB -1.160 40.679 42.059 -0.367 0.000 1.134 104 L HN 0.368 nan 8.230 nan 0.000 0.757 105 L N 4.424 125.581 121.223 -0.109 0.000 2.341 105 L HA 0.413 4.752 4.340 -0.002 0.000 0.278 105 L C -1.342 175.445 176.870 -0.138 0.000 1.005 105 L CA -1.714 53.111 54.840 -0.026 0.000 0.818 105 L CB 1.873 43.966 42.059 0.056 0.000 1.259 105 L HN 0.044 nan 8.230 nan 0.000 0.418 106 P HA -0.024 nan 4.420 nan 0.000 0.285 106 P C 0.546 177.731 177.300 -0.192 0.000 1.521 106 P CA 0.084 63.035 63.100 -0.249 0.000 0.792 106 P CB -0.231 31.205 31.700 -0.439 0.000 1.613 107 G N -0.150 108.560 108.800 -0.150 0.000 2.594 107 G HA2 0.371 4.330 3.960 -0.002 0.000 0.243 107 G HA3 0.371 4.330 3.960 -0.002 0.000 0.243 107 G C -0.707 174.155 174.900 -0.064 0.000 1.229 107 G CA -0.085 44.985 45.100 -0.048 0.000 0.843 107 G HN 0.103 nan 8.290 nan 0.000 0.578 108 V N 1.325 121.298 119.914 0.098 0.000 2.733 108 V HA 0.434 4.553 4.120 -0.002 0.000 0.306 108 V C -0.767 175.529 176.094 0.337 0.000 1.084 108 V CA -0.665 61.667 62.300 0.054 0.000 0.905 108 V CB 1.703 33.392 31.823 -0.224 0.000 1.010 108 V HN 0.686 nan 8.190 nan 0.000 0.424 109 F N 2.439 122.371 119.950 -0.030 0.000 2.458 109 F HA 0.552 5.078 4.527 -0.002 0.000 0.336 109 F C 0.056 175.750 175.800 -0.176 0.000 1.114 109 F CA -0.795 57.174 58.000 -0.053 0.000 0.987 109 F CB 1.831 40.839 39.000 0.013 0.000 1.130 109 F HN 0.568 nan 8.300 nan 0.000 0.458 110 H N 1.945 121.160 119.070 0.241 0.000 2.673 110 H HA 0.389 4.944 4.556 -0.002 0.000 0.293 110 H C -0.662 174.794 175.328 0.214 0.000 1.065 110 H CA -0.607 55.632 56.048 0.317 0.000 1.236 110 H CB 1.441 31.491 29.762 0.481 0.000 1.389 110 H HN 0.384 nan 8.280 nan 0.000 0.481 111 V N 1.541 121.549 119.914 0.157 0.000 2.513 111 V HA 0.569 4.688 4.120 -0.002 0.000 0.299 111 V C 0.290 176.203 176.094 -0.303 0.000 1.035 111 V CA -0.826 61.463 62.300 -0.019 0.000 0.889 111 V CB 1.866 33.676 31.823 -0.022 0.000 0.988 111 V HN 0.768 nan 8.190 nan 0.000 0.440 112 T N 2.894 117.230 114.554 -0.362 0.000 2.875 112 T HA 0.694 5.043 4.350 -0.002 0.000 0.307 112 T C 0.459 175.004 174.700 -0.259 0.000 1.013 112 T CA 0.240 62.004 62.100 -0.560 0.000 0.970 112 T CB 0.277 68.905 68.868 -0.401 0.000 0.986 112 T HN 1.855 nan 8.240 nan 0.000 0.536 113 A N 4.078 126.782 122.820 -0.194 0.000 2.572 113 A HA 0.278 4.597 4.320 -0.002 0.000 0.256 113 A C 0.688 178.271 177.584 -0.003 0.000 1.041 113 A CA 0.079 52.074 52.037 -0.070 0.000 0.790 113 A CB -0.245 18.773 19.000 0.030 0.000 0.947 113 A HN 0.985 nan 8.150 nan 0.000 0.518 114 R N 2.347 122.840 120.500 -0.011 0.000 2.771 114 R HA 0.632 4.971 4.340 -0.002 0.000 0.274 114 R C -0.089 176.227 176.300 0.027 0.000 0.987 114 R CA -0.216 55.901 56.100 0.029 0.000 0.908 114 R CB 1.577 31.879 30.300 0.004 0.000 1.213 114 R HN 0.983 nan 8.270 nan 0.000 0.468 115 A N 3.845 126.695 122.820 0.051 0.000 2.466 115 A HA 0.277 4.596 4.320 -0.002 0.000 0.238 115 A C 0.082 177.680 177.584 0.022 0.000 1.074 115 A CA -0.183 51.877 52.037 0.040 0.000 0.774 115 A CB 0.162 19.197 19.000 0.059 0.000 1.015 115 A HN 0.509 nan 8.150 nan 0.000 0.498 116 I N 0.969 121.552 120.570 0.021 0.000 2.440 116 I HA 0.345 4.514 4.170 -0.002 0.000 0.294 116 I C 0.934 177.057 176.117 0.011 0.000 0.995 116 I CA -0.277 61.032 61.300 0.015 0.000 1.306 116 I CB 1.049 39.059 38.000 0.017 0.000 1.407 116 I HN 0.692 nan 8.210 nan 0.000 0.501 117 A N 5.013 127.831 122.820 -0.002 0.000 2.437 117 A HA 0.589 4.908 4.320 -0.002 0.000 0.303 117 A C 0.605 178.182 177.584 -0.010 0.000 1.324 117 A CA 0.215 52.237 52.037 -0.024 0.000 0.983 117 A CB -0.028 18.954 19.000 -0.028 0.000 1.142 117 A HN 0.958 nan 8.150 nan 0.000 0.541 118 A N 2.340 125.166 122.820 0.010 0.000 2.392 118 A HA 0.321 4.640 4.320 -0.002 0.000 0.217 118 A C 1.769 179.403 177.584 0.084 0.000 2.391 118 A CA 0.604 52.685 52.037 0.073 0.000 1.329 118 A CB -0.589 18.503 19.000 0.154 0.000 1.199 118 A HN 0.959 nan 8.150 nan 0.000 0.527 119 H N 0.086 119.175 119.070 0.032 0.000 2.462 119 H HA 0.435 4.990 4.556 -0.002 0.000 0.292 119 H C 0.420 175.793 175.328 0.076 0.000 1.049 119 H CA 1.296 57.378 56.048 0.057 0.000 1.334 119 H CB -0.375 29.421 29.762 0.058 0.000 1.404 119 H HN 0.623 nan 8.280 nan 0.000 0.544 120 A N 0.769 123.232 122.820 -0.594 0.000 2.604 120 A HA 0.492 4.811 4.320 -0.002 0.000 0.295 120 A C -1.146 176.275 177.584 -0.271 0.000 1.067 120 A CA -0.789 51.014 52.037 -0.389 0.000 0.683 120 A CB 1.233 19.965 19.000 -0.446 0.000 1.281 120 A HN 0.291 nan 8.150 nan 0.000 0.407 121 L N 1.016 122.162 121.223 -0.129 0.000 2.418 121 L HA 0.770 5.109 4.340 -0.002 0.000 0.265 121 L C 0.106 176.941 176.870 -0.058 0.000 1.143 121 L CA 0.044 54.839 54.840 -0.074 0.000 0.809 121 L CB 1.465 43.501 42.059 -0.038 0.000 1.124 121 L HN 0.801 nan 8.230 nan 0.000 0.456 122 S N 3.511 119.196 115.700 -0.025 0.000 2.572 122 S HA 0.388 4.857 4.470 -0.002 0.000 0.274 122 S C 0.063 174.660 174.600 -0.005 0.000 1.150 122 S CA -0.831 57.384 58.200 0.025 0.000 0.944 122 S CB 1.317 64.563 63.200 0.076 0.000 1.071 122 S HN 0.671 nan 8.310 nan 0.000 0.479 123 I N 0.904 121.414 120.570 -0.099 0.000 3.904 123 I HA 0.517 4.686 4.170 -0.002 0.000 0.333 123 I C -0.934 175.034 176.117 -0.247 0.000 1.361 123 I CA -0.270 60.919 61.300 -0.185 0.000 1.116 123 I CB -0.227 37.615 38.000 -0.263 0.000 1.028 123 I HN 0.253 nan 8.210 nan 0.000 0.398 124 F N 1.639 121.640 119.950 0.085 0.000 2.450 124 F HA 0.720 5.246 4.527 -0.002 0.000 0.328 124 F C 1.321 177.200 175.800 0.132 0.000 1.068 124 F CA -0.680 57.390 58.000 0.117 0.000 1.007 124 F CB 1.007 39.991 39.000 -0.027 0.000 1.251 124 F HN -0.084 nan 8.300 nan 0.000 0.492 125 G N 0.840 109.881 108.800 0.402 0.000 2.432 125 G HA2 0.484 4.443 3.960 -0.002 0.000 0.257 125 G HA3 0.484 4.443 3.960 -0.002 0.000 0.257 125 G C -1.241 173.742 174.900 0.139 0.000 1.238 125 G CA -0.058 45.188 45.100 0.242 0.000 0.838 125 G HN 0.732 nan 8.290 nan 0.000 0.547 126 D N -1.266 119.198 120.400 0.106 0.000 2.804 126 D HA 0.033 4.672 4.640 -0.002 0.000 0.309 126 D C -0.465 175.920 176.300 0.141 0.000 1.311 126 D CA -0.728 53.269 54.000 -0.005 0.000 0.765 126 D CB -0.023 40.736 40.800 -0.067 0.000 1.293 126 D HN 0.470 nan 8.370 nan 0.000 0.434 127 H N -0.400 118.575 119.070 -0.158 0.000 2.507 127 H HA 0.236 4.791 4.556 -0.002 0.000 0.294 127 H C 0.846 176.075 175.328 -0.166 0.000 1.064 127 H CA -0.150 55.726 56.048 -0.287 0.000 1.138 127 H CB 0.841 30.256 29.762 -0.579 0.000 1.515 127 H HN 0.256 nan 8.280 nan 0.000 0.547 128 Q N 0.986 120.820 119.800 0.057 0.000 2.084 128 Q HA -0.162 4.177 4.340 -0.002 0.000 0.202 128 Q C 1.707 177.725 176.000 0.029 0.000 0.978 128 Q CA 1.797 57.643 55.803 0.072 0.000 0.844 128 Q CB 0.187 28.948 28.738 0.038 0.000 0.898 128 Q HN 0.656 nan 8.270 nan 0.000 0.426 129 D N 0.797 121.177 120.400 -0.034 0.000 2.085 129 D HA -0.183 4.456 4.640 -0.002 0.000 0.199 129 D C 1.898 178.116 176.300 -0.136 0.000 0.981 129 D CA 1.292 55.251 54.000 -0.068 0.000 0.834 129 D CB -0.788 39.968 40.800 -0.074 0.000 0.992 129 D HN 0.390 nan 8.370 nan 0.000 0.457 130 I N -1.726 118.675 120.570 -0.282 0.000 2.315 130 I HA -0.247 3.922 4.170 -0.002 0.000 0.251 130 I C 2.363 178.275 176.117 -0.341 0.000 1.125 130 I CA 1.232 62.247 61.300 -0.475 0.000 1.392 130 I CB -1.111 36.273 38.000 -1.026 0.000 1.065 130 I HN 0.004 nan 8.210 nan 0.000 0.424 131 Y N 0.830 120.978 120.300 -0.254 0.000 2.373 131 Y HA 0.083 4.632 4.550 -0.002 0.000 0.293 131 Y C 2.665 178.508 175.900 -0.094 0.000 1.129 131 Y CA 0.276 58.279 58.100 -0.162 0.000 1.226 131 Y CB -0.058 38.329 38.460 -0.122 0.000 1.000 131 Y HN 0.313 nan 8.280 nan 0.000 0.549 132 A N -0.362 122.495 122.820 0.061 0.000 2.168 132 A HA 0.102 4.421 4.320 -0.002 0.000 0.215 132 A C 1.869 179.442 177.584 -0.019 0.000 1.152 132 A CA 1.254 53.303 52.037 0.020 0.000 0.716 132 A CB -0.499 18.503 19.000 0.003 0.000 0.794 132 A HN 0.313 nan 8.150 nan 0.000 0.465 133 A N -0.044 122.739 122.820 -0.061 0.000 2.503 133 A HA 0.272 4.591 4.320 -0.002 0.000 0.263 133 A C 1.599 179.118 177.584 -0.108 0.000 1.258 133 A CA 0.282 52.241 52.037 -0.131 0.000 0.936 133 A CB -0.326 18.553 19.000 -0.201 0.000 1.070 133 A HN 0.600 nan 8.150 nan 0.000 0.522 134 R N 0.200 120.698 120.500 -0.002 0.000 2.328 134 R HA -0.072 4.267 4.340 -0.002 0.000 0.207 134 R C 1.100 177.405 176.300 0.009 0.000 1.056 134 R CA 1.383 57.525 56.100 0.070 0.000 1.016 134 R CB -0.021 30.425 30.300 0.243 0.000 0.872 134 R HN 0.436 nan 8.270 nan 0.000 0.471 135 Q N 1.017 120.792 119.800 -0.042 0.000 2.172 135 Q HA 0.045 4.384 4.340 -0.002 0.000 0.217 135 Q C 0.473 176.373 176.000 -0.166 0.000 0.832 135 Q CA 0.624 56.405 55.803 -0.036 0.000 1.010 135 Q CB 0.698 29.464 28.738 0.047 0.000 1.133 135 Q HN 0.337 nan 8.270 nan 0.000 0.489 136 T N -3.717 110.614 114.554 -0.371 0.000 3.100 136 T HA 0.322 4.671 4.350 -0.002 0.000 0.253 136 T C 1.334 175.884 174.700 -0.249 0.000 1.118 136 T CA 0.693 62.325 62.100 -0.780 0.000 1.058 136 T CB -0.006 68.456 68.868 -0.677 0.000 0.953 136 T HN 0.530 nan 8.240 nan 0.000 0.515 137 G N 0.590 109.353 108.800 -0.062 0.000 2.132 137 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.234 137 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.234 137 G C -0.224 174.782 174.900 0.177 0.000 0.989 137 G CA -0.382 44.748 45.100 0.051 0.000 0.676 137 G HN 0.492 nan 8.290 nan 0.000 0.522 138 F N 1.508 121.381 119.950 -0.129 0.000 2.379 138 F HA 0.709 5.235 4.527 -0.002 0.000 0.332 138 F C 0.896 176.580 175.800 -0.194 0.000 1.096 138 F CA -0.198 57.687 58.000 -0.192 0.000 1.105 138 F CB 1.527 40.367 39.000 -0.266 0.000 1.189 138 F HN 0.326 nan 8.300 nan 0.000 0.515 139 A N 4.865 127.489 122.820 -0.326 0.000 2.388 139 A HA 0.610 4.929 4.320 -0.002 0.000 0.257 139 A C -0.506 176.965 177.584 -0.188 0.000 1.095 139 A CA -0.414 51.317 52.037 -0.509 0.000 0.791 139 A CB 0.124 18.141 19.000 -1.638 0.000 1.029 139 A HN 0.776 nan 8.150 nan 0.000 0.489 140 M N 3.217 122.831 119.600 0.023 0.000 2.018 140 M HA 0.326 4.805 4.480 -0.002 0.000 0.311 140 M C -1.010 175.520 176.300 0.383 0.000 0.928 140 M CA 0.223 55.700 55.300 0.295 0.000 0.911 140 M CB 1.204 34.029 32.600 0.374 0.000 1.447 140 M HN 0.578 nan 8.290 nan 0.000 0.407 141 L N 2.919 124.363 121.223 0.368 0.000 2.265 141 L HA 0.792 5.131 4.340 -0.002 0.000 0.289 141 L C -0.275 176.582 176.870 -0.021 0.000 1.033 141 L CA -0.385 54.587 54.840 0.220 0.000 0.814 141 L CB 1.222 43.437 42.059 0.261 0.000 1.203 141 L HN 0.785 nan 8.230 nan 0.000 0.423 142 A N 3.259 125.899 122.820 -0.301 0.000 2.312 142 A HA 0.737 5.056 4.320 -0.002 0.000 0.328 142 A C -0.302 177.113 177.584 -0.282 0.000 1.158 142 A CA -0.453 51.102 52.037 -0.804 0.000 0.821 142 A CB 1.321 19.727 19.000 -0.991 0.000 1.170 142 A HN 0.690 nan 8.150 nan 0.000 0.490 143 S N 0.301 115.891 115.700 -0.184 0.000 2.503 143 S HA 0.566 5.035 4.470 -0.002 0.000 0.301 143 S C 0.394 175.026 174.600 0.054 0.000 1.087 143 S CA 0.112 58.322 58.200 0.018 0.000 1.042 143 S CB 1.621 64.936 63.200 0.192 0.000 1.043 143 S HN 1.355 nan 8.310 nan 0.000 0.489 144 S N 0.351 116.109 115.700 0.096 0.000 2.559 144 S HA 0.407 4.876 4.470 -0.002 0.000 0.226 144 S C 0.441 175.136 174.600 0.158 0.000 1.000 144 S CA 0.142 58.429 58.200 0.145 0.000 0.948 144 S CB -0.590 62.701 63.200 0.152 0.000 0.870 144 S HN 1.308 nan 8.310 nan 0.000 0.497 145 S N -0.753 115.031 115.700 0.140 0.000 2.656 145 S HA 0.579 5.048 4.470 -0.002 0.000 0.273 145 S C 0.626 175.285 174.600 0.098 0.000 1.168 145 S CA -0.343 57.936 58.200 0.131 0.000 0.817 145 S CB 0.867 64.142 63.200 0.126 0.000 1.146 145 S HN -0.055 nan 8.310 nan 0.000 0.475 146 V N 1.230 121.200 119.914 0.094 0.000 2.233 146 V HA -0.195 3.924 4.120 -0.002 0.000 0.247 146 V C 2.927 179.054 176.094 0.054 0.000 1.050 146 V CA 2.664 64.999 62.300 0.058 0.000 1.010 146 V CB -1.172 30.696 31.823 0.075 0.000 0.637 146 V HN 0.985 nan 8.190 nan 0.000 0.444 147 Q N 0.435 120.281 119.800 0.077 0.000 2.077 147 Q HA -0.262 4.077 4.340 -0.002 0.000 0.206 147 Q C 2.123 178.196 176.000 0.122 0.000 0.989 147 Q CA 2.335 58.187 55.803 0.082 0.000 0.853 147 Q CB -0.426 28.373 28.738 0.102 0.000 0.907 147 Q HN 0.702 nan 8.270 nan 0.000 0.418 148 E N -0.801 119.473 120.200 0.124 0.000 2.110 148 E HA -0.181 4.168 4.350 -0.002 0.000 0.193 148 E C 1.847 178.459 176.600 0.020 0.000 0.988 148 E CA 0.715 57.161 56.400 0.077 0.000 0.804 148 E CB -0.230 29.519 29.700 0.082 0.000 0.745 148 E HN 0.503 nan 8.360 nan 0.000 0.458 149 A N 1.662 124.492 122.820 0.017 0.000 1.892 149 A HA -0.284 4.035 4.320 -0.002 0.000 0.218 149 A C 2.104 179.682 177.584 -0.010 0.000 1.188 149 A CA 2.045 54.050 52.037 -0.053 0.000 0.631 149 A CB -0.907 17.899 19.000 -0.324 0.000 0.822 149 A HN 0.414 nan 8.150 nan 0.000 0.447 150 H N 0.290 119.320 119.070 -0.066 0.000 2.270 150 H HA -0.132 4.423 4.556 -0.002 0.000 0.299 150 H C 1.531 176.820 175.328 -0.065 0.000 1.077 150 H CA 1.946 57.974 56.048 -0.032 0.000 1.294 150 H CB -0.500 29.257 29.762 -0.009 0.000 1.371 150 H HN 0.430 nan 8.280 nan 0.000 0.491 151 D N 0.752 121.311 120.400 0.266 0.000 2.106 151 D HA -0.167 4.472 4.640 -0.002 0.000 0.191 151 D C 2.371 178.554 176.300 -0.195 0.000 0.997 151 D CA 1.198 55.268 54.000 0.116 0.000 0.834 151 D CB -0.156 40.728 40.800 0.140 0.000 0.956 151 D HN 0.362 nan 8.370 nan 0.000 0.448 152 M N 0.519 119.925 119.600 -0.323 0.000 2.296 152 M HA -0.001 4.478 4.480 -0.002 0.000 0.265 152 M C 2.247 178.188 176.300 -0.598 0.000 1.064 152 M CA 0.440 55.485 55.300 -0.425 0.000 1.109 152 M CB -1.043 31.356 32.600 -0.335 0.000 1.396 152 M HN -0.052 nan 8.290 nan 0.000 0.430 153 A N 0.124 122.529 122.820 -0.692 0.000 1.930 153 A HA -0.102 4.217 4.320 -0.002 0.000 0.217 153 A C 2.302 179.768 177.584 -0.196 0.000 1.175 153 A CA 1.019 52.760 52.037 -0.494 0.000 0.627 153 A CB -0.693 18.204 19.000 -0.172 0.000 0.815 153 A HN 0.451 nan 8.150 nan 0.000 0.443 154 L N -0.273 120.809 121.223 -0.235 0.000 2.023 154 L HA -0.115 4.224 4.340 -0.002 0.000 0.205 154 L C 2.475 179.219 176.870 -0.210 0.000 1.073 154 L CA 1.416 56.153 54.840 -0.172 0.000 0.745 154 L CB -0.343 41.599 42.059 -0.195 0.000 0.900 154 L HN 0.255 nan 8.230 nan 0.000 0.435 155 V N 0.520 120.298 119.914 -0.227 0.000 2.324 155 V HA -0.351 3.768 4.120 -0.002 0.000 0.250 155 V C 2.827 178.663 176.094 -0.430 0.000 1.060 155 V CA 1.750 63.904 62.300 -0.245 0.000 1.042 155 V CB -1.147 30.583 31.823 -0.155 0.000 0.650 155 V HN 0.596 nan 8.190 nan 0.000 0.450 156 A N -0.764 121.781 122.820 -0.459 0.000 1.859 156 A HA -0.296 4.023 4.320 -0.002 0.000 0.217 156 A C 2.144 179.269 177.584 -0.765 0.000 1.198 156 A CA 2.217 53.848 52.037 -0.678 0.000 0.629 156 A CB -0.891 17.844 19.000 -0.442 0.000 0.830 156 A HN 0.663 nan 8.150 nan 0.000 0.446 157 H N -0.270 118.564 119.070 -0.394 0.000 2.293 157 H HA -0.080 4.475 4.556 -0.002 0.000 0.300 157 H C 2.220 177.271 175.328 -0.462 0.000 1.082 157 H CA 1.779 57.624 56.048 -0.339 0.000 1.308 157 H CB -0.598 29.034 29.762 -0.216 0.000 1.375 157 H HN 0.418 nan 8.280 nan 0.000 0.495 158 L N 0.189 121.137 121.223 -0.458 0.000 2.013 158 L HA -0.217 4.122 4.340 -0.002 0.000 0.212 158 L C 2.953 179.294 176.870 -0.882 0.000 1.073 158 L CA 1.195 55.529 54.840 -0.844 0.000 0.753 158 L CB -0.611 40.620 42.059 -1.381 0.000 0.890 158 L HN 0.230 nan 8.230 nan 0.000 0.432 159 A N -0.118 122.255 122.820 -0.745 0.000 1.877 159 A HA -0.166 4.153 4.320 -0.002 0.000 0.216 159 A C 2.551 179.941 177.584 -0.322 0.000 1.186 159 A CA 1.771 53.568 52.037 -0.401 0.000 0.620 159 A CB -0.769 17.874 19.000 -0.595 0.000 0.822 159 A HN 0.416 nan 8.150 nan 0.000 0.443 160 A N -0.134 122.369 122.820 -0.528 0.000 1.865 160 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 160 A C 1.979 179.472 177.584 -0.152 0.000 1.191 160 A CA 1.877 53.796 52.037 -0.196 0.000 0.623 160 A CB -0.682 18.195 19.000 -0.205 0.000 0.826 160 A HN 0.409 nan 8.150 nan 0.000 0.444 161 I N -0.135 120.314 120.570 -0.203 0.000 2.194 161 I HA -0.243 3.926 4.170 -0.002 0.000 0.246 161 I C 2.390 178.466 176.117 -0.068 0.000 1.093 161 I CA 2.079 63.276 61.300 -0.171 0.000 1.355 161 I CB -0.365 37.539 38.000 -0.160 0.000 1.046 161 I HN 0.570 nan 8.210 nan 0.000 0.413 162 E N -0.425 119.767 120.200 -0.013 0.000 2.385 162 E HA -0.081 4.268 4.350 -0.002 0.000 0.194 162 E C 2.044 178.700 176.600 0.094 0.000 1.013 162 E CA 0.861 57.311 56.400 0.083 0.000 0.866 162 E CB 0.159 29.979 29.700 0.198 0.000 0.832 162 E HN 0.550 nan 8.360 nan 0.000 0.500 163 S N -0.502 115.244 115.700 0.077 0.000 2.503 163 S HA 0.063 4.532 4.470 -0.002 0.000 0.215 163 S C 0.629 175.254 174.600 0.042 0.000 1.003 163 S CA 0.425 58.684 58.200 0.098 0.000 0.910 163 S CB -0.069 63.216 63.200 0.142 0.000 0.790 163 S HN 0.343 nan 8.310 nan 0.000 0.514 164 N N -0.117 118.568 118.700 -0.024 0.000 2.753 164 N HA -0.121 4.618 4.740 -0.002 0.000 0.251 164 N C -1.078 174.305 175.510 -0.211 0.000 1.097 164 N CA 0.921 53.906 53.050 -0.110 0.000 0.786 164 N CB -1.617 36.791 38.487 -0.131 0.000 1.137 164 N HN 0.403 nan 8.380 nan 0.000 0.566 165 V N 0.941 120.740 119.914 -0.192 0.000 2.417 165 V HA 0.463 4.582 4.120 -0.002 0.000 0.291 165 V C -1.894 174.018 176.094 -0.304 0.000 1.024 165 V CA -1.635 60.451 62.300 -0.357 0.000 0.861 165 V CB 1.844 33.373 31.823 -0.489 0.000 0.985 165 V HN -0.065 nan 8.190 nan 0.000 0.436 166 P HA 0.211 nan 4.420 nan 0.000 0.271 166 P C -1.134 175.704 177.300 -0.770 0.000 1.216 166 P CA 0.035 62.645 63.100 -0.817 0.000 0.771 166 P CB 0.581 31.301 31.700 -1.634 0.000 0.864 167 F N 1.945 121.581 119.950 -0.524 0.000 2.492 167 F HA 0.507 5.033 4.527 -0.002 0.000 0.327 167 F C 0.895 176.691 175.800 -0.005 0.000 1.079 167 F CA -0.840 57.030 58.000 -0.217 0.000 0.967 167 F CB 2.014 40.901 39.000 -0.188 0.000 1.169 167 F HN 0.161 nan 8.300 nan 0.000 0.472 168 M N 4.624 124.406 119.600 0.304 0.000 2.006 168 M HA 0.283 4.762 4.480 -0.002 0.000 0.314 168 M C -1.594 174.931 176.300 0.375 0.000 0.926 168 M CA -0.644 54.843 55.300 0.312 0.000 0.906 168 M CB 0.304 33.048 32.600 0.240 0.000 1.422 168 M HN 0.727 nan 8.290 nan 0.000 0.397 169 H N 6.090 125.257 119.070 0.162 0.000 2.668 169 H HA 0.493 5.048 4.556 -0.002 0.000 0.303 169 H C -1.869 173.673 175.328 0.356 0.000 1.074 169 H CA -0.116 56.042 56.048 0.183 0.000 1.406 169 H CB 0.304 30.093 29.762 0.045 0.000 1.442 169 H HN 0.563 nan 8.280 nan 0.000 0.482 170 F N 4.657 124.503 119.950 -0.175 0.000 2.576 170 F HA 0.658 5.184 4.527 -0.002 0.000 0.313 170 F C -1.942 173.811 175.800 -0.078 0.000 1.078 170 F CA -1.466 56.399 58.000 -0.225 0.000 0.921 170 F CB 1.237 40.106 39.000 -0.219 0.000 1.232 170 F HN 0.372 nan 8.300 nan 0.000 0.459 171 F N -0.818 119.050 119.950 -0.138 0.000 2.631 171 F HA 0.520 5.046 4.527 -0.002 0.000 0.308 171 F C -1.083 174.776 175.800 0.099 0.000 1.097 171 F CA -1.471 56.485 58.000 -0.073 0.000 0.952 171 F CB 0.906 39.879 39.000 -0.045 0.000 1.307 171 F HN 0.342 nan 8.300 nan 0.000 0.450 172 D N 1.871 122.424 120.400 0.254 0.000 2.520 172 D HA 0.239 4.878 4.640 -0.002 0.000 0.243 172 D C 0.508 176.920 176.300 0.186 0.000 1.160 172 D CA 0.736 54.882 54.000 0.243 0.000 0.877 172 D CB 1.019 42.007 40.800 0.312 0.000 1.150 172 D HN 0.979 nan 8.370 nan 0.000 0.494 173 G N 1.455 110.323 108.800 0.113 0.000 2.343 173 G HA2 0.256 4.215 3.960 -0.002 0.000 0.254 173 G HA3 0.256 4.215 3.960 -0.002 0.000 0.254 173 G C 0.435 175.527 174.900 0.320 0.000 1.277 173 G CA -0.301 44.848 45.100 0.081 0.000 0.909 173 G HN 0.495 nan 8.290 nan 0.000 0.502 174 F N 0.209 120.259 119.950 0.167 0.000 2.568 174 F HA -0.293 4.233 4.527 -0.002 0.000 0.650 174 F C 2.221 178.315 175.800 0.490 0.000 0.492 174 F CA 2.078 60.208 58.000 0.218 0.000 0.801 174 F CB -0.879 38.255 39.000 0.222 0.000 1.661 174 F HN 0.543 nan 8.300 nan 0.000 0.261 175 R N 0.458 121.296 120.500 0.564 0.000 2.189 175 R HA 0.088 4.427 4.340 -0.002 0.000 0.218 175 R C 1.496 178.003 176.300 0.345 0.000 1.074 175 R CA 2.368 58.693 56.100 0.375 0.000 0.991 175 R CB -0.377 30.075 30.300 0.253 0.000 0.883 175 R HN 0.535 nan 8.270 nan 0.000 0.457 176 T N -2.302 112.497 114.554 0.408 0.000 3.177 176 T HA 0.024 4.373 4.350 -0.002 0.000 0.262 176 T C 1.412 176.383 174.700 0.451 0.000 0.959 176 T CA 0.406 62.741 62.100 0.393 0.000 0.996 176 T CB 0.056 69.177 68.868 0.422 0.000 1.185 176 T HN 0.317 nan 8.240 nan 0.000 0.486 177 S N 1.651 117.688 115.700 0.561 0.000 2.382 177 S HA -0.152 4.317 4.470 -0.002 0.000 0.228 177 S C 1.432 176.285 174.600 0.422 0.000 1.027 177 S CA 1.347 59.896 58.200 0.582 0.000 0.991 177 S CB -0.502 62.995 63.200 0.495 0.000 0.823 177 S HN 0.527 nan 8.310 nan 0.000 0.469 178 H N 1.033 120.250 119.070 0.245 0.000 2.542 178 H HA 0.480 5.035 4.556 -0.002 0.000 0.283 178 H C 0.110 175.641 175.328 0.338 0.000 1.059 178 H CA -0.273 55.920 56.048 0.243 0.000 1.162 178 H CB 0.063 29.985 29.762 0.267 0.000 1.539 178 H HN 0.670 nan 8.280 nan 0.000 0.543 179 E N 1.454 121.930 120.200 0.460 0.000 2.227 179 E HA 0.233 4.582 4.350 -0.002 0.000 0.282 179 E C -0.646 176.103 176.600 0.248 0.000 1.015 179 E CA -0.657 55.985 56.400 0.404 0.000 0.823 179 E CB 0.989 30.901 29.700 0.353 0.000 1.081 179 E HN 0.309 nan 8.360 nan 0.000 0.396 180 I N 3.717 124.412 120.570 0.208 0.000 2.377 180 I HA 0.288 4.457 4.170 -0.002 0.000 0.293 180 I C -1.010 175.162 176.117 0.092 0.000 0.987 180 I CA -0.387 60.996 61.300 0.139 0.000 1.185 180 I CB 0.934 39.020 38.000 0.142 0.000 1.341 180 I HN 0.585 nan 8.210 nan 0.000 0.455 181 Q N 5.947 125.795 119.800 0.079 0.000 2.456 181 Q HA 0.301 4.640 4.340 -0.002 0.000 0.283 181 Q C -1.375 174.662 176.000 0.061 0.000 1.084 181 Q CA -0.999 54.848 55.803 0.073 0.000 0.801 181 Q CB 2.706 31.498 28.738 0.090 0.000 1.434 181 Q HN 0.573 nan 8.270 nan 0.000 0.419 182 K N 2.975 123.414 120.400 0.065 0.000 2.310 182 K HA 0.327 4.646 4.320 -0.002 0.000 0.290 182 K C -0.217 176.397 176.600 0.022 0.000 1.077 182 K CA 0.063 56.359 56.287 0.016 0.000 0.922 182 K CB -0.163 32.312 32.500 -0.041 0.000 1.057 182 K HN 0.570 nan 8.250 nan 0.000 0.479 183 I N -0.428 120.137 120.570 -0.009 0.000 3.264 183 I HA 0.512 4.681 4.170 -0.002 0.000 0.309 183 I C -0.840 175.223 176.117 -0.089 0.000 1.099 183 I CA -1.084 60.201 61.300 -0.025 0.000 0.989 183 I CB 1.875 39.857 38.000 -0.030 0.000 1.250 183 I HN 0.502 nan 8.210 nan 0.000 0.478 184 E N 1.957 122.080 120.200 -0.128 0.000 2.179 184 E HA 0.590 4.939 4.350 -0.002 0.000 0.275 184 E C -1.284 175.089 176.600 -0.377 0.000 0.945 184 E CA -0.834 55.459 56.400 -0.178 0.000 0.792 184 E CB 2.156 31.787 29.700 -0.117 0.000 1.125 184 E HN 0.632 nan 8.360 nan 0.000 0.397 185 V N 1.680 121.393 119.914 -0.335 0.000 3.046 185 V HA 0.630 4.749 4.120 -0.002 0.000 0.316 185 V C -0.642 175.407 176.094 -0.075 0.000 1.104 185 V CA -0.982 61.062 62.300 -0.426 0.000 1.006 185 V CB 1.484 33.062 31.823 -0.410 0.000 1.058 185 V HN 0.646 nan 8.190 nan 0.000 0.440 186 L N 1.163 122.549 121.223 0.271 0.000 2.334 186 L HA 0.588 4.927 4.340 -0.002 0.000 0.272 186 L C -0.180 176.891 176.870 0.335 0.000 1.020 186 L CA -0.775 54.222 54.840 0.262 0.000 0.812 186 L CB 1.604 43.833 42.059 0.283 0.000 1.264 186 L HN 0.676 nan 8.230 nan 0.000 0.439 187 D N -0.119 120.412 120.400 0.218 0.000 2.362 187 D HA -0.000 4.639 4.640 -0.002 0.000 0.242 187 D C 0.605 177.076 176.300 0.285 0.000 1.132 187 D CA -0.008 54.126 54.000 0.223 0.000 0.907 187 D CB 0.872 41.737 40.800 0.109 0.000 1.195 187 D HN 0.324 nan 8.370 nan 0.000 0.429 188 Y N 0.904 121.197 120.300 -0.010 0.000 2.333 188 Y HA -0.151 4.398 4.550 -0.002 0.000 0.290 188 Y C 2.256 178.119 175.900 -0.061 0.000 1.144 188 Y CA 0.796 58.860 58.100 -0.059 0.000 1.228 188 Y CB -0.805 37.604 38.460 -0.084 0.000 0.985 188 Y HN 0.470 nan 8.280 nan 0.000 0.542 189 A N 0.059 122.951 122.820 0.121 0.000 1.873 189 A HA -0.183 4.136 4.320 -0.002 0.000 0.215 189 A C 1.932 179.527 177.584 0.019 0.000 1.186 189 A CA 1.907 53.967 52.037 0.040 0.000 0.616 189 A CB -0.859 18.160 19.000 0.032 0.000 0.823 189 A HN 0.374 nan 8.150 nan 0.000 0.442 190 D N -0.266 120.161 120.400 0.045 0.000 2.106 190 D HA -0.192 4.447 4.640 -0.002 0.000 0.191 190 D C 2.088 178.396 176.300 0.013 0.000 0.997 190 D CA 1.883 55.907 54.000 0.038 0.000 0.834 190 D CB -0.292 40.549 40.800 0.068 0.000 0.956 190 D HN 0.463 nan 8.370 nan 0.000 0.448 191 M N 0.396 119.995 119.600 -0.002 0.000 2.065 191 M HA -0.182 4.297 4.480 -0.002 0.000 0.259 191 M C 2.387 178.625 176.300 -0.103 0.000 1.069 191 M CA 1.623 56.884 55.300 -0.065 0.000 1.110 191 M CB -0.472 32.048 32.600 -0.134 0.000 1.328 191 M HN 0.038 nan 8.290 nan 0.000 0.405 192 A N 0.438 123.181 122.820 -0.129 0.000 2.076 192 A HA -0.143 4.176 4.320 -0.002 0.000 0.220 192 A C 2.161 179.678 177.584 -0.113 0.000 1.160 192 A CA 1.998 53.928 52.037 -0.177 0.000 0.653 192 A CB -0.864 18.011 19.000 -0.208 0.000 0.801 192 A HN 0.645 nan 8.150 nan 0.000 0.455 193 S N -1.411 114.255 115.700 -0.058 0.000 2.593 193 S HA 0.211 4.680 4.470 -0.002 0.000 0.217 193 S C 1.229 175.832 174.600 0.005 0.000 0.966 193 S CA 0.249 58.435 58.200 -0.024 0.000 0.914 193 S CB 0.020 63.217 63.200 -0.006 0.000 0.776 193 S HN 0.272 nan 8.310 nan 0.000 0.523 194 L N 1.303 122.529 121.223 0.005 0.000 2.515 194 L HA 0.369 4.708 4.340 -0.002 0.000 0.223 194 L C 0.624 177.543 176.870 0.082 0.000 1.079 194 L CA 0.313 55.197 54.840 0.072 0.000 0.857 194 L CB -0.692 41.416 42.059 0.082 0.000 1.050 194 L HN 0.206 nan 8.230 nan 0.000 0.476 195 V N 2.174 122.076 119.914 -0.021 0.000 2.720 195 V HA -0.116 4.003 4.120 -0.002 0.000 0.307 195 V C 1.003 177.121 176.094 0.040 0.000 1.071 195 V CA 0.087 62.364 62.300 -0.037 0.000 1.199 195 V CB 0.146 31.920 31.823 -0.081 0.000 0.900 195 V HN 0.368 nan 8.190 nan 0.000 0.494 196 N N 4.567 123.310 118.700 0.071 0.000 2.482 196 N HA 0.060 4.799 4.740 -0.002 0.000 0.242 196 N C 1.069 176.622 175.510 0.071 0.000 1.100 196 N CA -0.239 52.869 53.050 0.098 0.000 0.946 196 N CB 1.141 39.711 38.487 0.138 0.000 1.227 196 N HN 0.600 nan 8.380 nan 0.000 0.508 197 Q N 2.873 122.709 119.800 0.060 0.000 2.112 197 Q HA -0.182 4.157 4.340 -0.002 0.000 0.206 197 Q C 1.035 177.079 176.000 0.073 0.000 0.987 197 Q CA 1.761 57.603 55.803 0.065 0.000 0.858 197 Q CB 0.007 28.775 28.738 0.050 0.000 0.905 197 Q HN 0.508 nan 8.270 nan 0.000 0.420 198 K N 0.764 121.203 120.400 0.064 0.000 2.057 198 K HA -0.059 4.261 4.320 -0.002 0.000 0.207 198 K C 2.007 178.654 176.600 0.078 0.000 1.049 198 K CA 1.348 57.672 56.287 0.061 0.000 0.931 198 K CB -0.656 31.874 32.500 0.050 0.000 0.714 198 K HN 0.211 nan 8.250 nan 0.000 0.440 199 A N 0.998 123.869 122.820 0.085 0.000 1.898 199 A HA -0.094 4.225 4.320 -0.002 0.000 0.216 199 A C 2.129 179.793 177.584 0.133 0.000 1.181 199 A CA 1.249 53.346 52.037 0.100 0.000 0.620 199 A CB -0.655 18.397 19.000 0.087 0.000 0.819 199 A HN 0.236 nan 8.150 nan 0.000 0.442 200 L N -0.118 121.181 121.223 0.127 0.000 2.083 200 L HA -0.075 4.264 4.340 -0.002 0.000 0.209 200 L C 2.579 179.574 176.870 0.208 0.000 1.083 200 L CA 2.182 57.131 54.840 0.181 0.000 0.752 200 L CB -0.862 41.299 42.059 0.169 0.000 0.899 200 L HN 0.345 nan 8.230 nan 0.000 0.433 201 A N -0.949 121.954 122.820 0.138 0.000 1.930 201 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 201 A C 2.158 179.792 177.584 0.083 0.000 1.175 201 A CA 1.553 53.649 52.037 0.099 0.000 0.627 201 A CB -0.521 18.519 19.000 0.067 0.000 0.815 201 A HN 0.594 nan 8.150 nan 0.000 0.443 202 E N -1.231 119.028 120.200 0.099 0.000 2.072 202 E HA -0.152 4.197 4.350 -0.002 0.000 0.191 202 E C 1.733 178.390 176.600 0.096 0.000 0.985 202 E CA 1.179 57.627 56.400 0.080 0.000 0.801 202 E CB -0.290 29.463 29.700 0.088 0.000 0.750 202 E HN 0.695 nan 8.360 nan 0.000 0.452 203 F N 2.230 122.191 119.950 0.017 0.000 2.095 203 F HA -0.202 4.324 4.527 -0.002 0.000 0.298 203 F C 2.050 177.862 175.800 0.019 0.000 1.104 203 F CA 1.648 59.655 58.000 0.012 0.000 1.232 203 F CB -0.046 38.961 39.000 0.013 0.000 0.987 203 F HN -0.208 nan 8.300 nan 0.000 0.475 204 R N 0.119 120.487 120.500 -0.220 0.000 2.115 204 R HA -0.006 4.333 4.340 -0.002 0.000 0.230 204 R C 2.416 178.620 176.300 -0.159 0.000 1.111 204 R CA 1.018 56.940 56.100 -0.297 0.000 0.976 204 R CB -0.738 29.516 30.300 -0.075 0.000 0.870 204 R HN 0.407 nan 8.270 nan 0.000 0.445 205 A N 2.145 124.916 122.820 -0.083 0.000 1.968 205 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 205 A C 1.930 179.508 177.584 -0.010 0.000 1.169 205 A CA 1.300 53.307 52.037 -0.049 0.000 0.638 205 A CB -0.166 18.798 19.000 -0.059 0.000 0.812 205 A HN 0.368 nan 8.150 nan 0.000 0.446 206 K N -0.562 119.794 120.400 -0.073 0.000 2.361 206 K HA 0.199 4.518 4.320 -0.002 0.000 0.196 206 K C 0.491 177.010 176.600 -0.136 0.000 1.039 206 K CA 0.486 56.707 56.287 -0.110 0.000 1.001 206 K CB -0.030 32.405 32.500 -0.108 0.000 0.795 206 K HN 0.186 nan 8.250 nan 0.000 0.495 207 S N 1.582 117.189 115.700 -0.155 0.000 2.580 207 S HA 0.090 4.559 4.470 -0.002 0.000 0.266 207 S C 0.307 174.923 174.600 0.026 0.000 1.354 207 S CA -0.454 57.667 58.200 -0.131 0.000 1.008 207 S CB 0.303 63.300 63.200 -0.339 0.000 0.898 207 S HN 0.208 nan 8.310 nan 0.000 0.555 208 M N 2.947 122.574 119.600 0.045 0.000 2.248 208 M HA 0.156 4.635 4.480 -0.002 0.000 0.345 208 M C 0.337 176.541 176.300 -0.161 0.000 1.243 208 M CA 0.622 55.901 55.300 -0.036 0.000 1.090 208 M CB -0.088 32.447 32.600 -0.110 0.000 1.683 208 M HN 0.538 nan 8.290 nan 0.000 0.450 209 N N 3.921 122.453 118.700 -0.279 0.000 3.270 209 N HA 0.147 4.886 4.740 -0.002 0.000 0.227 209 N C -2.640 172.672 175.510 -0.329 0.000 1.071 209 N CA -0.907 51.944 53.050 -0.331 0.000 1.073 209 N CB 1.978 40.191 38.487 -0.457 0.000 1.633 209 N HN 0.240 nan 8.380 nan 0.000 0.664 210 P HA -0.036 nan 4.420 nan 0.000 0.236 210 P C 0.538 177.801 177.300 -0.062 0.000 1.172 210 P CA 0.901 63.936 63.100 -0.107 0.000 0.759 210 P CB 0.614 32.272 31.700 -0.070 0.000 0.843 211 E N 0.150 120.321 120.200 -0.048 0.000 2.385 211 E HA -0.075 4.274 4.350 -0.002 0.000 0.194 211 E C 0.655 177.378 176.600 0.205 0.000 1.013 211 E CA 0.508 56.971 56.400 0.104 0.000 0.866 211 E CB -0.102 29.720 29.700 0.203 0.000 0.832 211 E HN 0.466 nan 8.360 nan 0.000 0.500 212 H N -2.230 116.847 119.070 0.012 0.000 3.061 212 H HA 0.259 4.814 4.556 -0.002 0.000 0.210 212 H C -2.811 172.554 175.328 0.063 0.000 1.326 212 H CA -1.673 54.390 56.048 0.024 0.000 1.380 212 H CB -0.862 28.907 29.762 0.010 0.000 2.147 212 H HN -0.026 nan 8.280 nan 0.000 0.562 213 P HA 0.157 nan 4.420 nan 0.000 0.272 213 P C -0.024 177.342 177.300 0.111 0.000 1.240 213 P CA 0.462 63.546 63.100 -0.027 0.000 0.791 213 P CB 1.582 33.241 31.700 -0.069 0.000 0.978 214 H N -2.010 117.027 119.070 -0.054 0.000 2.948 214 H HA 0.491 5.046 4.556 -0.002 0.000 0.315 214 H C -1.804 173.510 175.328 -0.023 0.000 1.360 214 H CA -0.992 55.042 56.048 -0.023 0.000 1.125 214 H CB 1.101 30.857 29.762 -0.010 0.000 1.844 214 H HN 0.311 nan 8.280 nan 0.000 0.529 215 V N 2.178 122.065 119.914 -0.046 0.000 2.448 215 V HA 0.587 4.706 4.120 -0.002 0.000 0.295 215 V C -0.353 175.732 176.094 -0.015 0.000 1.025 215 V CA -0.630 61.609 62.300 -0.101 0.000 0.859 215 V CB 1.139 32.943 31.823 -0.031 0.000 0.988 215 V HN 0.992 nan 8.190 nan 0.000 0.431 216 R N 4.686 125.150 120.500 -0.061 0.000 2.803 216 R HA 0.803 5.142 4.340 -0.002 0.000 0.276 216 R C 0.353 176.675 176.300 0.036 0.000 0.978 216 R CA -0.271 55.852 56.100 0.039 0.000 0.939 216 R CB 1.778 32.121 30.300 0.072 0.000 1.179 216 R HN 1.756 nan 8.270 nan 0.000 0.472 217 G N 1.303 110.149 108.800 0.075 0.000 2.248 217 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.252 217 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.252 217 G C 0.075 175.009 174.900 0.056 0.000 1.085 217 G CA 0.232 45.378 45.100 0.076 0.000 0.845 217 G HN 1.062 nan 8.290 nan 0.000 0.494 218 T N -2.187 112.405 114.554 0.064 0.000 2.754 218 T HA 0.739 5.088 4.350 -0.002 0.000 0.286 218 T C 0.502 175.240 174.700 0.063 0.000 0.997 218 T CA 0.389 62.522 62.100 0.056 0.000 0.982 218 T CB 2.103 71.008 68.868 0.062 0.000 1.027 218 T HN 1.856 nan 8.240 nan 0.000 0.529 219 A N 1.224 124.074 122.820 0.052 0.000 2.310 219 A HA 0.567 4.886 4.320 -0.002 0.000 0.304 219 A C -0.271 177.347 177.584 0.057 0.000 1.231 219 A CA -0.878 51.186 52.037 0.044 0.000 0.799 219 A CB 0.677 19.688 19.000 0.018 0.000 1.162 219 A HN 0.805 nan 8.150 nan 0.000 0.486 220 Q N 1.567 121.420 119.800 0.089 0.000 2.266 220 Q HA 0.341 4.680 4.340 -0.002 0.000 0.261 220 Q C -0.372 175.675 176.000 0.078 0.000 0.985 220 Q CA -0.562 55.308 55.803 0.112 0.000 0.873 220 Q CB 1.903 30.761 28.738 0.200 0.000 1.306 220 Q HN 0.878 nan 8.270 nan 0.000 0.447 221 N N 1.264 120.008 118.700 0.072 0.000 2.405 221 N HA 0.133 4.872 4.740 -0.002 0.000 0.269 221 N C -1.883 173.678 175.510 0.085 0.000 1.249 221 N CA -1.561 51.517 53.050 0.047 0.000 0.974 221 N CB 0.539 39.049 38.487 0.038 0.000 1.204 221 N HN 0.318 nan 8.380 nan 0.000 0.565 222 P HA -0.152 nan 4.420 nan 0.000 0.223 222 P C 0.105 177.479 177.300 0.124 0.000 1.144 222 P CA 1.059 64.214 63.100 0.091 0.000 0.783 222 P CB 0.019 31.749 31.700 0.050 0.000 0.771 223 D N -0.253 120.206 120.400 0.099 0.000 2.183 223 D HA -0.135 4.504 4.640 -0.002 0.000 0.203 223 D C 1.649 178.011 176.300 0.103 0.000 0.969 223 D CA 1.099 55.153 54.000 0.089 0.000 0.842 223 D CB -0.985 39.852 40.800 0.062 0.000 0.957 223 D HN 0.344 nan 8.370 nan 0.000 0.484 224 I N -4.849 115.798 120.570 0.128 0.000 4.526 224 I HA 0.289 4.458 4.170 -0.002 0.000 0.330 224 I C 1.794 178.005 176.117 0.157 0.000 1.323 224 I CA -0.653 60.718 61.300 0.118 0.000 1.218 224 I CB -0.105 37.947 38.000 0.087 0.000 1.233 224 I HN -0.200 nan 8.210 nan 0.000 0.430 225 Y N 2.254 122.610 120.300 0.094 0.000 2.081 225 Y HA -0.304 4.245 4.550 -0.002 0.000 0.280 225 Y C 2.308 178.315 175.900 0.179 0.000 1.163 225 Y CA 2.526 60.686 58.100 0.101 0.000 1.135 225 Y CB -0.567 37.930 38.460 0.061 0.000 0.970 225 Y HN 0.274 nan 8.280 nan 0.000 0.498 226 F N 0.321 120.264 119.950 -0.011 0.000 2.095 226 F HA -0.394 4.132 4.527 -0.002 0.000 0.298 226 F C 2.216 177.944 175.800 -0.120 0.000 1.104 226 F CA 1.506 59.456 58.000 -0.083 0.000 1.232 226 F CB -0.075 38.943 39.000 0.029 0.000 0.987 226 F HN 0.204 nan 8.300 nan 0.000 0.475 227 Q N 0.295 120.124 119.800 0.048 0.000 2.020 227 Q HA -0.134 4.205 4.340 -0.002 0.000 0.202 227 Q C 2.373 178.351 176.000 -0.037 0.000 0.982 227 Q CA 1.715 57.477 55.803 -0.068 0.000 0.838 227 Q CB -1.183 27.525 28.738 -0.050 0.000 0.899 227 Q HN 0.511 nan 8.270 nan 0.000 0.423 228 G N 0.294 109.073 108.800 -0.035 0.000 2.462 228 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.220 228 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.220 228 G C 1.561 176.415 174.900 -0.078 0.000 1.121 228 G CA 0.894 45.968 45.100 -0.043 0.000 0.758 228 G HN 0.128 nan 8.290 nan 0.000 0.559 229 R N 0.665 121.075 120.500 -0.151 0.000 2.153 229 R HA 0.064 4.403 4.340 -0.002 0.000 0.218 229 R C 2.027 178.322 176.300 -0.008 0.000 1.072 229 R CA 0.904 56.919 56.100 -0.142 0.000 0.990 229 R CB -0.146 29.992 30.300 -0.271 0.000 0.889 229 R HN 0.253 nan 8.270 nan 0.000 0.452 230 E N -0.307 119.905 120.200 0.020 0.000 2.474 230 E HA 0.107 4.456 4.350 -0.002 0.000 0.194 230 E C 1.326 177.953 176.600 0.046 0.000 1.041 230 E CA 0.653 57.072 56.400 0.031 0.000 0.874 230 E CB 0.358 30.048 29.700 -0.017 0.000 0.914 230 E HN 0.366 nan 8.360 nan 0.000 0.498 231 A N 1.139 123.988 122.820 0.048 0.000 2.178 231 A HA 0.002 4.321 4.320 -0.002 0.000 0.218 231 A C 2.044 179.733 177.584 0.175 0.000 1.157 231 A CA 1.430 53.517 52.037 0.083 0.000 0.689 231 A CB -0.137 18.902 19.000 0.066 0.000 0.787 231 A HN 0.182 nan 8.150 nan 0.000 0.465 232 A N -0.792 122.156 122.820 0.213 0.000 2.390 232 A HA 0.173 4.492 4.320 -0.002 0.000 0.232 232 A C 1.355 179.193 177.584 0.423 0.000 1.233 232 A CA 0.329 52.599 52.037 0.387 0.000 0.907 232 A CB -0.488 18.708 19.000 0.326 0.000 0.967 232 A HN 0.634 nan 8.150 nan 0.000 0.512 233 N N 1.182 120.029 118.700 0.245 0.000 2.037 233 N HA -0.181 4.558 4.740 -0.002 0.000 0.196 233 N C -1.043 174.562 175.510 0.157 0.000 1.034 233 N CA 1.694 54.858 53.050 0.188 0.000 0.861 233 N CB -0.817 37.721 38.487 0.085 0.000 1.039 233 N HN 0.314 nan 8.380 nan 0.000 0.427 234 P HA -0.173 nan 4.420 nan 0.000 0.216 234 P C 0.736 177.958 177.300 -0.130 0.000 1.153 234 P CA 1.292 64.333 63.100 -0.100 0.000 0.858 234 P CB -0.099 31.449 31.700 -0.252 0.000 0.789 235 Y N -2.416 117.901 120.300 0.029 0.000 2.128 235 Y HA -0.210 4.339 4.550 -0.002 0.000 0.284 235 Y C 2.408 178.246 175.900 -0.102 0.000 1.154 235 Y CA 1.473 59.538 58.100 -0.059 0.000 1.149 235 Y CB -1.564 36.818 38.460 -0.130 0.000 0.976 235 Y HN 0.002 nan 8.280 nan 0.000 0.505 236 Y N -0.699 119.684 120.300 0.139 0.000 2.421 236 Y HA -0.154 4.395 4.550 -0.002 0.000 0.292 236 Y C 2.136 178.058 175.900 0.037 0.000 1.136 236 Y CA 0.881 59.017 58.100 0.061 0.000 1.255 236 Y CB -0.384 38.098 38.460 0.036 0.000 0.991 236 Y HN 0.102 nan 8.280 nan 0.000 0.552 237 L N -0.450 120.865 121.223 0.154 0.000 2.156 237 L HA -0.166 4.173 4.340 -0.002 0.000 0.208 237 L C 1.981 178.884 176.870 0.057 0.000 1.095 237 L CA 1.320 56.213 54.840 0.089 0.000 0.770 237 L CB -0.313 41.776 42.059 0.050 0.000 0.914 237 L HN 0.132 nan 8.230 nan 0.000 0.439 238 K N -0.603 119.817 120.400 0.033 0.000 2.305 238 K HA -0.061 4.258 4.320 -0.002 0.000 0.199 238 K C 1.992 178.625 176.600 0.054 0.000 1.047 238 K CA 0.488 56.789 56.287 0.024 0.000 0.976 238 K CB -0.015 32.479 32.500 -0.010 0.000 0.765 238 K HN 0.067 nan 8.250 nan 0.000 0.474 239 V N 2.458 122.410 119.914 0.063 0.000 2.392 239 V HA -0.160 3.959 4.120 -0.002 0.000 0.249 239 V C -1.186 174.989 176.094 0.136 0.000 1.059 239 V CA 1.760 64.122 62.300 0.104 0.000 1.051 239 V CB -0.511 31.337 31.823 0.041 0.000 0.658 239 V HN 0.163 nan 8.190 nan 0.000 0.455 240 P HA -0.051 nan 4.420 nan 0.000 0.217 240 P C 1.686 179.040 177.300 0.090 0.000 1.150 240 P CA 1.743 64.904 63.100 0.101 0.000 0.832 240 P CB -0.471 31.277 31.700 0.081 0.000 0.787 241 G N -0.331 108.510 108.800 0.068 0.000 2.404 241 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.215 241 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.215 241 G C 1.368 176.288 174.900 0.032 0.000 1.174 241 G CA 0.562 45.686 45.100 0.041 0.000 0.780 241 G HN 0.150 nan 8.290 nan 0.000 0.537 242 I N 0.667 121.275 120.570 0.063 0.000 2.226 242 I HA -0.122 4.047 4.170 -0.002 0.000 0.245 242 I C 2.876 179.075 176.117 0.137 0.000 1.100 242 I CA 0.539 61.885 61.300 0.077 0.000 1.374 242 I CB -0.524 37.575 38.000 0.165 0.000 1.057 242 I HN 0.024 nan 8.210 nan 0.000 0.413 243 V N 0.654 120.672 119.914 0.173 0.000 2.295 243 V HA -0.324 3.795 4.120 -0.002 0.000 0.246 243 V C 2.673 178.840 176.094 0.121 0.000 1.049 243 V CA 2.026 64.431 62.300 0.174 0.000 1.024 243 V CB -1.263 30.689 31.823 0.215 0.000 0.648 243 V HN 0.510 nan 8.190 nan 0.000 0.447 244 A N -0.542 122.330 122.820 0.086 0.000 1.902 244 A HA -0.280 4.039 4.320 -0.002 0.000 0.217 244 A C 2.278 179.876 177.584 0.024 0.000 1.181 244 A CA 1.982 54.058 52.037 0.065 0.000 0.623 244 A CB -0.567 18.467 19.000 0.056 0.000 0.818 244 A HN 0.661 nan 8.150 nan 0.000 0.443 245 E N -0.977 119.196 120.200 -0.045 0.000 2.033 245 E HA -0.269 4.080 4.350 -0.002 0.000 0.199 245 E C 1.766 178.235 176.600 -0.218 0.000 1.011 245 E CA 1.933 58.222 56.400 -0.185 0.000 0.815 245 E CB -0.360 29.128 29.700 -0.354 0.000 0.755 245 E HN 0.766 nan 8.360 nan 0.000 0.451 246 Y N -0.155 120.145 120.300 -0.001 0.000 2.439 246 Y HA -0.046 4.503 4.550 -0.002 0.000 0.292 246 Y C 2.441 178.352 175.900 0.017 0.000 1.130 246 Y CA 0.745 58.838 58.100 -0.011 0.000 1.254 246 Y CB 0.002 38.427 38.460 -0.059 0.000 1.000 246 Y HN 0.097 nan 8.280 nan 0.000 0.554 247 M N -0.529 119.165 119.600 0.158 0.000 2.296 247 M HA -0.245 4.234 4.480 -0.002 0.000 0.265 247 M C 1.737 178.134 176.300 0.161 0.000 1.064 247 M CA 1.682 57.089 55.300 0.178 0.000 1.109 247 M CB -0.205 32.502 32.600 0.180 0.000 1.396 247 M HN 0.335 nan 8.290 nan 0.000 0.430 248 Q N -0.192 119.664 119.800 0.092 0.000 2.212 248 Q HA -0.051 4.288 4.340 -0.002 0.000 0.199 248 Q C 1.832 177.864 176.000 0.053 0.000 0.950 248 Q CA 0.817 56.654 55.803 0.058 0.000 0.863 248 Q CB 0.156 28.904 28.738 0.018 0.000 0.944 248 Q HN 0.472 nan 8.270 nan 0.000 0.465 249 K N 0.065 120.501 120.400 0.059 0.000 2.076 249 K HA -0.016 4.303 4.320 -0.002 0.000 0.204 249 K C 1.927 178.591 176.600 0.107 0.000 1.051 249 K CA 0.846 57.176 56.287 0.072 0.000 0.949 249 K CB 0.203 32.757 32.500 0.090 0.000 0.726 249 K HN -0.020 nan 8.250 nan 0.000 0.443 250 V N 1.359 121.358 119.914 0.142 0.000 2.809 250 V HA -0.163 3.956 4.120 -0.002 0.000 0.256 250 V C 2.138 178.314 176.094 0.138 0.000 1.080 250 V CA 1.677 64.063 62.300 0.143 0.000 1.102 250 V CB -0.386 31.532 31.823 0.158 0.000 0.705 250 V HN 0.301 nan 8.190 nan 0.000 0.475 251 A N 0.860 123.754 122.820 0.124 0.000 1.897 251 A HA -0.146 4.173 4.320 -0.002 0.000 0.215 251 A C 2.489 180.107 177.584 0.057 0.000 1.181 251 A CA 1.731 53.819 52.037 0.086 0.000 0.620 251 A CB -0.662 18.378 19.000 0.066 0.000 0.821 251 A HN 0.657 nan 8.150 nan 0.000 0.443 252 S N -0.553 115.179 115.700 0.054 0.000 2.507 252 S HA 0.034 4.503 4.470 -0.002 0.000 0.235 252 S C 1.539 176.164 174.600 0.042 0.000 0.988 252 S CA 1.309 59.532 58.200 0.039 0.000 0.944 252 S CB -0.392 62.828 63.200 0.033 0.000 0.762 252 S HN 0.449 nan 8.310 nan 0.000 0.526 253 L N 0.771 122.028 121.223 0.057 0.000 2.500 253 L HA 0.140 4.479 4.340 -0.002 0.000 0.219 253 L C 2.853 179.756 176.870 0.055 0.000 1.057 253 L CA 1.141 56.014 54.840 0.056 0.000 0.854 253 L CB -0.351 41.750 42.059 0.070 0.000 1.078 253 L HN 0.554 nan 8.230 nan 0.000 0.480 254 T N -4.492 110.102 114.554 0.065 0.000 3.034 254 T HA 0.231 4.580 4.350 -0.002 0.000 0.248 254 T C 1.477 176.197 174.700 0.034 0.000 1.040 254 T CA 0.768 62.901 62.100 0.054 0.000 1.107 254 T CB 0.848 69.766 68.868 0.083 0.000 0.932 254 T HN 0.337 nan 8.240 nan 0.000 0.474 255 G N 1.659 110.476 108.800 0.029 0.000 2.176 255 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.232 255 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.232 255 G C 0.064 174.946 174.900 -0.029 0.000 0.986 255 G CA -0.243 44.860 45.100 0.005 0.000 0.643 255 G HN 0.679 nan 8.290 nan 0.000 0.522 256 R N 1.069 121.548 120.500 -0.035 0.000 2.215 256 R HA 0.572 4.911 4.340 -0.002 0.000 0.336 256 R C -0.253 175.854 176.300 -0.321 0.000 0.996 256 R CA -0.182 55.816 56.100 -0.171 0.000 0.847 256 R CB 1.321 31.569 30.300 -0.086 0.000 1.127 256 R HN 0.189 nan 8.270 nan 0.000 0.465 257 S N 2.177 117.631 115.700 -0.410 0.000 2.654 257 S HA 0.592 5.061 4.470 -0.002 0.000 0.283 257 S C -0.926 173.317 174.600 -0.596 0.000 1.180 257 S CA -0.437 57.573 58.200 -0.317 0.000 1.021 257 S CB 0.741 63.868 63.200 -0.121 0.000 1.018 257 S HN 0.381 nan 8.310 nan 0.000 0.532 258 Y N -0.121 120.211 120.300 0.053 0.000 2.670 258 Y HA 0.585 5.134 4.550 -0.002 0.000 0.334 258 Y C -0.213 175.722 175.900 0.058 0.000 1.185 258 Y CA -1.140 56.993 58.100 0.056 0.000 1.053 258 Y CB 1.613 40.102 38.460 0.049 0.000 1.298 258 Y HN 0.430 nan 8.280 nan 0.000 0.459 259 K N 0.222 120.768 120.400 0.243 0.000 2.533 259 K HA 0.378 4.697 4.320 -0.002 0.000 0.272 259 K C -0.399 176.269 176.600 0.114 0.000 0.985 259 K CA -0.857 55.530 56.287 0.166 0.000 0.876 259 K CB 2.244 34.843 32.500 0.165 0.000 1.452 259 K HN 0.341 nan 8.250 nan 0.000 0.439 260 L N 0.707 121.974 121.223 0.073 0.000 2.129 260 L HA -0.046 4.293 4.340 -0.002 0.000 0.212 260 L C 0.114 176.759 176.870 -0.375 0.000 1.087 260 L CA 1.790 56.566 54.840 -0.106 0.000 0.757 260 L CB -0.373 41.672 42.059 -0.024 0.000 0.896 260 L HN 0.392 nan 8.230 nan 0.000 0.434 261 F N -1.591 118.419 119.950 0.099 0.000 2.557 261 F HA 0.391 4.917 4.527 -0.002 0.000 0.316 261 F C -0.318 175.562 175.800 0.132 0.000 1.141 261 F CA -1.311 56.762 58.000 0.122 0.000 0.922 261 F CB 1.507 40.562 39.000 0.093 0.000 1.194 261 F HN -0.300 nan 8.300 nan 0.000 0.443 262 D N 1.884 122.469 120.400 0.308 0.000 2.350 262 D HA 0.241 4.880 4.640 -0.002 0.000 0.245 262 D C -1.462 174.995 176.300 0.261 0.000 1.036 262 D CA -0.282 53.866 54.000 0.245 0.000 0.848 262 D CB 2.178 43.091 40.800 0.189 0.000 1.307 262 D HN 0.462 nan 8.370 nan 0.000 0.469 263 Y N 1.543 121.916 120.300 0.121 0.000 2.409 263 Y HA 0.577 5.126 4.550 -0.002 0.000 0.339 263 Y C -1.105 174.849 175.900 0.089 0.000 1.033 263 Y CA -0.365 57.797 58.100 0.103 0.000 1.094 263 Y CB 1.110 39.611 38.460 0.069 0.000 1.210 263 Y HN 0.135 nan 8.280 nan 0.000 0.456 264 V N 4.421 123.819 119.914 -0.860 0.000 3.049 264 V HA 0.895 5.014 4.120 -0.002 0.000 0.309 264 V C 0.051 175.715 176.094 -0.717 0.000 1.148 264 V CA -0.204 61.786 62.300 -0.518 0.000 0.990 264 V CB 1.291 32.991 31.823 -0.204 0.000 1.039 264 V HN 1.255 nan 8.190 nan 0.000 0.430 265 G N 1.840 110.472 108.800 -0.280 0.000 2.384 265 G HA2 0.431 4.390 3.960 -0.002 0.000 0.204 265 G HA3 0.431 4.390 3.960 -0.002 0.000 0.204 265 G C -0.145 174.795 174.900 0.067 0.000 1.237 265 G CA 0.045 45.069 45.100 -0.126 0.000 1.060 265 G HN 1.857 nan 8.290 nan 0.000 0.514 266 A N 0.606 123.495 122.820 0.115 0.000 2.488 266 A HA 0.646 4.965 4.320 -0.002 0.000 0.249 266 A C -0.511 177.219 177.584 0.243 0.000 1.083 266 A CA 0.249 52.372 52.037 0.144 0.000 0.768 266 A CB 0.239 19.292 19.000 0.088 0.000 1.017 266 A HN 0.453 nan 8.150 nan 0.000 0.496 267 P HA -0.124 nan 4.420 nan 0.000 0.216 267 P C 0.318 177.641 177.300 0.037 0.000 1.150 267 P CA 1.625 64.785 63.100 0.100 0.000 0.837 267 P CB 0.144 31.880 31.700 0.060 0.000 0.786 268 D N -1.471 118.963 120.400 0.055 0.000 2.894 268 D HA 0.225 4.864 4.640 -0.002 0.000 0.273 268 D C -0.182 176.157 176.300 0.065 0.000 1.328 268 D CA -0.642 53.380 54.000 0.038 0.000 0.845 268 D CB -0.311 40.506 40.800 0.028 0.000 1.072 268 D HN -0.056 nan 8.370 nan 0.000 0.484 269 A N 0.579 123.465 122.820 0.111 0.000 2.488 269 A HA 0.123 4.442 4.320 -0.002 0.000 0.249 269 A C 1.026 178.684 177.584 0.122 0.000 1.083 269 A CA -0.199 51.922 52.037 0.140 0.000 0.768 269 A CB 0.475 19.625 19.000 0.249 0.000 1.017 269 A HN 0.282 nan 8.150 nan 0.000 0.496 270 E N 1.336 121.600 120.200 0.107 0.000 2.276 270 E HA -0.005 4.344 4.350 -0.002 0.000 0.193 270 E C 0.014 176.693 176.600 0.130 0.000 0.983 270 E CA 0.543 57.002 56.400 0.100 0.000 0.861 270 E CB 0.245 29.989 29.700 0.075 0.000 0.817 270 E HN 0.656 nan 8.360 nan 0.000 0.485 271 R N 1.172 121.776 120.500 0.173 0.000 2.371 271 R HA 0.358 4.697 4.340 -0.002 0.000 0.312 271 R C -1.186 175.315 176.300 0.334 0.000 0.980 271 R CA -0.331 55.906 56.100 0.229 0.000 0.867 271 R CB 2.047 32.504 30.300 0.261 0.000 1.163 271 R HN -0.144 nan 8.270 nan 0.000 0.492 272 V N 4.642 124.726 119.914 0.283 0.000 2.581 272 V HA 0.474 4.593 4.120 -0.002 0.000 0.303 272 V C 0.161 176.396 176.094 0.235 0.000 1.041 272 V CA -0.879 61.614 62.300 0.322 0.000 0.907 272 V CB 1.982 34.002 31.823 0.328 0.000 0.994 272 V HN 0.564 nan 8.190 nan 0.000 0.442 273 I N 3.626 124.321 120.570 0.209 0.000 2.525 273 I HA 0.501 4.670 4.170 -0.002 0.000 0.301 273 I C -0.332 175.917 176.117 0.220 0.000 0.992 273 I CA -0.634 60.732 61.300 0.109 0.000 1.162 273 I CB 1.982 39.953 38.000 -0.048 0.000 1.332 273 I HN 0.269 nan 8.210 nan 0.000 0.458 274 V N 4.340 124.404 119.914 0.250 0.000 2.357 274 V HA 0.395 4.514 4.120 -0.002 0.000 0.281 274 V C 0.027 176.307 176.094 0.311 0.000 1.015 274 V CA -0.247 62.259 62.300 0.343 0.000 0.827 274 V CB 1.346 33.446 31.823 0.460 0.000 1.018 274 V HN 0.883 nan 8.190 nan 0.000 0.432 275 S N 4.618 120.493 115.700 0.292 0.000 2.810 275 S HA 0.925 5.394 4.470 -0.002 0.000 0.315 275 S C -0.855 173.941 174.600 0.326 0.000 1.138 275 S CA -0.688 57.683 58.200 0.286 0.000 0.889 275 S CB 1.988 65.305 63.200 0.195 0.000 1.236 275 S HN 0.710 nan 8.310 nan 0.000 0.548 276 M N 1.383 121.195 119.600 0.354 0.000 2.322 276 M HA 0.580 5.059 4.480 -0.002 0.000 0.285 276 M C -0.490 176.060 176.300 0.416 0.000 1.119 276 M CA 0.550 56.060 55.300 0.350 0.000 0.953 276 M CB 1.228 34.046 32.600 0.364 0.000 1.701 276 M HN 1.166 nan 8.290 nan 0.000 0.479 277 G N 1.769 110.748 108.800 0.298 0.000 2.466 277 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.316 277 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.316 277 G C 0.193 175.257 174.900 0.272 0.000 1.270 277 G CA 0.099 45.385 45.100 0.309 0.000 0.982 277 G HN 1.414 nan 8.290 nan 0.000 0.506 278 S N -0.571 115.299 115.700 0.282 0.000 2.465 278 S HA -0.110 4.359 4.470 -0.002 0.000 0.241 278 S C 2.528 177.284 174.600 0.261 0.000 1.000 278 S CA 2.501 60.850 58.200 0.248 0.000 0.964 278 S CB -0.611 62.737 63.200 0.247 0.000 0.763 278 S HN 2.239 nan 8.310 nan 0.000 0.512 279 S N 0.774 116.666 115.700 0.320 0.000 2.402 279 S HA -0.105 4.364 4.470 -0.002 0.000 0.229 279 S C 1.966 176.714 174.600 0.247 0.000 1.021 279 S CA 0.882 59.297 58.200 0.359 0.000 0.974 279 S CB -1.424 61.986 63.200 0.350 0.000 0.800 279 S HN 0.692 nan 8.310 nan 0.000 0.484 280 C N 1.997 121.427 119.300 0.217 0.000 2.425 280 C HA 0.012 4.471 4.460 -0.002 0.000 0.277 280 C C 2.962 178.033 174.990 0.134 0.000 1.280 280 C CA 0.596 59.716 59.018 0.170 0.000 1.744 280 C CB -1.207 26.638 27.740 0.175 0.000 1.989 280 C HN 0.577 nan 8.230 nan 0.000 0.491 281 E N 0.775 121.060 120.200 0.142 0.000 2.038 281 E HA -0.168 4.181 4.350 -0.002 0.000 0.195 281 E C 2.226 178.889 176.600 0.105 0.000 1.000 281 E CA 1.868 58.338 56.400 0.117 0.000 0.803 281 E CB -0.764 29.010 29.700 0.123 0.000 0.750 281 E HN 0.601 nan 8.360 nan 0.000 0.448 282 T N 2.144 116.768 114.554 0.117 0.000 2.788 282 T HA -0.114 4.235 4.350 -0.002 0.000 0.268 282 T C 1.975 176.670 174.700 -0.009 0.000 1.044 282 T CA 0.790 62.935 62.100 0.075 0.000 1.139 282 T CB -0.084 68.787 68.868 0.005 0.000 0.867 282 T HN 0.043 nan 8.240 nan 0.000 0.454 283 I N 1.532 122.102 120.570 -0.000 0.000 2.099 283 I HA -0.166 4.003 4.170 -0.002 0.000 0.239 283 I C 2.580 178.733 176.117 0.060 0.000 1.066 283 I CA 1.530 62.847 61.300 0.028 0.000 1.324 283 I CB -1.341 36.713 38.000 0.090 0.000 1.037 283 I HN 0.382 nan 8.210 nan 0.000 0.401 284 E N 0.752 120.987 120.200 0.058 0.000 2.130 284 E HA -0.283 4.066 4.350 -0.002 0.000 0.196 284 E C 2.173 178.795 176.600 0.036 0.000 0.998 284 E CA 1.563 57.985 56.400 0.036 0.000 0.806 284 E CB -0.025 29.694 29.700 0.032 0.000 0.738 284 E HN 0.500 nan 8.360 nan 0.000 0.459 285 E N -0.217 120.014 120.200 0.051 0.000 2.031 285 E HA -0.188 4.161 4.350 -0.002 0.000 0.193 285 E C 2.093 178.738 176.600 0.076 0.000 0.994 285 E CA 1.571 58.011 56.400 0.066 0.000 0.800 285 E CB 0.092 29.852 29.700 0.100 0.000 0.752 285 E HN 0.177 nan 8.360 nan 0.000 0.447 286 V N 1.708 121.656 119.914 0.058 0.000 2.407 286 V HA -0.258 3.861 4.120 -0.002 0.000 0.248 286 V C 2.415 178.544 176.094 0.058 0.000 1.055 286 V CA 1.086 63.430 62.300 0.074 0.000 1.049 286 V CB -0.408 31.433 31.823 0.030 0.000 0.662 286 V HN 0.374 nan 8.190 nan 0.000 0.455 287 I N 0.776 121.355 120.570 0.015 0.000 2.142 287 I HA -0.242 3.927 4.170 -0.002 0.000 0.240 287 I C 2.243 178.354 176.117 -0.011 0.000 1.078 287 I CA 1.799 63.069 61.300 -0.050 0.000 1.343 287 I CB -1.632 36.340 38.000 -0.046 0.000 1.046 287 I HN 0.476 nan 8.210 nan 0.000 0.405 288 N N -0.538 118.174 118.700 0.020 0.000 2.149 288 N HA -0.259 4.480 4.740 -0.002 0.000 0.188 288 N C 2.003 177.536 175.510 0.038 0.000 1.019 288 N CA 0.953 54.015 53.050 0.019 0.000 0.857 288 N CB -0.204 38.294 38.487 0.020 0.000 0.997 288 N HN 0.457 nan 8.380 nan 0.000 0.426 289 H N 1.101 120.162 119.070 -0.016 0.000 2.307 289 H HA 0.022 4.577 4.556 -0.002 0.000 0.303 289 H C 1.921 177.240 175.328 -0.016 0.000 1.073 289 H CA 1.104 57.143 56.048 -0.015 0.000 1.338 289 H CB -0.005 29.753 29.762 -0.006 0.000 1.389 289 H HN 0.055 nan 8.280 nan 0.000 0.503 290 L N 0.939 122.314 121.223 0.253 0.000 2.109 290 L HA 0.008 4.347 4.340 -0.002 0.000 0.207 290 L C 2.952 179.831 176.870 0.016 0.000 1.086 290 L CA 1.508 56.434 54.840 0.143 0.000 0.760 290 L CB -1.150 40.934 42.059 0.041 0.000 0.910 290 L HN 0.313 nan 8.230 nan 0.000 0.437 291 A N -0.628 122.180 122.820 -0.021 0.000 1.969 291 A HA -0.048 4.271 4.320 -0.002 0.000 0.218 291 A C 2.432 180.002 177.584 -0.025 0.000 1.169 291 A CA 1.395 53.411 52.037 -0.034 0.000 0.635 291 A CB -0.718 18.260 19.000 -0.036 0.000 0.810 291 A HN 0.341 nan 8.150 nan 0.000 0.445 292 A N -0.598 122.201 122.820 -0.036 0.000 2.121 292 A HA -0.043 4.276 4.320 -0.002 0.000 0.218 292 A C 1.911 179.461 177.584 -0.056 0.000 1.154 292 A CA 1.419 53.424 52.037 -0.054 0.000 0.679 292 A CB -0.275 18.672 19.000 -0.090 0.000 0.795 292 A HN 0.480 nan 8.150 nan 0.000 0.458 293 K N -1.537 118.836 120.400 -0.045 0.000 2.404 293 K HA 0.227 4.546 4.320 -0.002 0.000 0.194 293 K C 0.947 177.541 176.600 -0.010 0.000 1.023 293 K CA 0.484 56.754 56.287 -0.028 0.000 1.094 293 K CB 0.093 32.592 32.500 -0.001 0.000 0.841 293 K HN 0.597 nan 8.250 nan 0.000 0.523 294 G N 1.414 110.208 108.800 -0.011 0.000 2.179 294 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.220 294 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.220 294 G C -0.382 174.516 174.900 -0.003 0.000 0.990 294 G CA -0.449 44.649 45.100 -0.004 0.000 0.646 294 G HN 0.316 nan 8.290 nan 0.000 0.517 295 E N 1.009 121.202 120.200 -0.012 0.000 2.316 295 E HA 0.286 4.635 4.350 -0.002 0.000 0.275 295 E C -0.037 176.546 176.600 -0.030 0.000 1.029 295 E CA -0.201 56.184 56.400 -0.026 0.000 0.871 295 E CB 0.564 30.230 29.700 -0.057 0.000 1.022 295 E HN 0.018 nan 8.360 nan 0.000 0.418 296 K N 4.284 124.679 120.400 -0.009 0.000 2.222 296 K HA 0.215 4.534 4.320 -0.002 0.000 0.243 296 K C 0.012 176.627 176.600 0.026 0.000 1.160 296 K CA -0.199 56.100 56.287 0.019 0.000 1.090 296 K CB -0.400 32.123 32.500 0.038 0.000 1.694 296 K HN 0.421 nan 8.250 nan 0.000 0.361 297 I N -2.697 117.857 120.570 -0.027 0.000 2.828 297 I HA 0.803 4.972 4.170 -0.002 0.000 0.302 297 I C -0.190 175.951 176.117 0.040 0.000 1.101 297 I CA -0.863 60.418 61.300 -0.032 0.000 1.031 297 I CB 1.793 39.488 38.000 -0.509 0.000 1.231 297 I HN 0.281 nan 8.210 nan 0.000 0.427 298 G N 3.462 112.392 108.800 0.218 0.000 2.921 298 G HA2 0.748 4.707 3.960 -0.002 0.000 0.291 298 G HA3 0.748 4.707 3.960 -0.002 0.000 0.291 298 G C -2.054 172.956 174.900 0.184 0.000 1.370 298 G CA -0.704 44.487 45.100 0.151 0.000 0.847 298 G HN 0.847 nan 8.290 nan 0.000 0.532 299 L N -0.768 120.409 121.223 -0.078 0.000 2.513 299 L HA 0.710 5.049 4.340 -0.002 0.000 0.261 299 L C -1.547 175.360 176.870 0.062 0.000 0.945 299 L CA -0.647 54.231 54.840 0.063 0.000 0.848 299 L CB 1.965 44.064 42.059 0.066 0.000 1.334 299 L HN 0.481 nan 8.230 nan 0.000 0.407 300 I N 4.517 125.233 120.570 0.244 0.000 2.359 300 I HA 0.350 4.519 4.170 -0.002 0.000 0.284 300 I C -0.296 176.031 176.117 0.349 0.000 1.018 300 I CA -0.664 60.833 61.300 0.328 0.000 1.173 300 I CB 1.155 39.379 38.000 0.373 0.000 1.326 300 I HN 0.556 nan 8.210 nan 0.000 0.462 301 K N 5.857 126.430 120.400 0.289 0.000 2.312 301 K HA 0.307 4.626 4.320 -0.002 0.000 0.287 301 K C -0.301 176.462 176.600 0.271 0.000 1.062 301 K CA -0.391 56.051 56.287 0.258 0.000 0.934 301 K CB 1.624 34.239 32.500 0.192 0.000 1.027 301 K HN 0.471 nan 8.250 nan 0.000 0.478 302 V N 1.782 121.843 119.914 0.246 0.000 2.383 302 V HA 0.349 4.468 4.120 -0.002 0.000 0.275 302 V C 0.353 176.428 176.094 -0.032 0.000 1.036 302 V CA -0.452 61.871 62.300 0.039 0.000 0.889 302 V CB 1.526 33.513 31.823 0.273 0.000 0.985 302 V HN 0.686 nan 8.190 nan 0.000 0.459 303 R N 3.855 124.243 120.500 -0.188 0.000 2.102 303 R HA 0.458 4.797 4.340 -0.002 0.000 0.208 303 R C 0.334 176.593 176.300 -0.067 0.000 1.131 303 R CA 0.343 56.386 56.100 -0.095 0.000 1.054 303 R CB -0.311 29.947 30.300 -0.070 0.000 0.954 303 R HN 0.681 nan 8.270 nan 0.000 0.465 304 L N 1.344 122.475 121.223 -0.154 0.000 2.259 304 L HA 0.215 4.554 4.340 -0.002 0.000 0.288 304 L C 0.112 176.998 176.870 0.027 0.000 1.051 304 L CA -0.294 54.531 54.840 -0.025 0.000 0.824 304 L CB 0.772 42.809 42.059 -0.036 0.000 1.206 304 L HN 0.194 nan 8.230 nan 0.000 0.429 305 Y N 4.964 125.334 120.300 0.116 0.000 2.420 305 Y HA 0.294 4.843 4.550 -0.002 0.000 0.292 305 Y C 0.342 176.417 175.900 0.292 0.000 1.119 305 Y CA 0.576 58.836 58.100 0.267 0.000 1.229 305 Y CB 0.326 38.981 38.460 0.325 0.000 1.026 305 Y HN 0.428 nan 8.280 nan 0.000 0.554 306 R N 0.402 120.963 120.500 0.102 0.000 2.522 306 R HA 0.311 4.650 4.340 -0.002 0.000 0.283 306 R C -3.050 173.247 176.300 -0.004 0.000 1.074 306 R CA -2.210 53.889 56.100 -0.002 0.000 0.925 306 R CB 1.526 31.830 30.300 0.006 0.000 1.205 306 R HN -0.019 nan 8.270 nan 0.000 0.436 307 P HA 0.083 nan 4.420 nan 0.000 0.270 307 P C -0.614 176.735 177.300 0.082 0.000 1.223 307 P CA -0.147 62.987 63.100 0.057 0.000 0.785 307 P CB 0.388 32.146 31.700 0.096 0.000 0.923 308 F N 2.943 122.857 119.950 -0.060 0.000 2.303 308 F HA 0.261 4.787 4.527 -0.002 0.000 0.368 308 F C -0.509 175.328 175.800 0.061 0.000 1.105 308 F CA -0.592 57.404 58.000 -0.008 0.000 1.153 308 F CB 0.209 39.130 39.000 -0.133 0.000 1.362 308 F HN -0.084 nan 8.300 nan 0.000 0.511 309 V N 6.234 126.091 119.914 -0.094 0.000 2.387 309 V HA 0.035 4.154 4.120 -0.002 0.000 0.260 309 V C 1.032 177.002 176.094 -0.206 0.000 1.054 309 V CA 0.180 62.456 62.300 -0.040 0.000 0.967 309 V CB 0.499 32.354 31.823 0.053 0.000 1.036 309 V HN 0.886 nan 8.190 nan 0.000 0.481 310 S N 2.952 118.569 115.700 -0.139 0.000 2.399 310 S HA -0.192 4.277 4.470 -0.002 0.000 0.231 310 S C 1.849 176.348 174.600 -0.168 0.000 1.022 310 S CA 1.551 59.616 58.200 -0.225 0.000 0.983 310 S CB -0.076 63.110 63.200 -0.024 0.000 0.803 310 S HN 0.907 nan 8.310 nan 0.000 0.480 311 E N 1.383 121.582 120.200 -0.001 0.000 2.038 311 E HA -0.193 4.156 4.350 -0.002 0.000 0.195 311 E C 2.197 178.800 176.600 0.005 0.000 1.000 311 E CA 1.161 57.604 56.400 0.073 0.000 0.803 311 E CB -0.280 29.461 29.700 0.068 0.000 0.750 311 E HN 0.491 nan 8.360 nan 0.000 0.448 312 A N 0.387 123.202 122.820 -0.008 0.000 1.978 312 A HA -0.186 4.133 4.320 -0.002 0.000 0.220 312 A C 1.942 179.404 177.584 -0.204 0.000 1.170 312 A CA 1.309 53.382 52.037 0.061 0.000 0.636 312 A CB -0.804 18.392 19.000 0.328 0.000 0.810 312 A HN 0.514 nan 8.150 nan 0.000 0.448 313 F N -0.145 119.259 119.950 -0.910 0.000 2.051 313 F HA -0.122 4.404 4.527 -0.002 0.000 0.296 313 F C 1.865 177.283 175.800 -0.637 0.000 1.122 313 F CA 1.639 58.819 58.000 -1.367 0.000 1.201 313 F CB -0.663 37.433 39.000 -1.507 0.000 0.978 313 F HN 0.221 nan 8.300 nan 0.000 0.472 314 F N 0.306 120.004 119.950 -0.421 0.000 2.408 314 F HA -0.093 4.433 4.527 -0.002 0.000 0.300 314 F C 2.427 178.049 175.800 -0.297 0.000 1.090 314 F CA 0.394 58.147 58.000 -0.412 0.000 1.427 314 F CB -0.769 38.102 39.000 -0.215 0.000 1.070 314 F HN 0.147 nan 8.300 nan 0.000 0.549 315 A N 0.173 122.949 122.820 -0.074 0.000 1.898 315 A HA -0.001 4.318 4.320 -0.002 0.000 0.216 315 A C 2.210 179.754 177.584 -0.065 0.000 1.181 315 A CA 1.509 53.526 52.037 -0.033 0.000 0.620 315 A CB -0.856 18.153 19.000 0.015 0.000 0.819 315 A HN 0.265 nan 8.150 nan 0.000 0.442 316 A N -1.275 121.487 122.820 -0.097 0.000 2.275 316 A HA 0.454 4.773 4.320 -0.002 0.000 0.212 316 A C 0.693 178.176 177.584 -0.170 0.000 1.201 316 A CA -0.147 51.870 52.037 -0.032 0.000 0.843 316 A CB -0.128 18.963 19.000 0.152 0.000 0.873 316 A HN 0.441 nan 8.150 nan 0.000 0.492 317 L N 1.499 122.552 121.223 -0.282 0.000 2.257 317 L HA 0.464 4.803 4.340 -0.002 0.000 0.290 317 L C -2.974 173.761 176.870 -0.225 0.000 1.044 317 L CA -1.815 52.861 54.840 -0.273 0.000 0.810 317 L CB 1.091 42.934 42.059 -0.361 0.000 1.193 317 L HN -0.030 nan 8.230 nan 0.000 0.425 318 P HA 0.180 nan 4.420 nan 0.000 0.271 318 P C 0.268 177.527 177.300 -0.067 0.000 1.216 318 P CA -0.174 62.789 63.100 -0.229 0.000 0.771 318 P CB 1.039 32.577 31.700 -0.271 0.000 0.864 319 A N 2.736 125.525 122.820 -0.053 0.000 2.067 319 A HA -0.132 4.187 4.320 -0.002 0.000 0.219 319 A C 1.937 179.531 177.584 0.016 0.000 1.158 319 A CA 1.728 53.761 52.037 -0.008 0.000 0.661 319 A CB -1.241 17.746 19.000 -0.022 0.000 0.801 319 A HN 0.579 nan 8.150 nan 0.000 0.452 320 S N -0.097 115.607 115.700 0.007 0.000 2.555 320 S HA 0.345 4.814 4.470 -0.002 0.000 0.230 320 S C 0.994 175.626 174.600 0.053 0.000 0.978 320 S CA 0.321 58.537 58.200 0.027 0.000 0.934 320 S CB -0.701 62.512 63.200 0.023 0.000 0.766 320 S HN 0.900 nan 8.310 nan 0.000 0.533 321 A N 1.584 124.446 122.820 0.069 0.000 2.515 321 A HA 0.344 4.663 4.320 -0.002 0.000 0.263 321 A C 1.013 178.652 177.584 0.092 0.000 1.096 321 A CA -0.295 51.805 52.037 0.104 0.000 0.769 321 A CB 0.157 19.242 19.000 0.143 0.000 1.040 321 A HN 0.523 nan 8.150 nan 0.000 0.505 322 K N 1.486 121.934 120.400 0.080 0.000 2.350 322 K HA 0.260 4.579 4.320 -0.002 0.000 0.196 322 K C -0.531 176.100 176.600 0.050 0.000 1.084 322 K CA 0.526 56.849 56.287 0.058 0.000 0.967 322 K CB 0.727 33.257 32.500 0.051 0.000 0.950 322 K HN 0.491 nan 8.250 nan 0.000 0.512 323 V N 2.260 122.217 119.914 0.071 0.000 2.623 323 V HA 0.416 4.535 4.120 -0.002 0.000 0.304 323 V C -1.167 174.987 176.094 0.099 0.000 1.054 323 V CA -0.869 61.471 62.300 0.066 0.000 0.882 323 V CB 2.246 34.109 31.823 0.067 0.000 1.002 323 V HN 0.141 nan 8.190 nan 0.000 0.424 324 I N 3.863 124.486 120.570 0.088 0.000 2.500 324 I HA 0.563 4.732 4.170 -0.002 0.000 0.286 324 I C -0.465 175.736 176.117 0.140 0.000 1.063 324 I CA -0.017 61.368 61.300 0.142 0.000 1.062 324 I CB 2.054 40.175 38.000 0.202 0.000 1.223 324 I HN 0.735 nan 8.210 nan 0.000 0.435 325 T N 6.686 121.323 114.554 0.139 0.000 2.749 325 T HA 0.521 4.870 4.350 -0.002 0.000 0.287 325 T C -0.536 174.263 174.700 0.164 0.000 0.970 325 T CA -0.345 61.843 62.100 0.146 0.000 0.980 325 T CB 0.845 69.819 68.868 0.176 0.000 0.924 325 T HN 0.339 nan 8.240 nan 0.000 0.456 326 V N 6.492 126.516 119.914 0.183 0.000 2.461 326 V HA 0.400 4.519 4.120 -0.002 0.000 0.275 326 V C -0.226 175.938 176.094 0.117 0.000 1.047 326 V CA -0.714 61.717 62.300 0.219 0.000 0.955 326 V CB 0.876 32.888 31.823 0.315 0.000 0.988 326 V HN 0.733 nan 8.190 nan 0.000 0.471 327 L N 5.306 126.625 121.223 0.161 0.000 2.287 327 L HA 0.512 4.851 4.340 -0.002 0.000 0.287 327 L C 0.007 177.039 176.870 0.270 0.000 1.022 327 L CA 0.120 55.055 54.840 0.159 0.000 0.814 327 L CB 1.204 43.324 42.059 0.103 0.000 1.217 327 L HN 0.553 nan 8.230 nan 0.000 0.420 328 D N 2.630 123.117 120.400 0.144 0.000 2.217 328 D HA 0.252 4.891 4.640 -0.002 0.000 0.243 328 D C 0.145 176.345 176.300 -0.167 0.000 1.054 328 D CA -0.404 53.650 54.000 0.089 0.000 0.838 328 D CB 2.129 42.933 40.800 0.007 0.000 1.162 328 D HN 0.343 nan 8.370 nan 0.000 0.472 329 R N 1.636 121.932 120.500 -0.341 0.000 3.863 329 R HA 0.184 4.523 4.340 -0.002 0.000 0.304 329 R C -0.261 175.832 176.300 -0.344 0.000 1.485 329 R CA -0.047 55.559 56.100 -0.823 0.000 1.355 329 R CB 0.122 29.622 30.300 -1.332 0.000 1.457 329 R HN 0.361 nan 8.270 nan 0.000 0.669 330 T N -0.878 113.594 114.554 -0.136 0.000 2.681 330 T HA 0.427 4.776 4.350 -0.002 0.000 0.296 330 T C -1.958 172.699 174.700 -0.072 0.000 1.157 330 T CA -0.749 61.342 62.100 -0.015 0.000 1.025 330 T CB 1.477 70.461 68.868 0.194 0.000 1.441 330 T HN 0.141 nan 8.240 nan 0.000 0.504 331 K N 1.783 122.155 120.400 -0.047 0.000 2.731 331 K HA 0.344 4.663 4.320 -0.002 0.000 0.257 331 K C -1.559 175.013 176.600 -0.046 0.000 1.032 331 K CA -0.164 56.087 56.287 -0.060 0.000 0.983 331 K CB 0.891 33.357 32.500 -0.057 0.000 1.248 331 K HN 0.565 nan 8.250 nan 0.000 0.484 332 E N 5.177 125.341 120.200 -0.060 0.000 2.167 332 E HA 0.235 4.584 4.350 -0.002 0.000 0.247 332 E C -2.254 174.320 176.600 -0.043 0.000 0.961 332 E CA -2.001 54.370 56.400 -0.050 0.000 0.797 332 E CB 0.736 30.395 29.700 -0.068 0.000 1.182 332 E HN 0.380 nan 8.360 nan 0.000 0.437 333 P HA -0.086 nan 4.420 nan 0.000 0.258 333 P C 0.876 178.157 177.300 -0.032 0.000 1.172 333 P CA 1.013 64.093 63.100 -0.034 0.000 0.762 333 P CB 0.553 32.238 31.700 -0.025 0.000 0.764 334 G N 2.298 111.075 108.800 -0.039 0.000 2.284 334 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.230 334 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.230 334 G C 0.536 175.414 174.900 -0.037 0.000 1.021 334 G CA -0.039 45.039 45.100 -0.036 0.000 0.619 334 G HN 0.845 nan 8.290 nan 0.000 0.510 335 A N 1.434 124.233 122.820 -0.034 0.000 2.492 335 A HA 0.568 4.887 4.320 -0.002 0.000 0.236 335 A C 0.123 177.695 177.584 -0.020 0.000 1.078 335 A CA 0.391 52.414 52.037 -0.024 0.000 0.773 335 A CB 0.233 19.218 19.000 -0.025 0.000 1.023 335 A HN 0.344 nan 8.150 nan 0.000 0.504 336 P HA 0.199 nan 4.420 nan 0.000 0.245 336 P C 0.424 177.807 177.300 0.137 0.000 1.206 336 P CA 1.185 64.299 63.100 0.024 0.000 0.781 336 P CB 0.246 31.972 31.700 0.044 0.000 0.994 337 G N -0.600 108.292 108.800 0.154 0.000 2.377 337 G HA2 0.157 4.116 3.960 -0.002 0.000 0.297 337 G HA3 0.157 4.116 3.960 -0.002 0.000 0.297 337 G C -1.879 173.104 174.900 0.139 0.000 1.547 337 G CA -0.631 44.626 45.100 0.260 0.000 0.833 337 G HN -0.207 nan 8.290 nan 0.000 0.583 338 D N 0.935 121.374 120.400 0.065 0.000 2.358 338 D HA 0.321 4.960 4.640 -0.002 0.000 0.244 338 D C -1.183 175.066 176.300 -0.084 0.000 1.163 338 D CA -1.145 52.818 54.000 -0.063 0.000 0.945 338 D CB 1.419 42.144 40.800 -0.125 0.000 1.152 338 D HN 0.001 nan 8.370 nan 0.000 0.451 339 P HA -0.244 nan 4.420 nan 0.000 0.208 339 P C 1.616 178.871 177.300 -0.074 0.000 0.999 339 P CA 0.924 63.825 63.100 -0.331 0.000 0.988 339 P CB 0.005 31.068 31.700 -1.063 0.000 0.745 340 L N -2.045 119.204 121.223 0.043 0.000 2.021 340 L HA -0.241 4.098 4.340 -0.002 0.000 0.215 340 L C 2.484 179.409 176.870 0.091 0.000 1.074 340 L CA 1.890 56.869 54.840 0.232 0.000 0.760 340 L CB -1.721 40.551 42.059 0.355 0.000 0.889 340 L HN 0.015 nan 8.230 nan 0.000 0.433 341 Y N -0.786 119.503 120.300 -0.018 0.000 2.114 341 Y HA -0.306 4.243 4.550 -0.002 0.000 0.282 341 Y C 2.215 178.074 175.900 -0.069 0.000 1.165 341 Y CA 2.090 60.165 58.100 -0.040 0.000 1.148 341 Y CB -0.525 37.888 38.460 -0.078 0.000 0.972 341 Y HN 0.207 nan 8.280 nan 0.000 0.504 342 L N 0.625 121.700 121.223 -0.246 0.000 2.046 342 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 342 L C 2.183 178.840 176.870 -0.355 0.000 1.077 342 L CA 2.013 56.654 54.840 -0.331 0.000 0.747 342 L CB -1.053 40.908 42.059 -0.164 0.000 0.896 342 L HN 0.244 nan 8.230 nan 0.000 0.432 343 D N -0.850 119.310 120.400 -0.400 0.000 2.097 343 D HA -0.148 4.491 4.640 -0.002 0.000 0.195 343 D C 2.363 178.267 176.300 -0.659 0.000 0.989 343 D CA 1.337 54.910 54.000 -0.710 0.000 0.827 343 D CB -0.286 39.754 40.800 -1.267 0.000 0.966 343 D HN 0.160 nan 8.370 nan 0.000 0.456 344 V N 0.956 120.586 119.914 -0.473 0.000 2.343 344 V HA -0.264 3.855 4.120 -0.002 0.000 0.247 344 V C 2.770 178.801 176.094 -0.105 0.000 1.051 344 V CA 1.236 63.331 62.300 -0.341 0.000 1.036 344 V CB -0.581 31.191 31.823 -0.085 0.000 0.654 344 V HN 0.277 nan 8.190 nan 0.000 0.451 345 C N 0.708 119.881 119.300 -0.212 0.000 2.436 345 C HA -0.153 4.306 4.460 -0.002 0.000 0.277 345 C C 3.304 178.289 174.990 -0.008 0.000 1.241 345 C CA 1.543 60.485 59.018 -0.127 0.000 1.721 345 C CB -1.143 26.367 27.740 -0.382 0.000 2.043 345 C HN 0.769 nan 8.230 nan 0.000 0.472 346 S N 1.756 117.390 115.700 -0.110 0.000 2.419 346 S HA -0.145 4.324 4.470 -0.002 0.000 0.235 346 S C 1.840 176.447 174.600 0.011 0.000 1.019 346 S CA 1.544 59.710 58.200 -0.056 0.000 0.982 346 S CB -0.498 62.634 63.200 -0.114 0.000 0.789 346 S HN 0.643 nan 8.310 nan 0.000 0.490 347 A N 1.458 124.260 122.820 -0.030 0.000 1.845 347 A HA 0.128 4.447 4.320 -0.002 0.000 0.215 347 A C 1.912 179.647 177.584 0.252 0.000 1.195 347 A CA 1.456 53.472 52.037 -0.034 0.000 0.616 347 A CB -1.194 17.509 19.000 -0.495 0.000 0.832 347 A HN 0.534 nan 8.150 nan 0.000 0.443 348 F N -0.633 119.504 119.950 0.311 0.000 2.102 348 F HA -0.146 4.380 4.527 -0.002 0.000 0.298 348 F C 2.526 178.430 175.800 0.172 0.000 1.105 348 F CA 1.565 59.773 58.000 0.346 0.000 1.239 348 F CB -0.752 38.399 39.000 0.251 0.000 0.991 348 F HN 0.134 nan 8.300 nan 0.000 0.474 349 V N 0.122 120.210 119.914 0.291 0.000 2.332 349 V HA -0.313 3.806 4.120 -0.002 0.000 0.248 349 V C 2.142 178.308 176.094 0.120 0.000 1.055 349 V CA 2.570 64.965 62.300 0.158 0.000 1.038 349 V CB -0.349 31.530 31.823 0.093 0.000 0.651 349 V HN 0.488 nan 8.190 nan 0.000 0.450 350 E N -0.485 119.789 120.200 0.123 0.000 2.274 350 E HA -0.184 4.165 4.350 -0.002 0.000 0.194 350 E C 2.377 179.029 176.600 0.088 0.000 0.996 350 E CA 0.516 56.972 56.400 0.093 0.000 0.840 350 E CB -0.175 29.578 29.700 0.090 0.000 0.772 350 E HN 0.565 nan 8.360 nan 0.000 0.491 351 R N 0.254 120.818 120.500 0.107 0.000 2.189 351 R HA -0.059 4.280 4.340 -0.002 0.000 0.218 351 R C 0.838 177.133 176.300 -0.009 0.000 1.074 351 R CA 0.895 56.992 56.100 -0.006 0.000 0.991 351 R CB -0.358 29.824 30.300 -0.197 0.000 0.883 351 R HN 0.246 nan 8.270 nan 0.000 0.457 352 G N 1.554 110.380 108.800 0.044 0.000 2.393 352 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.299 352 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.299 352 G C -0.322 174.588 174.900 0.018 0.000 0.990 352 G CA 1.273 46.395 45.100 0.037 0.000 1.118 352 G HN 0.583 nan 8.290 nan 0.000 0.513 353 E N -0.559 119.655 120.200 0.025 0.000 4.500 353 E HA 0.631 4.981 4.350 -0.002 0.000 0.170 353 E C 0.994 177.621 176.600 0.044 0.000 1.197 353 E CA -0.521 55.886 56.400 0.010 0.000 0.777 353 E CB -0.134 29.543 29.700 -0.039 0.000 2.333 353 E HN 0.777 nan 8.360 nan 0.000 0.479 354 A N 1.591 124.439 122.820 0.046 0.000 2.498 354 A HA 0.333 4.652 4.320 -0.002 0.000 0.239 354 A C -0.223 177.449 177.584 0.147 0.000 1.068 354 A CA 0.530 52.614 52.037 0.079 0.000 0.766 354 A CB 0.054 19.099 19.000 0.075 0.000 1.003 354 A HN 0.297 nan 8.150 nan 0.000 0.497 355 M N 4.467 124.124 119.600 0.095 0.000 1.980 355 M HA 0.270 4.749 4.480 -0.002 0.000 0.282 355 M C -2.510 173.778 176.300 -0.021 0.000 0.878 355 M CA -1.880 53.453 55.300 0.056 0.000 0.900 355 M CB 0.862 33.489 32.600 0.045 0.000 1.577 355 M HN 0.577 nan 8.290 nan 0.000 0.396 356 P HA 0.278 nan 4.420 nan 0.000 0.279 356 P C -0.416 176.806 177.300 -0.131 0.000 1.239 356 P CA -0.482 62.567 63.100 -0.086 0.000 0.789 356 P CB 1.121 32.783 31.700 -0.062 0.000 0.933 357 K N 2.889 123.260 120.400 -0.049 0.000 2.466 357 K HA 0.061 4.380 4.320 -0.002 0.000 0.278 357 K C -0.439 176.140 176.600 -0.035 0.000 1.048 357 K CA 0.665 56.936 56.287 -0.026 0.000 1.088 357 K CB -0.844 31.662 32.500 0.010 0.000 0.884 357 K HN 0.385 nan 8.250 nan 0.000 0.478 358 I N 6.463 127.018 120.570 -0.025 0.000 2.355 358 I HA 0.200 4.369 4.170 -0.002 0.000 0.288 358 I C -0.796 175.384 176.117 0.104 0.000 0.999 358 I CA -1.183 60.132 61.300 0.024 0.000 1.163 358 I CB 1.007 38.993 38.000 -0.023 0.000 1.316 358 I HN 0.353 nan 8.210 nan 0.000 0.454 359 L N 5.531 126.805 121.223 0.085 0.000 2.352 359 L HA 0.756 5.095 4.340 -0.002 0.000 0.269 359 L C 0.222 176.986 176.870 -0.176 0.000 1.034 359 L CA -0.500 54.337 54.840 -0.006 0.000 0.806 359 L CB 1.612 43.744 42.059 0.123 0.000 1.244 359 L HN 0.632 nan 8.230 nan 0.000 0.447 360 A N 0.451 122.905 122.820 -0.610 0.000 2.342 360 A HA 0.896 5.215 4.320 -0.002 0.000 0.323 360 A C -0.215 176.716 177.584 -1.089 0.000 1.125 360 A CA -0.108 51.373 52.037 -0.927 0.000 0.785 360 A CB 1.332 19.318 19.000 -1.691 0.000 1.221 360 A HN 0.743 nan 8.150 nan 0.000 0.463 361 G N 0.988 109.207 108.800 -0.967 0.000 2.740 361 G HA2 0.550 4.509 3.960 -0.002 0.000 0.296 361 G HA3 0.550 4.509 3.960 -0.002 0.000 0.296 361 G C -0.885 173.716 174.900 -0.498 0.000 1.439 361 G CA -0.636 43.625 45.100 -1.398 0.000 1.066 361 G HN 0.849 nan 8.290 nan 0.000 0.527 362 R N 1.053 121.336 120.500 -0.362 0.000 2.474 362 R HA 0.747 5.086 4.340 -0.002 0.000 0.295 362 R C -0.784 175.497 176.300 -0.032 0.000 0.980 362 R CA -0.679 55.325 56.100 -0.160 0.000 0.934 362 R CB 1.147 31.347 30.300 -0.167 0.000 1.101 362 R HN 0.738 nan 8.270 nan 0.000 0.469 363 Y N -0.250 119.899 120.300 -0.251 0.000 2.840 363 Y HA 0.474 5.023 4.550 -0.002 0.000 0.324 363 Y C 0.687 176.414 175.900 -0.287 0.000 1.378 363 Y CA -0.803 57.106 58.100 -0.317 0.000 1.077 363 Y CB 0.217 38.285 38.460 -0.653 0.000 1.361 363 Y HN 0.694 nan 8.280 nan 0.000 0.459 364 G N 0.649 109.330 108.800 -0.200 0.000 2.291 364 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.287 364 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.287 364 G C -0.248 174.531 174.900 -0.201 0.000 0.998 364 G CA 0.650 45.644 45.100 -0.177 0.000 0.728 364 G HN 0.622 nan 8.290 nan 0.000 0.519 365 L N 0.452 121.555 121.223 -0.199 0.000 2.667 365 L HA 0.403 4.742 4.340 -0.002 0.000 0.278 365 L C 1.666 178.507 176.870 -0.049 0.000 1.217 365 L CA 1.755 56.520 54.840 -0.125 0.000 0.935 365 L CB -0.079 41.924 42.059 -0.095 0.000 1.193 365 L HN 1.205 nan 8.230 nan 0.000 0.493 366 G N 2.989 111.790 108.800 0.001 0.000 2.333 366 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.296 366 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.296 366 G C 0.726 175.652 174.900 0.044 0.000 1.059 366 G CA 0.327 45.472 45.100 0.075 0.000 1.050 366 G HN 0.874 nan 8.290 nan 0.000 0.508 367 S N -2.204 113.537 115.700 0.069 0.000 3.521 367 S HA -0.252 4.217 4.470 -0.002 0.000 0.328 367 S C 1.126 175.694 174.600 -0.053 0.000 1.165 367 S CA 1.911 60.135 58.200 0.039 0.000 0.941 367 S CB -0.604 62.626 63.200 0.049 0.000 0.951 367 S HN 1.601 nan 8.310 nan 0.000 0.539 368 K N 2.558 122.934 120.400 -0.040 0.000 2.489 368 K HA 0.093 4.412 4.320 -0.002 0.000 0.278 368 K C 0.203 176.827 176.600 0.040 0.000 1.000 368 K CA 0.337 56.608 56.287 -0.027 0.000 1.012 368 K CB 0.417 32.906 32.500 -0.018 0.000 0.903 368 K HN 0.123 nan 8.250 nan 0.000 0.485 369 E N 3.173 123.398 120.200 0.042 0.000 2.414 369 E HA -0.058 4.291 4.350 -0.002 0.000 0.263 369 E C -0.786 175.950 176.600 0.227 0.000 1.000 369 E CA 0.458 56.917 56.400 0.098 0.000 0.914 369 E CB 0.213 29.946 29.700 0.056 0.000 0.948 369 E HN 0.572 nan 8.360 nan 0.000 0.444 370 F N 3.164 123.133 119.950 0.032 0.000 2.453 370 F HA 0.105 4.631 4.527 -0.002 0.000 0.358 370 F C 0.441 176.179 175.800 -0.102 0.000 1.129 370 F CA -0.682 57.317 58.000 -0.001 0.000 1.200 370 F CB 0.443 39.471 39.000 0.046 0.000 1.431 370 F HN 0.312 nan 8.300 nan 0.000 0.503 371 S N 3.513 119.091 115.700 -0.203 0.000 2.614 371 S HA 0.342 4.811 4.470 -0.002 0.000 0.265 371 S C -2.056 172.143 174.600 -0.669 0.000 1.303 371 S CA -1.031 56.877 58.200 -0.487 0.000 1.000 371 S CB 1.371 64.417 63.200 -0.256 0.000 0.935 371 S HN 0.366 nan 8.310 nan 0.000 0.551 372 P HA 0.022 nan 4.420 nan 0.000 0.218 372 P C 1.576 178.597 177.300 -0.465 0.000 1.149 372 P CA 1.674 64.496 63.100 -0.462 0.000 0.817 372 P CB -0.250 31.332 31.700 -0.197 0.000 0.785 373 A N -0.693 121.919 122.820 -0.346 0.000 1.908 373 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 373 A C 2.156 179.490 177.584 -0.415 0.000 1.181 373 A CA 1.969 53.746 52.037 -0.432 0.000 0.627 373 A CB -1.471 17.442 19.000 -0.144 0.000 0.818 373 A HN 0.126 nan 8.150 nan 0.000 0.445 374 M N -0.751 118.654 119.600 -0.326 0.000 2.175 374 M HA -0.107 4.372 4.480 -0.002 0.000 0.264 374 M C 1.968 178.097 176.300 -0.284 0.000 1.063 374 M CA 1.185 56.361 55.300 -0.206 0.000 1.119 374 M CB -0.330 32.260 32.600 -0.017 0.000 1.377 374 M HN 0.250 nan 8.290 nan 0.000 0.415 375 V N 0.260 119.866 119.914 -0.512 0.000 2.626 375 V HA -0.208 3.911 4.120 -0.002 0.000 0.252 375 V C 2.282 178.243 176.094 -0.222 0.000 1.067 375 V CA 1.484 63.542 62.300 -0.403 0.000 1.081 375 V CB -0.707 30.858 31.823 -0.431 0.000 0.686 375 V HN 0.366 nan 8.190 nan 0.000 0.468 376 K N 0.852 121.005 120.400 -0.411 0.000 2.007 376 K HA -0.100 4.219 4.320 -0.002 0.000 0.206 376 K C 2.482 178.927 176.600 -0.259 0.000 1.047 376 K CA 1.792 57.813 56.287 -0.443 0.000 0.937 376 K CB -0.865 31.001 32.500 -1.057 0.000 0.718 376 K HN 0.284 nan 8.250 nan 0.000 0.438 377 S N -0.468 115.063 115.700 -0.281 0.000 2.402 377 S HA -0.112 4.357 4.470 -0.002 0.000 0.233 377 S C 1.784 176.242 174.600 -0.237 0.000 1.030 377 S CA 1.493 59.562 58.200 -0.218 0.000 1.003 377 S CB -0.318 62.768 63.200 -0.189 0.000 0.813 377 S HN 0.168 nan 8.310 nan 0.000 0.477 378 V N 0.013 119.785 119.914 -0.238 0.000 2.379 378 V HA -0.072 4.047 4.120 -0.002 0.000 0.245 378 V C 1.912 177.848 176.094 -0.263 0.000 1.044 378 V CA 1.649 63.765 62.300 -0.306 0.000 1.036 378 V CB -0.885 30.802 31.823 -0.227 0.000 0.664 378 V HN 0.574 nan 8.190 nan 0.000 0.453 379 Y N 0.358 120.584 120.300 -0.124 0.000 2.352 379 Y HA -0.154 4.395 4.550 -0.002 0.000 0.292 379 Y C 2.453 178.303 175.900 -0.083 0.000 1.136 379 Y CA 1.249 59.302 58.100 -0.078 0.000 1.227 379 Y CB -0.045 38.374 38.460 -0.069 0.000 0.991 379 Y HN 0.311 nan 8.280 nan 0.000 0.545 380 D N -0.564 119.845 120.400 0.015 0.000 2.194 380 D HA -0.147 4.492 4.640 -0.002 0.000 0.204 380 D C 1.718 177.984 176.300 -0.057 0.000 0.964 380 D CA 0.876 54.862 54.000 -0.023 0.000 0.846 380 D CB -0.414 40.349 40.800 -0.061 0.000 0.962 380 D HN 0.304 nan 8.370 nan 0.000 0.490 381 N N 0.231 118.854 118.700 -0.128 0.000 2.289 381 N HA -0.098 4.641 4.740 -0.002 0.000 0.184 381 N C 1.721 177.180 175.510 -0.084 0.000 1.016 381 N CA 0.857 53.809 53.050 -0.163 0.000 0.872 381 N CB -0.034 38.240 38.487 -0.354 0.000 0.973 381 N HN 0.083 nan 8.380 nan 0.000 0.433 382 M N -0.836 118.737 119.600 -0.044 0.000 2.254 382 M HA -0.014 4.465 4.480 -0.002 0.000 0.265 382 M C 1.154 177.471 176.300 0.028 0.000 1.066 382 M CA 0.925 56.233 55.300 0.013 0.000 1.123 382 M CB -0.015 32.618 32.600 0.056 0.000 1.388 382 M HN 0.261 nan 8.290 nan 0.000 0.425 383 S N -0.705 115.011 115.700 0.027 0.000 2.573 383 S HA 0.461 4.930 4.470 -0.002 0.000 0.244 383 S C 0.472 175.077 174.600 0.010 0.000 0.984 383 S CA -0.174 58.043 58.200 0.027 0.000 1.001 383 S CB 0.098 63.320 63.200 0.037 0.000 0.788 383 S HN 0.427 nan 8.310 nan 0.000 0.456 384 G N 0.913 109.711 108.800 -0.003 0.000 3.453 384 G HA2 0.535 4.494 3.960 -0.002 0.000 0.165 384 G HA3 0.535 4.494 3.960 -0.002 0.000 0.165 384 G C 0.976 175.868 174.900 -0.012 0.000 1.220 384 G CA 0.040 45.134 45.100 -0.010 0.000 1.305 384 G HN 0.469 nan 8.290 nan 0.000 0.695 385 A N -0.075 122.731 122.820 -0.024 0.000 2.032 385 A HA 0.054 4.373 4.320 -0.002 0.000 0.221 385 A C 1.502 179.081 177.584 -0.008 0.000 1.165 385 A CA 2.373 54.399 52.037 -0.019 0.000 0.645 385 A CB -0.812 18.169 19.000 -0.032 0.000 0.807 385 A HN 0.839 nan 8.150 nan 0.000 0.453 386 K N -1.379 119.012 120.400 -0.016 0.000 3.016 386 K HA -0.203 4.116 4.320 -0.002 0.000 0.262 386 K C 0.109 176.729 176.600 0.034 0.000 1.043 386 K CA 1.099 57.391 56.287 0.008 0.000 0.761 386 K CB -1.397 31.116 32.500 0.022 0.000 1.230 386 K HN 0.764 nan 8.250 nan 0.000 0.485 387 K N 1.401 121.814 120.400 0.022 0.000 2.448 387 K HA 0.013 4.332 4.320 -0.002 0.000 0.278 387 K C -0.013 176.704 176.600 0.194 0.000 1.009 387 K CA 0.043 56.378 56.287 0.081 0.000 0.995 387 K CB 0.501 33.033 32.500 0.054 0.000 0.917 387 K HN 0.091 nan 8.250 nan 0.000 0.481 388 N N 1.773 120.575 118.700 0.170 0.000 2.443 388 N HA 0.143 4.882 4.740 -0.002 0.000 0.293 388 N C -1.196 174.371 175.510 0.096 0.000 1.159 388 N CA -0.252 52.859 53.050 0.102 0.000 0.904 388 N CB 0.637 39.168 38.487 0.074 0.000 1.214 388 N HN 0.708 nan 8.380 nan 0.000 0.513 389 H N -0.360 118.593 119.070 -0.195 0.000 2.591 389 H HA -0.204 4.351 4.556 -0.002 0.000 0.325 389 H C -0.746 174.484 175.328 -0.163 0.000 1.096 389 H CA 1.002 56.877 56.048 -0.287 0.000 1.108 389 H CB -1.879 27.764 29.762 -0.197 0.000 1.590 389 H HN 0.331 nan 8.280 nan 0.000 0.399 390 F N -1.371 118.552 119.950 -0.046 0.000 2.497 390 F HA 0.775 5.301 4.527 -0.002 0.000 0.331 390 F C 0.374 176.157 175.800 -0.028 0.000 1.060 390 F CA -0.759 57.224 58.000 -0.027 0.000 0.989 390 F CB 1.256 40.235 39.000 -0.036 0.000 1.245 390 F HN 0.117 nan 8.300 nan 0.000 0.486 391 T N -0.608 114.115 114.554 0.282 0.000 2.912 391 T HA 0.788 5.137 4.350 -0.002 0.000 0.288 391 T C -1.197 173.661 174.700 0.264 0.000 1.030 391 T CA -0.791 61.414 62.100 0.176 0.000 1.020 391 T CB 1.543 70.454 68.868 0.072 0.000 1.056 391 T HN 0.721 nan 8.240 nan 0.000 0.480 392 V N 1.602 121.641 119.914 0.209 0.000 2.524 392 V HA 0.749 4.868 4.120 -0.002 0.000 0.297 392 V C 0.959 177.140 176.094 0.145 0.000 1.035 392 V CA -0.002 62.412 62.300 0.190 0.000 0.867 392 V CB 0.728 32.712 31.823 0.269 0.000 1.004 392 V HN 1.477 nan 8.190 nan 0.000 0.426 393 G N 4.307 113.173 108.800 0.110 0.000 2.296 393 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.188 393 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.188 393 G C -0.138 174.796 174.900 0.057 0.000 1.000 393 G CA 0.163 45.318 45.100 0.093 0.000 0.672 393 G HN 0.933 nan 8.290 nan 0.000 0.483 394 I N -1.707 118.894 120.570 0.051 0.000 3.264 394 I HA 0.841 5.010 4.170 -0.002 0.000 0.315 394 I C -1.095 175.048 176.117 0.044 0.000 1.154 394 I CA -1.784 59.541 61.300 0.042 0.000 0.962 394 I CB 1.700 39.717 38.000 0.027 0.000 1.265 394 I HN 0.056 nan 8.210 nan 0.000 0.463 395 E N 2.014 122.243 120.200 0.048 0.000 2.070 395 E HA 0.176 4.525 4.350 -0.002 0.000 0.261 395 E C -1.256 175.371 176.600 0.046 0.000 0.926 395 E CA -0.394 56.032 56.400 0.043 0.000 0.760 395 E CB 0.616 30.340 29.700 0.041 0.000 1.133 395 E HN 0.562 nan 8.360 nan 0.000 0.420 396 D N 4.313 124.737 120.400 0.039 0.000 2.483 396 D HA -0.032 4.607 4.640 -0.002 0.000 0.220 396 D C 0.289 176.607 176.300 0.030 0.000 1.173 396 D CA -0.275 53.747 54.000 0.036 0.000 0.964 396 D CB 0.556 41.375 40.800 0.032 0.000 1.046 396 D HN 0.481 nan 8.370 nan 0.000 0.517 397 D N 2.021 122.439 120.400 0.031 0.000 2.349 397 D HA -0.098 4.541 4.640 -0.002 0.000 0.214 397 D C 1.529 177.841 176.300 0.019 0.000 1.063 397 D CA 0.123 54.136 54.000 0.022 0.000 0.847 397 D CB 0.034 40.846 40.800 0.020 0.000 0.933 397 D HN 0.316 nan 8.370 nan 0.000 0.513 398 V N -0.878 119.049 119.914 0.022 0.000 2.492 398 V HA 0.103 4.222 4.120 -0.002 0.000 0.241 398 V C 1.906 178.006 176.094 0.010 0.000 1.041 398 V CA 1.550 63.860 62.300 0.016 0.000 1.057 398 V CB -0.487 31.348 31.823 0.021 0.000 0.711 398 V HN 0.249 nan 8.190 nan 0.000 0.468 399 T N -2.618 111.943 114.554 0.011 0.000 3.040 399 T HA 0.430 4.779 4.350 -0.002 0.000 0.266 399 T C 1.369 176.077 174.700 0.013 0.000 1.005 399 T CA 0.410 62.514 62.100 0.006 0.000 0.906 399 T CB 0.001 68.869 68.868 -0.001 0.000 1.082 399 T HN 1.604 nan 8.240 nan 0.000 0.531 400 G N 2.508 111.318 108.800 0.018 0.000 2.334 400 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.279 400 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.279 400 G C 0.588 175.509 174.900 0.034 0.000 0.918 400 G CA 0.747 45.861 45.100 0.023 0.000 1.314 400 G HN 0.981 nan 8.290 nan 0.000 0.463 401 T N -2.723 111.858 114.554 0.045 0.000 3.004 401 T HA 0.491 4.840 4.350 -0.002 0.000 0.266 401 T C 1.374 176.139 174.700 0.109 0.000 0.986 401 T CA 0.922 63.066 62.100 0.074 0.000 0.902 401 T CB 0.232 69.135 68.868 0.060 0.000 1.118 401 T HN 1.474 nan 8.240 nan 0.000 0.522 402 S N 1.813 117.560 115.700 0.078 0.000 2.603 402 S HA 0.622 5.091 4.470 -0.002 0.000 0.268 402 S C -0.268 174.362 174.600 0.049 0.000 1.317 402 S CA -0.826 57.424 58.200 0.083 0.000 1.012 402 S CB 0.540 63.774 63.200 0.056 0.000 0.926 402 S HN 0.167 nan 8.310 nan 0.000 0.539 403 L N 2.672 123.910 121.223 0.025 0.000 2.325 403 L HA 0.501 4.840 4.340 -0.002 0.000 0.279 403 L C -1.956 174.884 176.870 -0.051 0.000 1.054 403 L CA -2.080 52.720 54.840 -0.067 0.000 0.804 403 L CB 0.540 42.484 42.059 -0.192 0.000 1.200 403 L HN 0.597 nan 8.230 nan 0.000 0.436 404 P HA 0.095 nan 4.420 nan 0.000 0.271 404 P C -1.048 176.216 177.300 -0.061 0.000 1.233 404 P CA -0.100 62.972 63.100 -0.046 0.000 0.764 404 P CB 0.795 32.468 31.700 -0.045 0.000 0.825 405 V N 3.975 123.862 119.914 -0.044 0.000 2.357 405 V HA 0.131 4.250 4.120 -0.002 0.000 0.284 405 V C 0.398 176.467 176.094 -0.042 0.000 1.018 405 V CA -0.393 61.872 62.300 -0.058 0.000 0.841 405 V CB 1.270 33.068 31.823 -0.041 0.000 0.991 405 V HN 0.489 nan 8.190 nan 0.000 0.437 406 D N 4.230 124.598 120.400 -0.053 0.000 2.435 406 D HA 0.107 4.746 4.640 -0.002 0.000 0.230 406 D C 1.161 177.471 176.300 0.016 0.000 1.215 406 D CA -0.010 53.982 54.000 -0.014 0.000 0.947 406 D CB 0.361 41.158 40.800 -0.006 0.000 1.048 406 D HN 0.422 nan 8.370 nan 0.000 0.512 407 N N 2.402 121.115 118.700 0.021 0.000 2.585 407 N HA -0.131 4.608 4.740 -0.002 0.000 0.188 407 N C 0.882 176.436 175.510 0.073 0.000 1.102 407 N CA 0.372 53.448 53.050 0.043 0.000 0.920 407 N CB 0.165 38.671 38.487 0.032 0.000 0.963 407 N HN 0.423 nan 8.380 nan 0.000 0.447 408 A N 0.334 123.198 122.820 0.073 0.000 2.346 408 A HA 0.100 4.419 4.320 -0.002 0.000 0.242 408 A C 0.227 177.879 177.584 0.113 0.000 1.323 408 A CA -0.535 51.544 52.037 0.070 0.000 0.940 408 A CB -1.002 18.028 19.000 0.049 0.000 0.943 408 A HN 0.241 nan 8.150 nan 0.000 0.501 409 F N 1.108 121.028 119.950 -0.050 0.000 2.443 409 F HA 0.456 4.982 4.527 -0.002 0.000 0.353 409 F C 0.862 176.617 175.800 -0.075 0.000 1.101 409 F CA -0.691 57.263 58.000 -0.077 0.000 1.226 409 F CB 0.617 39.548 39.000 -0.114 0.000 1.140 409 F HN 0.303 nan 8.300 nan 0.000 0.557 410 A N 5.500 127.917 122.820 -0.671 0.000 2.498 410 A HA 0.005 4.324 4.320 -0.002 0.000 0.239 410 A C 0.037 177.240 177.584 -0.635 0.000 1.068 410 A CA -0.425 51.289 52.037 -0.538 0.000 0.766 410 A CB 0.001 18.743 19.000 -0.430 0.000 1.003 410 A HN 0.831 nan 8.150 nan 0.000 0.497 411 D N 1.244 121.481 120.400 -0.272 0.000 2.488 411 D HA 0.044 4.683 4.640 -0.002 0.000 0.238 411 D C 1.084 177.282 176.300 -0.170 0.000 1.138 411 D CA 1.233 55.143 54.000 -0.151 0.000 0.873 411 D CB 0.706 41.493 40.800 -0.022 0.000 1.183 411 D HN 0.582 nan 8.370 nan 0.000 0.458 412 T N -0.982 113.512 114.554 -0.099 0.000 3.084 412 T HA 0.082 4.431 4.350 -0.002 0.000 0.270 412 T C 0.911 175.672 174.700 0.100 0.000 1.008 412 T CA -0.293 61.802 62.100 -0.009 0.000 0.900 412 T CB -0.137 68.680 68.868 -0.085 0.000 1.084 412 T HN 0.435 nan 8.240 nan 0.000 0.538 413 T N 1.547 116.162 114.554 0.103 0.000 2.903 413 T HA 0.341 4.690 4.350 -0.002 0.000 0.314 413 T C -2.521 172.218 174.700 0.066 0.000 1.078 413 T CA -1.068 61.088 62.100 0.093 0.000 1.114 413 T CB -0.171 68.743 68.868 0.077 0.000 0.987 413 T HN 0.011 nan 8.240 nan 0.000 0.548 414 P HA 0.126 nan 4.420 nan 0.000 0.267 414 P C -0.058 177.261 177.300 0.031 0.000 1.201 414 P CA -0.335 62.777 63.100 0.021 0.000 0.775 414 P CB 0.391 32.082 31.700 -0.015 0.000 0.854 415 K N 1.448 121.862 120.400 0.023 0.000 2.382 415 K HA 0.274 4.593 4.320 -0.002 0.000 0.275 415 K C 0.961 177.585 176.600 0.041 0.000 1.009 415 K CA 0.748 57.052 56.287 0.029 0.000 0.970 415 K CB -0.455 32.055 32.500 0.016 0.000 0.934 415 K HN 0.743 nan 8.250 nan 0.000 0.479 416 G N 2.215 111.045 108.800 0.049 0.000 2.160 416 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.244 416 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.244 416 G C -0.181 174.770 174.900 0.085 0.000 1.022 416 G CA 0.387 45.524 45.100 0.062 0.000 0.741 416 G HN 0.610 nan 8.290 nan 0.000 0.508 417 T N 0.449 115.055 114.554 0.086 0.000 2.795 417 T HA 0.597 4.946 4.350 -0.002 0.000 0.282 417 T C 0.082 174.861 174.700 0.132 0.000 0.980 417 T CA -0.268 61.900 62.100 0.113 0.000 1.012 417 T CB 1.486 70.404 68.868 0.083 0.000 0.936 417 T HN 0.204 nan 8.240 nan 0.000 0.457 418 I N 3.942 124.627 120.570 0.192 0.000 2.310 418 I HA 0.205 4.374 4.170 -0.002 0.000 0.287 418 I C 0.485 176.770 176.117 0.279 0.000 1.073 418 I CA -0.183 61.247 61.300 0.216 0.000 1.216 418 I CB 0.821 38.943 38.000 0.203 0.000 1.415 418 I HN 0.496 nan 8.210 nan 0.000 0.480 419 Q N 4.758 124.679 119.800 0.201 0.000 2.279 419 Q HA 0.483 4.822 4.340 -0.002 0.000 0.256 419 Q C -0.838 175.307 176.000 0.242 0.000 0.937 419 Q CA -0.374 55.538 55.803 0.181 0.000 0.933 419 Q CB 1.539 30.347 28.738 0.116 0.000 1.189 419 Q HN 0.581 nan 8.270 nan 0.000 0.417 420 C N 2.074 121.548 119.300 0.290 0.000 2.562 420 C HA 0.533 4.992 4.460 -0.002 0.000 0.332 420 C C -0.267 174.849 174.990 0.209 0.000 1.201 420 C CA -0.721 58.510 59.018 0.355 0.000 1.803 420 C CB 1.658 29.801 27.740 0.672 0.000 2.328 420 C HN 0.783 nan 8.230 nan 0.000 0.500 421 Q N 0.363 120.192 119.800 0.048 0.000 2.359 421 Q HA 0.671 5.010 4.340 -0.002 0.000 0.274 421 Q C -1.868 174.014 176.000 -0.198 0.000 1.074 421 Q CA -0.326 55.435 55.803 -0.071 0.000 0.810 421 Q CB 2.407 31.104 28.738 -0.068 0.000 1.342 421 Q HN 0.620 nan 8.270 nan 0.000 0.427 422 F N 0.651 120.491 119.950 -0.184 0.000 2.557 422 F HA 0.401 4.927 4.527 -0.002 0.000 0.316 422 F C -1.184 174.498 175.800 -0.197 0.000 1.141 422 F CA -0.665 57.237 58.000 -0.163 0.000 0.922 422 F CB 1.224 40.099 39.000 -0.207 0.000 1.194 422 F HN 0.455 nan 8.300 nan 0.000 0.443 423 W N 2.930 124.172 121.300 -0.096 0.000 2.347 423 W HA 0.655 5.314 4.660 -0.002 0.000 0.321 423 W C 0.316 176.900 176.519 0.109 0.000 0.971 423 W CA -1.060 56.310 57.345 0.041 0.000 1.508 423 W CB 1.450 30.989 29.460 0.131 0.000 1.299 423 W HN 0.619 nan 8.180 nan 0.000 0.399 424 G N 1.793 110.750 108.800 0.260 0.000 2.489 424 G HA2 0.634 4.593 3.960 -0.002 0.000 0.327 424 G HA3 0.634 4.593 3.960 -0.002 0.000 0.327 424 G C -1.682 173.399 174.900 0.301 0.000 1.189 424 G CA -0.946 44.307 45.100 0.256 0.000 0.962 424 G HN 0.240 nan 8.290 nan 0.000 0.486 425 L N 0.906 122.262 121.223 0.221 0.000 2.325 425 L HA 0.700 5.039 4.340 -0.002 0.000 0.279 425 L C 0.955 177.926 176.870 0.168 0.000 1.054 425 L CA -0.447 54.530 54.840 0.229 0.000 0.804 425 L CB 1.085 43.230 42.059 0.143 0.000 1.200 425 L HN 0.666 nan 8.230 nan 0.000 0.436 426 G N 4.063 112.961 108.800 0.164 0.000 2.202 426 G HA2 0.404 4.363 3.960 -0.002 0.000 0.251 426 G HA3 0.404 4.363 3.960 -0.002 0.000 0.251 426 G C 0.723 175.689 174.900 0.109 0.000 1.219 426 G CA 0.392 45.575 45.100 0.138 0.000 0.943 426 G HN 1.944 nan 8.290 nan 0.000 0.465 427 A N 2.017 124.894 122.820 0.096 0.000 3.294 427 A HA -0.165 4.154 4.320 -0.002 0.000 0.242 427 A C 1.396 179.022 177.584 0.070 0.000 1.282 427 A CA 1.482 53.563 52.037 0.073 0.000 1.197 427 A CB -1.847 17.192 19.000 0.064 0.000 1.145 427 A HN 1.144 nan 8.150 nan 0.000 0.898 428 D N -1.744 118.706 120.400 0.084 0.000 2.339 428 D HA 0.401 5.040 4.640 -0.002 0.000 0.217 428 D C 1.584 177.932 176.300 0.080 0.000 1.050 428 D CA 1.324 55.371 54.000 0.079 0.000 0.856 428 D CB -0.251 40.604 40.800 0.091 0.000 0.922 428 D HN 1.833 nan 8.370 nan 0.000 0.518 429 G N -0.641 108.207 108.800 0.080 0.000 2.232 429 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.226 429 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.226 429 G C 1.318 176.267 174.900 0.082 0.000 0.996 429 G CA 0.490 45.633 45.100 0.070 0.000 0.626 429 G HN 0.310 nan 8.290 nan 0.000 0.509 430 T N 1.184 115.824 114.554 0.143 0.000 2.531 430 T HA -0.275 4.074 4.350 -0.002 0.000 0.261 430 T C 2.449 177.180 174.700 0.052 0.000 1.141 430 T CA 2.802 65.020 62.100 0.195 0.000 1.176 430 T CB -0.683 68.340 68.868 0.257 0.000 0.863 430 T HN 0.497 nan 8.240 nan 0.000 0.424 431 V N 1.368 121.290 119.914 0.013 0.000 2.231 431 V HA -0.180 3.939 4.120 -0.002 0.000 0.248 431 V C 2.904 178.918 176.094 -0.134 0.000 1.054 431 V CA 2.189 64.427 62.300 -0.103 0.000 1.015 431 V CB -1.506 30.157 31.823 -0.267 0.000 0.638 431 V HN 0.704 nan 8.190 nan 0.000 0.444 432 G N -0.768 107.978 108.800 -0.091 0.000 2.475 432 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.220 432 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.220 432 G C 1.640 176.516 174.900 -0.040 0.000 1.125 432 G CA 1.126 46.182 45.100 -0.074 0.000 0.755 432 G HN 0.660 nan 8.290 nan 0.000 0.565 433 A N 0.627 123.436 122.820 -0.018 0.000 2.021 433 A HA 0.059 4.378 4.320 -0.002 0.000 0.216 433 A C 2.257 179.792 177.584 -0.081 0.000 1.163 433 A CA 1.327 53.365 52.037 0.001 0.000 0.676 433 A CB -0.206 18.820 19.000 0.044 0.000 0.818 433 A HN 0.317 nan 8.150 nan 0.000 0.453 434 N N 0.432 119.044 118.700 -0.146 0.000 2.135 434 N HA -0.100 4.639 4.740 -0.002 0.000 0.186 434 N C 1.537 177.015 175.510 -0.052 0.000 1.027 434 N CA 1.345 54.243 53.050 -0.254 0.000 0.849 434 N CB -0.298 38.099 38.487 -0.150 0.000 1.002 434 N HN 0.517 nan 8.380 nan 0.000 0.425 435 K N 0.751 121.170 120.400 0.031 0.000 2.147 435 K HA -0.070 4.249 4.320 -0.002 0.000 0.205 435 K C 1.944 178.574 176.600 0.051 0.000 1.049 435 K CA 0.796 57.118 56.287 0.058 0.000 0.936 435 K CB 0.052 32.540 32.500 -0.020 0.000 0.722 435 K HN 0.145 nan 8.250 nan 0.000 0.446 436 Q N 0.192 120.016 119.800 0.039 0.000 2.119 436 Q HA -0.039 4.300 4.340 -0.002 0.000 0.201 436 Q C 2.114 178.212 176.000 0.164 0.000 0.972 436 Q CA 1.375 57.228 55.803 0.083 0.000 0.847 436 Q CB -0.145 28.643 28.738 0.084 0.000 0.903 436 Q HN 0.321 nan 8.270 nan 0.000 0.433 437 A N 0.604 123.503 122.820 0.131 0.000 2.125 437 A HA -0.125 4.194 4.320 -0.002 0.000 0.219 437 A C 1.873 179.610 177.584 0.254 0.000 1.156 437 A CA 0.831 52.974 52.037 0.176 0.000 0.671 437 A CB -0.302 18.530 19.000 -0.280 0.000 0.794 437 A HN 0.241 nan 8.150 nan 0.000 0.459 438 I N -0.817 119.870 120.570 0.196 0.000 2.296 438 I HA -0.075 4.094 4.170 -0.002 0.000 0.242 438 I C 2.182 178.414 176.117 0.192 0.000 1.087 438 I CA 1.275 62.711 61.300 0.227 0.000 1.393 438 I CB -1.296 36.785 38.000 0.135 0.000 1.093 438 I HN 0.123 nan 8.210 nan 0.000 0.421 439 K N 1.153 121.636 120.400 0.139 0.000 2.009 439 K HA -0.102 4.217 4.320 -0.002 0.000 0.210 439 K C 2.001 178.672 176.600 0.117 0.000 1.049 439 K CA 1.207 57.555 56.287 0.102 0.000 0.929 439 K CB -0.452 32.090 32.500 0.070 0.000 0.714 439 K HN 0.101 nan 8.250 nan 0.000 0.440 440 I N 1.013 121.677 120.570 0.157 0.000 2.039 440 I HA -0.297 3.872 4.170 -0.002 0.000 0.233 440 I C 2.250 178.465 176.117 0.163 0.000 1.040 440 I CA 1.610 63.002 61.300 0.154 0.000 1.308 440 I CB -1.137 36.998 38.000 0.227 0.000 1.035 440 I HN 0.114 nan 8.210 nan 0.000 0.392 441 I N 0.960 121.682 120.570 0.252 0.000 2.113 441 I HA -0.287 3.882 4.170 -0.002 0.000 0.242 441 I C 2.692 178.903 176.117 0.157 0.000 1.064 441 I CA 1.962 63.388 61.300 0.209 0.000 1.320 441 I CB -1.090 37.048 38.000 0.231 0.000 1.028 441 I HN 0.339 nan 8.210 nan 0.000 0.406 442 G N 0.177 109.082 108.800 0.174 0.000 2.432 442 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.219 442 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.219 442 G C 0.800 175.723 174.900 0.039 0.000 1.135 442 G CA 0.791 45.951 45.100 0.101 0.000 0.767 442 G HN 0.330 nan 8.290 nan 0.000 0.550 443 D N 0.136 120.564 120.400 0.047 0.000 2.561 443 D HA 0.194 4.833 4.640 -0.002 0.000 0.232 443 D C 0.810 177.118 176.300 0.013 0.000 1.198 443 D CA -0.063 53.947 54.000 0.017 0.000 0.826 443 D CB 0.269 41.080 40.800 0.017 0.000 0.992 443 D HN 0.210 nan 8.370 nan 0.000 0.490 444 N N -0.939 117.772 118.700 0.017 0.000 1.850 444 N HA -0.029 4.710 4.740 -0.002 0.000 0.230 444 N C 0.102 175.616 175.510 0.007 0.000 1.419 444 N CA 0.257 53.312 53.050 0.009 0.000 0.762 444 N CB 1.539 40.033 38.487 0.011 0.000 1.047 444 N HN 0.236 nan 8.380 nan 0.000 0.503 445 T N -1.799 112.763 114.554 0.014 0.000 2.907 445 T HA 0.478 4.827 4.350 -0.002 0.000 0.290 445 T C -0.977 173.716 174.700 -0.011 0.000 1.066 445 T CA -0.443 61.663 62.100 0.012 0.000 1.012 445 T CB 2.331 71.220 68.868 0.034 0.000 1.184 445 T HN -0.292 nan 8.240 nan 0.000 0.522 446 D N 1.265 121.657 120.400 -0.012 0.000 3.071 446 D HA 0.400 5.039 4.640 -0.002 0.000 0.259 446 D C -0.236 176.039 176.300 -0.042 0.000 1.331 446 D CA -0.042 53.928 54.000 -0.050 0.000 0.861 446 D CB -0.307 40.480 40.800 -0.022 0.000 1.059 446 D HN 0.420 nan 8.370 nan 0.000 0.486 447 L N -0.322 120.891 121.223 -0.017 0.000 2.322 447 L HA 0.501 4.840 4.340 -0.002 0.000 0.269 447 L C -0.100 176.773 176.870 0.005 0.000 1.012 447 L CA -1.098 53.798 54.840 0.094 0.000 0.815 447 L CB 1.236 43.409 42.059 0.191 0.000 1.295 447 L HN -0.144 nan 8.230 nan 0.000 0.438 448 F N 0.889 120.904 119.950 0.109 0.000 2.385 448 F HA 0.613 5.139 4.527 -0.002 0.000 0.336 448 F C 0.508 176.351 175.800 0.072 0.000 1.100 448 F CA -0.368 57.676 58.000 0.073 0.000 1.116 448 F CB 1.517 40.543 39.000 0.043 0.000 1.166 448 F HN 0.382 nan 8.300 nan 0.000 0.511 449 A N 3.353 126.270 122.820 0.160 0.000 2.371 449 A HA 0.665 4.984 4.320 -0.002 0.000 0.311 449 A C -1.127 176.407 177.584 -0.083 0.000 1.068 449 A CA -0.614 51.407 52.037 -0.027 0.000 0.744 449 A CB 1.660 20.700 19.000 0.066 0.000 1.239 449 A HN 0.714 nan 8.150 nan 0.000 0.435 450 Q N 1.268 120.918 119.800 -0.250 0.000 2.372 450 Q HA 0.632 4.971 4.340 -0.002 0.000 0.273 450 Q C -0.783 175.096 176.000 -0.201 0.000 1.078 450 Q CA -0.642 55.072 55.803 -0.149 0.000 0.806 450 Q CB 2.345 31.010 28.738 -0.121 0.000 1.332 450 Q HN 1.087 nan 8.270 nan 0.000 0.435 451 G N 2.009 110.765 108.800 -0.074 0.000 2.701 451 G HA2 0.557 4.516 3.960 -0.002 0.000 0.300 451 G HA3 0.557 4.516 3.960 -0.002 0.000 0.300 451 G C -2.440 172.457 174.900 -0.004 0.000 1.410 451 G CA -0.242 44.783 45.100 -0.124 0.000 1.014 451 G HN 0.496 nan 8.290 nan 0.000 0.509 452 Y N 1.197 121.235 120.300 -0.437 0.000 2.519 452 Y HA 0.734 5.283 4.550 -0.002 0.000 0.336 452 Y C -1.953 173.632 175.900 -0.525 0.000 1.089 452 Y CA -1.586 56.392 58.100 -0.203 0.000 1.025 452 Y CB 1.911 40.307 38.460 -0.108 0.000 1.318 452 Y HN 0.505 nan 8.280 nan 0.000 0.452 453 F N 2.127 121.736 119.950 -0.569 0.000 2.565 453 F HA 0.608 5.134 4.527 -0.002 0.000 0.313 453 F C -0.336 175.111 175.800 -0.587 0.000 1.091 453 F CA -0.967 56.745 58.000 -0.480 0.000 0.915 453 F CB 2.462 41.121 39.000 -0.568 0.000 1.208 453 F HN 0.307 nan 8.300 nan 0.000 0.453 454 S N 2.249 117.803 115.700 -0.244 0.000 2.520 454 S HA 0.529 4.998 4.470 -0.002 0.000 0.324 454 S C -0.857 173.621 174.600 -0.202 0.000 1.069 454 S CA -0.607 57.512 58.200 -0.135 0.000 1.121 454 S CB 0.031 63.208 63.200 -0.039 0.000 0.971 454 S HN 0.398 nan 8.310 nan 0.000 0.463 455 Y N 1.279 121.591 120.300 0.020 0.000 2.378 455 Y HA 0.533 5.082 4.550 -0.002 0.000 0.351 455 Y C 0.818 176.732 175.900 0.022 0.000 1.351 455 Y CA -0.849 57.267 58.100 0.027 0.000 1.616 455 Y CB 0.489 38.973 38.460 0.041 0.000 1.622 455 Y HN 0.392 nan 8.280 nan 0.000 0.568 456 D N -1.730 118.807 120.400 0.229 0.000 2.457 456 D HA 0.284 4.923 4.640 -0.002 0.000 0.240 456 D C 0.069 176.453 176.300 0.140 0.000 1.041 456 D CA -0.423 53.663 54.000 0.144 0.000 0.861 456 D CB 1.981 42.850 40.800 0.116 0.000 1.394 456 D HN 0.417 nan 8.370 nan 0.000 0.473 457 S N 1.075 116.846 115.700 0.119 0.000 2.474 457 S HA -0.035 4.434 4.470 -0.002 0.000 0.235 457 S C 0.629 175.299 174.600 0.118 0.000 0.997 457 S CA 0.483 58.747 58.200 0.106 0.000 0.949 457 S CB 0.001 63.256 63.200 0.091 0.000 0.766 457 S HN 0.272 nan 8.310 nan 0.000 0.517 458 K N 2.337 122.814 120.400 0.128 0.000 2.349 458 K HA 0.197 4.516 4.320 -0.002 0.000 0.289 458 K C 0.535 177.214 176.600 0.132 0.000 1.064 458 K CA 0.034 56.404 56.287 0.138 0.000 0.947 458 K CB 0.704 33.286 32.500 0.137 0.000 1.007 458 K HN 0.215 nan 8.250 nan 0.000 0.478 459 K N 0.395 120.878 120.400 0.138 0.000 2.439 459 K HA -0.040 4.279 4.320 -0.002 0.000 0.197 459 K C 0.615 177.281 176.600 0.110 0.000 1.041 459 K CA 0.489 56.850 56.287 0.122 0.000 0.970 459 K CB 0.285 32.869 32.500 0.139 0.000 0.773 459 K HN 0.306 nan 8.250 nan 0.000 0.479 460 S N -0.858 114.910 115.700 0.112 0.000 2.619 460 S HA 0.456 4.925 4.470 -0.002 0.000 0.280 460 S C -0.112 174.544 174.600 0.094 0.000 1.150 460 S CA -0.047 58.209 58.200 0.092 0.000 0.978 460 S CB 1.496 64.739 63.200 0.072 0.000 1.041 460 S HN 0.432 nan 8.310 nan 0.000 0.485 461 G N 3.167 112.028 108.800 0.101 0.000 2.246 461 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.273 461 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.273 461 G C 0.473 175.464 174.900 0.152 0.000 1.055 461 G CA 0.066 45.238 45.100 0.121 0.000 0.851 461 G HN 1.175 nan 8.290 nan 0.000 0.500 462 G N -0.648 108.241 108.800 0.148 0.000 2.477 462 G HA2 0.768 4.727 3.960 -0.002 0.000 0.304 462 G HA3 0.768 4.727 3.960 -0.002 0.000 0.304 462 G C 0.576 175.563 174.900 0.146 0.000 1.175 462 G CA -0.556 44.630 45.100 0.144 0.000 0.907 462 G HN 1.304 nan 8.290 nan 0.000 0.509 463 I N -1.727 118.879 120.570 0.061 0.000 2.581 463 I HA 0.615 4.784 4.170 -0.002 0.000 0.288 463 I C -0.585 175.518 176.117 -0.023 0.000 1.047 463 I CA -0.370 60.906 61.300 -0.040 0.000 1.374 463 I CB 1.665 39.446 38.000 -0.365 0.000 1.423 463 I HN 0.203 nan 8.210 nan 0.000 0.549 464 T N 7.401 121.939 114.554 -0.027 0.000 3.103 464 T HA 0.348 4.697 4.350 -0.002 0.000 0.352 464 T C -0.332 174.249 174.700 -0.198 0.000 1.048 464 T CA -0.212 61.822 62.100 -0.109 0.000 1.175 464 T CB 0.477 69.322 68.868 -0.038 0.000 1.029 464 T HN 0.629 nan 8.240 nan 0.000 0.498 465 I N 2.986 123.327 120.570 -0.382 0.000 2.301 465 I HA 0.427 4.596 4.170 -0.002 0.000 0.292 465 I C -0.096 175.795 176.117 -0.377 0.000 1.046 465 I CA -0.028 60.905 61.300 -0.611 0.000 1.282 465 I CB 0.379 37.722 38.000 -1.096 0.000 1.409 465 I HN 0.405 nan 8.210 nan 0.000 0.484 466 S N 5.557 121.081 115.700 -0.295 0.000 2.616 466 S HA 0.465 4.934 4.470 -0.002 0.000 0.277 466 S C -0.924 173.437 174.600 -0.399 0.000 1.234 466 S CA -0.373 57.645 58.200 -0.304 0.000 1.028 466 S CB 0.912 63.971 63.200 -0.235 0.000 0.988 466 S HN 0.626 nan 8.310 nan 0.000 0.522 467 H N 0.705 119.545 119.070 -0.383 0.000 2.727 467 H HA 0.581 5.136 4.556 -0.002 0.000 0.330 467 H C -0.870 174.302 175.328 -0.259 0.000 0.986 467 H CA -0.384 55.552 56.048 -0.187 0.000 1.251 467 H CB 0.657 30.353 29.762 -0.109 0.000 1.493 467 H HN 0.309 nan 8.280 nan 0.000 0.515 468 L N 3.065 124.270 121.223 -0.030 0.000 2.381 468 L HA 0.670 5.009 4.340 -0.002 0.000 0.268 468 L C -0.195 176.590 176.870 -0.142 0.000 0.997 468 L CA -0.820 53.928 54.840 -0.155 0.000 0.818 468 L CB 2.313 44.324 42.059 -0.080 0.000 1.310 468 L HN 0.449 nan 8.230 nan 0.000 0.416 469 R N 1.900 122.142 120.500 -0.429 0.000 2.795 469 R HA 0.760 5.099 4.340 -0.002 0.000 0.275 469 R C -1.799 174.120 176.300 -0.635 0.000 0.981 469 R CA -0.782 55.146 56.100 -0.286 0.000 0.917 469 R CB 2.702 32.915 30.300 -0.144 0.000 1.202 469 R HN 0.326 nan 8.270 nan 0.000 0.469 470 F N -0.513 119.505 119.950 0.114 0.000 2.581 470 F HA 0.684 5.210 4.527 -0.002 0.000 0.311 470 F C 0.396 176.267 175.800 0.117 0.000 1.113 470 F CA -0.628 57.448 58.000 0.127 0.000 0.935 470 F CB 2.828 41.905 39.000 0.128 0.000 1.232 470 F HN 0.669 nan 8.300 nan 0.000 0.445 471 G N 1.257 110.246 108.800 0.314 0.000 2.608 471 G HA2 0.433 4.392 3.960 -0.002 0.000 0.291 471 G HA3 0.433 4.392 3.960 -0.002 0.000 0.291 471 G C -0.657 174.420 174.900 0.295 0.000 1.425 471 G CA -0.713 44.526 45.100 0.231 0.000 0.787 471 G HN 0.582 nan 8.290 nan 0.000 0.484 472 E N -0.564 119.766 120.200 0.218 0.000 2.447 472 E HA 0.094 4.443 4.350 -0.002 0.000 0.195 472 E C 0.249 176.995 176.600 0.243 0.000 1.028 472 E CA 0.411 56.969 56.400 0.263 0.000 0.876 472 E CB 0.308 30.100 29.700 0.154 0.000 0.885 472 E HN 0.098 nan 8.360 nan 0.000 0.500 473 K N 1.058 121.464 120.400 0.010 0.000 2.208 473 K HA 0.400 4.719 4.320 -0.002 0.000 0.247 473 K C -2.676 173.479 176.600 -0.742 0.000 0.953 473 K CA -2.875 53.239 56.287 -0.288 0.000 0.837 473 K CB 0.574 32.988 32.500 -0.143 0.000 1.131 473 K HN -0.249 nan 8.250 nan 0.000 0.431 474 P HA -0.008 nan 4.420 nan 0.000 0.264 474 P C -0.351 176.713 177.300 -0.392 0.000 1.179 474 P CA 0.219 62.732 63.100 -0.979 0.000 0.763 474 P CB 0.302 31.677 31.700 -0.541 0.000 0.806 475 I N 3.872 124.316 120.570 -0.209 0.000 2.297 475 I HA 0.142 4.311 4.170 -0.002 0.000 0.291 475 I C 1.095 177.186 176.117 -0.044 0.000 1.033 475 I CA 0.299 61.550 61.300 -0.082 0.000 1.253 475 I CB 0.537 38.519 38.000 -0.030 0.000 1.396 475 I HN 0.438 nan 8.210 nan 0.000 0.476 476 Q N 2.654 122.438 119.800 -0.027 0.000 2.179 476 Q HA 0.166 4.505 4.340 -0.002 0.000 0.213 476 Q C 0.269 176.297 176.000 0.046 0.000 0.833 476 Q CA -0.070 55.745 55.803 0.020 0.000 0.990 476 Q CB 0.644 29.403 28.738 0.035 0.000 1.132 476 Q HN 0.533 nan 8.270 nan 0.000 0.493 477 S N 2.190 117.866 115.700 -0.041 0.000 3.900 477 S HA 0.008 4.477 4.470 -0.002 0.000 0.248 477 S C 0.583 174.993 174.600 -0.317 0.000 1.310 477 S CA -0.040 58.024 58.200 -0.227 0.000 0.915 477 S CB -0.288 62.607 63.200 -0.509 0.000 1.588 477 S HN 0.277 nan 8.310 nan 0.000 0.472 478 T N 1.386 115.947 114.554 0.012 0.000 3.843 478 T HA 0.409 4.758 4.350 -0.002 0.000 0.227 478 T C -0.277 174.474 174.700 0.086 0.000 1.043 478 T CA -0.589 61.522 62.100 0.018 0.000 1.012 478 T CB -1.194 67.748 68.868 0.122 0.000 1.279 478 T HN 0.587 nan 8.240 nan 0.000 0.730 479 Y N -1.797 118.413 120.300 -0.150 0.000 2.662 479 Y HA 0.591 5.140 4.550 -0.002 0.000 0.334 479 Y C -0.796 174.965 175.900 -0.231 0.000 1.185 479 Y CA -2.085 55.907 58.100 -0.180 0.000 1.074 479 Y CB 0.531 38.935 38.460 -0.093 0.000 1.330 479 Y HN 0.036 nan 8.280 nan 0.000 0.458 480 L N 1.514 122.622 121.223 -0.192 0.000 2.456 480 L HA 0.257 4.596 4.340 -0.002 0.000 0.266 480 L C -0.219 176.611 176.870 -0.067 0.000 1.258 480 L CA -0.750 53.886 54.840 -0.340 0.000 0.823 480 L CB 0.120 42.000 42.059 -0.298 0.000 1.100 480 L HN 0.556 nan 8.230 nan 0.000 0.531 481 V N 0.761 120.792 119.914 0.196 0.000 2.350 481 V HA 0.152 4.271 4.120 -0.002 0.000 0.276 481 V C 0.067 176.300 176.094 0.231 0.000 1.028 481 V CA -0.360 62.076 62.300 0.227 0.000 0.860 481 V CB 1.104 33.080 31.823 0.255 0.000 0.990 481 V HN 0.914 nan 8.190 nan 0.000 0.453 482 N N 2.996 121.808 118.700 0.186 0.000 2.197 482 N HA 0.189 4.928 4.740 -0.002 0.000 0.228 482 N C 0.287 175.868 175.510 0.119 0.000 1.212 482 N CA -0.470 52.673 53.050 0.154 0.000 0.883 482 N CB 0.533 39.107 38.487 0.145 0.000 1.107 482 N HN 0.555 nan 8.380 nan 0.000 0.519 483 R N 0.513 121.083 120.500 0.118 0.000 2.638 483 R HA 0.458 4.797 4.340 -0.002 0.000 0.261 483 R C -1.002 175.356 176.300 0.097 0.000 1.515 483 R CA -0.407 55.749 56.100 0.093 0.000 1.623 483 R CB 1.134 31.485 30.300 0.084 0.000 1.347 483 R HN 0.190 nan 8.270 nan 0.000 0.705 484 A N 0.365 123.243 122.820 0.097 0.000 2.351 484 A HA 0.210 4.529 4.320 -0.002 0.000 0.257 484 A C 0.063 177.716 177.584 0.116 0.000 1.087 484 A CA -0.231 51.872 52.037 0.110 0.000 0.798 484 A CB 0.431 19.487 19.000 0.094 0.000 1.033 484 A HN 0.403 nan 8.150 nan 0.000 0.488 485 D N -1.365 119.128 120.400 0.155 0.000 2.392 485 D HA 0.154 4.793 4.640 -0.002 0.000 0.206 485 D C -0.740 175.699 176.300 0.232 0.000 1.046 485 D CA 1.179 55.279 54.000 0.166 0.000 0.865 485 D CB 0.273 41.167 40.800 0.156 0.000 0.969 485 D HN 0.470 nan 8.370 nan 0.000 0.509 486 Y N 0.705 121.049 120.300 0.074 0.000 2.354 486 Y HA 0.479 5.028 4.550 -0.002 0.000 0.330 486 Y C -1.670 174.230 175.900 -0.000 0.000 1.011 486 Y CA -1.080 57.049 58.100 0.048 0.000 1.099 486 Y CB 1.329 39.814 38.460 0.042 0.000 1.179 486 Y HN -0.355 nan 8.280 nan 0.000 0.442 487 V N 5.468 125.155 119.914 -0.378 0.000 2.483 487 V HA 0.874 4.993 4.120 -0.002 0.000 0.297 487 V C -0.623 175.291 176.094 -0.300 0.000 1.027 487 V CA -0.530 61.594 62.300 -0.293 0.000 0.855 487 V CB 1.322 33.049 31.823 -0.160 0.000 0.995 487 V HN 0.913 nan 8.190 nan 0.000 0.424 488 A N 3.459 126.050 122.820 -0.382 0.000 2.335 488 A HA 0.634 4.953 4.320 -0.002 0.000 0.304 488 A C -0.600 177.021 177.584 0.062 0.000 1.118 488 A CA -0.417 51.511 52.037 -0.181 0.000 0.757 488 A CB 1.360 20.141 19.000 -0.365 0.000 1.188 488 A HN 0.943 nan 8.150 nan 0.000 0.460 489 C N 3.502 122.960 119.300 0.262 0.000 2.223 489 C HA 0.481 4.940 4.460 -0.002 0.000 0.324 489 C C 0.884 176.011 174.990 0.229 0.000 1.196 489 C CA -0.330 58.827 59.018 0.232 0.000 1.628 489 C CB -1.554 26.336 27.740 0.251 0.000 2.229 489 C HN 0.976 nan 8.230 nan 0.000 0.486 490 H N 3.449 122.577 119.070 0.097 0.000 2.536 490 H HA 0.138 4.693 4.556 -0.002 0.000 0.276 490 H C 0.446 175.699 175.328 -0.125 0.000 1.019 490 H CA 0.136 56.195 56.048 0.018 0.000 1.159 490 H CB 0.091 29.911 29.762 0.097 0.000 1.373 490 H HN 0.705 nan 8.280 nan 0.000 0.584 491 N N 0.703 119.306 118.700 -0.162 0.000 2.549 491 N HA 0.046 4.785 4.740 -0.002 0.000 0.290 491 N C -2.180 173.140 175.510 -0.317 0.000 1.122 491 N CA -1.807 51.011 53.050 -0.387 0.000 0.885 491 N CB 1.739 39.685 38.487 -0.901 0.000 1.455 491 N HN -0.104 nan 8.380 nan 0.000 0.521 492 P HA -0.137 nan 4.420 nan 0.000 0.221 492 P C 1.014 178.391 177.300 0.129 0.000 1.145 492 P CA 0.830 63.864 63.100 -0.109 0.000 0.795 492 P CB 0.324 31.788 31.700 -0.392 0.000 0.775 493 A N -0.199 122.659 122.820 0.064 0.000 1.933 493 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 493 A C 2.302 180.121 177.584 0.392 0.000 1.175 493 A CA 1.150 53.321 52.037 0.223 0.000 0.628 493 A CB -1.901 17.223 19.000 0.207 0.000 0.814 493 A HN 0.231 nan 8.150 nan 0.000 0.444 494 Y N -0.431 119.984 120.300 0.191 0.000 2.274 494 Y HA -0.196 4.353 4.550 -0.002 0.000 0.290 494 Y C 2.482 178.480 175.900 0.163 0.000 1.145 494 Y CA 0.253 58.484 58.100 0.218 0.000 1.203 494 Y CB -0.511 37.977 38.460 0.047 0.000 0.984 494 Y HN 0.121 nan 8.280 nan 0.000 0.533 495 V N 0.286 120.376 119.914 0.293 0.000 2.242 495 V HA -0.365 3.754 4.120 -0.002 0.000 0.257 495 V C 2.029 178.194 176.094 0.117 0.000 1.073 495 V CA 2.206 64.627 62.300 0.203 0.000 1.058 495 V CB -1.193 30.822 31.823 0.320 0.000 0.664 495 V HN 0.586 nan 8.190 nan 0.000 0.451 496 G N -1.304 107.577 108.800 0.135 0.000 3.814 496 G HA2 0.478 4.437 3.960 -0.002 0.000 0.293 496 G HA3 0.478 4.437 3.960 -0.002 0.000 0.293 496 G C 0.670 175.596 174.900 0.043 0.000 1.243 496 G CA 0.411 45.541 45.100 0.050 0.000 1.053 496 G HN 0.730 nan 8.290 nan 0.000 0.562 497 I N -5.707 114.907 120.570 0.073 0.000 4.827 497 I HA 0.467 4.636 4.170 -0.002 0.000 0.362 497 I C -0.943 175.014 176.117 -0.266 0.000 1.237 497 I CA -0.526 60.742 61.300 -0.053 0.000 1.366 497 I CB 0.551 38.560 38.000 0.015 0.000 1.742 497 I HN -0.106 nan 8.210 nan 0.000 0.588 498 Y N 1.438 121.704 120.300 -0.056 0.000 2.492 498 Y HA 0.429 4.978 4.550 -0.002 0.000 0.346 498 Y C -0.572 175.193 175.900 -0.226 0.000 0.997 498 Y CA -0.939 57.094 58.100 -0.113 0.000 1.025 498 Y CB 1.501 39.878 38.460 -0.139 0.000 1.263 498 Y HN -0.103 nan 8.280 nan 0.000 0.454 499 D N 2.911 123.299 120.400 -0.020 0.000 2.600 499 D HA 0.106 4.745 4.640 -0.002 0.000 0.226 499 D C 0.997 177.137 176.300 -0.266 0.000 1.119 499 D CA 0.316 54.254 54.000 -0.104 0.000 1.051 499 D CB 0.043 40.835 40.800 -0.013 0.000 1.106 499 D HN 0.388 nan 8.370 nan 0.000 0.491 500 I N 1.124 121.362 120.570 -0.554 0.000 2.208 500 I HA -0.204 3.965 4.170 -0.002 0.000 0.245 500 I C 0.851 176.607 176.117 -0.602 0.000 1.097 500 I CA 0.882 61.587 61.300 -0.991 0.000 1.363 500 I CB -0.676 36.766 38.000 -0.929 0.000 1.051 500 I HN 0.317 nan 8.210 nan 0.000 0.413 501 L N 1.766 122.711 121.223 -0.463 0.000 2.353 501 L HA 0.318 4.657 4.340 -0.002 0.000 0.269 501 L C 0.307 177.078 176.870 -0.165 0.000 1.085 501 L CA 0.197 54.828 54.840 -0.349 0.000 0.938 501 L CB 0.032 41.838 42.059 -0.422 0.000 1.312 501 L HN 0.145 nan 8.230 nan 0.000 0.429 502 E N 1.467 121.628 120.200 -0.066 0.000 2.165 502 E HA 0.490 4.839 4.350 -0.002 0.000 0.266 502 E C 0.889 177.503 176.600 0.023 0.000 0.889 502 E CA -0.069 56.329 56.400 -0.004 0.000 0.756 502 E CB 1.195 30.927 29.700 0.052 0.000 1.131 502 E HN 0.650 nan 8.360 nan 0.000 0.411 503 G N 4.350 113.160 108.800 0.016 0.000 2.166 503 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.260 503 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.260 503 G C 0.280 175.199 174.900 0.031 0.000 0.986 503 G CA 0.441 45.560 45.100 0.032 0.000 0.683 503 G HN 0.574 nan 8.290 nan 0.000 0.527 504 I N 1.546 122.121 120.570 0.008 0.000 2.664 504 I HA 0.286 4.455 4.170 -0.002 0.000 0.284 504 I C 0.994 177.131 176.117 0.034 0.000 1.154 504 I CA -0.585 60.722 61.300 0.012 0.000 1.402 504 I CB -0.037 37.940 38.000 -0.039 0.000 1.395 504 I HN 0.232 nan 8.210 nan 0.000 0.545 505 K N 5.929 126.362 120.400 0.055 0.000 2.559 505 K HA -0.031 4.288 4.320 -0.002 0.000 0.279 505 K C -0.271 176.370 176.600 0.069 0.000 0.967 505 K CA -0.040 56.283 56.287 0.061 0.000 1.000 505 K CB 0.094 32.638 32.500 0.073 0.000 0.890 505 K HN 0.562 nan 8.250 nan 0.000 0.501 506 D N 0.632 121.071 120.400 0.064 0.000 2.424 506 D HA 0.117 4.756 4.640 -0.002 0.000 0.244 506 D C 1.294 177.649 176.300 0.092 0.000 1.134 506 D CA 1.065 55.110 54.000 0.074 0.000 0.881 506 D CB 0.924 41.761 40.800 0.062 0.000 1.191 506 D HN 0.738 nan 8.370 nan 0.000 0.445 507 G N 1.303 110.172 108.800 0.115 0.000 2.205 507 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.261 507 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.261 507 G C 0.775 175.767 174.900 0.154 0.000 0.980 507 G CA 0.120 45.298 45.100 0.130 0.000 0.632 507 G HN 0.835 nan 8.290 nan 0.000 0.533 508 G N 0.279 109.169 108.800 0.149 0.000 2.544 508 G HA2 0.577 4.536 3.960 -0.002 0.000 0.242 508 G HA3 0.577 4.536 3.960 -0.002 0.000 0.242 508 G C 0.524 175.562 174.900 0.231 0.000 1.247 508 G CA 0.975 46.176 45.100 0.169 0.000 0.840 508 G HN 1.363 nan 8.290 nan 0.000 0.578 509 T N -1.502 113.210 114.554 0.263 0.000 2.882 509 T HA 0.552 4.901 4.350 -0.002 0.000 0.287 509 T C -0.849 174.043 174.700 0.319 0.000 0.992 509 T CA -0.659 61.642 62.100 0.335 0.000 1.076 509 T CB 1.487 70.543 68.868 0.313 0.000 0.961 509 T HN 0.517 nan 8.240 nan 0.000 0.490 510 F N 4.115 124.190 119.950 0.209 0.000 2.610 510 F HA 0.543 5.069 4.527 -0.002 0.000 0.355 510 F C -1.039 174.921 175.800 0.267 0.000 1.140 510 F CA -1.955 56.113 58.000 0.113 0.000 1.037 510 F CB 0.957 40.035 39.000 0.129 0.000 1.287 510 F HN 0.629 nan 8.300 nan 0.000 0.457 511 V N 7.962 127.788 119.914 -0.146 0.000 2.432 511 V HA 0.603 4.722 4.120 -0.002 0.000 0.275 511 V C -1.299 174.558 176.094 -0.394 0.000 1.043 511 V CA -0.347 61.829 62.300 -0.208 0.000 0.925 511 V CB 1.202 33.004 31.823 -0.035 0.000 0.985 511 V HN 0.736 nan 8.190 nan 0.000 0.466 512 L N 6.150 127.125 121.223 -0.413 0.000 2.342 512 L HA 0.549 4.888 4.340 -0.002 0.000 0.271 512 L C -0.200 176.577 176.870 -0.156 0.000 1.008 512 L CA -0.117 54.565 54.840 -0.264 0.000 0.818 512 L CB 1.901 43.873 42.059 -0.144 0.000 1.296 512 L HN 0.792 nan 8.230 nan 0.000 0.427 513 N N 2.440 121.073 118.700 -0.112 0.000 2.457 513 N HA 0.636 5.375 4.740 -0.002 0.000 0.250 513 N C -1.538 173.779 175.510 -0.321 0.000 0.982 513 N CA 0.018 52.969 53.050 -0.164 0.000 0.941 513 N CB 0.595 39.025 38.487 -0.095 0.000 1.120 513 N HN 0.787 nan 8.380 nan 0.000 0.505 514 S N 2.572 118.016 115.700 -0.427 0.000 2.614 514 S HA 0.268 4.737 4.470 -0.002 0.000 0.280 514 S C -2.952 171.247 174.600 -0.668 0.000 1.111 514 S CA -0.860 56.855 58.200 -0.808 0.000 0.847 514 S CB 1.962 64.285 63.200 -1.461 0.000 1.079 514 S HN 0.422 nan 8.310 nan 0.000 0.452 515 P HA 0.243 nan 4.420 nan 0.000 0.249 515 P C -0.803 176.384 177.300 -0.188 0.000 1.544 515 P CA 0.065 62.944 63.100 -0.370 0.000 0.932 515 P CB -0.449 31.102 31.700 -0.248 0.000 1.524 516 W N 0.457 121.706 121.300 -0.086 0.000 1.818 516 W HA 0.308 4.967 4.660 -0.002 0.000 0.334 516 W C 0.692 177.237 176.519 0.043 0.000 0.753 516 W CA -0.790 56.520 57.345 -0.059 0.000 1.826 516 W CB -0.731 28.657 29.460 -0.120 0.000 2.001 516 W HN -0.003 nan 8.180 nan 0.000 0.324 517 S N 0.561 116.397 115.700 0.226 0.000 2.474 517 S HA -0.092 4.377 4.470 -0.002 0.000 0.235 517 S C 1.253 176.081 174.600 0.379 0.000 0.997 517 S CA 0.731 59.085 58.200 0.257 0.000 0.949 517 S CB 0.067 63.350 63.200 0.140 0.000 0.766 517 S HN 0.345 nan 8.310 nan 0.000 0.517 518 S N 0.974 116.874 115.700 0.334 0.000 2.617 518 S HA 0.474 4.943 4.470 -0.002 0.000 0.283 518 S C 0.640 175.500 174.600 0.434 0.000 1.189 518 S CA -0.803 57.576 58.200 0.298 0.000 1.036 518 S CB 1.256 64.573 63.200 0.195 0.000 1.014 518 S HN 0.078 nan 8.310 nan 0.000 0.522 519 L N 1.461 122.902 121.223 0.364 0.000 2.201 519 L HA -0.021 4.318 4.340 -0.002 0.000 0.212 519 L C 2.399 179.476 176.870 0.345 0.000 1.105 519 L CA 1.940 57.055 54.840 0.459 0.000 0.775 519 L CB -1.112 41.108 42.059 0.267 0.000 0.913 519 L HN 0.978 nan 8.230 nan 0.000 0.440 520 E N -1.349 118.991 120.200 0.234 0.000 2.051 520 E HA -0.244 4.105 4.350 -0.002 0.000 0.192 520 E C 1.455 178.146 176.600 0.152 0.000 0.991 520 E CA 1.647 58.146 56.400 0.165 0.000 0.799 520 E CB -0.579 29.197 29.700 0.126 0.000 0.748 520 E HN 0.448 nan 8.360 nan 0.000 0.449 521 D N 0.375 120.882 120.400 0.178 0.000 2.097 521 D HA -0.128 4.511 4.640 -0.002 0.000 0.197 521 D C 1.845 178.155 176.300 0.016 0.000 0.984 521 D CA 1.301 55.368 54.000 0.112 0.000 0.826 521 D CB -0.169 40.720 40.800 0.148 0.000 0.973 521 D HN 0.083 nan 8.370 nan 0.000 0.460 522 M N 0.834 120.548 119.600 0.189 0.000 2.082 522 M HA -0.170 4.309 4.480 -0.002 0.000 0.258 522 M C 0.932 177.261 176.300 0.050 0.000 1.069 522 M CA 1.652 57.064 55.300 0.186 0.000 1.102 522 M CB -0.327 32.520 32.600 0.411 0.000 1.336 522 M HN -0.133 nan 8.290 nan 0.000 0.404 523 D N -0.595 119.884 120.400 0.133 0.000 2.178 523 D HA -0.148 4.491 4.640 -0.002 0.000 0.202 523 D C 1.941 178.171 176.300 -0.116 0.000 0.974 523 D CA 1.087 55.085 54.000 -0.004 0.000 0.841 523 D CB -0.332 40.535 40.800 0.110 0.000 0.953 523 D HN 0.471 nan 8.370 nan 0.000 0.478 524 K N -0.324 120.024 120.400 -0.086 0.000 2.155 524 K HA -0.129 4.190 4.320 -0.002 0.000 0.203 524 K C 1.199 177.553 176.600 -0.410 0.000 1.052 524 K CA 1.099 57.273 56.287 -0.189 0.000 0.948 524 K CB 0.124 32.552 32.500 -0.119 0.000 0.728 524 K HN 0.194 nan 8.250 nan 0.000 0.448 525 H N -0.989 117.731 119.070 -0.584 0.000 2.681 525 H HA 0.162 4.717 4.556 -0.002 0.000 0.268 525 H C -0.548 174.439 175.328 -0.568 0.000 0.967 525 H CA -0.243 55.334 56.048 -0.785 0.000 1.233 525 H CB 0.408 29.056 29.762 -1.855 0.000 1.445 525 H HN -0.007 nan 8.280 nan 0.000 0.494 526 L N 3.174 124.189 121.223 -0.347 0.000 2.281 526 L HA 0.313 4.652 4.340 -0.002 0.000 0.285 526 L C -2.364 174.319 176.870 -0.312 0.000 1.074 526 L CA -2.291 52.386 54.840 -0.271 0.000 0.817 526 L CB 0.713 42.598 42.059 -0.289 0.000 1.168 526 L HN -0.087 nan 8.230 nan 0.000 0.434 527 P HA 0.094 nan 4.420 nan 0.000 0.271 527 P C 0.325 177.443 177.300 -0.303 0.000 1.233 527 P CA 0.009 62.968 63.100 -0.234 0.000 0.789 527 P CB 0.561 32.160 31.700 -0.170 0.000 0.951 528 S N 0.020 115.570 115.700 -0.250 0.000 2.387 528 S HA -0.081 4.388 4.470 -0.002 0.000 0.226 528 S C 2.177 176.646 174.600 -0.217 0.000 1.026 528 S CA 1.209 59.256 58.200 -0.255 0.000 0.972 528 S CB -1.704 61.392 63.200 -0.173 0.000 0.814 528 S HN 0.543 nan 8.310 nan 0.000 0.477 529 G N 2.294 110.989 108.800 -0.174 0.000 2.442 529 G HA2 -0.081 3.878 3.960 -0.002 0.000 0.219 529 G HA3 -0.081 3.878 3.960 -0.002 0.000 0.219 529 G C 1.387 176.185 174.900 -0.170 0.000 1.141 529 G CA 1.037 46.051 45.100 -0.144 0.000 0.763 529 G HN 0.477 nan 8.290 nan 0.000 0.554 530 I N 0.807 121.246 120.570 -0.218 0.000 2.233 530 I HA -0.049 4.120 4.170 -0.002 0.000 0.243 530 I C 2.619 178.568 176.117 -0.280 0.000 1.093 530 I CA 1.125 62.278 61.300 -0.245 0.000 1.380 530 I CB -0.952 36.896 38.000 -0.253 0.000 1.067 530 I HN 0.212 nan 8.210 nan 0.000 0.413 531 K N 0.484 120.621 120.400 -0.438 0.000 2.032 531 K HA -0.218 4.101 4.320 -0.002 0.000 0.209 531 K C 2.239 178.784 176.600 -0.092 0.000 1.048 531 K CA 1.492 57.433 56.287 -0.577 0.000 0.927 531 K CB -0.257 31.546 32.500 -1.162 0.000 0.712 531 K HN 0.132 nan 8.250 nan 0.000 0.441 532 R N 0.724 121.153 120.500 -0.118 0.000 2.105 532 R HA -0.127 4.212 4.340 -0.002 0.000 0.239 532 R C 2.019 178.314 176.300 -0.008 0.000 1.135 532 R CA 1.985 58.072 56.100 -0.020 0.000 0.967 532 R CB -0.231 30.040 30.300 -0.049 0.000 0.861 532 R HN 0.135 nan 8.270 nan 0.000 0.442 533 T N 1.256 115.777 114.554 -0.056 0.000 2.770 533 T HA -0.040 4.309 4.350 -0.002 0.000 0.263 533 T C 1.707 176.389 174.700 -0.029 0.000 1.039 533 T CA 1.107 63.176 62.100 -0.050 0.000 1.142 533 T CB -0.060 68.749 68.868 -0.099 0.000 0.868 533 T HN 0.114 nan 8.240 nan 0.000 0.435 534 I N 1.684 122.222 120.570 -0.053 0.000 2.399 534 I HA -0.156 4.013 4.170 -0.002 0.000 0.254 534 I C 2.608 178.645 176.117 -0.135 0.000 1.146 534 I CA 1.146 62.392 61.300 -0.090 0.000 1.412 534 I CB -1.403 36.515 38.000 -0.138 0.000 1.076 534 I HN 0.210 nan 8.210 nan 0.000 0.432 535 A N 0.742 123.553 122.820 -0.016 0.000 1.901 535 A HA -0.057 4.262 4.320 -0.002 0.000 0.210 535 A C 2.044 179.705 177.584 0.128 0.000 1.208 535 A CA 0.817 52.919 52.037 0.108 0.000 0.644 535 A CB -0.629 18.494 19.000 0.204 0.000 0.863 535 A HN 0.319 nan 8.150 nan 0.000 0.454 536 N N 0.361 119.113 118.700 0.086 0.000 2.272 536 N HA -0.100 4.639 4.740 -0.002 0.000 0.185 536 N C 1.147 176.699 175.510 0.070 0.000 1.014 536 N CA 1.327 54.419 53.050 0.070 0.000 0.870 536 N CB -0.139 38.374 38.487 0.044 0.000 0.975 536 N HN 0.505 nan 8.380 nan 0.000 0.433 537 K N 0.170 120.613 120.400 0.072 0.000 2.372 537 K HA 0.153 4.472 4.320 -0.002 0.000 0.200 537 K C -0.300 176.370 176.600 0.115 0.000 1.022 537 K CA -0.077 56.256 56.287 0.077 0.000 1.125 537 K CB 0.602 33.137 32.500 0.058 0.000 0.855 537 K HN -0.139 nan 8.250 nan 0.000 0.524 538 K N 1.111 121.602 120.400 0.151 0.000 3.071 538 K HA -0.182 4.137 4.320 -0.002 0.000 0.262 538 K C -0.430 176.313 176.600 0.238 0.000 0.977 538 K CA 0.454 56.865 56.287 0.207 0.000 0.721 538 K CB -2.040 30.547 32.500 0.145 0.000 1.293 538 K HN 0.237 nan 8.250 nan 0.000 0.475 539 L N 0.417 121.790 121.223 0.250 0.000 2.467 539 L HA 0.045 4.384 4.340 -0.002 0.000 0.270 539 L C 0.924 178.036 176.870 0.403 0.000 1.205 539 L CA 0.118 55.126 54.840 0.281 0.000 0.828 539 L CB 0.419 42.626 42.059 0.247 0.000 1.101 539 L HN 0.133 nan 8.230 nan 0.000 0.479 540 K N 3.157 123.793 120.400 0.392 0.000 2.265 540 K HA 0.186 4.505 4.320 -0.002 0.000 0.242 540 K C -0.646 176.288 176.600 0.557 0.000 1.137 540 K CA -0.368 56.173 56.287 0.423 0.000 1.082 540 K CB 0.087 32.836 32.500 0.415 0.000 1.731 540 K HN 0.221 nan 8.250 nan 0.000 0.392 541 F N 2.526 122.704 119.950 0.379 0.000 2.502 541 F HA 0.099 4.625 4.527 -0.002 0.000 0.371 541 F C -0.791 175.127 175.800 0.196 0.000 1.083 541 F CA -0.621 57.558 58.000 0.298 0.000 1.174 541 F CB 0.086 39.278 39.000 0.320 0.000 1.096 541 F HN 0.271 nan 8.300 nan 0.000 0.545 542 Y N 5.485 125.580 120.300 -0.341 0.000 2.345 542 Y HA 0.248 4.797 4.550 -0.002 0.000 0.331 542 Y C 0.230 175.720 175.900 -0.683 0.000 0.959 542 Y CA -0.852 57.004 58.100 -0.407 0.000 1.204 542 Y CB 0.839 39.220 38.460 -0.132 0.000 1.135 542 Y HN 0.631 nan 8.280 nan 0.000 0.477 543 N N 2.526 120.831 118.700 -0.658 0.000 2.463 543 N HA 0.630 5.369 4.740 -0.002 0.000 0.270 543 N C -1.673 173.723 175.510 -0.191 0.000 1.205 543 N CA -0.311 52.428 53.050 -0.519 0.000 0.974 543 N CB 0.866 39.029 38.487 -0.539 0.000 1.197 543 N HN 0.540 nan 8.380 nan 0.000 0.504 544 I N 0.761 121.236 120.570 -0.159 0.000 2.731 544 I HA 0.199 4.368 4.170 -0.002 0.000 0.289 544 I C -1.767 174.278 176.117 -0.120 0.000 1.399 544 I CA -0.450 60.795 61.300 -0.091 0.000 1.048 544 I CB 1.917 39.884 38.000 -0.055 0.000 1.345 544 I HN 0.555 nan 8.210 nan 0.000 0.425 545 D N 6.565 126.909 120.400 -0.093 0.000 2.767 545 D HA 0.386 5.025 4.640 -0.002 0.000 0.241 545 D C 1.131 177.379 176.300 -0.088 0.000 1.187 545 D CA 0.474 54.406 54.000 -0.113 0.000 0.999 545 D CB 1.024 41.774 40.800 -0.084 0.000 1.042 545 D HN 0.712 nan 8.370 nan 0.000 0.510 546 A N 1.326 124.089 122.820 -0.095 0.000 1.986 546 A HA -0.166 4.153 4.320 -0.002 0.000 0.220 546 A C 2.214 179.757 177.584 -0.067 0.000 1.171 546 A CA 1.165 53.157 52.037 -0.075 0.000 0.640 546 A CB -0.163 18.783 19.000 -0.089 0.000 0.811 546 A HN 0.405 nan 8.150 nan 0.000 0.451 547 V N 0.377 120.242 119.914 -0.081 0.000 2.307 547 V HA -0.222 3.897 4.120 -0.002 0.000 0.245 547 V C 2.613 178.678 176.094 -0.049 0.000 1.045 547 V CA 2.158 64.419 62.300 -0.064 0.000 1.024 547 V CB -0.637 31.140 31.823 -0.076 0.000 0.651 547 V HN 0.581 nan 8.190 nan 0.000 0.449 548 K N 0.521 120.890 120.400 -0.052 0.000 2.002 548 K HA -0.147 4.172 4.320 -0.002 0.000 0.209 548 K C 2.125 178.709 176.600 -0.028 0.000 1.048 548 K CA 1.711 57.977 56.287 -0.036 0.000 0.930 548 K CB -0.414 32.065 32.500 -0.035 0.000 0.714 548 K HN 0.315 nan 8.250 nan 0.000 0.438 549 I N 1.528 122.080 120.570 -0.030 0.000 2.335 549 I HA -0.209 3.960 4.170 -0.002 0.000 0.251 549 I C 2.372 178.476 176.117 -0.022 0.000 1.129 549 I CA 1.326 62.613 61.300 -0.022 0.000 1.402 549 I CB -1.504 36.484 38.000 -0.020 0.000 1.069 549 I HN 0.126 nan 8.210 nan 0.000 0.424 550 A N -0.124 122.679 122.820 -0.028 0.000 2.167 550 A HA -0.056 4.263 4.320 -0.002 0.000 0.214 550 A C 2.273 179.843 177.584 -0.024 0.000 1.151 550 A CA 1.408 53.429 52.037 -0.026 0.000 0.735 550 A CB -0.616 18.366 19.000 -0.029 0.000 0.802 550 A HN 0.409 nan 8.150 nan 0.000 0.467 551 T N -0.287 114.254 114.554 -0.022 0.000 3.031 551 T HA -0.030 4.319 4.350 -0.002 0.000 0.254 551 T C 1.249 175.940 174.700 -0.015 0.000 1.060 551 T CA 0.867 62.957 62.100 -0.018 0.000 1.135 551 T CB -0.168 68.691 68.868 -0.016 0.000 0.896 551 T HN 0.404 nan 8.240 nan 0.000 0.472 552 D N 1.895 122.287 120.400 -0.015 0.000 2.144 552 D HA -0.082 4.557 4.640 -0.002 0.000 0.199 552 D C 2.266 178.558 176.300 -0.013 0.000 0.984 552 D CA 1.128 55.120 54.000 -0.012 0.000 0.834 552 D CB -0.294 40.501 40.800 -0.009 0.000 0.955 552 D HN 0.426 nan 8.370 nan 0.000 0.465 553 V N -2.587 117.317 119.914 -0.017 0.000 3.461 553 V HA 0.336 4.455 4.120 -0.002 0.000 0.267 553 V C 1.444 177.523 176.094 -0.025 0.000 1.186 553 V CA 0.682 62.970 62.300 -0.020 0.000 1.154 553 V CB -0.488 31.320 31.823 -0.023 0.000 0.802 553 V HN 0.224 nan 8.190 nan 0.000 0.474 554 G N 0.941 109.727 108.800 -0.023 0.000 2.171 554 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.238 554 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.238 554 G C 0.142 175.023 174.900 -0.032 0.000 1.039 554 G CA 0.362 45.447 45.100 -0.025 0.000 0.759 554 G HN 0.554 nan 8.290 nan 0.000 0.501 555 L N -0.138 121.065 121.223 -0.034 0.000 2.728 555 L HA 0.395 4.734 4.340 -0.002 0.000 0.235 555 L C 2.180 179.035 176.870 -0.026 0.000 1.197 555 L CA 0.638 55.453 54.840 -0.042 0.000 0.992 555 L CB -0.208 41.824 42.059 -0.047 0.000 1.263 555 L HN 0.915 nan 8.230 nan 0.000 0.484 556 G N 0.227 109.015 108.800 -0.019 0.000 2.328 556 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.256 556 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.256 556 G C 0.975 175.869 174.900 -0.010 0.000 1.014 556 G CA 0.139 45.233 45.100 -0.010 0.000 0.620 556 G HN 0.737 nan 8.290 nan 0.000 0.530 557 G N -1.229 107.562 108.800 -0.014 0.000 2.192 557 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.193 557 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.193 557 G C 0.196 175.086 174.900 -0.017 0.000 0.999 557 G CA 0.617 45.707 45.100 -0.017 0.000 0.659 557 G HN 0.909 nan 8.290 nan 0.000 0.503 558 R N 0.648 121.142 120.500 -0.009 0.000 2.351 558 R HA 0.345 4.684 4.340 -0.002 0.000 0.318 558 R C 1.622 177.915 176.300 -0.011 0.000 1.055 558 R CA 0.198 56.297 56.100 -0.001 0.000 0.968 558 R CB 0.237 30.546 30.300 0.016 0.000 0.974 558 R HN 0.492 nan 8.270 nan 0.000 0.439 559 I N 0.479 121.035 120.570 -0.023 0.000 3.680 559 I HA -0.010 4.159 4.170 -0.002 0.000 0.306 559 I C 1.063 177.146 176.117 -0.057 0.000 1.260 559 I CA 0.209 61.479 61.300 -0.050 0.000 1.201 559 I CB -0.692 37.259 38.000 -0.082 0.000 1.009 559 I HN 0.480 nan 8.210 nan 0.000 0.467 560 N N 1.100 119.796 118.700 -0.006 0.000 2.216 560 N HA -0.186 4.553 4.740 -0.002 0.000 0.183 560 N C 1.467 177.006 175.510 0.047 0.000 1.017 560 N CA 1.419 54.483 53.050 0.022 0.000 0.861 560 N CB -0.455 38.073 38.487 0.068 0.000 0.986 560 N HN 0.394 nan 8.380 nan 0.000 0.428 561 M N -0.889 118.743 119.600 0.053 0.000 2.495 561 M HA 0.355 4.834 4.480 -0.002 0.000 0.237 561 M C 0.513 176.845 176.300 0.055 0.000 1.131 561 M CA 0.463 55.809 55.300 0.076 0.000 1.032 561 M CB -0.023 32.614 32.600 0.062 0.000 1.513 561 M HN 0.156 nan 8.290 nan 0.000 0.488 562 I N -0.793 119.787 120.570 0.017 0.000 2.556 562 I HA -0.027 4.142 4.170 -0.002 0.000 0.251 562 I C 1.687 177.814 176.117 0.016 0.000 1.105 562 I CA 0.875 62.180 61.300 0.008 0.000 1.436 562 I CB -0.432 37.554 38.000 -0.024 0.000 1.139 562 I HN 0.160 nan 8.210 nan 0.000 0.438 563 M N -0.213 119.359 119.600 -0.047 0.000 2.374 563 M HA -0.117 4.362 4.480 -0.002 0.000 0.264 563 M C 2.185 178.580 176.300 0.158 0.000 1.067 563 M CA 1.272 56.539 55.300 -0.056 0.000 1.103 563 M CB -1.310 30.948 32.600 -0.569 0.000 1.402 563 M HN 0.254 nan 8.290 nan 0.000 0.444 564 Q N 0.439 120.335 119.800 0.160 0.000 2.123 564 Q HA -0.063 4.276 4.340 -0.002 0.000 0.199 564 Q C 1.736 177.955 176.000 0.365 0.000 0.966 564 Q CA 1.984 57.950 55.803 0.272 0.000 0.845 564 Q CB -0.305 28.582 28.738 0.248 0.000 0.907 564 Q HN 0.446 nan 8.270 nan 0.000 0.439 565 T N 0.234 114.934 114.554 0.245 0.000 2.867 565 T HA -0.018 4.332 4.350 -0.002 0.000 0.268 565 T C 1.661 176.442 174.700 0.136 0.000 1.057 565 T CA 0.964 63.184 62.100 0.200 0.000 1.136 565 T CB -0.417 68.509 68.868 0.096 0.000 0.874 565 T HN 0.454 nan 8.240 nan 0.000 0.466 566 A N 1.385 124.287 122.820 0.137 0.000 1.877 566 A HA -0.028 4.291 4.320 -0.002 0.000 0.216 566 A C 1.935 179.553 177.584 0.055 0.000 1.186 566 A CA 1.304 53.397 52.037 0.092 0.000 0.620 566 A CB -0.996 18.105 19.000 0.167 0.000 0.822 566 A HN 0.450 nan 8.150 nan 0.000 0.443 567 F N 0.091 120.042 119.950 0.000 0.000 2.011 567 F HA -0.230 4.296 4.527 -0.002 0.000 0.296 567 F C 1.887 177.438 175.800 -0.414 0.000 1.144 567 F CA 1.988 59.824 58.000 -0.273 0.000 1.185 567 F CB -0.894 38.014 39.000 -0.154 0.000 0.961 567 F HN 0.205 nan 8.300 nan 0.000 0.485 568 F N 0.689 120.439 119.950 -0.332 0.000 2.346 568 F HA -0.177 4.349 4.527 -0.002 0.000 0.301 568 F C 2.447 177.934 175.800 -0.522 0.000 1.070 568 F CA 1.859 59.575 58.000 -0.472 0.000 1.407 568 F CB -0.705 38.182 39.000 -0.189 0.000 1.072 568 F HN 0.105 nan 8.300 nan 0.000 0.543 569 K N -0.574 119.615 120.400 -0.353 0.000 2.313 569 K HA 0.049 4.368 4.320 -0.002 0.000 0.197 569 K C 1.327 177.620 176.600 -0.513 0.000 1.061 569 K CA 0.574 56.529 56.287 -0.553 0.000 0.980 569 K CB 0.195 32.373 32.500 -0.535 0.000 0.888 569 K HN 0.171 nan 8.250 nan 0.000 0.502 570 L N 0.040 120.978 121.223 -0.475 0.000 2.642 570 L HA 0.322 4.661 4.340 -0.002 0.000 0.233 570 L C 1.930 178.522 176.870 -0.465 0.000 1.077 570 L CA 0.631 55.217 54.840 -0.423 0.000 0.879 570 L CB 0.223 42.029 42.059 -0.421 0.000 1.151 570 L HN 0.066 nan 8.230 nan 0.000 0.495 571 A N 0.251 122.570 122.820 -0.835 0.000 2.019 571 A HA 0.183 4.502 4.320 -0.002 0.000 0.219 571 A C 1.786 179.071 177.584 -0.498 0.000 1.164 571 A CA 1.064 52.547 52.037 -0.924 0.000 0.644 571 A CB -0.991 17.120 19.000 -1.480 0.000 0.805 571 A HN 0.535 nan 8.150 nan 0.000 0.449 572 G N -1.215 107.317 108.800 -0.446 0.000 2.298 572 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.287 572 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.287 572 G C 0.771 175.524 174.900 -0.244 0.000 1.075 572 G CA 0.974 45.917 45.100 -0.262 0.000 0.960 572 G HN 1.638 nan 8.290 nan 0.000 0.502 573 V N -3.572 116.122 119.914 -0.367 0.000 3.212 573 V HA 0.653 4.772 4.120 -0.002 0.000 0.244 573 V C 1.084 177.058 176.094 -0.200 0.000 1.151 573 V CA 0.727 62.841 62.300 -0.310 0.000 1.119 573 V CB 0.151 31.628 31.823 -0.577 0.000 0.838 573 V HN 0.396 nan 8.190 nan 0.000 0.470 574 L N 1.822 122.925 121.223 -0.201 0.000 2.354 574 L HA 0.596 4.935 4.340 -0.002 0.000 0.264 574 L C -2.575 174.252 176.870 -0.071 0.000 1.008 574 L CA -2.039 52.743 54.840 -0.097 0.000 0.819 574 L CB 2.464 44.493 42.059 -0.051 0.000 1.339 574 L HN 0.006 nan 8.230 nan 0.000 0.420 575 P HA -0.043 nan 4.420 nan 0.000 0.267 575 P C 0.735 178.081 177.300 0.077 0.000 1.205 575 P CA -0.100 63.018 63.100 0.029 0.000 0.765 575 P CB 0.658 32.378 31.700 0.032 0.000 0.828 576 F N 3.581 123.503 119.950 -0.047 0.000 2.063 576 F HA -0.334 4.193 4.527 -0.002 0.000 0.296 576 F C 1.997 177.772 175.800 -0.041 0.000 1.093 576 F CA 2.156 60.130 58.000 -0.043 0.000 1.229 576 F CB -0.438 38.543 39.000 -0.032 0.000 0.971 576 F HN 0.330 nan 8.300 nan 0.000 0.491 577 E N 0.355 120.725 120.200 0.284 0.000 1.997 577 E HA -0.296 4.053 4.350 -0.002 0.000 0.201 577 E C 2.230 178.875 176.600 0.075 0.000 1.011 577 E CA 1.680 58.167 56.400 0.145 0.000 0.847 577 E CB -1.091 28.643 29.700 0.058 0.000 0.787 577 E HN 0.448 nan 8.360 nan 0.000 0.472 578 K N 0.937 121.357 120.400 0.033 0.000 2.113 578 K HA -0.165 4.154 4.320 -0.002 0.000 0.208 578 K C 2.097 178.671 176.600 -0.042 0.000 1.047 578 K CA 1.345 57.627 56.287 -0.009 0.000 0.928 578 K CB -0.133 32.362 32.500 -0.008 0.000 0.716 578 K HN 0.130 nan 8.250 nan 0.000 0.446 579 A N 0.687 123.489 122.820 -0.030 0.000 1.841 579 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 579 A C 2.236 179.719 177.584 -0.169 0.000 1.199 579 A CA 2.069 54.068 52.037 -0.064 0.000 0.621 579 A CB -0.876 18.082 19.000 -0.070 0.000 0.835 579 A HN 0.175 nan 8.150 nan 0.000 0.445 580 V N 0.629 120.476 119.914 -0.111 0.000 2.626 580 V HA -0.182 3.937 4.120 -0.002 0.000 0.252 580 V C 2.333 178.349 176.094 -0.130 0.000 1.067 580 V CA 2.182 64.409 62.300 -0.121 0.000 1.081 580 V CB -0.795 31.025 31.823 -0.005 0.000 0.686 580 V HN 0.675 nan 8.190 nan 0.000 0.468 581 D N 0.504 120.851 120.400 -0.087 0.000 2.084 581 D HA -0.153 4.486 4.640 -0.002 0.000 0.196 581 D C 1.962 178.175 176.300 -0.145 0.000 0.985 581 D CA 1.179 55.126 54.000 -0.090 0.000 0.826 581 D CB -0.211 40.559 40.800 -0.049 0.000 0.978 581 D HN 0.298 nan 8.370 nan 0.000 0.456 582 L N 0.637 121.762 121.223 -0.164 0.000 2.349 582 L HA -0.026 4.314 4.340 -0.002 0.000 0.220 582 L C 2.152 178.857 176.870 -0.275 0.000 1.130 582 L CA 1.047 55.777 54.840 -0.184 0.000 0.791 582 L CB -0.526 41.440 42.059 -0.156 0.000 0.918 582 L HN 0.200 nan 8.230 nan 0.000 0.444 583 L N -0.935 120.055 121.223 -0.389 0.000 2.023 583 L HA -0.183 4.156 4.340 -0.002 0.000 0.205 583 L C 2.462 179.183 176.870 -0.249 0.000 1.073 583 L CA 1.223 55.790 54.840 -0.456 0.000 0.745 583 L CB -0.275 41.443 42.059 -0.569 0.000 0.900 583 L HN 0.197 nan 8.230 nan 0.000 0.435 584 K N -0.021 120.252 120.400 -0.212 0.000 2.218 584 K HA -0.235 4.084 4.320 -0.002 0.000 0.205 584 K C 1.954 178.379 176.600 -0.292 0.000 1.046 584 K CA 1.484 57.646 56.287 -0.209 0.000 0.933 584 K CB -0.068 32.321 32.500 -0.186 0.000 0.728 584 K HN 0.388 nan 8.250 nan 0.000 0.454 585 K N 0.315 120.576 120.400 -0.231 0.000 2.217 585 K HA -0.074 4.245 4.320 -0.002 0.000 0.202 585 K C 2.307 178.836 176.600 -0.118 0.000 1.051 585 K CA 1.498 57.666 56.287 -0.197 0.000 0.952 585 K CB 0.040 32.465 32.500 -0.124 0.000 0.736 585 K HN 0.170 nan 8.250 nan 0.000 0.453 586 S N 0.908 116.549 115.700 -0.098 0.000 2.446 586 S HA -0.016 4.453 4.470 -0.002 0.000 0.225 586 S C 1.970 176.593 174.600 0.038 0.000 1.016 586 S CA 0.285 58.469 58.200 -0.025 0.000 0.943 586 S CB -0.195 62.987 63.200 -0.030 0.000 0.786 586 S HN 0.044 nan 8.310 nan 0.000 0.508 587 I N 2.651 123.234 120.570 0.021 0.000 2.248 587 I HA -0.201 3.968 4.170 -0.002 0.000 0.248 587 I C 2.390 178.663 176.117 0.261 0.000 1.107 587 I CA 1.653 63.038 61.300 0.140 0.000 1.373 587 I CB -1.700 36.334 38.000 0.057 0.000 1.055 587 I HN 0.516 nan 8.210 nan 0.000 0.418 588 H N 0.121 119.224 119.070 0.055 0.000 2.403 588 H HA -0.092 4.463 4.556 -0.002 0.000 0.298 588 H C 2.313 177.666 175.328 0.042 0.000 1.059 588 H CA 0.734 56.809 56.048 0.045 0.000 1.363 588 H CB 0.356 30.129 29.762 0.017 0.000 1.410 588 H HN 0.233 nan 8.280 nan 0.000 0.528 589 K N 1.521 122.013 120.400 0.154 0.000 1.971 589 K HA -0.132 4.187 4.320 -0.002 0.000 0.221 589 K C 1.340 177.971 176.600 0.052 0.000 1.050 589 K CA 1.116 57.448 56.287 0.074 0.000 0.967 589 K CB -0.191 32.330 32.500 0.036 0.000 0.733 589 K HN 0.154 nan 8.250 nan 0.000 0.445 590 A N -0.406 122.432 122.820 0.031 0.000 2.311 590 A HA 0.209 4.528 4.320 -0.002 0.000 0.272 590 A C 0.027 177.636 177.584 0.041 0.000 1.438 590 A CA 0.275 52.277 52.037 -0.058 0.000 0.819 590 A CB -0.532 18.340 19.000 -0.213 0.000 1.336 590 A HN 0.488 nan 8.150 nan 0.000 0.528 591 Y N -1.981 118.331 120.300 0.020 0.000 2.682 591 Y HA -0.276 4.273 4.550 -0.002 0.000 0.431 591 Y C 2.041 177.945 175.900 0.006 0.000 1.103 591 Y CA 1.833 59.942 58.100 0.015 0.000 2.395 591 Y CB -1.651 36.824 38.460 0.025 0.000 1.128 591 Y HN 2.120 nan 8.280 nan 0.000 0.663 592 G N -0.292 108.642 108.800 0.223 0.000 2.175 592 G HA2 -0.425 3.534 3.960 -0.002 0.000 0.265 592 G HA3 -0.425 3.534 3.960 -0.002 0.000 0.265 592 G C 0.974 175.907 174.900 0.055 0.000 0.979 592 G CA 1.355 46.505 45.100 0.083 0.000 0.663 592 G HN 0.968 nan 8.290 nan 0.000 0.533 593 K N -0.297 120.155 120.400 0.087 0.000 2.280 593 K HA 0.026 4.345 4.320 -0.002 0.000 0.202 593 K C 0.757 177.374 176.600 0.029 0.000 1.047 593 K CA 1.304 57.623 56.287 0.053 0.000 0.942 593 K CB 0.088 32.631 32.500 0.072 0.000 0.739 593 K HN 0.305 nan 8.250 nan 0.000 0.457 594 K N 1.275 121.691 120.400 0.026 0.000 2.723 594 K HA 0.222 4.541 4.320 -0.002 0.000 0.229 594 K C -0.357 176.237 176.600 -0.010 0.000 1.022 594 K CA -0.212 56.077 56.287 0.005 0.000 1.045 594 K CB 1.703 34.206 32.500 0.005 0.000 1.227 594 K HN 0.340 nan 8.250 nan 0.000 0.516 595 G N 2.021 110.810 108.800 -0.018 0.000 2.625 595 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.311 595 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.311 595 G C 0.414 175.289 174.900 -0.042 0.000 1.324 595 G CA -0.145 44.937 45.100 -0.031 0.000 0.918 595 G HN 0.622 nan 8.290 nan 0.000 0.556 596 E N -0.082 120.088 120.200 -0.050 0.000 2.489 596 E HA 0.016 4.365 4.350 -0.002 0.000 0.193 596 E C 2.196 178.773 176.600 -0.038 0.000 1.057 596 E CA 0.602 56.968 56.400 -0.057 0.000 0.866 596 E CB 0.211 29.874 29.700 -0.062 0.000 0.916 596 E HN 0.611 nan 8.360 nan 0.000 0.500 597 K N 1.167 121.546 120.400 -0.035 0.000 1.985 597 K HA -0.064 4.255 4.320 -0.002 0.000 0.210 597 K C 2.027 178.600 176.600 -0.046 0.000 1.047 597 K CA 0.984 57.252 56.287 -0.033 0.000 0.932 597 K CB -0.033 32.450 32.500 -0.028 0.000 0.716 597 K HN 0.031 nan 8.250 nan 0.000 0.439 598 I N 1.047 121.584 120.570 -0.055 0.000 2.394 598 I HA -0.212 3.957 4.170 -0.002 0.000 0.251 598 I C 2.061 178.102 176.117 -0.128 0.000 1.136 598 I CA 0.642 61.886 61.300 -0.095 0.000 1.425 598 I CB 0.024 37.970 38.000 -0.090 0.000 1.079 598 I HN 0.033 nan 8.210 nan 0.000 0.425 599 V N 0.895 120.766 119.914 -0.072 0.000 2.667 599 V HA -0.217 3.903 4.120 -0.002 0.000 0.252 599 V C 2.427 178.515 176.094 -0.010 0.000 1.065 599 V CA 1.527 63.809 62.300 -0.029 0.000 1.083 599 V CB -0.569 31.261 31.823 0.012 0.000 0.692 599 V HN 0.335 nan 8.190 nan 0.000 0.468 600 K N 0.681 121.068 120.400 -0.021 0.000 2.103 600 K HA -0.009 4.310 4.320 -0.002 0.000 0.204 600 K C 1.952 178.535 176.600 -0.029 0.000 1.052 600 K CA 1.549 57.830 56.287 -0.010 0.000 0.945 600 K CB -0.351 32.142 32.500 -0.012 0.000 0.722 600 K HN 0.407 nan 8.250 nan 0.000 0.443 601 M N 0.080 119.647 119.600 -0.055 0.000 2.296 601 M HA -0.067 4.412 4.480 -0.002 0.000 0.265 601 M C 0.873 177.127 176.300 -0.076 0.000 1.064 601 M CA 1.443 56.704 55.300 -0.064 0.000 1.109 601 M CB -0.259 32.294 32.600 -0.079 0.000 1.396 601 M HN 0.099 nan 8.290 nan 0.000 0.430 602 N N -0.600 118.038 118.700 -0.103 0.000 2.373 602 N HA -0.000 4.739 4.740 -0.002 0.000 0.181 602 N C 1.336 176.822 175.510 -0.039 0.000 1.082 602 N CA 0.802 53.792 53.050 -0.100 0.000 0.885 602 N CB 0.140 38.510 38.487 -0.195 0.000 0.977 602 N HN 0.183 nan 8.380 nan 0.000 0.462 603 T N -0.039 114.501 114.554 -0.023 0.000 2.939 603 T HA -0.006 4.343 4.350 -0.002 0.000 0.254 603 T C 0.881 175.576 174.700 -0.008 0.000 1.041 603 T CA 0.728 62.822 62.100 -0.009 0.000 1.142 603 T CB -0.098 68.777 68.868 0.012 0.000 0.874 603 T HN 0.105 nan 8.240 nan 0.000 0.452 604 D N 2.006 122.400 120.400 -0.010 0.000 2.144 604 D HA -0.011 4.629 4.640 -0.002 0.000 0.199 604 D C 2.276 178.572 176.300 -0.006 0.000 0.984 604 D CA 1.151 55.146 54.000 -0.007 0.000 0.834 604 D CB -0.465 40.328 40.800 -0.012 0.000 0.955 604 D HN 0.392 nan 8.370 nan 0.000 0.465 605 A N 0.643 123.456 122.820 -0.013 0.000 1.877 605 A HA -0.143 4.176 4.320 -0.002 0.000 0.216 605 A C 2.527 180.114 177.584 0.004 0.000 1.186 605 A CA 1.288 53.320 52.037 -0.008 0.000 0.620 605 A CB -0.815 18.175 19.000 -0.017 0.000 0.822 605 A HN 0.140 nan 8.150 nan 0.000 0.443 606 V N 0.682 120.600 119.914 0.006 0.000 2.255 606 V HA -0.295 3.824 4.120 -0.002 0.000 0.247 606 V C 2.296 178.403 176.094 0.021 0.000 1.051 606 V CA 2.476 64.784 62.300 0.014 0.000 1.018 606 V CB -0.879 30.944 31.823 -0.000 0.000 0.641 606 V HN 0.515 nan 8.190 nan 0.000 0.445 607 D N -0.579 119.832 120.400 0.018 0.000 2.077 607 D HA -0.216 4.423 4.640 -0.002 0.000 0.193 607 D C 2.194 178.513 176.300 0.032 0.000 0.989 607 D CA 1.681 55.698 54.000 0.029 0.000 0.831 607 D CB -0.482 40.330 40.800 0.019 0.000 0.979 607 D HN 0.503 nan 8.370 nan 0.000 0.449 608 Q N 0.028 119.840 119.800 0.020 0.000 2.308 608 Q HA -0.174 4.165 4.340 -0.002 0.000 0.209 608 Q C 1.729 177.743 176.000 0.024 0.000 0.985 608 Q CA 1.487 57.301 55.803 0.018 0.000 0.881 608 Q CB 0.017 28.759 28.738 0.008 0.000 0.917 608 Q HN 0.247 nan 8.270 nan 0.000 0.443 609 A N -0.607 122.228 122.820 0.026 0.000 1.878 609 A HA -0.051 4.268 4.320 -0.002 0.000 0.213 609 A C 2.086 179.699 177.584 0.047 0.000 1.192 609 A CA 0.965 53.019 52.037 0.029 0.000 0.619 609 A CB -0.507 18.508 19.000 0.024 0.000 0.837 609 A HN 0.261 nan 8.150 nan 0.000 0.446 610 V N 0.442 120.390 119.914 0.057 0.000 2.546 610 V HA -0.239 3.880 4.120 -0.002 0.000 0.254 610 V C 2.579 178.745 176.094 0.119 0.000 1.076 610 V CA 2.411 64.766 62.300 0.092 0.000 1.087 610 V CB -1.274 30.628 31.823 0.132 0.000 0.674 610 V HN 0.608 nan 8.190 nan 0.000 0.470 611 T N -0.666 113.938 114.554 0.083 0.000 2.809 611 T HA -0.097 4.252 4.350 -0.002 0.000 0.260 611 T C 2.100 176.839 174.700 0.065 0.000 1.039 611 T CA 1.581 63.723 62.100 0.070 0.000 1.141 611 T CB -0.147 68.748 68.868 0.044 0.000 0.869 611 T HN 0.526 nan 8.240 nan 0.000 0.437 612 S N 1.283 117.015 115.700 0.054 0.000 2.423 612 S HA 0.061 4.530 4.470 -0.002 0.000 0.231 612 S C 0.690 175.334 174.600 0.074 0.000 1.014 612 S CA 0.347 58.575 58.200 0.047 0.000 0.965 612 S CB -0.312 62.904 63.200 0.027 0.000 0.785 612 S HN 0.186 nan 8.310 nan 0.000 0.495 613 L N 3.478 124.764 121.223 0.105 0.000 2.449 613 L HA 0.143 4.482 4.340 -0.002 0.000 0.266 613 L C -0.015 177.027 176.870 0.287 0.000 1.321 613 L CA 0.735 55.687 54.840 0.187 0.000 1.194 613 L CB -0.946 41.186 42.059 0.123 0.000 1.384 613 L HN 0.156 nan 8.230 nan 0.000 0.438 614 Q N 1.251 121.159 119.800 0.179 0.000 2.340 614 Q HA 0.259 4.598 4.340 -0.002 0.000 0.268 614 Q C -0.189 175.664 176.000 -0.244 0.000 1.031 614 Q CA -0.628 55.195 55.803 0.034 0.000 0.804 614 Q CB 1.957 30.692 28.738 -0.005 0.000 1.286 614 Q HN 0.412 nan 8.270 nan 0.000 0.448 615 E N 2.210 122.033 120.200 -0.629 0.000 2.529 615 E HA -0.088 4.261 4.350 -0.002 0.000 0.259 615 E C -1.025 175.351 176.600 -0.374 0.000 0.966 615 E CA 0.029 55.905 56.400 -0.873 0.000 0.937 615 E CB 0.371 29.639 29.700 -0.721 0.000 0.923 615 E HN 0.392 nan 8.360 nan 0.000 0.468 616 F N 5.766 125.450 119.950 -0.443 0.000 2.468 616 F HA 0.114 4.640 4.527 -0.002 0.000 0.356 616 F C 0.076 175.766 175.800 -0.182 0.000 1.167 616 F CA -0.640 57.206 58.000 -0.257 0.000 1.135 616 F CB 0.328 39.139 39.000 -0.314 0.000 1.197 616 F HN 0.267 nan 8.300 nan 0.000 0.569 617 K N 7.987 128.098 120.400 -0.482 0.000 2.021 617 K HA -0.058 4.261 4.320 -0.002 0.000 0.238 617 K C -0.662 175.585 176.600 -0.588 0.000 1.149 617 K CA 0.068 56.041 56.287 -0.523 0.000 1.105 617 K CB -1.132 31.119 32.500 -0.415 0.000 1.246 617 K HN 0.576 nan 8.250 nan 0.000 0.307 618 Y N 0.851 120.934 120.300 -0.361 0.000 2.336 618 Y HA 0.368 4.917 4.550 -0.002 0.000 0.331 618 Y C -1.835 173.726 175.900 -0.565 0.000 1.211 618 Y CA -3.045 54.696 58.100 -0.599 0.000 1.346 618 Y CB -0.665 37.149 38.460 -1.076 0.000 1.271 618 Y HN 0.294 nan 8.280 nan 0.000 0.538 619 P HA 0.029 nan 4.420 nan 0.000 0.274 619 P C -0.475 176.777 177.300 -0.079 0.000 1.237 619 P CA -0.125 62.852 63.100 -0.205 0.000 0.793 619 P CB 1.229 32.883 31.700 -0.077 0.000 0.977 620 D N -0.099 120.302 120.400 0.002 0.000 2.363 620 D HA -0.101 4.538 4.640 -0.002 0.000 0.226 620 D C 1.598 177.983 176.300 0.141 0.000 1.020 620 D CA 0.797 54.849 54.000 0.086 0.000 0.892 620 D CB -0.099 40.728 40.800 0.046 0.000 0.900 620 D HN 0.276 nan 8.370 nan 0.000 0.531 621 S N -1.091 114.703 115.700 0.157 0.000 2.481 621 S HA -0.115 4.354 4.470 -0.002 0.000 0.231 621 S C 1.646 176.442 174.600 0.327 0.000 0.996 621 S CA -0.045 58.279 58.200 0.207 0.000 0.942 621 S CB -0.634 62.684 63.200 0.196 0.000 0.768 621 S HN 0.303 nan 8.310 nan 0.000 0.520 622 W N 2.611 123.963 121.300 0.086 0.000 2.363 622 W HA 0.154 4.813 4.660 -0.002 0.000 0.296 622 W C 2.129 178.657 176.519 0.016 0.000 1.212 622 W CA 0.022 57.393 57.345 0.044 0.000 1.260 622 W CB -0.702 28.775 29.460 0.029 0.000 1.131 622 W HN 0.333 nan 8.180 nan 0.000 0.530 623 K N -0.101 120.458 120.400 0.265 0.000 2.374 623 K HA -0.208 4.111 4.320 -0.002 0.000 0.202 623 K C -0.260 176.395 176.600 0.091 0.000 1.044 623 K CA 1.704 58.080 56.287 0.149 0.000 0.933 623 K CB -0.538 32.036 32.500 0.125 0.000 0.745 623 K HN 0.309 nan 8.250 nan 0.000 0.474 624 D N -1.656 118.797 120.400 0.089 0.000 2.968 624 D HA 0.245 4.884 4.640 -0.002 0.000 0.301 624 D C -0.921 175.396 176.300 0.028 0.000 1.226 624 D CA -0.455 53.572 54.000 0.045 0.000 0.746 624 D CB 0.472 41.297 40.800 0.042 0.000 1.278 624 D HN 0.043 nan 8.370 nan 0.000 0.544 625 A N 1.799 124.618 122.820 -0.002 0.000 2.340 625 A HA 0.639 4.958 4.320 -0.002 0.000 0.268 625 A C -2.026 175.524 177.584 -0.056 0.000 1.100 625 A CA -1.229 50.782 52.037 -0.044 0.000 0.803 625 A CB 0.220 19.137 19.000 -0.138 0.000 1.043 625 A HN 0.335 nan 8.150 nan 0.000 0.488 626 P HA 0.298 nan 4.420 nan 0.000 0.271 626 P C -0.288 176.969 177.300 -0.071 0.000 1.233 626 P CA 0.199 63.268 63.100 -0.050 0.000 0.764 626 P CB 0.872 32.548 31.700 -0.040 0.000 0.825 627 A N 3.940 126.721 122.820 -0.065 0.000 2.409 627 A HA 0.224 4.543 4.320 -0.002 0.000 0.262 627 A C 0.911 178.455 177.584 -0.067 0.000 1.113 627 A CA -0.531 51.461 52.037 -0.074 0.000 0.790 627 A CB -0.179 18.783 19.000 -0.063 0.000 1.046 627 A HN 0.690 nan 8.150 nan 0.000 0.496 628 E N 1.550 121.704 120.200 -0.076 0.000 2.569 628 E HA 0.303 4.652 4.350 -0.002 0.000 0.258 628 E C 0.154 176.721 176.600 -0.054 0.000 1.390 628 E CA 0.159 56.519 56.400 -0.068 0.000 1.049 628 E CB 0.064 29.718 29.700 -0.077 0.000 1.009 628 E HN 0.614 nan 8.360 nan 0.000 0.580 629 T N -1.698 112.828 114.554 -0.048 0.000 2.918 629 T HA 0.448 4.797 4.350 -0.002 0.000 0.286 629 T C -0.420 174.259 174.700 -0.036 0.000 1.026 629 T CA -1.211 60.866 62.100 -0.038 0.000 1.031 629 T CB 1.306 70.155 68.868 -0.032 0.000 1.046 629 T HN 0.569 nan 8.240 nan 0.000 0.479 630 K N 0.395 120.777 120.400 -0.031 0.000 2.258 630 K HA 0.635 4.954 4.320 -0.002 0.000 0.264 630 K C -0.078 176.510 176.600 -0.021 0.000 1.007 630 K CA -0.276 55.995 56.287 -0.026 0.000 0.941 630 K CB 0.574 33.059 32.500 -0.024 0.000 0.966 630 K HN 0.929 nan 8.250 nan 0.000 0.480 631 A N 1.484 124.295 122.820 -0.015 0.000 3.066 631 A HA 0.170 4.489 4.320 -0.002 0.000 0.194 631 A C -1.249 176.335 177.584 0.000 0.000 0.972 631 A CA -0.724 51.307 52.037 -0.009 0.000 1.183 631 A CB -0.755 18.237 19.000 -0.014 0.000 1.269 631 A HN 0.781 nan 8.150 nan 0.000 0.567 632 E N 0.666 120.870 120.200 0.006 0.000 2.324 632 E HA 0.530 4.879 4.350 -0.002 0.000 0.271 632 E C -2.170 174.446 176.600 0.025 0.000 1.028 632 E CA -1.051 55.362 56.400 0.022 0.000 0.890 632 E CB -0.242 29.476 29.700 0.029 0.000 1.004 632 E HN 0.311 nan 8.360 nan 0.000 0.431 633 P HA -0.020 nan 4.420 nan 0.000 0.286 633 P C -0.320 177.009 177.300 0.049 0.000 1.278 633 P CA -0.546 62.578 63.100 0.039 0.000 0.785 633 P CB 0.271 31.998 31.700 0.044 0.000 1.269 634 M N -0.062 119.582 119.600 0.073 0.000 2.250 634 M HA 0.314 4.793 4.480 -0.002 0.000 0.325 634 M C 0.040 176.402 176.300 0.104 0.000 1.084 634 M CA 1.254 56.612 55.300 0.096 0.000 1.161 634 M CB -0.468 32.210 32.600 0.130 0.000 1.481 634 M HN 0.414 nan 8.290 nan 0.000 0.449 635 T N 2.866 117.389 114.554 -0.052 0.000 2.774 635 T HA 0.436 4.785 4.350 -0.002 0.000 0.325 635 T C -1.117 173.395 174.700 -0.312 0.000 1.753 635 T CA -0.946 60.863 62.100 -0.485 0.000 1.024 635 T CB 0.507 69.147 68.868 -0.380 0.000 1.628 635 T HN 0.817 nan 8.240 nan 0.000 0.497 636 N N 1.552 120.006 118.700 -0.409 0.000 2.418 636 N HA 0.318 5.057 4.740 -0.002 0.000 0.283 636 N C 0.954 176.442 175.510 -0.038 0.000 1.267 636 N CA -0.554 52.424 53.050 -0.120 0.000 0.975 636 N CB 0.416 38.886 38.487 -0.028 0.000 1.167 636 N HN 0.758 nan 8.380 nan 0.000 0.581 637 E N -0.102 120.110 120.200 0.019 0.000 2.465 637 E HA -0.035 4.314 4.350 -0.002 0.000 0.191 637 E C 0.318 176.949 176.600 0.051 0.000 1.053 637 E CA 0.379 56.788 56.400 0.015 0.000 0.869 637 E CB -0.271 29.435 29.700 0.010 0.000 0.977 637 E HN 0.597 nan 8.360 nan 0.000 0.483 638 F N -0.148 119.762 119.950 -0.067 0.000 2.500 638 F HA 0.236 4.762 4.527 -0.002 0.000 0.285 638 F C 1.622 177.393 175.800 -0.049 0.000 1.088 638 F CA -0.181 57.775 58.000 -0.073 0.000 1.432 638 F CB -0.055 38.914 39.000 -0.051 0.000 1.131 638 F HN 0.001 nan 8.300 nan 0.000 0.582 639 F N 1.174 121.045 119.950 -0.130 0.000 2.367 639 F HA 0.019 4.545 4.527 -0.002 0.000 0.298 639 F C 2.263 177.928 175.800 -0.224 0.000 1.094 639 F CA 1.495 59.370 58.000 -0.208 0.000 1.409 639 F CB -0.250 38.545 39.000 -0.342 0.000 1.064 639 F HN -0.087 nan 8.300 nan 0.000 0.528 640 K N -0.321 120.050 120.400 -0.048 0.000 2.166 640 K HA -0.034 4.285 4.320 -0.002 0.000 0.201 640 K C 1.410 177.915 176.600 -0.159 0.000 1.052 640 K CA 1.127 57.369 56.287 -0.075 0.000 0.969 640 K CB -0.015 32.468 32.500 -0.027 0.000 0.761 640 K HN 0.166 nan 8.250 nan 0.000 0.459 641 N N -0.162 118.426 118.700 -0.188 0.000 2.356 641 N HA 0.002 4.741 4.740 -0.002 0.000 0.178 641 N C 1.188 176.508 175.510 -0.317 0.000 1.075 641 N CA 0.508 53.434 53.050 -0.206 0.000 0.889 641 N CB 1.136 39.534 38.487 -0.148 0.000 0.999 641 N HN 0.016 nan 8.380 nan 0.000 0.464 642 V N 0.026 119.642 119.914 -0.496 0.000 3.264 642 V HA 0.001 4.120 4.120 -0.002 0.000 0.217 642 V C 2.248 178.023 176.094 -0.532 0.000 1.236 642 V CA 0.535 62.453 62.300 -0.637 0.000 1.287 642 V CB -0.411 30.712 31.823 -1.166 0.000 1.241 642 V HN 0.034 nan 8.190 nan 0.000 0.518 643 V N 0.060 119.580 119.914 -0.656 0.000 2.343 643 V HA -0.218 3.901 4.120 -0.002 0.000 0.247 643 V C 2.214 178.010 176.094 -0.497 0.000 1.051 643 V CA 2.772 64.794 62.300 -0.464 0.000 1.036 643 V CB -0.702 30.870 31.823 -0.418 0.000 0.654 643 V HN 0.552 nan 8.190 nan 0.000 0.451 644 K N 0.830 120.827 120.400 -0.672 0.000 2.025 644 K HA -0.057 4.262 4.320 -0.002 0.000 0.207 644 K C 0.133 176.561 176.600 -0.286 0.000 1.049 644 K CA 1.771 57.743 56.287 -0.524 0.000 0.933 644 K CB -1.166 31.058 32.500 -0.460 0.000 0.714 644 K HN 0.463 nan 8.250 nan 0.000 0.438 645 P HA -0.150 nan 4.420 nan 0.000 0.219 645 P C 0.945 178.182 177.300 -0.105 0.000 1.146 645 P CA 1.233 64.242 63.100 -0.152 0.000 0.808 645 P CB 0.072 31.685 31.700 -0.146 0.000 0.779 646 I N -1.680 118.821 120.570 -0.115 0.000 2.296 646 I HA -0.144 4.025 4.170 -0.002 0.000 0.242 646 I C 2.163 178.261 176.117 -0.033 0.000 1.087 646 I CA 0.986 62.264 61.300 -0.038 0.000 1.393 646 I CB -0.659 37.340 38.000 -0.000 0.000 1.093 646 I HN -0.152 nan 8.210 nan 0.000 0.421 647 L N 0.631 121.804 121.223 -0.084 0.000 2.187 647 L HA -0.168 4.171 4.340 -0.002 0.000 0.213 647 L C 1.894 178.740 176.870 -0.040 0.000 1.100 647 L CA 1.560 56.373 54.840 -0.045 0.000 0.765 647 L CB -0.965 41.036 42.059 -0.096 0.000 0.904 647 L HN 0.441 nan 8.230 nan 0.000 0.437 648 T N -3.837 110.653 114.554 -0.106 0.000 3.287 648 T HA 0.115 4.464 4.350 -0.002 0.000 0.253 648 T C 0.542 175.243 174.700 0.001 0.000 0.975 648 T CA -0.487 61.513 62.100 -0.167 0.000 0.912 648 T CB 0.263 68.996 68.868 -0.226 0.000 1.071 648 T HN 0.228 nan 8.240 nan 0.000 0.578 649 Q N 0.609 120.461 119.800 0.086 0.000 2.457 649 Q HA -0.179 4.160 4.340 -0.002 0.000 0.283 649 Q C 0.048 176.092 176.000 0.073 0.000 1.234 649 Q CA 0.792 56.664 55.803 0.115 0.000 0.877 649 Q CB -1.923 26.950 28.738 0.225 0.000 1.250 649 Q HN 0.685 nan 8.270 nan 0.000 0.481 650 Q N -2.064 117.754 119.800 0.029 0.000 2.112 650 Q HA 0.237 4.576 4.340 -0.002 0.000 0.222 650 Q C 1.530 177.541 176.000 0.018 0.000 0.798 650 Q CA 0.668 56.482 55.803 0.018 0.000 1.060 650 Q CB 0.876 29.607 28.738 -0.012 0.000 1.184 650 Q HN 0.418 nan 8.270 nan 0.000 0.475 651 G N 1.166 109.987 108.800 0.034 0.000 2.422 651 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.218 651 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.218 651 G C 1.063 176.016 174.900 0.089 0.000 1.140 651 G CA 0.506 45.648 45.100 0.071 0.000 0.775 651 G HN 0.247 nan 8.290 nan 0.000 0.545 652 D N 0.762 121.195 120.400 0.055 0.000 2.221 652 D HA -0.072 4.567 4.640 -0.002 0.000 0.204 652 D C 2.013 178.348 176.300 0.057 0.000 0.982 652 D CA 0.834 54.863 54.000 0.048 0.000 0.857 652 D CB -0.002 40.817 40.800 0.032 0.000 0.934 652 D HN 0.348 nan 8.370 nan 0.000 0.475 653 K N 0.122 120.551 120.400 0.049 0.000 2.487 653 K HA 0.032 4.351 4.320 -0.002 0.000 0.192 653 K C 0.257 176.885 176.600 0.047 0.000 1.027 653 K CA -0.309 56.001 56.287 0.039 0.000 1.054 653 K CB 0.408 32.919 32.500 0.019 0.000 0.824 653 K HN -0.035 nan 8.250 nan 0.000 0.510 654 L N 3.652 124.927 121.223 0.086 0.000 2.295 654 L HA 0.153 4.492 4.340 -0.002 0.000 0.288 654 L C -2.046 174.942 176.870 0.196 0.000 1.079 654 L CA -2.437 52.468 54.840 0.108 0.000 0.830 654 L CB 0.231 42.389 42.059 0.166 0.000 1.200 654 L HN -0.029 nan 8.230 nan 0.000 0.438 655 P HA -0.072 nan 4.420 nan 0.000 0.270 655 P C 1.058 178.494 177.300 0.226 0.000 1.227 655 P CA -0.039 63.136 63.100 0.125 0.000 0.788 655 P CB 1.006 32.739 31.700 0.056 0.000 0.926 656 V N 1.529 121.550 119.914 0.179 0.000 2.392 656 V HA -0.241 3.878 4.120 -0.002 0.000 0.249 656 V C 2.458 178.686 176.094 0.224 0.000 1.059 656 V CA 2.979 65.406 62.300 0.212 0.000 1.051 656 V CB -1.438 30.439 31.823 0.090 0.000 0.658 656 V HN 0.803 nan 8.190 nan 0.000 0.455 657 S N 0.627 116.393 115.700 0.111 0.000 2.465 657 S HA -0.022 4.447 4.470 -0.002 0.000 0.241 657 S C 1.846 176.452 174.600 0.009 0.000 1.000 657 S CA 1.180 59.413 58.200 0.055 0.000 0.964 657 S CB -0.659 62.552 63.200 0.019 0.000 0.763 657 S HN 0.988 nan 8.310 nan 0.000 0.512 658 A N -0.092 122.704 122.820 -0.041 0.000 2.235 658 A HA 0.489 4.808 4.320 -0.002 0.000 0.208 658 A C 0.190 177.415 177.584 -0.598 0.000 1.172 658 A CA -0.078 51.755 52.037 -0.339 0.000 0.786 658 A CB -0.415 18.276 19.000 -0.515 0.000 0.804 658 A HN 0.506 nan 8.150 nan 0.000 0.479 659 F N -0.818 119.134 119.950 0.004 0.000 2.611 659 F HA 0.441 4.967 4.527 -0.002 0.000 0.324 659 F C 0.151 175.953 175.800 0.004 0.000 1.061 659 F CA -1.190 56.815 58.000 0.009 0.000 0.954 659 F CB 1.015 40.047 39.000 0.053 0.000 1.301 659 F HN -0.116 nan 8.300 nan 0.000 0.482 660 E N 0.905 121.227 120.200 0.203 0.000 2.223 660 E HA 0.244 4.593 4.350 -0.002 0.000 0.282 660 E C 0.727 177.409 176.600 0.136 0.000 1.046 660 E CA 0.023 56.494 56.400 0.119 0.000 0.857 660 E CB 1.519 31.270 29.700 0.085 0.000 1.055 660 E HN 0.777 nan 8.360 nan 0.000 0.409 661 A N 4.297 127.167 122.820 0.084 0.000 1.958 661 A HA -0.255 4.064 4.320 -0.002 0.000 0.221 661 A C 1.442 179.066 177.584 0.066 0.000 1.178 661 A CA 2.223 54.290 52.037 0.051 0.000 0.642 661 A CB -0.323 18.696 19.000 0.031 0.000 0.816 661 A HN 0.615 nan 8.150 nan 0.000 0.453 662 D N -1.877 118.581 120.400 0.097 0.000 2.349 662 D HA 0.271 4.910 4.640 -0.002 0.000 0.224 662 D C 1.073 177.493 176.300 0.200 0.000 1.029 662 D CA 0.763 54.839 54.000 0.126 0.000 0.879 662 D CB -0.930 39.933 40.800 0.104 0.000 0.906 662 D HN 0.933 nan 8.370 nan 0.000 0.528 663 G N 1.302 110.249 108.800 0.245 0.000 2.246 663 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.273 663 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.273 663 G C 0.111 175.233 174.900 0.371 0.000 1.055 663 G CA 0.240 45.560 45.100 0.367 0.000 0.851 663 G HN 0.788 nan 8.290 nan 0.000 0.500 664 R N -1.739 118.938 120.500 0.296 0.000 2.643 664 R HA 0.868 5.207 4.340 -0.002 0.000 0.272 664 R C -0.854 175.642 176.300 0.327 0.000 0.995 664 R CA -0.895 55.386 56.100 0.302 0.000 1.032 664 R CB 1.139 31.542 30.300 0.172 0.000 1.126 664 R HN 0.038 nan 8.270 nan 0.000 0.505 665 F N 0.613 120.620 119.950 0.096 0.000 2.593 665 F HA 0.549 5.075 4.527 -0.002 0.000 0.320 665 F C -1.910 173.859 175.800 -0.051 0.000 1.060 665 F CA -2.357 55.675 58.000 0.054 0.000 0.940 665 F CB 1.936 41.030 39.000 0.157 0.000 1.268 665 F HN 0.564 nan 8.300 nan 0.000 0.475 666 P HA 0.419 nan 4.420 nan 0.000 0.284 666 P C -0.990 176.354 177.300 0.074 0.000 1.258 666 P CA -0.406 62.634 63.100 -0.099 0.000 0.824 666 P CB 1.352 32.837 31.700 -0.360 0.000 1.038 667 L N 0.510 121.779 121.223 0.077 0.000 2.470 667 L HA 0.377 4.716 4.340 -0.002 0.000 0.243 667 L C 1.882 178.844 176.870 0.154 0.000 1.227 667 L CA 0.979 55.893 54.840 0.123 0.000 0.824 667 L CB -1.118 41.003 42.059 0.103 0.000 1.175 667 L HN 0.811 nan 8.230 nan 0.000 0.503 668 G N -0.975 107.915 108.800 0.151 0.000 2.321 668 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.287 668 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.287 668 G C 0.872 175.946 174.900 0.290 0.000 1.018 668 G CA 0.907 46.103 45.100 0.159 0.000 0.855 668 G HN 0.914 nan 8.290 nan 0.000 0.507 669 T N -2.723 112.044 114.554 0.354 0.000 3.055 669 T HA 0.123 4.472 4.350 -0.002 0.000 0.265 669 T C 2.379 177.416 174.700 0.562 0.000 1.111 669 T CA 1.518 63.937 62.100 0.532 0.000 1.118 669 T CB -0.113 69.098 68.868 0.571 0.000 0.909 669 T HN 1.183 nan 8.240 nan 0.000 0.501 670 S N 0.634 116.571 115.700 0.394 0.000 2.650 670 S HA 0.085 4.554 4.470 -0.002 0.000 0.219 670 S C 1.707 176.562 174.600 0.424 0.000 0.960 670 S CA -0.390 58.051 58.200 0.401 0.000 0.925 670 S CB -0.337 63.054 63.200 0.317 0.000 0.775 670 S HN 0.352 nan 8.310 nan 0.000 0.525 671 Q N 0.109 120.077 119.800 0.280 0.000 2.435 671 Q HA 0.155 4.494 4.340 -0.002 0.000 0.207 671 Q C 0.123 175.843 176.000 -0.467 0.000 0.956 671 Q CA 0.813 56.604 55.803 -0.020 0.000 0.917 671 Q CB -0.248 28.302 28.738 -0.313 0.000 0.997 671 Q HN 0.798 nan 8.270 nan 0.000 0.497 672 F N -0.870 118.984 119.950 -0.160 0.000 2.706 672 F HA 0.243 4.769 4.527 -0.002 0.000 0.313 672 F C 1.725 177.406 175.800 -0.198 0.000 1.096 672 F CA -0.405 57.283 58.000 -0.520 0.000 1.219 672 F CB 0.407 38.448 39.000 -1.599 0.000 1.051 672 F HN -0.022 nan 8.300 nan 0.000 0.568 673 E N 0.907 121.278 120.200 0.285 0.000 2.072 673 E HA -0.126 4.223 4.350 -0.002 0.000 0.191 673 E C 0.551 177.244 176.600 0.155 0.000 0.985 673 E CA 0.577 57.186 56.400 0.348 0.000 0.801 673 E CB -0.013 29.881 29.700 0.323 0.000 0.750 673 E HN -0.022 nan 8.360 nan 0.000 0.452 674 K N 0.898 121.296 120.400 -0.002 0.000 3.333 674 K HA -0.293 4.026 4.320 -0.002 0.000 0.267 674 K C 0.630 177.229 176.600 -0.002 0.000 0.863 674 K CA 0.619 56.855 56.287 -0.085 0.000 0.646 674 K CB -1.181 31.266 32.500 -0.087 0.000 1.499 674 K HN 0.320 nan 8.250 nan 0.000 0.461 675 R N 0.065 120.586 120.500 0.036 0.000 2.136 675 R HA -0.204 4.135 4.340 -0.002 0.000 0.242 675 R C 1.462 177.798 176.300 0.061 0.000 1.131 675 R CA 1.633 57.779 56.100 0.077 0.000 0.937 675 R CB -0.374 29.978 30.300 0.087 0.000 0.863 675 R HN 0.619 nan 8.270 nan 0.000 0.435 676 G N 0.132 108.942 108.800 0.017 0.000 2.298 676 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.287 676 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.287 676 G C 0.421 175.350 174.900 0.049 0.000 1.075 676 G CA 0.301 45.412 45.100 0.018 0.000 0.960 676 G HN 0.397 nan 8.290 nan 0.000 0.502 677 V N -3.232 116.709 119.914 0.046 0.000 3.596 677 V HA 0.746 4.865 4.120 -0.002 0.000 0.289 677 V C 1.412 177.531 176.094 0.040 0.000 1.336 677 V CA 0.631 62.971 62.300 0.067 0.000 1.137 677 V CB -0.109 31.768 31.823 0.090 0.000 0.966 677 V HN 1.638 nan 8.190 nan 0.000 0.428 678 A N 0.196 123.024 122.820 0.014 0.000 2.351 678 A HA 0.684 5.003 4.320 -0.002 0.000 0.257 678 A C 0.848 178.444 177.584 0.021 0.000 1.087 678 A CA -0.133 51.907 52.037 0.005 0.000 0.798 678 A CB 0.597 19.588 19.000 -0.015 0.000 1.033 678 A HN 0.226 nan 8.150 nan 0.000 0.488 679 I N 0.536 121.118 120.570 0.020 0.000 2.512 679 I HA 0.038 4.207 4.170 -0.002 0.000 0.247 679 I C 0.604 176.735 176.117 0.023 0.000 1.094 679 I CA 0.902 62.216 61.300 0.024 0.000 1.427 679 I CB -0.302 37.712 38.000 0.023 0.000 1.149 679 I HN 0.560 nan 8.210 nan 0.000 0.438 680 N N 0.530 119.242 118.700 0.020 0.000 2.314 680 N HA 0.582 5.321 4.740 -0.002 0.000 0.304 680 N C -0.892 174.630 175.510 0.020 0.000 1.073 680 N CA -0.289 52.773 53.050 0.022 0.000 0.822 680 N CB 2.981 41.481 38.487 0.022 0.000 1.280 680 N HN -0.059 nan 8.380 nan 0.000 0.489 681 V N -1.132 118.796 119.914 0.024 0.000 3.074 681 V HA 0.751 4.870 4.120 -0.002 0.000 0.314 681 V C -2.658 173.458 176.094 0.036 0.000 1.117 681 V CA -2.340 59.974 62.300 0.024 0.000 1.014 681 V CB 2.436 34.271 31.823 0.020 0.000 1.057 681 V HN 0.463 nan 8.190 nan 0.000 0.438 682 P HA 0.281 nan 4.420 nan 0.000 0.278 682 P C -1.380 175.968 177.300 0.080 0.000 1.238 682 P CA -0.123 63.014 63.100 0.061 0.000 0.794 682 P CB 1.220 32.959 31.700 0.066 0.000 0.955 683 Q N 2.717 122.573 119.800 0.094 0.000 2.339 683 Q HA 0.245 4.584 4.340 -0.002 0.000 0.268 683 Q C -1.144 174.959 176.000 0.172 0.000 1.027 683 Q CA -0.838 55.034 55.803 0.115 0.000 0.759 683 Q CB 0.840 29.621 28.738 0.071 0.000 1.244 683 Q HN 0.396 nan 8.270 nan 0.000 0.464 684 W N 4.541 125.841 121.300 0.001 0.000 2.193 684 W HA 0.270 4.929 4.660 -0.002 0.000 0.338 684 W C -1.089 175.431 176.519 0.002 0.000 1.310 684 W CA -0.003 57.343 57.345 0.001 0.000 1.243 684 W CB 0.706 30.156 29.460 -0.017 0.000 1.165 684 W HN 0.378 nan 8.180 nan 0.000 0.566 685 V N 9.575 129.195 119.914 -0.490 0.000 2.380 685 V HA 0.127 4.246 4.120 -0.002 0.000 0.268 685 V C -1.258 174.319 176.094 -0.861 0.000 1.008 685 V CA -1.198 60.787 62.300 -0.525 0.000 0.823 685 V CB 1.369 33.056 31.823 -0.227 0.000 1.053 685 V HN 0.533 nan 8.190 nan 0.000 0.446 686 P HA -0.110 nan 4.420 nan 0.000 0.234 686 P C 0.608 177.643 177.300 -0.441 0.000 1.162 686 P CA 0.989 63.409 63.100 -1.133 0.000 0.759 686 P CB 0.578 31.554 31.700 -1.206 0.000 0.813 687 E N -0.478 119.520 120.200 -0.337 0.000 2.415 687 E HA 0.054 4.403 4.350 -0.002 0.000 0.197 687 E C 1.462 177.987 176.600 -0.125 0.000 1.007 687 E CA 0.629 56.921 56.400 -0.179 0.000 0.890 687 E CB -0.263 29.350 29.700 -0.145 0.000 0.891 687 E HN 0.481 nan 8.360 nan 0.000 0.496 688 N N -1.033 117.584 118.700 -0.139 0.000 2.397 688 N HA 0.068 4.807 4.740 -0.002 0.000 0.190 688 N C 0.134 175.627 175.510 -0.028 0.000 1.099 688 N CA -0.224 52.784 53.050 -0.071 0.000 0.876 688 N CB 0.494 38.944 38.487 -0.061 0.000 1.143 688 N HN 0.011 nan 8.380 nan 0.000 0.468 689 C N 1.964 121.253 119.300 -0.020 0.000 2.597 689 C HA 0.051 4.510 4.460 -0.002 0.000 0.412 689 C C 1.630 176.672 174.990 0.088 0.000 1.348 689 C CA -0.139 58.956 59.018 0.128 0.000 1.769 689 C CB -0.653 27.319 27.740 0.388 0.000 2.641 689 C HN 0.491 nan 8.230 nan 0.000 0.612 690 I N 0.906 121.513 120.570 0.061 0.000 4.081 690 I HA 0.312 4.481 4.170 -0.002 0.000 0.333 690 I C 0.602 176.643 176.117 -0.126 0.000 1.413 690 I CA 0.333 61.620 61.300 -0.022 0.000 1.110 690 I CB -0.757 37.224 38.000 -0.031 0.000 1.082 690 I HN 0.830 nan 8.210 nan 0.000 0.402 691 Q N 0.631 120.332 119.800 -0.164 0.000 2.459 691 Q HA -0.210 4.129 4.340 -0.002 0.000 0.314 691 Q C 0.971 176.714 176.000 -0.428 0.000 1.432 691 Q CA 0.640 56.031 55.803 -0.686 0.000 0.823 691 Q CB -2.336 25.712 28.738 -1.149 0.000 1.124 691 Q HN 0.919 nan 8.270 nan 0.000 0.392 692 C N -2.601 116.605 119.300 -0.157 0.000 2.865 692 C HA 0.249 4.708 4.460 -0.002 0.000 0.280 692 C C 1.063 175.995 174.990 -0.097 0.000 1.255 692 C CA 0.579 59.521 59.018 -0.128 0.000 1.705 692 C CB -0.401 27.288 27.740 -0.085 0.000 2.080 692 C HN 0.867 nan 8.230 nan 0.000 0.591 693 N N 0.424 119.130 118.700 0.010 0.000 2.782 693 N HA -0.240 4.499 4.740 -0.002 0.000 0.251 693 N C 0.752 176.282 175.510 0.032 0.000 1.101 693 N CA 0.925 53.991 53.050 0.027 0.000 0.764 693 N CB -1.098 37.325 38.487 -0.107 0.000 1.122 693 N HN 0.737 nan 8.380 nan 0.000 0.561 694 Q N -0.283 119.526 119.800 0.015 0.000 2.245 694 Q HA -0.082 4.257 4.340 -0.002 0.000 0.201 694 Q C 2.497 178.543 176.000 0.076 0.000 0.955 694 Q CA 1.668 57.480 55.803 0.014 0.000 0.870 694 Q CB 0.097 28.814 28.738 -0.035 0.000 0.945 694 Q HN 0.796 nan 8.270 nan 0.000 0.461 695 C N -0.857 118.486 119.300 0.072 0.000 2.440 695 C HA 0.093 4.552 4.460 -0.002 0.000 0.278 695 C C 2.632 177.659 174.990 0.061 0.000 1.295 695 C CA 0.368 59.427 59.018 0.067 0.000 1.738 695 C CB -1.223 26.558 27.740 0.068 0.000 1.987 695 C HN 0.444 nan 8.230 nan 0.000 0.492 696 A N 0.234 123.091 122.820 0.062 0.000 1.897 696 A HA 0.017 4.336 4.320 -0.002 0.000 0.215 696 A C 1.985 179.599 177.584 0.049 0.000 1.181 696 A CA 1.320 53.380 52.037 0.038 0.000 0.620 696 A CB -1.072 17.941 19.000 0.022 0.000 0.821 696 A HN 0.552 nan 8.150 nan 0.000 0.443 697 F N 0.454 120.371 119.950 -0.054 0.000 2.192 697 F HA -0.185 4.341 4.527 -0.002 0.000 0.301 697 F C 2.119 177.866 175.800 -0.089 0.000 1.079 697 F CA 1.893 59.856 58.000 -0.062 0.000 1.303 697 F CB 0.146 39.113 39.000 -0.054 0.000 1.024 697 F HN 0.057 nan 8.300 nan 0.000 0.494 698 V N -1.263 118.732 119.914 0.136 0.000 2.535 698 V HA -0.132 3.987 4.120 -0.002 0.000 0.246 698 V C 1.318 177.386 176.094 -0.044 0.000 1.045 698 V CA 0.459 62.778 62.300 0.031 0.000 1.058 698 V CB -0.478 31.373 31.823 0.047 0.000 0.689 698 V HN 0.364 nan 8.190 nan 0.000 0.461 699 C N 3.413 122.701 119.300 -0.021 0.000 2.298 699 C HA 0.007 4.466 4.460 -0.002 0.000 0.395 699 C C -0.493 174.453 174.990 -0.072 0.000 1.526 699 C CA -0.519 58.492 59.018 -0.012 0.000 1.458 699 C CB 0.090 27.841 27.740 0.017 0.000 2.506 699 C HN 0.354 nan 8.230 nan 0.000 0.604 700 P HA 0.059 nan 4.420 nan 0.000 0.241 700 P C -0.030 176.980 177.300 -0.484 0.000 1.191 700 P CA 1.253 64.204 63.100 -0.248 0.000 0.771 700 P CB 0.095 31.684 31.700 -0.185 0.000 0.929 701 H N -3.174 115.848 119.070 -0.080 0.000 3.052 701 H HA 0.301 4.856 4.556 -0.002 0.000 0.257 701 H C 0.566 175.933 175.328 0.065 0.000 1.193 701 H CA -0.104 55.937 56.048 -0.012 0.000 1.072 701 H CB 0.032 29.836 29.762 0.069 0.000 1.685 701 H HN -0.209 nan 8.280 nan 0.000 0.630 702 S N 0.304 116.040 115.700 0.060 0.000 3.561 702 S HA -0.271 4.198 4.470 -0.002 0.000 0.318 702 S C 1.305 176.029 174.600 0.206 0.000 1.181 702 S CA 0.489 58.716 58.200 0.045 0.000 0.916 702 S CB -1.444 61.690 63.200 -0.112 0.000 0.966 702 S HN 0.689 nan 8.310 nan 0.000 0.550 703 A N 0.207 123.146 122.820 0.198 0.000 2.268 703 A HA 0.506 4.825 4.320 -0.002 0.000 0.221 703 A C 0.523 178.148 177.584 0.067 0.000 1.287 703 A CA 0.352 52.476 52.037 0.144 0.000 0.902 703 A CB -0.252 18.800 19.000 0.086 0.000 0.877 703 A HN 0.664 nan 8.150 nan 0.000 0.487 704 I N 0.172 120.774 120.570 0.053 0.000 2.497 704 I HA 0.246 4.415 4.170 -0.002 0.000 0.284 704 I C -1.218 174.889 176.117 -0.016 0.000 1.060 704 I CA -0.658 60.643 61.300 0.001 0.000 1.071 704 I CB 2.087 40.084 38.000 -0.005 0.000 1.216 704 I HN 0.065 nan 8.210 nan 0.000 0.442 705 L N 9.730 130.927 121.223 -0.044 0.000 2.313 705 L HA 0.616 4.955 4.340 -0.002 0.000 0.273 705 L C -2.563 174.234 176.870 -0.123 0.000 1.028 705 L CA -1.698 53.115 54.840 -0.046 0.000 0.871 705 L CB 0.763 42.816 42.059 -0.009 0.000 1.242 705 L HN 0.209 nan 8.230 nan 0.000 0.434 706 P HA 0.161 nan 4.420 nan 0.000 0.271 706 P C -1.143 176.074 177.300 -0.139 0.000 1.216 706 P CA -0.034 62.944 63.100 -0.202 0.000 0.771 706 P CB 1.083 32.781 31.700 -0.005 0.000 0.864 707 V N 5.234 124.953 119.914 -0.324 0.000 2.448 707 V HA 0.342 4.461 4.120 -0.002 0.000 0.295 707 V C -0.120 175.864 176.094 -0.183 0.000 1.025 707 V CA -0.388 61.804 62.300 -0.180 0.000 0.859 707 V CB 1.532 33.297 31.823 -0.096 0.000 0.988 707 V HN 0.339 nan 8.190 nan 0.000 0.431 708 L N 5.604 126.736 121.223 -0.152 0.000 2.457 708 L HA 0.863 5.202 4.340 -0.002 0.000 0.252 708 L C 0.026 176.922 176.870 0.043 0.000 1.132 708 L CA 0.221 54.977 54.840 -0.140 0.000 0.938 708 L CB 0.630 42.282 42.059 -0.677 0.000 1.246 708 L HN 0.751 nan 8.230 nan 0.000 0.476 709 A N 3.470 126.379 122.820 0.148 0.000 2.437 709 A HA 0.933 5.252 4.320 -0.002 0.000 0.292 709 A C -1.058 176.594 177.584 0.113 0.000 1.173 709 A CA -0.744 51.387 52.037 0.157 0.000 0.785 709 A CB 1.455 20.511 19.000 0.094 0.000 1.351 709 A HN 0.340 nan 8.150 nan 0.000 0.431 710 K N -0.051 120.335 120.400 -0.023 0.000 2.166 710 K HA 0.287 4.606 4.320 -0.002 0.000 0.245 710 K C 0.339 176.931 176.600 -0.012 0.000 0.967 710 K CA 0.036 56.263 56.287 -0.099 0.000 0.863 710 K CB 1.174 33.511 32.500 -0.271 0.000 1.107 710 K HN 0.866 nan 8.250 nan 0.000 0.436 711 E N 0.880 121.079 120.200 -0.001 0.000 2.394 711 E HA -0.237 4.112 4.350 -0.002 0.000 0.202 711 E C 0.510 177.122 176.600 0.019 0.000 1.029 711 E CA 1.207 57.624 56.400 0.028 0.000 0.855 711 E CB -0.045 29.667 29.700 0.020 0.000 0.770 711 E HN 0.542 nan 8.360 nan 0.000 0.527 712 E N 1.118 121.313 120.200 -0.009 0.000 2.208 712 E HA -0.128 4.221 4.350 -0.002 0.000 0.193 712 E C 1.500 178.106 176.600 0.010 0.000 0.988 712 E CA 0.990 57.385 56.400 -0.010 0.000 0.828 712 E CB 0.051 29.730 29.700 -0.036 0.000 0.763 712 E HN 0.618 nan 8.360 nan 0.000 0.478 713 E N 0.019 120.233 120.200 0.024 0.000 2.431 713 E HA 0.046 4.395 4.350 -0.002 0.000 0.200 713 E C 0.174 176.846 176.600 0.120 0.000 0.995 713 E CA -0.045 56.379 56.400 0.039 0.000 0.915 713 E CB 0.352 30.059 29.700 0.011 0.000 0.930 713 E HN 0.014 nan 8.360 nan 0.000 0.496 714 L N 1.443 122.752 121.223 0.142 0.000 2.923 714 L HA 0.107 4.446 4.340 -0.002 0.000 0.231 714 L C 0.817 177.746 176.870 0.098 0.000 1.300 714 L CA 0.141 55.100 54.840 0.198 0.000 1.184 714 L CB 0.579 42.770 42.059 0.220 0.000 1.511 714 L HN -0.067 nan 8.230 nan 0.000 0.448 715 V N -0.309 119.659 119.914 0.091 0.000 2.391 715 V HA 0.161 4.280 4.120 -0.002 0.000 0.237 715 V C 1.734 177.820 176.094 -0.014 0.000 1.046 715 V CA 1.067 63.387 62.300 0.033 0.000 1.053 715 V CB -0.501 31.342 31.823 0.034 0.000 0.704 715 V HN 0.568 nan 8.190 nan 0.000 0.475 716 G N 0.515 109.321 108.800 0.010 0.000 3.541 716 G HA2 0.542 4.501 3.960 -0.002 0.000 0.253 716 G HA3 0.542 4.501 3.960 -0.002 0.000 0.253 716 G C -0.059 174.667 174.900 -0.290 0.000 1.017 716 G CA 0.672 45.739 45.100 -0.055 0.000 1.832 716 G HN 0.562 nan 8.290 nan 0.000 0.649 717 A N 1.218 123.738 122.820 -0.499 0.000 2.337 717 A HA 0.881 5.200 4.320 -0.002 0.000 0.331 717 A C -2.452 174.838 177.584 -0.490 0.000 1.137 717 A CA -1.496 49.918 52.037 -1.039 0.000 0.807 717 A CB 1.270 19.564 19.000 -1.178 0.000 1.250 717 A HN 0.270 nan 8.150 nan 0.000 0.468 718 P HA 0.238 nan 4.420 nan 0.000 0.266 718 P C 0.838 178.113 177.300 -0.042 0.000 1.195 718 P CA 0.491 63.495 63.100 -0.159 0.000 0.768 718 P CB 0.845 32.490 31.700 -0.093 0.000 0.838 719 A N 3.408 126.218 122.820 -0.016 0.000 2.076 719 A HA -0.201 4.118 4.320 -0.002 0.000 0.220 719 A C 1.442 179.061 177.584 0.057 0.000 1.160 719 A CA 1.770 53.818 52.037 0.018 0.000 0.653 719 A CB -1.223 17.782 19.000 0.007 0.000 0.801 719 A HN 0.822 nan 8.150 nan 0.000 0.455 720 N N -2.420 116.325 118.700 0.075 0.000 2.314 720 N HA 0.093 4.832 4.740 -0.002 0.000 0.200 720 N C 0.323 175.931 175.510 0.164 0.000 1.135 720 N CA -0.317 52.791 53.050 0.096 0.000 0.835 720 N CB -0.091 38.443 38.487 0.077 0.000 0.989 720 N HN 0.250 nan 8.380 nan 0.000 0.478 721 F N 2.979 122.934 119.950 0.010 0.000 2.859 721 F HA 0.187 4.713 4.527 -0.002 0.000 0.315 721 F C 0.102 175.963 175.800 0.102 0.000 1.207 721 F CA -0.458 57.565 58.000 0.037 0.000 1.370 721 F CB -1.082 37.895 39.000 -0.039 0.000 1.314 721 F HN -0.122 nan 8.300 nan 0.000 0.555 722 T N 2.403 116.995 114.554 0.063 0.000 2.777 722 T HA 0.259 4.608 4.350 -0.002 0.000 0.273 722 T C 0.161 174.935 174.700 0.124 0.000 1.016 722 T CA 0.807 62.957 62.100 0.085 0.000 1.156 722 T CB -0.004 68.906 68.868 0.070 0.000 1.019 722 T HN 0.522 nan 8.240 nan 0.000 0.503 723 A N 4.167 127.069 122.820 0.137 0.000 2.427 723 A HA 0.687 5.006 4.320 -0.002 0.000 0.298 723 A C -0.234 177.487 177.584 0.228 0.000 1.036 723 A CA -0.847 51.301 52.037 0.186 0.000 0.701 723 A CB 1.070 20.116 19.000 0.076 0.000 1.250 723 A HN 0.754 nan 8.150 nan 0.000 0.412 724 L N 0.757 122.189 121.223 0.348 0.000 2.600 724 L HA 0.442 4.781 4.340 -0.002 0.000 0.221 724 L C 0.734 177.756 176.870 0.254 0.000 1.197 724 L CA -0.629 54.376 54.840 0.276 0.000 0.838 724 L CB 0.523 42.788 42.059 0.342 0.000 1.474 724 L HN 0.857 nan 8.230 nan 0.000 0.514 725 E N 0.499 120.820 120.200 0.202 0.000 2.129 725 E HA 0.535 4.884 4.350 -0.002 0.000 0.268 725 E C -0.710 176.001 176.600 0.184 0.000 0.900 725 E CA -0.938 55.571 56.400 0.181 0.000 0.755 725 E CB 1.522 31.294 29.700 0.120 0.000 1.117 725 E HN 0.579 nan 8.360 nan 0.000 0.410 726 A N 4.426 127.390 122.820 0.239 0.000 2.630 726 A HA -0.148 4.171 4.320 -0.002 0.000 0.231 726 A C -0.247 177.392 177.584 0.092 0.000 1.023 726 A CA 0.628 52.784 52.037 0.198 0.000 0.773 726 A CB -0.032 19.115 19.000 0.245 0.000 0.923 726 A HN 0.685 nan 8.150 nan 0.000 0.497 727 K N 1.404 121.809 120.400 0.008 0.000 2.244 727 K HA 0.665 4.984 4.320 -0.002 0.000 0.260 727 K C 0.456 177.049 176.600 -0.010 0.000 0.951 727 K CA 0.242 56.519 56.287 -0.017 0.000 0.826 727 K CB 1.849 34.304 32.500 -0.076 0.000 1.108 727 K HN 1.628 nan 8.250 nan 0.000 0.433 728 G N 1.402 110.206 108.800 0.006 0.000 2.318 728 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.367 728 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.367 728 G C -0.292 174.624 174.900 0.027 0.000 1.260 728 G CA -0.543 44.562 45.100 0.008 0.000 1.055 728 G HN 0.452 nan 8.290 nan 0.000 0.484 729 K N -0.031 120.384 120.400 0.026 0.000 2.102 729 K HA 0.135 4.454 4.320 -0.002 0.000 0.208 729 K C 2.353 178.981 176.600 0.047 0.000 1.027 729 K CA 1.639 57.947 56.287 0.034 0.000 0.958 729 K CB -0.520 31.995 32.500 0.025 0.000 0.819 729 K HN 0.381 nan 8.250 nan 0.000 0.453 730 E N 1.040 121.261 120.200 0.035 0.000 2.273 730 E HA -0.093 4.256 4.350 -0.002 0.000 0.198 730 E C 0.118 176.729 176.600 0.018 0.000 1.002 730 E CA 0.726 57.142 56.400 0.028 0.000 0.828 730 E CB -0.123 29.580 29.700 0.005 0.000 0.747 730 E HN 0.269 nan 8.360 nan 0.000 0.491 731 L N 0.698 121.942 121.223 0.036 0.000 2.371 731 L HA 0.358 4.697 4.340 -0.002 0.000 0.262 731 L C 0.995 177.954 176.870 0.149 0.000 1.054 731 L CA -0.291 54.587 54.840 0.063 0.000 0.924 731 L CB 0.998 43.089 42.059 0.053 0.000 1.295 731 L HN -0.078 nan 8.230 nan 0.000 0.441 732 K N 1.762 122.298 120.400 0.225 0.000 2.344 732 K HA 0.183 4.502 4.320 -0.002 0.000 0.229 732 K C 1.775 178.473 176.600 0.163 0.000 1.112 732 K CA 0.699 57.081 56.287 0.159 0.000 0.850 732 K CB 0.230 32.799 32.500 0.116 0.000 1.311 732 K HN 0.527 nan 8.250 nan 0.000 0.448 733 G N 0.236 109.122 108.800 0.143 0.000 2.534 733 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.217 733 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.217 733 G C 0.171 175.088 174.900 0.029 0.000 1.128 733 G CA 0.306 45.429 45.100 0.039 0.000 0.784 733 G HN 0.161 nan 8.290 nan 0.000 0.542 734 Y N 0.785 121.113 120.300 0.046 0.000 2.511 734 Y HA 0.287 4.836 4.550 -0.002 0.000 0.347 734 Y C 0.566 176.521 175.900 0.092 0.000 1.257 734 Y CA 0.020 58.151 58.100 0.052 0.000 1.469 734 Y CB 0.675 39.154 38.460 0.031 0.000 1.353 734 Y HN -0.142 nan 8.280 nan 0.000 0.617 735 K N 2.650 123.208 120.400 0.263 0.000 2.323 735 K HA 0.295 4.614 4.320 -0.002 0.000 0.259 735 K C -1.197 175.562 176.600 0.264 0.000 0.947 735 K CA -0.700 55.726 56.287 0.232 0.000 0.819 735 K CB 1.390 33.991 32.500 0.168 0.000 1.109 735 K HN 0.486 nan 8.250 nan 0.000 0.429 736 F N 2.268 122.303 119.950 0.143 0.000 2.377 736 F HA 0.554 5.080 4.527 -0.002 0.000 0.328 736 F C 0.292 176.126 175.800 0.057 0.000 1.094 736 F CA -0.231 57.842 58.000 0.122 0.000 1.093 736 F CB 1.094 40.196 39.000 0.170 0.000 1.214 736 F HN 0.576 nan 8.300 nan 0.000 0.518 737 R N 4.808 124.696 120.500 -1.021 0.000 2.728 737 R HA 0.378 4.717 4.340 -0.002 0.000 0.259 737 R C -2.521 172.873 176.300 -1.512 0.000 1.057 737 R CA -0.683 54.702 56.100 -1.193 0.000 0.908 737 R CB 1.003 30.822 30.300 -0.803 0.000 1.259 737 R HN 0.581 nan 8.270 nan 0.000 0.472 738 I N 3.852 123.259 120.570 -1.939 0.000 2.405 738 I HA 0.204 4.373 4.170 -0.002 0.000 0.280 738 I C -0.468 175.151 176.117 -0.831 0.000 1.027 738 I CA -0.457 60.106 61.300 -1.228 0.000 1.161 738 I CB 1.249 38.534 38.000 -1.191 0.000 1.300 738 I HN 0.595 nan 8.210 nan 0.000 0.463 739 Q N 6.405 125.926 119.800 -0.465 0.000 2.349 739 Q HA 0.353 4.692 4.340 -0.002 0.000 0.254 739 Q C -0.586 175.351 176.000 -0.105 0.000 0.980 739 Q CA -0.260 55.414 55.803 -0.214 0.000 0.924 739 Q CB 0.668 29.369 28.738 -0.062 0.000 1.209 739 Q HN 0.363 nan 8.270 nan 0.000 0.445 740 I N 3.835 124.375 120.570 -0.050 0.000 2.496 740 I HA 0.043 4.212 4.170 -0.002 0.000 0.285 740 I C 0.494 176.610 176.117 -0.002 0.000 1.080 740 I CA 0.252 61.546 61.300 -0.010 0.000 1.404 740 I CB 0.557 38.573 38.000 0.027 0.000 1.403 740 I HN 0.770 nan 8.210 nan 0.000 0.539 741 N N 4.300 122.993 118.700 -0.011 0.000 3.229 741 N HA 0.021 4.760 4.740 -0.002 0.000 0.275 741 N C 1.359 176.831 175.510 -0.062 0.000 1.225 741 N CA -0.115 52.907 53.050 -0.046 0.000 1.119 741 N CB 0.462 38.911 38.487 -0.063 0.000 1.392 741 N HN 0.725 nan 8.380 nan 0.000 0.520 742 T N -0.176 114.357 114.554 -0.035 0.000 2.802 742 T HA -0.208 4.141 4.350 -0.002 0.000 0.269 742 T C 1.599 176.269 174.700 -0.050 0.000 1.062 742 T CA 0.966 63.050 62.100 -0.026 0.000 1.133 742 T CB -0.123 68.745 68.868 -0.001 0.000 0.852 742 T HN 0.401 nan 8.240 nan 0.000 0.485 743 L N 0.279 121.451 121.223 -0.086 0.000 2.162 743 L HA 0.113 4.452 4.340 -0.002 0.000 0.205 743 L C 2.333 179.110 176.870 -0.155 0.000 1.086 743 L CA 1.080 55.860 54.840 -0.099 0.000 0.778 743 L CB -0.268 41.728 42.059 -0.104 0.000 0.928 743 L HN 0.186 nan 8.230 nan 0.000 0.446 744 D N -0.646 119.598 120.400 -0.260 0.000 2.349 744 D HA -0.016 4.623 4.640 -0.002 0.000 0.215 744 D C 0.662 176.861 176.300 -0.169 0.000 1.016 744 D CA 0.182 53.981 54.000 -0.336 0.000 0.870 744 D CB 0.157 40.432 40.800 -0.875 0.000 0.917 744 D HN 0.224 nan 8.370 nan 0.000 0.524 745 C N 1.504 120.732 119.300 -0.119 0.000 2.637 745 C HA 0.098 4.557 4.460 -0.002 0.000 0.418 745 C C 1.605 176.516 174.990 -0.132 0.000 1.319 745 C CA -0.336 58.632 59.018 -0.084 0.000 1.949 745 C CB -0.218 27.499 27.740 -0.039 0.000 2.639 745 C HN 0.149 nan 8.230 nan 0.000 0.594 746 M N 4.378 123.856 119.600 -0.204 0.000 2.431 746 M HA 0.194 4.673 4.480 -0.002 0.000 0.237 746 M C 1.630 177.878 176.300 -0.086 0.000 1.130 746 M CA 0.848 56.021 55.300 -0.212 0.000 1.002 746 M CB -1.164 31.180 32.600 -0.426 0.000 1.524 746 M HN 1.181 nan 8.290 nan 0.000 0.482 747 G N 1.549 110.321 108.800 -0.048 0.000 2.350 747 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.298 747 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.298 747 G C 0.929 175.831 174.900 0.003 0.000 1.037 747 G CA 0.429 45.523 45.100 -0.010 0.000 1.074 747 G HN 0.699 nan 8.290 nan 0.000 0.511 748 C N -2.053 117.254 119.300 0.011 0.000 2.504 748 C HA 0.580 5.039 4.460 -0.002 0.000 0.279 748 C C 2.488 177.495 174.990 0.029 0.000 1.358 748 C CA 1.125 60.159 59.018 0.026 0.000 1.747 748 C CB -0.476 27.291 27.740 0.045 0.000 2.037 748 C HN 2.432 nan 8.230 nan 0.000 0.503 749 G N 1.240 110.057 108.800 0.030 0.000 2.176 749 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.232 749 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.232 749 G C 0.514 175.434 174.900 0.033 0.000 0.986 749 G CA 0.633 45.751 45.100 0.031 0.000 0.643 749 G HN 0.502 nan 8.290 nan 0.000 0.522 750 N N 0.382 119.102 118.700 0.033 0.000 2.018 750 N HA -0.175 4.564 4.740 -0.002 0.000 0.196 750 N C 2.754 178.284 175.510 0.034 0.000 1.043 750 N CA 2.884 55.953 53.050 0.031 0.000 0.856 750 N CB -0.799 37.703 38.487 0.025 0.000 1.042 750 N HN 1.046 nan 8.380 nan 0.000 0.423 751 C N 0.002 119.326 119.300 0.039 0.000 2.376 751 C HA -0.067 4.392 4.460 -0.002 0.000 0.275 751 C C 2.673 177.694 174.990 0.051 0.000 1.200 751 C CA 0.731 59.777 59.018 0.047 0.000 1.756 751 C CB -1.536 26.236 27.740 0.052 0.000 2.050 751 C HN 0.400 nan 8.230 nan 0.000 0.460 752 A N 1.235 124.086 122.820 0.051 0.000 1.933 752 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 752 A C 1.914 179.521 177.584 0.039 0.000 1.175 752 A CA 2.246 54.314 52.037 0.051 0.000 0.628 752 A CB -1.017 18.011 19.000 0.048 0.000 0.814 752 A HN 0.712 nan 8.150 nan 0.000 0.444 753 D N -0.917 119.504 120.400 0.034 0.000 2.264 753 D HA -0.080 4.559 4.640 -0.002 0.000 0.208 753 D C 1.465 177.780 176.300 0.025 0.000 0.966 753 D CA 1.174 55.191 54.000 0.028 0.000 0.864 753 D CB -0.085 40.732 40.800 0.028 0.000 0.933 753 D HN 0.469 nan 8.370 nan 0.000 0.499 754 I N -0.616 119.969 120.570 0.026 0.000 4.035 754 I HA 0.133 4.302 4.170 -0.002 0.000 0.321 754 I C 0.095 176.222 176.117 0.016 0.000 1.289 754 I CA -0.234 61.076 61.300 0.017 0.000 1.236 754 I CB 0.305 38.312 38.000 0.013 0.000 1.076 754 I HN 0.022 nan 8.210 nan 0.000 0.418 755 C N 4.359 123.678 119.300 0.031 0.000 2.421 755 C HA 0.004 4.463 4.460 -0.002 0.000 0.401 755 C C -0.551 174.453 174.990 0.023 0.000 1.493 755 C CA -1.007 58.035 59.018 0.040 0.000 1.416 755 C CB -0.242 27.536 27.740 0.063 0.000 2.451 755 C HN 0.336 nan 8.230 nan 0.000 0.624 756 P HA -0.126 nan 4.420 nan 0.000 0.214 756 P C -1.655 175.644 177.300 -0.001 0.000 1.164 756 P CA 1.600 64.698 63.100 -0.004 0.000 0.942 756 P CB -1.230 30.460 31.700 -0.015 0.000 0.791 757 P HA -0.119 nan 4.420 nan 0.000 0.261 757 P C 0.485 177.784 177.300 -0.001 0.000 1.165 757 P CA 0.840 63.939 63.100 -0.001 0.000 0.759 757 P CB 0.593 32.294 31.700 0.002 0.000 0.772 758 K N 1.771 122.167 120.400 -0.005 0.000 2.059 758 K HA -0.170 4.149 4.320 -0.002 0.000 0.212 758 K C 1.028 177.626 176.600 -0.004 0.000 1.050 758 K CA 1.500 57.784 56.287 -0.005 0.000 0.927 758 K CB -0.100 32.395 32.500 -0.007 0.000 0.714 758 K HN 0.639 nan 8.250 nan 0.000 0.447 759 E N 2.649 122.845 120.200 -0.008 0.000 1.932 759 E HA 0.067 4.416 4.350 -0.002 0.000 0.259 759 E C -0.776 175.819 176.600 -0.009 0.000 1.099 759 E CA -0.234 56.160 56.400 -0.011 0.000 0.970 759 E CB 0.151 29.840 29.700 -0.019 0.000 1.143 759 E HN -0.099 nan 8.360 nan 0.000 0.441 760 K N 1.503 121.903 120.400 0.001 0.000 2.539 760 K HA -0.120 4.199 4.320 -0.002 0.000 0.271 760 K C 0.764 177.369 176.600 0.008 0.000 1.004 760 K CA 0.751 57.046 56.287 0.013 0.000 1.117 760 K CB 0.145 32.656 32.500 0.020 0.000 0.815 760 K HN 0.627 nan 8.250 nan 0.000 0.481 761 A N 4.109 126.947 122.820 0.031 0.000 2.307 761 A HA 0.172 4.491 4.320 -0.002 0.000 0.218 761 A C 0.373 178.008 177.584 0.086 0.000 1.228 761 A CA 0.144 52.193 52.037 0.020 0.000 0.857 761 A CB 0.096 19.140 19.000 0.072 0.000 0.897 761 A HN 0.536 nan 8.150 nan 0.000 0.495 762 L N 0.457 121.732 121.223 0.088 0.000 2.441 762 L HA 0.475 4.814 4.340 -0.002 0.000 0.270 762 L C -1.449 175.460 176.870 0.064 0.000 0.973 762 L CA -0.612 54.293 54.840 0.108 0.000 0.842 762 L CB 2.393 44.527 42.059 0.125 0.000 1.239 762 L HN -0.093 nan 8.230 nan 0.000 0.406 763 V N 3.572 123.520 119.914 0.056 0.000 2.540 763 V HA 0.453 4.572 4.120 -0.002 0.000 0.302 763 V C 0.170 176.288 176.094 0.040 0.000 1.035 763 V CA -0.677 61.645 62.300 0.038 0.000 0.873 763 V CB 2.142 33.979 31.823 0.023 0.000 0.992 763 V HN 0.626 nan 8.190 nan 0.000 0.428 764 M N 4.828 124.449 119.600 0.034 0.000 2.217 764 M HA 0.401 4.880 4.480 -0.002 0.000 0.352 764 M C -0.254 176.063 176.300 0.029 0.000 1.376 764 M CA 0.430 55.750 55.300 0.032 0.000 1.107 764 M CB 0.416 33.033 32.600 0.028 0.000 1.723 764 M HN 0.635 nan 8.290 nan 0.000 0.461 765 Q N 3.262 123.081 119.800 0.031 0.000 2.456 765 Q HA 0.571 4.910 4.340 -0.002 0.000 0.283 765 Q C -2.472 173.545 176.000 0.029 0.000 1.084 765 Q CA -2.026 53.794 55.803 0.028 0.000 0.801 765 Q CB 1.546 30.303 28.738 0.030 0.000 1.434 765 Q HN 0.314 nan 8.270 nan 0.000 0.419 766 P HA -0.074 nan 4.420 nan 0.000 0.262 766 P C 0.880 178.199 177.300 0.032 0.000 1.182 766 P CA -0.003 63.115 63.100 0.030 0.000 0.761 766 P CB 0.434 32.152 31.700 0.030 0.000 0.795 767 L N 5.444 126.686 121.223 0.032 0.000 1.991 767 L HA -0.289 4.050 4.340 -0.002 0.000 0.221 767 L C 1.467 178.360 176.870 0.037 0.000 1.079 767 L CA 2.584 57.443 54.840 0.032 0.000 0.778 767 L CB -1.546 40.532 42.059 0.031 0.000 0.893 767 L HN 0.408 nan 8.230 nan 0.000 0.437 768 D N -1.804 118.623 120.400 0.044 0.000 2.271 768 D HA -0.206 4.433 4.640 -0.002 0.000 0.207 768 D C 1.637 177.964 176.300 0.045 0.000 0.983 768 D CA 1.364 55.394 54.000 0.050 0.000 0.878 768 D CB -1.129 39.708 40.800 0.061 0.000 0.920 768 D HN 0.603 nan 8.370 nan 0.000 0.479 769 T N -4.152 110.426 114.554 0.041 0.000 3.272 769 T HA 0.163 4.512 4.350 -0.002 0.000 0.250 769 T C 1.068 175.790 174.700 0.038 0.000 1.082 769 T CA -0.182 61.940 62.100 0.038 0.000 0.968 769 T CB 0.279 69.168 68.868 0.034 0.000 1.015 769 T HN 0.019 nan 8.240 nan 0.000 0.563 770 Q N 0.581 120.404 119.800 0.039 0.000 2.485 770 Q HA 0.178 4.517 4.340 -0.002 0.000 0.228 770 Q C 2.344 178.368 176.000 0.040 0.000 0.763 770 Q CA 0.513 56.340 55.803 0.042 0.000 0.959 770 Q CB -0.082 28.681 28.738 0.042 0.000 1.314 770 Q HN 0.626 nan 8.270 nan 0.000 0.508 771 R N 1.632 122.152 120.500 0.034 0.000 2.133 771 R HA -0.186 4.153 4.340 -0.002 0.000 0.245 771 R C 0.976 177.294 176.300 0.030 0.000 1.137 771 R CA 2.116 58.234 56.100 0.029 0.000 0.947 771 R CB -0.712 29.604 30.300 0.027 0.000 0.865 771 R HN 0.074 nan 8.270 nan 0.000 0.437 772 D N 0.937 121.356 120.400 0.032 0.000 2.182 772 D HA -0.135 4.504 4.640 -0.002 0.000 0.201 772 D C 1.804 178.124 176.300 0.032 0.000 0.986 772 D CA 1.885 55.903 54.000 0.029 0.000 0.847 772 D CB -0.033 40.783 40.800 0.028 0.000 0.942 772 D HN 0.577 nan 8.370 nan 0.000 0.467 773 A N 0.148 122.992 122.820 0.041 0.000 2.115 773 A HA -0.027 4.292 4.320 -0.002 0.000 0.211 773 A C 2.045 179.670 177.584 0.069 0.000 1.169 773 A CA 0.329 52.397 52.037 0.051 0.000 0.787 773 A CB 0.241 19.273 19.000 0.053 0.000 0.858 773 A HN -0.015 nan 8.150 nan 0.000 0.474 774 Q N -0.327 119.512 119.800 0.065 0.000 2.226 774 Q HA 0.040 4.379 4.340 -0.002 0.000 0.199 774 Q C 2.205 178.244 176.000 0.065 0.000 0.945 774 Q CA 1.240 57.090 55.803 0.077 0.000 0.861 774 Q CB -0.970 27.805 28.738 0.062 0.000 0.953 774 Q HN 0.358 nan 8.270 nan 0.000 0.490 775 V N 3.332 123.268 119.914 0.037 0.000 2.278 775 V HA -0.220 3.899 4.120 -0.002 0.000 0.251 775 V C -0.435 175.676 176.094 0.028 0.000 1.062 775 V CA 2.510 64.821 62.300 0.018 0.000 1.038 775 V CB -1.842 29.985 31.823 0.007 0.000 0.646 775 V HN 0.288 nan 8.190 nan 0.000 0.447 776 P HA -0.115 nan 4.420 nan 0.000 0.225 776 P C 1.056 178.389 177.300 0.054 0.000 1.156 776 P CA 1.394 64.513 63.100 0.032 0.000 0.787 776 P CB -0.222 31.490 31.700 0.020 0.000 0.802 777 N N -0.349 118.411 118.700 0.100 0.000 2.376 777 N HA -0.014 4.725 4.740 -0.002 0.000 0.177 777 N C 1.829 177.473 175.510 0.224 0.000 1.024 777 N CA -0.087 53.078 53.050 0.193 0.000 0.893 777 N CB -0.188 38.516 38.487 0.361 0.000 0.980 777 N HN 0.052 nan 8.380 nan 0.000 0.439 778 L N 1.765 123.070 121.223 0.137 0.000 2.072 778 L HA -0.021 4.318 4.340 -0.002 0.000 0.205 778 L C 1.675 178.571 176.870 0.042 0.000 1.079 778 L CA 1.827 56.721 54.840 0.091 0.000 0.752 778 L CB -0.512 41.566 42.059 0.031 0.000 0.906 778 L HN 0.082 nan 8.230 nan 0.000 0.436 779 E N -0.839 119.375 120.200 0.025 0.000 2.333 779 E HA -0.234 4.115 4.350 -0.002 0.000 0.198 779 E C 1.762 178.354 176.600 -0.013 0.000 1.007 779 E CA 0.871 57.266 56.400 -0.007 0.000 0.845 779 E CB -0.197 29.502 29.700 -0.003 0.000 0.766 779 E HN 0.631 nan 8.360 nan 0.000 0.507 780 Y N 0.615 120.840 120.300 -0.125 0.000 2.205 780 Y HA 0.112 4.661 4.550 -0.002 0.000 0.292 780 Y C 2.266 178.038 175.900 -0.213 0.000 1.119 780 Y CA 1.244 59.212 58.100 -0.220 0.000 1.117 780 Y CB -0.459 37.763 38.460 -0.397 0.000 1.037 780 Y HN -0.034 nan 8.280 nan 0.000 0.510 781 A N 0.789 123.553 122.820 -0.093 0.000 2.024 781 A HA -0.150 4.169 4.320 -0.002 0.000 0.220 781 A C 2.227 179.762 177.584 -0.081 0.000 1.164 781 A CA 1.761 53.806 52.037 0.012 0.000 0.643 781 A CB -1.433 17.783 19.000 0.359 0.000 0.806 781 A HN 0.608 nan 8.150 nan 0.000 0.451 782 A N -0.742 122.026 122.820 -0.086 0.000 2.172 782 A HA -0.015 4.304 4.320 -0.002 0.000 0.216 782 A C 1.980 179.484 177.584 -0.134 0.000 1.154 782 A CA 1.108 53.096 52.037 -0.082 0.000 0.701 782 A CB -0.268 18.695 19.000 -0.062 0.000 0.789 782 A HN 0.530 nan 8.150 nan 0.000 0.465 783 R N -0.808 119.552 120.500 -0.233 0.000 2.393 783 R HA 0.366 4.705 4.340 -0.002 0.000 0.244 783 R C -0.527 175.611 176.300 -0.269 0.000 0.920 783 R CA -0.097 55.853 56.100 -0.250 0.000 1.076 783 R CB 0.269 30.384 30.300 -0.307 0.000 1.119 783 R HN 0.408 nan 8.270 nan 0.000 0.524 784 I N 2.405 122.825 120.570 -0.249 0.000 2.342 784 I HA 0.218 4.387 4.170 -0.002 0.000 0.291 784 I C -2.051 174.005 176.117 -0.101 0.000 1.010 784 I CA -2.395 58.797 61.300 -0.181 0.000 1.308 784 I CB 1.245 39.167 38.000 -0.131 0.000 1.400 784 I HN -0.273 nan 8.210 nan 0.000 0.488 785 P HA -0.016 nan 4.420 nan 0.000 0.261 785 P C -0.538 176.733 177.300 -0.049 0.000 1.183 785 P CA -0.080 62.989 63.100 -0.053 0.000 0.761 785 P CB 0.303 31.981 31.700 -0.037 0.000 0.785 786 V N 5.683 125.570 119.914 -0.044 0.000 2.439 786 V HA 0.020 4.139 4.120 -0.002 0.000 0.271 786 V C 0.918 176.978 176.094 -0.057 0.000 1.040 786 V CA -0.032 62.241 62.300 -0.045 0.000 1.002 786 V CB 0.076 31.888 31.823 -0.018 0.000 1.000 786 V HN 0.395 nan 8.190 nan 0.000 0.477 787 K N 4.169 124.494 120.400 -0.126 0.000 2.110 787 K HA 0.138 4.457 4.320 -0.002 0.000 0.260 787 K C 1.214 177.763 176.600 -0.086 0.000 1.126 787 K CA 0.176 56.371 56.287 -0.154 0.000 1.005 787 K CB 0.457 32.750 32.500 -0.345 0.000 1.336 787 K HN 0.845 nan 8.250 nan 0.000 0.369 788 S N 0.413 116.099 115.700 -0.023 0.000 2.486 788 S HA 0.026 4.495 4.470 -0.002 0.000 0.220 788 S C 0.949 175.557 174.600 0.014 0.000 1.011 788 S CA 0.010 58.220 58.200 0.016 0.000 0.921 788 S CB 0.167 63.374 63.200 0.011 0.000 0.785 788 S HN 0.363 nan 8.310 nan 0.000 0.517 789 E N 0.869 121.068 120.200 -0.003 0.000 2.419 789 E HA 0.311 4.660 4.350 -0.002 0.000 0.190 789 E C 1.223 177.819 176.600 -0.005 0.000 1.040 789 E CA -0.073 56.330 56.400 0.004 0.000 0.900 789 E CB 0.661 30.366 29.700 0.008 0.000 1.054 789 E HN 0.370 nan 8.360 nan 0.000 0.462 790 V N -0.780 119.116 119.914 -0.030 0.000 2.575 790 V HA 0.226 4.345 4.120 -0.002 0.000 0.242 790 V C 0.391 176.482 176.094 -0.005 0.000 1.045 790 V CA 0.832 63.092 62.300 -0.066 0.000 1.065 790 V CB 0.294 31.977 31.823 -0.234 0.000 0.717 790 V HN 0.103 nan 8.190 nan 0.000 0.467 791 L N -0.108 121.148 121.223 0.056 0.000 2.309 791 L HA 0.526 4.865 4.340 -0.002 0.000 0.261 791 L C -2.508 174.395 176.870 0.055 0.000 1.021 791 L CA -2.088 52.797 54.840 0.075 0.000 0.823 791 L CB 1.820 43.966 42.059 0.144 0.000 1.366 791 L HN -0.045 nan 8.230 nan 0.000 0.423 792 P HA 0.037 nan 4.420 nan 0.000 0.258 792 P C 0.219 177.529 177.300 0.015 0.000 1.187 792 P CA 0.196 63.308 63.100 0.020 0.000 0.767 792 P CB 0.512 32.220 31.700 0.013 0.000 0.770 793 R N 4.005 124.507 120.500 0.003 0.000 2.103 793 R HA -0.203 4.136 4.340 -0.002 0.000 0.242 793 R C 0.854 177.131 176.300 -0.039 0.000 1.142 793 R CA 2.159 58.247 56.100 -0.020 0.000 0.960 793 R CB -0.220 30.050 30.300 -0.050 0.000 0.858 793 R HN 0.498 nan 8.270 nan 0.000 0.439 794 D N -0.050 120.328 120.400 -0.037 0.000 2.370 794 D HA -0.013 4.626 4.640 -0.002 0.000 0.230 794 D C -0.309 175.997 176.300 0.009 0.000 1.143 794 D CA -0.137 53.845 54.000 -0.030 0.000 0.834 794 D CB 0.136 40.919 40.800 -0.028 0.000 0.944 794 D HN 0.185 nan 8.370 nan 0.000 0.504 795 S N -0.984 114.721 115.700 0.008 0.000 2.617 795 S HA 0.305 4.774 4.470 -0.002 0.000 0.283 795 S C 1.181 175.781 174.600 -0.000 0.000 1.189 795 S CA -0.975 57.224 58.200 -0.001 0.000 1.036 795 S CB 1.985 65.176 63.200 -0.014 0.000 1.014 795 S HN 0.160 nan 8.310 nan 0.000 0.522 796 L N 1.504 122.699 121.223 -0.047 0.000 1.956 796 L HA -0.163 4.176 4.340 -0.002 0.000 0.216 796 L C 2.672 179.483 176.870 -0.098 0.000 1.073 796 L CA 1.993 56.763 54.840 -0.116 0.000 0.762 796 L CB -0.424 41.487 42.059 -0.246 0.000 0.889 796 L HN 0.971 nan 8.230 nan 0.000 0.433 797 K N -0.814 119.492 120.400 -0.157 0.000 2.362 797 K HA -0.106 4.213 4.320 -0.002 0.000 0.200 797 K C 1.635 178.002 176.600 -0.389 0.000 1.046 797 K CA 1.098 57.225 56.287 -0.267 0.000 0.952 797 K CB -0.062 32.293 32.500 -0.242 0.000 0.753 797 K HN 0.534 nan 8.250 nan 0.000 0.466 798 G N -0.156 108.542 108.800 -0.170 0.000 2.662 798 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.212 798 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.212 798 G C 1.376 176.272 174.900 -0.006 0.000 1.141 798 G CA 0.469 45.532 45.100 -0.061 0.000 0.797 798 G HN 0.412 nan 8.290 nan 0.000 0.531 799 S N 0.262 115.960 115.700 -0.003 0.000 2.406 799 S HA -0.063 4.406 4.470 -0.002 0.000 0.228 799 S C 1.932 176.542 174.600 0.018 0.000 1.020 799 S CA 0.851 59.068 58.200 0.029 0.000 0.965 799 S CB -0.110 63.153 63.200 0.104 0.000 0.798 799 S HN 0.206 nan 8.310 nan 0.000 0.488 800 Q N 0.157 119.946 119.800 -0.018 0.000 2.482 800 Q HA 0.287 4.627 4.340 -0.002 0.000 0.209 800 Q C 0.613 176.658 176.000 0.075 0.000 0.961 800 Q CA 0.415 56.205 55.803 -0.022 0.000 0.945 800 Q CB -0.466 28.238 28.738 -0.058 0.000 1.012 800 Q HN 0.779 nan 8.270 nan 0.000 0.515 801 F N 0.271 120.230 119.950 0.016 0.000 2.641 801 F HA 0.138 4.664 4.527 -0.002 0.000 0.302 801 F C 0.911 176.696 175.800 -0.024 0.000 1.098 801 F CA -0.523 57.473 58.000 -0.005 0.000 1.318 801 F CB 0.810 39.806 39.000 -0.008 0.000 1.035 801 F HN -0.067 nan 8.300 nan 0.000 0.551 802 Q N 0.630 120.513 119.800 0.139 0.000 2.241 802 Q HA 0.278 4.617 4.340 -0.002 0.000 0.262 802 Q C -0.437 175.572 176.000 0.015 0.000 1.014 802 Q CA -0.518 55.314 55.803 0.048 0.000 0.885 802 Q CB 1.618 30.355 28.738 -0.002 0.000 1.311 802 Q HN 0.298 nan 8.270 nan 0.000 0.461 803 E N 2.884 123.077 120.200 -0.011 0.000 2.223 803 E HA 0.202 4.551 4.350 -0.002 0.000 0.282 803 E C -2.141 174.425 176.600 -0.056 0.000 1.046 803 E CA -1.603 54.779 56.400 -0.030 0.000 0.857 803 E CB 0.784 30.467 29.700 -0.028 0.000 1.055 803 E HN 0.136 nan 8.360 nan 0.000 0.409 804 P HA 0.106 nan 4.420 nan 0.000 0.286 804 P C -0.516 176.703 177.300 -0.135 0.000 1.321 804 P CA -0.406 62.623 63.100 -0.119 0.000 0.790 804 P CB 0.637 32.250 31.700 -0.145 0.000 0.897 805 L N 4.560 125.726 121.223 -0.096 0.000 2.939 805 L HA 0.336 4.675 4.340 -0.002 0.000 0.239 805 L C 0.661 177.465 176.870 -0.109 0.000 1.325 805 L CA 0.758 55.560 54.840 -0.063 0.000 1.170 805 L CB -0.757 41.315 42.059 0.020 0.000 1.538 805 L HN 0.457 nan 8.230 nan 0.000 0.452 806 M N 0.722 120.170 119.600 -0.254 0.000 2.457 806 M HA 0.284 4.763 4.480 -0.002 0.000 0.186 806 M C -1.582 174.458 176.300 -0.433 0.000 0.962 806 M CA 0.066 55.107 55.300 -0.432 0.000 0.909 806 M CB 1.004 33.259 32.600 -0.575 0.000 2.798 806 M HN 0.255 nan 8.290 nan 0.000 0.412 807 E N 3.291 123.179 120.200 -0.521 0.000 2.369 807 E HA 0.684 5.033 4.350 -0.002 0.000 0.270 807 E C -0.825 175.389 176.600 -0.643 0.000 0.909 807 E CA -0.983 54.940 56.400 -0.794 0.000 0.775 807 E CB 1.662 30.456 29.700 -1.511 0.000 1.270 807 E HN 0.557 nan 8.360 nan 0.000 0.445 808 F N 0.363 120.319 119.950 0.010 0.000 2.667 808 F HA -0.259 4.267 4.527 -0.002 0.000 0.250 808 F C 0.551 176.422 175.800 0.118 0.000 1.029 808 F CA -0.114 57.944 58.000 0.096 0.000 0.944 808 F CB -1.698 37.339 39.000 0.062 0.000 0.994 808 F HN 0.342 nan 8.300 nan 0.000 0.842 809 S N 0.443 116.276 115.700 0.220 0.000 2.707 809 S HA 0.692 5.161 4.470 -0.002 0.000 0.276 809 S C 1.119 175.885 174.600 0.276 0.000 1.179 809 S CA -0.294 58.019 58.200 0.188 0.000 0.992 809 S CB 1.799 65.044 63.200 0.075 0.000 1.030 809 S HN 0.566 nan 8.310 nan 0.000 0.554 810 G N -0.430 108.542 108.800 0.288 0.000 3.327 810 G HA2 0.474 4.433 3.960 -0.002 0.000 0.240 810 G HA3 0.474 4.433 3.960 -0.002 0.000 0.240 810 G C 0.455 175.530 174.900 0.290 0.000 1.222 810 G CA 0.029 45.292 45.100 0.272 0.000 0.871 810 G HN 1.067 nan 8.290 nan 0.000 0.525 811 A N -0.639 122.327 122.820 0.244 0.000 2.346 811 A HA 0.500 4.819 4.320 -0.002 0.000 0.252 811 A C 0.798 178.511 177.584 0.215 0.000 1.089 811 A CA -0.303 51.803 52.037 0.114 0.000 0.797 811 A CB 0.157 18.890 19.000 -0.446 0.000 1.047 811 A HN 0.356 nan 8.150 nan 0.000 0.494 812 C N -0.059 119.326 119.300 0.142 0.000 2.639 812 C HA 0.412 4.871 4.460 -0.002 0.000 0.360 812 C C 1.243 176.347 174.990 0.189 0.000 1.351 812 C CA -0.519 58.584 59.018 0.141 0.000 2.408 812 C CB 0.131 27.928 27.740 0.095 0.000 2.517 812 C HN 0.792 nan 8.230 nan 0.000 0.696 813 S N 0.832 116.607 115.700 0.126 0.000 2.516 813 S HA 0.405 4.874 4.470 -0.002 0.000 0.282 813 S C 1.067 175.731 174.600 0.106 0.000 1.286 813 S CA 0.871 59.139 58.200 0.113 0.000 1.066 813 S CB 0.083 63.304 63.200 0.036 0.000 0.884 813 S HN 1.572 nan 8.310 nan 0.000 0.491 814 G N 2.010 110.885 108.800 0.125 0.000 2.221 814 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.265 814 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.265 814 G C 0.364 175.272 174.900 0.014 0.000 1.041 814 G CA -0.055 45.078 45.100 0.055 0.000 0.807 814 G HN 0.937 nan 8.290 nan 0.000 0.502 815 C N 0.379 119.668 119.300 -0.019 0.000 2.634 815 C HA 0.512 4.971 4.460 -0.002 0.000 0.417 815 C C 2.138 177.086 174.990 -0.070 0.000 1.334 815 C CA 0.952 59.928 59.018 -0.070 0.000 1.829 815 C CB 0.087 27.708 27.740 -0.199 0.000 2.665 815 C HN 1.079 nan 8.230 nan 0.000 0.614 816 G N 3.160 111.946 108.800 -0.023 0.000 2.985 816 G HA2 0.054 4.013 3.960 -0.002 0.000 0.209 816 G HA3 0.054 4.013 3.960 -0.002 0.000 0.209 816 G C 1.176 176.154 174.900 0.129 0.000 1.165 816 G CA 0.291 45.409 45.100 0.031 0.000 0.776 816 G HN 0.912 nan 8.290 nan 0.000 0.541 817 E N 0.414 120.642 120.200 0.047 0.000 2.083 817 E HA -0.067 4.282 4.350 -0.002 0.000 0.193 817 E C 2.815 179.439 176.600 0.041 0.000 0.950 817 E CA 1.138 57.612 56.400 0.124 0.000 0.849 817 E CB -0.457 29.366 29.700 0.205 0.000 0.827 817 E HN 0.384 nan 8.360 nan 0.000 0.465 818 T N 0.408 114.742 114.554 -0.368 0.000 2.721 818 T HA -0.160 4.189 4.350 -0.002 0.000 0.268 818 T C -1.071 173.452 174.700 -0.295 0.000 1.038 818 T CA 1.293 63.064 62.100 -0.548 0.000 1.145 818 T CB -1.692 66.636 68.868 -0.900 0.000 0.858 818 T HN -0.047 nan 8.240 nan 0.000 0.459 819 P HA -0.106 nan 4.420 nan 0.000 0.216 819 P C 0.892 178.023 177.300 -0.281 0.000 1.153 819 P CA 1.241 64.172 63.100 -0.281 0.000 0.858 819 P CB -0.244 31.268 31.700 -0.313 0.000 0.789 820 Y N -0.481 119.716 120.300 -0.171 0.000 2.092 820 Y HA -0.192 4.357 4.550 -0.002 0.000 0.282 820 Y C 2.480 178.314 175.900 -0.110 0.000 1.126 820 Y CA 1.308 59.353 58.100 -0.091 0.000 1.111 820 Y CB -1.743 36.804 38.460 0.146 0.000 0.987 820 Y HN -0.214 nan 8.280 nan 0.000 0.489 821 V N -0.043 119.897 119.914 0.044 0.000 2.317 821 V HA -0.362 3.757 4.120 -0.002 0.000 0.251 821 V C 2.287 178.349 176.094 -0.053 0.000 1.065 821 V CA 2.346 64.612 62.300 -0.056 0.000 1.049 821 V CB -1.086 30.810 31.823 0.122 0.000 0.651 821 V HN 0.387 nan 8.190 nan 0.000 0.450 822 R N 0.392 120.813 120.500 -0.132 0.000 2.097 822 R HA -0.170 4.169 4.340 -0.002 0.000 0.236 822 R C 2.423 178.619 176.300 -0.174 0.000 1.135 822 R CA 2.494 58.485 56.100 -0.183 0.000 0.934 822 R CB -0.750 29.404 30.300 -0.244 0.000 0.846 822 R HN 0.505 nan 8.270 nan 0.000 0.431 823 V N 0.891 120.672 119.914 -0.223 0.000 2.720 823 V HA -0.140 3.979 4.120 -0.002 0.000 0.256 823 V C 1.947 177.945 176.094 -0.161 0.000 1.082 823 V CA 1.631 63.780 62.300 -0.252 0.000 1.101 823 V CB -0.264 31.288 31.823 -0.451 0.000 0.693 823 V HN 0.399 nan 8.190 nan 0.000 0.479 824 I N 1.075 121.573 120.570 -0.120 0.000 2.546 824 I HA -0.145 4.024 4.170 -0.002 0.000 0.255 824 I C 2.534 178.616 176.117 -0.058 0.000 1.163 824 I CA 1.752 62.972 61.300 -0.132 0.000 1.457 824 I CB -0.471 37.360 38.000 -0.282 0.000 1.092 824 I HN 0.564 nan 8.210 nan 0.000 0.434 825 T N -2.423 112.105 114.554 -0.043 0.000 3.023 825 T HA -0.102 4.247 4.350 -0.002 0.000 0.266 825 T C 1.623 176.284 174.700 -0.065 0.000 1.093 825 T CA 0.550 62.649 62.100 -0.001 0.000 1.129 825 T CB -0.194 68.688 68.868 0.023 0.000 0.899 825 T HN 0.355 nan 8.240 nan 0.000 0.491 826 Q N -0.097 119.630 119.800 -0.122 0.000 2.482 826 Q HA 0.228 4.567 4.340 -0.002 0.000 0.209 826 Q C 1.121 176.991 176.000 -0.215 0.000 0.961 826 Q CA 0.406 56.127 55.803 -0.136 0.000 0.945 826 Q CB -0.007 28.654 28.738 -0.128 0.000 1.012 826 Q HN 0.407 nan 8.270 nan 0.000 0.515 827 L N -2.765 118.234 121.223 -0.374 0.000 2.653 827 L HA 0.158 4.497 4.340 -0.002 0.000 0.230 827 L C 0.625 176.930 176.870 -0.942 0.000 1.055 827 L CA 0.911 55.287 54.840 -0.773 0.000 0.880 827 L CB 0.598 41.912 42.059 -1.243 0.000 1.195 827 L HN 0.114 nan 8.230 nan 0.000 0.492 828 F N -2.495 117.459 119.950 0.006 0.000 2.880 828 F HA 0.371 4.897 4.527 -0.002 0.000 0.346 828 F C 2.117 177.941 175.800 0.039 0.000 1.054 828 F CA 0.198 58.233 58.000 0.057 0.000 1.151 828 F CB -0.865 38.216 39.000 0.134 0.000 1.066 828 F HN -0.096 nan 8.300 nan 0.000 0.566 829 G N 1.850 110.731 108.800 0.134 0.000 2.656 829 G HA2 -0.386 3.573 3.960 -0.002 0.000 0.223 829 G HA3 -0.386 3.573 3.960 -0.002 0.000 0.223 829 G C 1.649 176.599 174.900 0.083 0.000 1.130 829 G CA 1.841 47.001 45.100 0.100 0.000 0.758 829 G HN 0.476 nan 8.290 nan 0.000 0.608 830 E N 1.284 121.526 120.200 0.071 0.000 2.338 830 E HA -0.170 4.179 4.350 -0.002 0.000 0.197 830 E C 1.782 178.421 176.600 0.064 0.000 1.007 830 E CA 1.086 57.518 56.400 0.053 0.000 0.849 830 E CB -0.196 29.531 29.700 0.046 0.000 0.774 830 E HN 0.718 nan 8.360 nan 0.000 0.506 831 R N 0.743 121.314 120.500 0.118 0.000 2.734 831 R HA 0.380 4.719 4.340 -0.002 0.000 0.395 831 R C 0.194 176.608 176.300 0.190 0.000 1.096 831 R CA -0.361 55.822 56.100 0.138 0.000 1.071 831 R CB -0.199 30.210 30.300 0.181 0.000 1.348 831 R HN 0.105 nan 8.270 nan 0.000 0.600 832 M N -1.095 118.580 119.600 0.125 0.000 2.572 832 M HA 0.597 5.076 4.480 -0.002 0.000 0.299 832 M C -1.694 174.628 176.300 0.037 0.000 1.205 832 M CA -0.940 54.487 55.300 0.212 0.000 0.876 832 M CB 1.928 34.694 32.600 0.278 0.000 1.728 832 M HN -0.165 nan 8.290 nan 0.000 0.458 833 F N 1.867 121.844 119.950 0.045 0.000 2.458 833 F HA 0.735 5.261 4.527 -0.001 0.000 0.330 833 F C -0.323 175.392 175.800 -0.142 0.000 1.082 833 F CA -0.725 57.233 58.000 -0.069 0.000 0.995 833 F CB 1.802 40.740 39.000 -0.104 0.000 1.170 833 F HN 0.461 nan 8.300 nan 0.000 0.478 834 I N 2.165 122.643 120.570 -0.152 0.000 2.478 834 I HA 0.473 4.642 4.170 -0.002 0.000 0.287 834 I C -0.737 175.041 176.117 -0.566 0.000 1.042 834 I CA -0.854 60.179 61.300 -0.446 0.000 1.067 834 I CB 1.926 39.502 38.000 -0.708 0.000 1.233 834 I HN 0.674 nan 8.210 nan 0.000 0.431 835 A N 5.679 128.235 122.820 -0.441 0.000 2.838 835 A HA 0.334 4.653 4.320 -0.002 0.000 0.337 835 A C -0.269 177.103 177.584 -0.352 0.000 1.383 835 A CA -0.508 51.312 52.037 -0.361 0.000 0.985 835 A CB -0.154 18.715 19.000 -0.219 0.000 1.157 835 A HN 0.693 nan 8.150 nan 0.000 0.497 836 N N 2.105 120.453 118.700 -0.586 0.000 2.420 836 N HA 0.337 5.076 4.740 -0.002 0.000 0.262 836 N C 0.406 175.751 175.510 -0.275 0.000 1.144 836 N CA 0.291 53.117 53.050 -0.374 0.000 0.952 836 N CB 1.196 39.456 38.487 -0.377 0.000 1.081 836 N HN 0.663 nan 8.380 nan 0.000 0.480 837 A N 3.120 125.745 122.820 -0.326 0.000 2.466 837 A HA 0.194 4.513 4.320 -0.002 0.000 0.238 837 A C 0.581 178.138 177.584 -0.046 0.000 1.074 837 A CA -0.039 51.788 52.037 -0.350 0.000 0.774 837 A CB 0.019 18.469 19.000 -0.916 0.000 1.015 837 A HN 0.644 nan 8.150 nan 0.000 0.498 838 T N 0.879 115.517 114.554 0.139 0.000 2.932 838 T HA 0.521 4.870 4.350 -0.002 0.000 0.312 838 T C 0.786 175.461 174.700 -0.042 0.000 1.071 838 T CA 0.973 63.111 62.100 0.064 0.000 1.128 838 T CB 0.630 69.529 68.868 0.050 0.000 0.984 838 T HN 2.027 nan 8.240 nan 0.000 0.549 839 G N -0.070 108.648 108.800 -0.137 0.000 2.315 839 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.296 839 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.296 839 G C 0.865 175.690 174.900 -0.126 0.000 1.289 839 G CA -0.306 44.706 45.100 -0.146 0.000 0.996 839 G HN 0.732 nan 8.290 nan 0.000 0.487 840 C N 0.683 119.937 119.300 -0.077 0.000 2.398 840 C HA -0.064 4.395 4.460 -0.002 0.000 0.276 840 C C 3.455 178.092 174.990 -0.589 0.000 1.222 840 C CA 2.992 61.952 59.018 -0.097 0.000 1.746 840 C CB -1.495 26.346 27.740 0.169 0.000 2.039 840 C HN 1.271 nan 8.230 nan 0.000 0.470 841 S N 0.996 116.439 115.700 -0.428 0.000 2.420 841 S HA -0.193 4.276 4.470 -0.002 0.000 0.237 841 S C 1.623 175.726 174.600 -0.829 0.000 1.023 841 S CA 1.917 59.628 58.200 -0.815 0.000 0.991 841 S CB -0.649 62.521 63.200 -0.051 0.000 0.792 841 S HN 0.812 nan 8.310 nan 0.000 0.488 842 S N 0.051 115.542 115.700 -0.348 0.000 2.511 842 S HA 0.290 4.759 4.470 -0.002 0.000 0.214 842 S C 1.545 176.044 174.600 -0.168 0.000 0.997 842 S CA -0.256 57.930 58.200 -0.023 0.000 0.908 842 S CB -0.241 63.049 63.200 0.150 0.000 0.803 842 S HN 0.363 nan 8.310 nan 0.000 0.504 843 I N 1.885 122.280 120.570 -0.291 0.000 2.494 843 I HA 0.120 4.289 4.170 -0.002 0.000 0.250 843 I C 2.239 178.324 176.117 -0.054 0.000 1.112 843 I CA 0.521 61.736 61.300 -0.143 0.000 1.438 843 I CB -1.426 36.532 38.000 -0.070 0.000 1.111 843 I HN 0.672 nan 8.210 nan 0.000 0.431 844 W N 0.545 121.881 121.300 0.061 0.000 3.180 844 W HA 0.361 5.020 4.660 -0.002 0.000 0.254 844 W C 1.201 177.731 176.519 0.018 0.000 1.318 844 W CA 0.559 57.931 57.345 0.045 0.000 1.608 844 W CB -0.729 28.759 29.460 0.047 0.000 1.124 844 W HN 0.120 nan 8.180 nan 0.000 0.694 845 G N 0.316 109.132 108.800 0.026 0.000 2.759 845 G HA2 0.306 4.265 3.960 -0.002 0.000 0.208 845 G HA3 0.306 4.265 3.960 -0.002 0.000 0.208 845 G C 1.032 175.713 174.900 -0.365 0.000 1.076 845 G CA 0.548 45.648 45.100 0.001 0.000 0.789 845 G HN 0.202 nan 8.290 nan 0.000 0.546 846 A N 0.140 122.723 122.820 -0.396 0.000 2.624 846 A HA 0.591 4.910 4.320 -0.002 0.000 0.287 846 A C 0.563 178.014 177.584 -0.222 0.000 1.087 846 A CA -0.033 51.740 52.037 -0.439 0.000 0.964 846 A CB 0.297 18.939 19.000 -0.598 0.000 1.231 846 A HN 0.054 nan 8.150 nan 0.000 0.551 847 S N 2.091 117.712 115.700 -0.132 0.000 2.414 847 S HA 0.475 4.944 4.470 -0.002 0.000 0.290 847 S C 0.766 175.289 174.600 -0.129 0.000 1.160 847 S CA 0.083 58.231 58.200 -0.087 0.000 1.069 847 S CB 0.471 63.666 63.200 -0.008 0.000 1.012 847 S HN 0.773 nan 8.310 nan 0.000 0.510 848 A N 5.574 128.259 122.820 -0.225 0.000 2.531 848 A HA 0.300 4.619 4.320 -0.002 0.000 0.236 848 A C -0.809 176.716 177.584 -0.099 0.000 1.062 848 A CA -0.816 51.012 52.037 -0.349 0.000 0.760 848 A CB -0.063 18.667 19.000 -0.451 0.000 0.995 848 A HN 0.635 nan 8.150 nan 0.000 0.501 849 P HA 0.096 nan 4.420 nan 0.000 0.268 849 P C 0.177 177.545 177.300 0.112 0.000 1.329 849 P CA 0.092 63.215 63.100 0.038 0.000 0.899 849 P CB 0.301 32.113 31.700 0.186 0.000 1.378 850 S N 1.230 116.973 115.700 0.072 0.000 2.489 850 S HA 0.502 4.971 4.470 -0.002 0.000 0.277 850 S C 0.067 174.728 174.600 0.101 0.000 1.230 850 S CA -0.391 57.899 58.200 0.149 0.000 1.053 850 S CB -0.191 63.105 63.200 0.159 0.000 0.955 850 S HN -0.109 nan 8.310 nan 0.000 0.488 851 M N 7.820 127.521 119.600 0.167 0.000 1.999 851 M HA 0.306 4.785 4.480 -0.002 0.000 0.299 851 M C -1.934 174.443 176.300 0.129 0.000 0.900 851 M CA -2.500 52.868 55.300 0.114 0.000 0.904 851 M CB 1.190 33.883 32.600 0.156 0.000 1.477 851 M HN 0.408 nan 8.290 nan 0.000 0.403 852 P HA -0.156 nan 4.420 nan 0.000 0.216 852 P C 0.123 177.363 177.300 -0.100 0.000 1.150 852 P CA 1.332 64.420 63.100 -0.020 0.000 0.837 852 P CB -0.028 31.646 31.700 -0.043 0.000 0.786 853 Y N 1.842 122.112 120.300 -0.050 0.000 2.597 853 Y HA 0.051 4.600 4.550 -0.002 0.000 0.336 853 Y C 1.651 177.538 175.900 -0.022 0.000 1.216 853 Y CA 0.441 58.522 58.100 -0.032 0.000 1.463 853 Y CB 0.180 38.621 38.460 -0.031 0.000 1.303 853 Y HN 0.093 nan 8.280 nan 0.000 0.576 854 K N -0.699 119.762 120.400 0.100 0.000 2.469 854 K HA 0.754 5.073 4.320 -0.002 0.000 0.268 854 K C -1.049 175.581 176.600 0.050 0.000 1.027 854 K CA -1.113 55.207 56.287 0.055 0.000 0.893 854 K CB 1.552 34.041 32.500 -0.019 0.000 1.460 854 K HN 0.507 nan 8.250 nan 0.000 0.449 855 T N -1.280 113.293 114.554 0.032 0.000 2.943 855 T HA 0.304 4.653 4.350 -0.002 0.000 0.284 855 T C 0.184 174.886 174.700 0.004 0.000 1.015 855 T CA -0.708 61.404 62.100 0.021 0.000 1.042 855 T CB 0.884 69.763 68.868 0.018 0.000 1.055 855 T HN 0.755 nan 8.240 nan 0.000 0.500 856 N N 1.202 119.903 118.700 0.001 0.000 2.386 856 N HA 0.155 4.894 4.740 -0.002 0.000 0.291 856 N C 1.384 176.890 175.510 -0.006 0.000 1.309 856 N CA -0.684 52.362 53.050 -0.007 0.000 0.948 856 N CB 0.127 38.612 38.487 -0.005 0.000 1.083 856 N HN 0.800 nan 8.380 nan 0.000 0.527 857 R N -1.546 118.949 120.500 -0.008 0.000 2.237 857 R HA 0.071 4.410 4.340 -0.002 0.000 0.219 857 R C 0.617 176.914 176.300 -0.005 0.000 1.080 857 R CA 0.939 57.034 56.100 -0.009 0.000 0.995 857 R CB -0.621 29.671 30.300 -0.012 0.000 0.875 857 R HN 0.337 nan 8.270 nan 0.000 0.462 858 L N 0.139 121.361 121.223 -0.002 0.000 2.607 858 L HA 0.372 4.711 4.340 -0.002 0.000 0.228 858 L C 1.231 178.100 176.870 -0.002 0.000 1.123 858 L CA 1.004 55.843 54.840 -0.001 0.000 0.890 858 L CB 0.622 42.683 42.059 0.003 0.000 1.103 858 L HN 0.521 nan 8.230 nan 0.000 0.468 859 G N -0.852 107.948 108.800 -0.001 0.000 2.141 859 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.231 859 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.231 859 G C 0.302 175.200 174.900 -0.003 0.000 0.984 859 G CA -0.257 44.843 45.100 -0.001 0.000 0.660 859 G HN 0.383 nan 8.290 nan 0.000 0.525 860 Q N -0.193 119.606 119.800 -0.001 0.000 2.235 860 Q HA 0.610 4.949 4.340 -0.002 0.000 0.250 860 Q C 0.484 176.487 176.000 0.004 0.000 0.909 860 Q CA 0.301 56.102 55.803 -0.003 0.000 0.910 860 Q CB 1.844 30.584 28.738 0.004 0.000 1.223 860 Q HN 0.764 nan 8.270 nan 0.000 0.432 861 G N 1.900 110.699 108.800 -0.003 0.000 2.559 861 G HA2 0.409 4.368 3.960 -0.002 0.000 0.291 861 G HA3 0.409 4.368 3.960 -0.002 0.000 0.291 861 G C -3.060 171.840 174.900 0.001 0.000 1.424 861 G CA -1.099 44.014 45.100 0.022 0.000 0.786 861 G HN 0.297 nan 8.290 nan 0.000 0.485 862 P HA 0.366 nan 4.420 nan 0.000 0.263 862 P C -0.035 177.229 177.300 -0.059 0.000 1.195 862 P CA 0.223 63.327 63.100 0.007 0.000 0.762 862 P CB 1.008 32.788 31.700 0.133 0.000 0.799 863 A N 4.367 127.064 122.820 -0.205 0.000 2.671 863 A HA 0.158 4.477 4.320 -0.002 0.000 0.306 863 A C -0.485 177.033 177.584 -0.110 0.000 1.473 863 A CA -0.445 51.465 52.037 -0.211 0.000 1.155 863 A CB -0.830 17.865 19.000 -0.508 0.000 1.123 863 A HN 0.591 nan 8.150 nan 0.000 0.545 864 W N 2.377 123.538 121.300 -0.232 0.000 2.251 864 W HA 0.528 5.187 4.660 -0.001 0.000 0.329 864 W C 0.474 176.924 176.519 -0.116 0.000 1.234 864 W CA 1.038 58.219 57.345 -0.273 0.000 1.228 864 W CB 1.390 30.580 29.460 -0.449 0.000 1.135 864 W HN 0.844 nan 8.180 nan 0.000 0.576 865 G N 3.309 111.723 108.800 -0.642 0.000 2.752 865 G HA2 0.251 4.210 3.960 -0.002 0.000 0.298 865 G HA3 0.251 4.210 3.960 -0.002 0.000 0.298 865 G C -2.264 172.275 174.900 -0.602 0.000 1.434 865 G CA -1.023 43.891 45.100 -0.311 0.000 1.004 865 G HN 0.445 nan 8.290 nan 0.000 0.560 866 N N 0.927 119.462 118.700 -0.274 0.000 2.524 866 N HA 0.475 5.214 4.740 -0.002 0.000 0.261 866 N C 0.794 176.167 175.510 -0.228 0.000 0.998 866 N CA -0.008 52.896 53.050 -0.243 0.000 0.915 866 N CB 2.258 40.725 38.487 -0.033 0.000 1.187 866 N HN 0.348 nan 8.380 nan 0.000 0.507 867 S N 3.432 118.806 115.700 -0.544 0.000 2.288 867 S HA 0.417 4.886 4.470 -0.002 0.000 0.198 867 S C 0.392 174.810 174.600 -0.303 0.000 1.021 867 S CA 0.535 58.296 58.200 -0.731 0.000 0.973 867 S CB -0.131 62.238 63.200 -1.385 0.000 0.946 867 S HN 0.496 nan 8.310 nan 0.000 0.470 868 L N -1.374 119.723 121.223 -0.210 0.000 2.223 868 L HA 0.491 4.830 4.340 -0.002 0.000 0.243 868 L C 0.302 177.234 176.870 0.104 0.000 1.105 868 L CA -0.691 54.134 54.840 -0.026 0.000 0.943 868 L CB 0.811 42.865 42.059 -0.008 0.000 1.542 868 L HN 0.358 nan 8.230 nan 0.000 0.437 869 F N 0.948 120.909 119.950 0.018 0.000 2.473 869 F HA 0.026 4.552 4.527 -0.001 0.000 0.294 869 F C 1.959 177.898 175.800 0.232 0.000 1.103 869 F CA 0.889 58.946 58.000 0.095 0.000 1.442 869 F CB 0.148 39.228 39.000 0.134 0.000 1.097 869 F HN 0.561 nan 8.300 nan 0.000 0.547 870 E N -0.061 120.194 120.200 0.092 0.000 2.474 870 E HA 0.010 4.359 4.350 -0.002 0.000 0.195 870 E C -0.172 176.500 176.600 0.120 0.000 1.039 870 E CA 0.585 56.994 56.400 0.015 0.000 0.881 870 E CB -0.488 29.188 29.700 -0.039 0.000 0.970 870 E HN 0.542 nan 8.360 nan 0.000 0.486 871 D N -0.019 120.466 120.400 0.142 0.000 2.673 871 D HA 0.273 4.912 4.640 -0.002 0.000 0.278 871 D C 1.151 177.568 176.300 0.195 0.000 1.393 871 D CA 0.119 54.208 54.000 0.148 0.000 0.805 871 D CB 0.369 41.202 40.800 0.055 0.000 1.110 871 D HN 0.060 nan 8.370 nan 0.000 0.476 872 A N 1.197 124.130 122.820 0.188 0.000 1.873 872 A HA 0.016 4.335 4.320 -0.002 0.000 0.218 872 A C 2.382 180.085 177.584 0.197 0.000 1.193 872 A CA 2.452 54.493 52.037 0.007 0.000 0.629 872 A CB -0.968 17.609 19.000 -0.706 0.000 0.826 872 A HN 0.404 nan 8.150 nan 0.000 0.447 873 A N -0.364 122.717 122.820 0.436 0.000 1.851 873 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 873 A C 1.867 179.607 177.584 0.260 0.000 1.195 873 A CA 2.115 54.370 52.037 0.362 0.000 0.622 873 A CB -0.782 18.439 19.000 0.368 0.000 0.831 873 A HN 0.547 nan 8.150 nan 0.000 0.444 874 E N -1.267 119.068 120.200 0.226 0.000 2.065 874 E HA -0.252 4.097 4.350 -0.002 0.000 0.201 874 E C 1.880 178.650 176.600 0.282 0.000 1.016 874 E CA 1.774 58.302 56.400 0.213 0.000 0.818 874 E CB -0.551 29.230 29.700 0.135 0.000 0.749 874 E HN 0.683 nan 8.360 nan 0.000 0.453 875 Y N 0.920 121.269 120.300 0.082 0.000 2.053 875 Y HA -0.225 4.324 4.550 -0.002 0.000 0.277 875 Y C 2.401 178.312 175.900 0.018 0.000 1.159 875 Y CA 1.911 60.028 58.100 0.027 0.000 1.125 875 Y CB -1.002 37.441 38.460 -0.028 0.000 0.969 875 Y HN 0.078 nan 8.280 nan 0.000 0.492 876 G N -1.193 107.599 108.800 -0.013 0.000 2.432 876 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.219 876 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.219 876 G C 1.690 176.559 174.900 -0.051 0.000 1.135 876 G CA 0.707 45.729 45.100 -0.131 0.000 0.767 876 G HN 0.488 nan 8.290 nan 0.000 0.550 877 F N 2.463 122.376 119.950 -0.062 0.000 2.216 877 F HA 0.071 4.597 4.527 -0.002 0.000 0.300 877 F C 2.460 178.211 175.800 -0.081 0.000 1.085 877 F CA 1.214 59.179 58.000 -0.058 0.000 1.326 877 F CB -0.322 38.677 39.000 -0.002 0.000 1.027 877 F HN 0.102 nan 8.300 nan 0.000 0.497 878 G N 0.254 109.027 108.800 -0.044 0.000 2.402 878 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.216 878 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.216 878 G C 1.677 176.433 174.900 -0.240 0.000 1.162 878 G CA 0.920 45.947 45.100 -0.121 0.000 0.777 878 G HN 0.380 nan 8.290 nan 0.000 0.539 879 M N 0.723 120.145 119.600 -0.297 0.000 2.213 879 M HA -0.074 4.405 4.480 -0.002 0.000 0.263 879 M C 2.385 178.412 176.300 -0.456 0.000 1.062 879 M CA 1.124 56.180 55.300 -0.406 0.000 1.105 879 M CB -0.304 31.994 32.600 -0.503 0.000 1.385 879 M HN 0.308 nan 8.290 nan 0.000 0.417 880 N N 0.737 119.187 118.700 -0.417 0.000 2.188 880 N HA -0.117 4.622 4.740 -0.002 0.000 0.184 880 N C 1.614 176.919 175.510 -0.341 0.000 1.018 880 N CA 1.326 54.142 53.050 -0.389 0.000 0.858 880 N CB -0.013 38.238 38.487 -0.393 0.000 0.989 880 N HN 0.381 nan 8.380 nan 0.000 0.426 881 M N 0.107 119.453 119.600 -0.423 0.000 2.132 881 M HA -0.115 4.364 4.480 -0.002 0.000 0.263 881 M C 2.498 178.737 176.300 -0.101 0.000 1.065 881 M CA 1.166 56.294 55.300 -0.287 0.000 1.122 881 M CB -0.319 32.084 32.600 -0.329 0.000 1.365 881 M HN 0.122 nan 8.290 nan 0.000 0.411 882 S N 0.411 116.025 115.700 -0.142 0.000 2.351 882 S HA -0.184 4.285 4.470 -0.002 0.000 0.220 882 S C 1.982 176.546 174.600 -0.060 0.000 1.035 882 S CA 1.380 59.527 58.200 -0.088 0.000 1.031 882 S CB -0.043 63.089 63.200 -0.114 0.000 0.928 882 S HN 0.294 nan 8.310 nan 0.000 0.433 883 M N 0.315 119.842 119.600 -0.120 0.000 2.082 883 M HA -0.060 4.419 4.480 -0.002 0.000 0.258 883 M C 1.991 178.297 176.300 0.010 0.000 1.069 883 M CA 1.459 56.716 55.300 -0.071 0.000 1.102 883 M CB -1.761 30.747 32.600 -0.154 0.000 1.336 883 M HN 0.525 nan 8.290 nan 0.000 0.404 884 F N 1.102 120.980 119.950 -0.119 0.000 2.046 884 F HA -0.199 4.327 4.527 -0.002 0.000 0.297 884 F C 2.429 178.206 175.800 -0.038 0.000 1.123 884 F CA 2.124 60.074 58.000 -0.082 0.000 1.199 884 F CB -0.693 38.232 39.000 -0.125 0.000 0.972 884 F HN 0.156 nan 8.300 nan 0.000 0.474 885 A N 0.496 123.348 122.820 0.054 0.000 1.917 885 A HA -0.253 4.066 4.320 -0.002 0.000 0.219 885 A C 2.326 179.872 177.584 -0.063 0.000 1.182 885 A CA 2.231 54.250 52.037 -0.031 0.000 0.633 885 A CB -0.773 18.244 19.000 0.029 0.000 0.819 885 A HN 0.545 nan 8.150 nan 0.000 0.448 886 R N -1.254 119.239 120.500 -0.011 0.000 2.080 886 R HA 0.049 4.388 4.340 -0.002 0.000 0.222 886 R C 2.468 178.808 176.300 0.066 0.000 1.107 886 R CA 1.013 57.147 56.100 0.057 0.000 0.980 886 R CB -0.248 30.086 30.300 0.057 0.000 0.879 886 R HN 0.461 nan 8.270 nan 0.000 0.439 887 R N -0.018 120.497 120.500 0.025 0.000 2.092 887 R HA -0.039 4.300 4.340 -0.002 0.000 0.231 887 R C 2.043 178.367 176.300 0.041 0.000 1.119 887 R CA 1.575 57.727 56.100 0.087 0.000 0.970 887 R CB -0.356 30.004 30.300 0.099 0.000 0.864 887 R HN 0.170 nan 8.270 nan 0.000 0.440 888 T N -0.124 114.332 114.554 -0.163 0.000 2.833 888 T HA -0.183 4.166 4.350 -0.002 0.000 0.269 888 T C 1.581 176.268 174.700 -0.021 0.000 1.054 888 T CA 1.223 63.189 62.100 -0.223 0.000 1.135 888 T CB -0.296 68.238 68.868 -0.557 0.000 0.869 888 T HN 0.474 nan 8.240 nan 0.000 0.466 889 H N 0.286 119.294 119.070 -0.103 0.000 2.270 889 H HA -0.088 4.467 4.556 -0.002 0.000 0.299 889 H C 2.397 177.706 175.328 -0.031 0.000 1.077 889 H CA 1.286 57.299 56.048 -0.058 0.000 1.294 889 H CB -0.183 29.550 29.762 -0.047 0.000 1.371 889 H HN 0.172 nan 8.280 nan 0.000 0.491 890 L N 1.360 122.569 121.223 -0.024 0.000 1.990 890 L HA -0.205 4.134 4.340 -0.002 0.000 0.213 890 L C 2.677 179.508 176.870 -0.065 0.000 1.072 890 L CA 2.229 56.991 54.840 -0.131 0.000 0.755 890 L CB -1.208 40.794 42.059 -0.094 0.000 0.889 890 L HN 0.396 nan 8.230 nan 0.000 0.432 891 A N -0.964 121.930 122.820 0.122 0.000 1.948 891 A HA -0.269 4.050 4.320 -0.002 0.000 0.220 891 A C 2.026 179.662 177.584 0.087 0.000 1.177 891 A CA 2.127 54.303 52.037 0.230 0.000 0.636 891 A CB -0.942 18.203 19.000 0.242 0.000 0.815 891 A HN 0.655 nan 8.150 nan 0.000 0.449 892 D N -0.679 119.750 120.400 0.048 0.000 2.224 892 D HA -0.049 4.590 4.640 -0.002 0.000 0.205 892 D C 1.649 177.955 176.300 0.010 0.000 0.965 892 D CA 0.858 54.879 54.000 0.035 0.000 0.852 892 D CB -0.065 40.768 40.800 0.055 0.000 0.947 892 D HN 0.325 nan 8.370 nan 0.000 0.494 893 L N 0.995 122.201 121.223 -0.030 0.000 2.131 893 L HA 0.038 4.377 4.340 -0.002 0.000 0.206 893 L C 2.497 179.327 176.870 -0.068 0.000 1.087 893 L CA 0.815 55.615 54.840 -0.066 0.000 0.767 893 L CB -0.963 41.009 42.059 -0.145 0.000 0.917 893 L HN -0.098 nan 8.230 nan 0.000 0.441 894 A N -0.275 122.497 122.820 -0.080 0.000 1.908 894 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 894 A C 2.503 180.073 177.584 -0.024 0.000 1.181 894 A CA 1.897 53.888 52.037 -0.076 0.000 0.627 894 A CB -0.901 18.061 19.000 -0.064 0.000 0.818 894 A HN 0.371 nan 8.150 nan 0.000 0.445 895 A N -0.449 122.371 122.820 0.001 0.000 1.902 895 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 895 A C 2.121 179.701 177.584 -0.007 0.000 1.181 895 A CA 1.782 53.821 52.037 0.004 0.000 0.623 895 A CB -0.414 18.593 19.000 0.012 0.000 0.818 895 A HN 0.541 nan 8.150 nan 0.000 0.443 896 K N -0.418 119.975 120.400 -0.012 0.000 2.009 896 K HA -0.128 4.191 4.320 -0.002 0.000 0.210 896 K C 2.297 178.886 176.600 -0.019 0.000 1.049 896 K CA 1.285 57.564 56.287 -0.014 0.000 0.929 896 K CB -0.381 32.110 32.500 -0.016 0.000 0.714 896 K HN 0.430 nan 8.250 nan 0.000 0.440 897 A N 1.308 124.111 122.820 -0.030 0.000 2.024 897 A HA -0.138 4.181 4.320 -0.002 0.000 0.220 897 A C 2.039 179.609 177.584 -0.023 0.000 1.164 897 A CA 1.216 53.234 52.037 -0.031 0.000 0.643 897 A CB -0.573 18.398 19.000 -0.048 0.000 0.806 897 A HN 0.214 nan 8.150 nan 0.000 0.451 898 L N -1.040 120.172 121.223 -0.019 0.000 2.201 898 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 898 L C 2.217 179.081 176.870 -0.010 0.000 1.105 898 L CA 1.276 56.109 54.840 -0.012 0.000 0.775 898 L CB -0.265 41.790 42.059 -0.008 0.000 0.913 898 L HN 0.498 nan 8.230 nan 0.000 0.440 899 E N -1.018 119.176 120.200 -0.010 0.000 2.452 899 E HA -0.006 4.343 4.350 -0.002 0.000 0.197 899 E C 1.271 177.866 176.600 -0.009 0.000 1.022 899 E CA 0.226 56.621 56.400 -0.008 0.000 0.890 899 E CB 0.413 30.109 29.700 -0.007 0.000 0.918 899 E HN 0.446 nan 8.360 nan 0.000 0.496 900 S N 1.618 117.312 115.700 -0.011 0.000 2.484 900 S HA -0.001 4.468 4.470 -0.002 0.000 0.256 900 S C 0.639 175.233 174.600 -0.010 0.000 1.223 900 S CA -0.246 57.947 58.200 -0.011 0.000 1.002 900 S CB 0.331 63.523 63.200 -0.014 0.000 1.043 900 S HN 0.062 nan 8.310 nan 0.000 0.517 901 D N 0.170 120.564 120.400 -0.010 0.000 2.894 901 D HA 0.443 5.082 4.640 -0.002 0.000 0.248 901 D C 0.319 176.613 176.300 -0.009 0.000 1.291 901 D CA -0.434 53.561 54.000 -0.008 0.000 0.840 901 D CB -0.622 40.173 40.800 -0.007 0.000 1.044 901 D HN 0.688 nan 8.370 nan 0.000 0.484 902 A N 0.774 123.587 122.820 -0.012 0.000 2.445 902 A HA 0.433 4.752 4.320 -0.002 0.000 0.242 902 A C 1.036 178.615 177.584 -0.008 0.000 1.075 902 A CA -0.244 51.785 52.037 -0.013 0.000 0.777 902 A CB 0.191 19.180 19.000 -0.018 0.000 1.013 902 A HN 0.468 nan 8.150 nan 0.000 0.493 903 S N 1.576 117.271 115.700 -0.008 0.000 2.592 903 S HA 0.267 4.736 4.470 -0.002 0.000 0.256 903 S C 1.414 176.014 174.600 0.000 0.000 1.369 903 S CA 0.009 58.207 58.200 -0.003 0.000 0.984 903 S CB 0.272 63.470 63.200 -0.003 0.000 0.919 903 S HN 1.408 nan 8.310 nan 0.000 0.576 904 G N 0.398 109.200 108.800 0.004 0.000 2.404 904 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.215 904 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.215 904 G C 0.910 175.819 174.900 0.015 0.000 1.174 904 G CA 0.861 45.966 45.100 0.008 0.000 0.780 904 G HN 0.745 nan 8.290 nan 0.000 0.537 905 D N 0.473 120.881 120.400 0.013 0.000 2.087 905 D HA -0.116 4.523 4.640 -0.002 0.000 0.192 905 D C 2.795 179.108 176.300 0.022 0.000 0.993 905 D CA 1.044 55.055 54.000 0.019 0.000 0.828 905 D CB -0.871 39.935 40.800 0.011 0.000 0.968 905 D HN 0.151 nan 8.370 nan 0.000 0.448 906 V N 1.101 121.019 119.914 0.008 0.000 2.324 906 V HA -0.280 3.839 4.120 -0.002 0.000 0.250 906 V C 2.316 178.411 176.094 0.002 0.000 1.060 906 V CA 1.774 64.072 62.300 -0.003 0.000 1.042 906 V CB -0.411 31.402 31.823 -0.016 0.000 0.650 906 V HN 0.225 nan 8.190 nan 0.000 0.450 907 K N -0.531 119.872 120.400 0.006 0.000 2.148 907 K HA -0.202 4.117 4.320 -0.002 0.000 0.204 907 K C 2.230 178.846 176.600 0.026 0.000 1.050 907 K CA 1.416 57.708 56.287 0.007 0.000 0.942 907 K CB -0.127 32.375 32.500 0.004 0.000 0.724 907 K HN 0.605 nan 8.250 nan 0.000 0.446 908 E N 0.937 121.166 120.200 0.048 0.000 2.028 908 E HA -0.186 4.163 4.350 -0.002 0.000 0.191 908 E C 1.985 178.676 176.600 0.152 0.000 0.988 908 E CA 1.093 57.544 56.400 0.085 0.000 0.799 908 E CB -0.041 29.720 29.700 0.101 0.000 0.755 908 E HN 0.266 nan 8.360 nan 0.000 0.447 909 A N 1.046 123.984 122.820 0.197 0.000 1.902 909 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 909 A C 2.145 179.847 177.584 0.197 0.000 1.181 909 A CA 1.147 53.403 52.037 0.364 0.000 0.623 909 A CB -0.665 18.453 19.000 0.197 0.000 0.818 909 A HN 0.358 nan 8.150 nan 0.000 0.443 910 L N -0.609 120.653 121.223 0.064 0.000 2.046 910 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 910 L C 2.581 179.479 176.870 0.047 0.000 1.077 910 L CA 2.495 57.343 54.840 0.013 0.000 0.747 910 L CB -0.621 41.418 42.059 -0.033 0.000 0.896 910 L HN 0.540 nan 8.230 nan 0.000 0.432 911 Q N -0.924 118.880 119.800 0.007 0.000 2.079 911 Q HA -0.063 4.276 4.340 -0.002 0.000 0.200 911 Q C 2.091 178.004 176.000 -0.144 0.000 0.974 911 Q CA 1.854 57.635 55.803 -0.037 0.000 0.840 911 Q CB -0.735 27.984 28.738 -0.032 0.000 0.898 911 Q HN 0.463 nan 8.270 nan 0.000 0.430 912 G N -0.405 108.213 108.800 -0.304 0.000 2.453 912 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.215 912 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.215 912 G C 1.169 175.642 174.900 -0.713 0.000 1.201 912 G CA 0.642 45.191 45.100 -0.917 0.000 0.784 912 G HN 0.582 nan 8.290 nan 0.000 0.545 913 W N 0.861 121.851 121.300 -0.517 0.000 2.302 913 W HA -0.172 4.487 4.660 -0.001 0.000 0.320 913 W C 2.242 178.650 176.519 -0.184 0.000 1.241 913 W CA 1.636 58.857 57.345 -0.207 0.000 1.264 913 W CB -0.549 28.837 29.460 -0.123 0.000 1.154 913 W HN 0.152 nan 8.180 nan 0.000 0.483 914 L N 1.327 122.630 121.223 0.133 0.000 2.081 914 L HA -0.197 4.142 4.340 -0.002 0.000 0.212 914 L C 2.512 179.236 176.870 -0.243 0.000 1.080 914 L CA 2.559 57.394 54.840 -0.010 0.000 0.754 914 L CB -1.491 40.630 42.059 0.102 0.000 0.893 914 L HN 0.170 nan 8.230 nan 0.000 0.433 915 A N -1.566 121.104 122.820 -0.250 0.000 1.968 915 A HA 0.118 4.437 4.320 -0.002 0.000 0.217 915 A C 1.934 179.359 177.584 -0.264 0.000 1.169 915 A CA 1.218 53.115 52.037 -0.233 0.000 0.638 915 A CB -0.763 18.104 19.000 -0.222 0.000 0.812 915 A HN 0.459 nan 8.150 nan 0.000 0.446 916 G N -0.127 108.465 108.800 -0.348 0.000 3.899 916 G HA2 0.261 4.220 3.960 -0.002 0.000 0.293 916 G HA3 0.261 4.220 3.960 -0.002 0.000 0.293 916 G C 0.966 175.590 174.900 -0.460 0.000 1.054 916 G CA 0.455 45.374 45.100 -0.301 0.000 0.846 916 G HN 0.643 nan 8.290 nan 0.000 0.525 917 K N 0.095 120.058 120.400 -0.728 0.000 2.144 917 K HA -0.203 4.116 4.320 -0.002 0.000 0.209 917 K C 0.979 177.277 176.600 -0.504 0.000 1.047 917 K CA 1.738 57.389 56.287 -1.059 0.000 0.927 917 K CB -0.285 31.593 32.500 -1.036 0.000 0.716 917 K HN 0.334 nan 8.250 nan 0.000 0.454 918 N N 0.948 119.467 118.700 -0.301 0.000 2.321 918 N HA 0.028 4.767 4.740 -0.002 0.000 0.242 918 N C -1.122 174.330 175.510 -0.096 0.000 1.141 918 N CA -0.295 52.664 53.050 -0.151 0.000 0.864 918 N CB 0.461 38.880 38.487 -0.112 0.000 1.100 918 N HN 0.181 nan 8.380 nan 0.000 0.510 919 D N 0.554 120.890 120.400 -0.106 0.000 2.440 919 D HA 0.233 4.872 4.640 -0.002 0.000 0.239 919 D C -1.867 174.441 176.300 0.012 0.000 1.084 919 D CA -2.441 51.536 54.000 -0.038 0.000 0.843 919 D CB 1.910 42.683 40.800 -0.046 0.000 1.097 919 D HN -0.120 nan 8.370 nan 0.000 0.531 920 P HA -0.202 nan 4.420 nan 0.000 0.217 920 P C 1.360 178.720 177.300 0.099 0.000 1.162 920 P CA 1.031 64.192 63.100 0.101 0.000 0.901 920 P CB 0.303 32.083 31.700 0.134 0.000 0.793 921 I N -0.916 119.705 120.570 0.085 0.000 2.072 921 I HA -0.246 3.923 4.170 -0.002 0.000 0.235 921 I C 2.263 178.442 176.117 0.103 0.000 1.058 921 I CA 1.823 63.173 61.300 0.084 0.000 1.320 921 I CB -1.082 36.960 38.000 0.070 0.000 1.047 921 I HN -0.177 nan 8.210 nan 0.000 0.397 922 K N 0.738 121.199 120.400 0.102 0.000 2.020 922 K HA -0.169 4.150 4.320 -0.002 0.000 0.212 922 K C 2.310 179.028 176.600 0.197 0.000 1.050 922 K CA 2.034 58.424 56.287 0.170 0.000 0.929 922 K CB -1.186 31.373 32.500 0.099 0.000 0.714 922 K HN 0.538 nan 8.250 nan 0.000 0.443 923 S N 0.983 116.725 115.700 0.069 0.000 2.440 923 S HA -0.186 4.283 4.470 -0.002 0.000 0.240 923 S C 1.991 176.766 174.600 0.291 0.000 1.014 923 S CA 1.626 59.868 58.200 0.070 0.000 0.980 923 S CB -0.090 63.101 63.200 -0.015 0.000 0.775 923 S HN 0.328 nan 8.310 nan 0.000 0.499 924 K N 0.845 121.376 120.400 0.218 0.000 2.284 924 K HA 0.109 4.428 4.320 -0.002 0.000 0.198 924 K C 2.305 179.008 176.600 0.173 0.000 1.048 924 K CA 0.654 57.066 56.287 0.209 0.000 0.987 924 K CB -0.091 32.499 32.500 0.149 0.000 0.800 924 K HN 0.586 nan 8.250 nan 0.000 0.486 925 E N -0.304 119.982 120.200 0.144 0.000 2.015 925 E HA -0.189 4.160 4.350 -0.002 0.000 0.191 925 E C 1.416 177.989 176.600 -0.045 0.000 0.991 925 E CA 1.320 57.728 56.400 0.014 0.000 0.802 925 E CB -0.091 29.576 29.700 -0.055 0.000 0.759 925 E HN 0.334 nan 8.360 nan 0.000 0.447 926 Y N -0.091 120.281 120.300 0.119 0.000 2.439 926 Y HA 0.055 4.604 4.550 -0.002 0.000 0.292 926 Y C 2.236 178.192 175.900 0.094 0.000 1.130 926 Y CA 0.889 59.059 58.100 0.116 0.000 1.254 926 Y CB -0.401 38.154 38.460 0.158 0.000 1.000 926 Y HN 0.188 nan 8.280 nan 0.000 0.554 927 G N -0.019 108.974 108.800 0.322 0.000 2.404 927 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.215 927 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.215 927 G C 1.044 176.087 174.900 0.238 0.000 1.174 927 G CA 1.285 46.512 45.100 0.212 0.000 0.780 927 G HN 0.300 nan 8.290 nan 0.000 0.537 928 D N 0.314 120.828 120.400 0.190 0.000 2.144 928 D HA 0.000 4.639 4.640 -0.002 0.000 0.200 928 D C 2.488 178.832 176.300 0.073 0.000 0.978 928 D CA 0.777 54.856 54.000 0.132 0.000 0.833 928 D CB 0.026 40.875 40.800 0.082 0.000 0.961 928 D HN 0.261 nan 8.370 nan 0.000 0.470 929 K N -0.038 120.377 120.400 0.024 0.000 2.057 929 K HA -0.125 4.194 4.320 -0.002 0.000 0.207 929 K C 1.903 178.508 176.600 0.008 0.000 1.049 929 K CA 0.568 56.850 56.287 -0.009 0.000 0.931 929 K CB -0.209 32.256 32.500 -0.058 0.000 0.714 929 K HN 0.066 nan 8.250 nan 0.000 0.440 930 L N 2.007 123.226 121.223 -0.008 0.000 2.042 930 L HA -0.197 4.142 4.340 -0.002 0.000 0.210 930 L C 1.976 178.876 176.870 0.050 0.000 1.076 930 L CA 1.763 56.570 54.840 -0.055 0.000 0.749 930 L CB -0.299 41.572 42.059 -0.313 0.000 0.893 930 L HN 0.080 nan 8.230 nan 0.000 0.432 931 K N -0.620 119.876 120.400 0.160 0.000 2.032 931 K HA -0.230 4.089 4.320 -0.002 0.000 0.209 931 K C 2.048 178.688 176.600 0.068 0.000 1.048 931 K CA 1.820 58.204 56.287 0.162 0.000 0.927 931 K CB -0.229 32.360 32.500 0.149 0.000 0.712 931 K HN 0.312 nan 8.250 nan 0.000 0.441 932 K N 0.951 121.380 120.400 0.047 0.000 2.032 932 K HA -0.119 4.200 4.320 -0.002 0.000 0.209 932 K C 2.203 178.812 176.600 0.014 0.000 1.048 932 K CA 1.296 57.596 56.287 0.022 0.000 0.927 932 K CB -0.251 32.257 32.500 0.013 0.000 0.712 932 K HN 0.054 nan 8.250 nan 0.000 0.441 933 L N 0.719 121.949 121.223 0.011 0.000 2.083 933 L HA -0.144 4.195 4.340 -0.002 0.000 0.209 933 L C 1.982 178.853 176.870 0.002 0.000 1.083 933 L CA 1.042 55.883 54.840 0.003 0.000 0.752 933 L CB -0.208 41.849 42.059 -0.004 0.000 0.899 933 L HN 0.179 nan 8.230 nan 0.000 0.433 934 L N -0.404 120.824 121.223 0.008 0.000 2.628 934 L HA 0.241 4.580 4.340 -0.002 0.000 0.229 934 L C 1.102 177.977 176.870 0.009 0.000 1.137 934 L CA -0.668 54.175 54.840 0.006 0.000 0.909 934 L CB -0.300 41.765 42.059 0.010 0.000 1.137 934 L HN 0.071 nan 8.230 nan 0.000 0.470 935 A N 0.408 123.234 122.820 0.011 0.000 2.567 935 A HA 0.337 4.656 4.320 -0.002 0.000 0.240 935 A C 1.510 179.093 177.584 -0.002 0.000 1.053 935 A CA 0.933 52.973 52.037 0.005 0.000 0.755 935 A CB -0.250 18.753 19.000 0.005 0.000 0.978 935 A HN 0.624 nan 8.150 nan 0.000 0.507 936 G N 0.789 109.586 108.800 -0.005 0.000 2.253 936 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.251 936 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.251 936 G C 0.505 175.399 174.900 -0.009 0.000 0.998 936 G CA 0.769 45.865 45.100 -0.008 0.000 0.621 936 G HN 1.282 nan 8.290 nan 0.000 0.524 937 Q N 0.916 120.711 119.800 -0.009 0.000 2.361 937 Q HA 0.578 4.917 4.340 -0.002 0.000 0.276 937 Q C 0.801 176.793 176.000 -0.014 0.000 1.022 937 Q CA 1.050 56.846 55.803 -0.011 0.000 0.898 937 Q CB 0.425 29.155 28.738 -0.012 0.000 1.246 937 Q HN 0.444 nan 8.270 nan 0.000 0.410 938 K N 2.476 122.868 120.400 -0.015 0.000 2.702 938 K HA 0.222 4.541 4.320 -0.002 0.000 0.182 938 K C -1.273 175.318 176.600 -0.015 0.000 1.167 938 K CA -0.052 56.225 56.287 -0.016 0.000 1.128 938 K CB 0.733 33.225 32.500 -0.014 0.000 0.838 938 K HN 0.657 nan 8.250 nan 0.000 0.491 939 D N -0.450 119.941 120.400 -0.016 0.000 2.581 939 D HA 0.493 5.132 4.640 -0.002 0.000 0.232 939 D C 0.288 176.577 176.300 -0.018 0.000 1.143 939 D CA -0.093 53.898 54.000 -0.015 0.000 0.881 939 D CB 1.579 42.372 40.800 -0.012 0.000 1.500 939 D HN 0.083 nan 8.370 nan 0.000 0.458 940 G N -0.224 108.567 108.800 -0.016 0.000 2.649 940 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.281 940 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.281 940 G C 0.991 175.875 174.900 -0.026 0.000 1.325 940 G CA 0.141 45.230 45.100 -0.018 0.000 0.916 940 G HN 0.527 nan 8.290 nan 0.000 0.562 941 L N -1.232 119.974 121.223 -0.029 0.000 1.976 941 L HA -0.234 4.105 4.340 -0.002 0.000 0.223 941 L C 3.123 179.962 176.870 -0.052 0.000 1.081 941 L CA 2.058 56.872 54.840 -0.043 0.000 0.784 941 L CB -0.831 41.203 42.059 -0.041 0.000 0.896 941 L HN 0.479 nan 8.230 nan 0.000 0.438 942 L N 0.361 121.557 121.223 -0.045 0.000 2.089 942 L HA -0.197 4.142 4.340 -0.002 0.000 0.213 942 L C 2.588 179.435 176.870 -0.038 0.000 1.079 942 L CA 2.195 57.008 54.840 -0.045 0.000 0.758 942 L CB -1.488 40.550 42.059 -0.035 0.000 0.891 942 L HN 0.315 nan 8.230 nan 0.000 0.433 943 G N -2.001 106.779 108.800 -0.033 0.000 2.432 943 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.219 943 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.219 943 G C 1.522 176.400 174.900 -0.037 0.000 1.135 943 G CA 0.570 45.652 45.100 -0.029 0.000 0.767 943 G HN 0.474 nan 8.290 nan 0.000 0.550 944 Q N -0.418 119.352 119.800 -0.050 0.000 2.137 944 Q HA 0.170 4.509 4.340 -0.002 0.000 0.198 944 Q C 2.525 178.475 176.000 -0.083 0.000 0.960 944 Q CA 0.503 56.265 55.803 -0.069 0.000 0.847 944 Q CB -0.061 28.625 28.738 -0.086 0.000 0.915 944 Q HN 0.478 nan 8.270 nan 0.000 0.448 945 I N 0.741 121.262 120.570 -0.082 0.000 2.454 945 I HA -0.239 3.930 4.170 -0.002 0.000 0.254 945 I C 2.215 178.347 176.117 0.026 0.000 1.156 945 I CA 0.707 61.962 61.300 -0.074 0.000 1.433 945 I CB -0.194 37.735 38.000 -0.119 0.000 1.082 945 I HN 0.168 nan 8.210 nan 0.000 0.432 946 A N 0.611 123.435 122.820 0.007 0.000 1.898 946 A HA 0.036 4.355 4.320 -0.002 0.000 0.214 946 A C 2.388 179.950 177.584 -0.036 0.000 1.183 946 A CA 1.211 53.265 52.037 0.030 0.000 0.622 946 A CB -0.587 18.414 19.000 0.002 0.000 0.824 946 A HN 0.367 nan 8.150 nan 0.000 0.444 947 A N -1.007 121.781 122.820 -0.053 0.000 2.248 947 A HA 0.230 4.549 4.320 -0.002 0.000 0.210 947 A C 1.440 178.959 177.584 -0.108 0.000 1.174 947 A CA 0.914 52.906 52.037 -0.074 0.000 0.750 947 A CB -0.642 18.326 19.000 -0.053 0.000 0.780 947 A HN 0.505 nan 8.150 nan 0.000 0.478 948 M N -0.459 119.057 119.600 -0.139 0.000 2.692 948 M HA 0.046 4.525 4.480 -0.002 0.000 0.372 948 M C 1.505 177.510 176.300 -0.492 0.000 1.192 948 M CA 0.444 55.636 55.300 -0.179 0.000 0.928 948 M CB 0.479 33.029 32.600 -0.083 0.000 1.366 948 M HN 0.442 nan 8.290 nan 0.000 0.517 949 S N 0.359 115.585 115.700 -0.789 0.000 2.419 949 S HA -0.188 4.281 4.470 -0.002 0.000 0.235 949 S C 1.257 175.338 174.600 -0.865 0.000 1.019 949 S CA 1.825 59.080 58.200 -1.574 0.000 0.982 949 S CB -0.619 62.108 63.200 -0.789 0.000 0.789 949 S HN 0.640 nan 8.310 nan 0.000 0.490 950 D N 1.056 121.219 120.400 -0.396 0.000 2.352 950 D HA 0.035 4.674 4.640 -0.002 0.000 0.232 950 D C 1.245 177.521 176.300 -0.040 0.000 1.055 950 D CA 0.256 54.159 54.000 -0.162 0.000 0.891 950 D CB -0.411 40.337 40.800 -0.086 0.000 0.897 950 D HN 0.518 nan 8.370 nan 0.000 0.529 951 L N -1.425 119.767 121.223 -0.052 0.000 2.781 951 L HA 0.193 4.532 4.340 -0.002 0.000 0.245 951 L C 1.718 178.806 176.870 0.363 0.000 1.118 951 L CA -0.370 54.557 54.840 0.144 0.000 0.918 951 L CB -0.123 42.008 42.059 0.120 0.000 1.246 951 L HN -0.014 nan 8.230 nan 0.000 0.526 952 Y N 0.681 121.075 120.300 0.156 0.000 2.006 952 Y HA -0.254 4.295 4.550 -0.002 0.000 0.266 952 Y C 1.937 178.182 175.900 0.576 0.000 1.133 952 Y CA 1.170 59.469 58.100 0.332 0.000 1.098 952 Y CB -0.537 37.998 38.460 0.124 0.000 0.969 952 Y HN 0.076 nan 8.280 nan 0.000 0.482 953 T N 1.637 116.504 114.554 0.521 0.000 2.930 953 T HA 0.011 4.360 4.350 -0.002 0.000 0.306 953 T C -0.241 174.621 174.700 0.270 0.000 1.045 953 T CA -0.589 61.718 62.100 0.345 0.000 1.134 953 T CB 0.509 69.525 68.868 0.247 0.000 0.961 953 T HN 0.142 nan 8.240 nan 0.000 0.545 954 K N 3.813 124.326 120.400 0.188 0.000 2.416 954 K HA 0.091 4.410 4.320 -0.002 0.000 0.283 954 K C 0.222 176.928 176.600 0.176 0.000 1.037 954 K CA -0.430 55.945 56.287 0.146 0.000 0.995 954 K CB 0.310 32.854 32.500 0.072 0.000 0.938 954 K HN 0.467 nan 8.250 nan 0.000 0.475 955 K N 1.644 122.162 120.400 0.196 0.000 2.126 955 K HA 0.107 4.426 4.320 -0.002 0.000 0.257 955 K C -0.282 176.448 176.600 0.216 0.000 1.007 955 K CA -0.293 56.158 56.287 0.275 0.000 0.928 955 K CB 1.657 34.418 32.500 0.435 0.000 1.013 955 K HN 0.488 nan 8.250 nan 0.000 0.473 956 S N 1.080 116.955 115.700 0.291 0.000 2.669 956 S HA 0.300 4.769 4.470 -0.002 0.000 0.315 956 S C -0.877 173.895 174.600 0.287 0.000 1.106 956 S CA -0.747 57.589 58.200 0.225 0.000 1.107 956 S CB 0.387 63.773 63.200 0.309 0.000 0.990 956 S HN 0.229 nan 8.310 nan 0.000 0.471 957 V N 6.143 126.088 119.914 0.051 0.000 2.385 957 V HA 0.451 4.570 4.120 -0.002 0.000 0.269 957 V C -0.559 175.471 176.094 -0.105 0.000 1.043 957 V CA -0.386 61.924 62.300 0.016 0.000 0.906 957 V CB 0.129 31.864 31.823 -0.147 0.000 0.995 957 V HN 0.840 nan 8.190 nan 0.000 0.467 958 W N 4.637 125.911 121.300 -0.043 0.000 2.706 958 W HA 0.719 5.378 4.660 -0.001 0.000 0.346 958 W C -0.519 175.955 176.519 -0.075 0.000 1.071 958 W CA -0.742 56.589 57.345 -0.023 0.000 1.206 958 W CB 1.520 30.954 29.460 -0.044 0.000 1.413 958 W HN 0.233 nan 8.180 nan 0.000 0.542 959 I N 3.372 124.148 120.570 0.343 0.000 2.420 959 I HA 0.295 4.464 4.170 -0.002 0.000 0.282 959 I C -0.942 175.461 176.117 0.477 0.000 1.019 959 I CA -1.059 60.374 61.300 0.221 0.000 1.130 959 I CB -0.000 38.136 38.000 0.226 0.000 1.262 959 I HN 0.292 nan 8.210 nan 0.000 0.454 960 F N 4.032 124.010 119.950 0.047 0.000 2.408 960 F HA 0.693 5.219 4.527 -0.002 0.000 0.344 960 F C 0.933 176.626 175.800 -0.178 0.000 1.112 960 F CA -0.619 57.450 58.000 0.115 0.000 1.096 960 F CB 2.425 41.549 39.000 0.207 0.000 1.129 960 F HN 0.546 nan 8.300 nan 0.000 0.486 961 G N 1.467 110.329 108.800 0.103 0.000 2.645 961 G HA2 0.556 4.515 3.960 -0.002 0.000 0.292 961 G HA3 0.556 4.515 3.960 -0.002 0.000 0.292 961 G C -1.414 173.670 174.900 0.308 0.000 1.415 961 G CA -0.642 44.465 45.100 0.012 0.000 0.785 961 G HN 0.852 nan 8.290 nan 0.000 0.483 962 G N -1.412 107.633 108.800 0.409 0.000 2.667 962 G HA2 0.519 4.478 3.960 -0.002 0.000 0.310 962 G HA3 0.519 4.478 3.960 -0.002 0.000 0.310 962 G C 0.681 175.789 174.900 0.346 0.000 1.259 962 G CA 0.510 45.782 45.100 0.287 0.000 1.019 962 G HN 0.615 nan 8.290 nan 0.000 0.496 963 D N -0.447 120.060 120.400 0.178 0.000 2.123 963 D HA -0.124 4.515 4.640 -0.002 0.000 0.196 963 D C 2.182 178.542 176.300 0.101 0.000 0.992 963 D CA 1.493 55.576 54.000 0.138 0.000 0.833 963 D CB -0.849 39.818 40.800 -0.222 0.000 0.954 963 D HN 0.494 nan 8.370 nan 0.000 0.455 964 G N 0.427 109.162 108.800 -0.108 0.000 2.476 964 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.218 964 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.218 964 G C 1.424 176.321 174.900 -0.006 0.000 1.164 964 G CA 1.026 45.871 45.100 -0.424 0.000 0.768 964 G HN 0.473 nan 8.290 nan 0.000 0.560 965 W N 1.839 123.164 121.300 0.041 0.000 2.380 965 W HA 0.136 4.795 4.660 -0.002 0.000 0.317 965 W C 2.691 179.220 176.519 0.016 0.000 1.196 965 W CA 2.388 59.691 57.345 -0.070 0.000 1.307 965 W CB -0.528 28.991 29.460 0.098 0.000 1.157 965 W HN 0.256 nan 8.180 nan 0.000 0.483 966 A N -0.507 122.105 122.820 -0.348 0.000 1.877 966 A HA -0.200 4.119 4.320 -0.002 0.000 0.216 966 A C 1.866 179.264 177.584 -0.310 0.000 1.186 966 A CA 1.875 53.501 52.037 -0.685 0.000 0.620 966 A CB -1.466 17.417 19.000 -0.194 0.000 0.822 966 A HN 0.530 nan 8.150 nan 0.000 0.443 967 Y N -0.188 119.973 120.300 -0.232 0.000 2.475 967 Y HA 0.046 4.595 4.550 -0.002 0.000 0.289 967 Y C 1.549 177.343 175.900 -0.177 0.000 1.121 967 Y CA 0.654 58.602 58.100 -0.252 0.000 1.257 967 Y CB 0.009 38.381 38.460 -0.148 0.000 1.026 967 Y HN 0.317 nan 8.280 nan 0.000 0.555 968 D N -1.419 119.023 120.400 0.070 0.000 3.361 968 D HA 0.024 4.663 4.640 -0.002 0.000 0.202 968 D C 1.896 178.186 176.300 -0.016 0.000 1.208 968 D CA -0.153 53.907 54.000 0.100 0.000 1.397 968 D CB -0.858 40.130 40.800 0.314 0.000 0.948 968 D HN -0.039 nan 8.370 nan 0.000 0.167 969 I N 1.442 121.986 120.570 -0.043 0.000 2.130 969 I HA -0.253 3.916 4.170 -0.002 0.000 0.241 969 I C 1.667 177.625 176.117 -0.264 0.000 1.023 969 I CA 2.473 63.632 61.300 -0.236 0.000 1.293 969 I CB -0.444 37.239 38.000 -0.528 0.000 1.001 969 I HN 0.297 nan 8.210 nan 0.000 0.407 970 G N -2.356 106.220 108.800 -0.373 0.000 3.434 970 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.258 970 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.258 970 G C 1.057 175.672 174.900 -0.476 0.000 1.128 970 G CA 0.233 45.112 45.100 -0.368 0.000 0.792 970 G HN 0.495 nan 8.290 nan 0.000 0.539 971 Y N 1.905 121.918 120.300 -0.479 0.000 2.145 971 Y HA -0.098 4.451 4.550 -0.002 0.000 0.286 971 Y C 2.460 178.201 175.900 -0.264 0.000 1.145 971 Y CA 1.665 59.519 58.100 -0.410 0.000 1.148 971 Y CB -0.539 37.752 38.460 -0.282 0.000 0.981 971 Y HN 0.121 nan 8.280 nan 0.000 0.507 972 G N -0.542 108.036 108.800 -0.369 0.000 2.469 972 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.219 972 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.219 972 G C 1.887 176.616 174.900 -0.284 0.000 1.150 972 G CA 0.937 45.817 45.100 -0.368 0.000 0.763 972 G HN 0.638 nan 8.290 nan 0.000 0.561 973 G N 0.397 109.074 108.800 -0.204 0.000 2.408 973 G HA2 0.008 3.967 3.960 -0.002 0.000 0.215 973 G HA3 0.008 3.967 3.960 -0.002 0.000 0.215 973 G C 1.703 176.540 174.900 -0.104 0.000 1.156 973 G CA 0.882 45.916 45.100 -0.109 0.000 0.793 973 G HN 0.414 nan 8.290 nan 0.000 0.535 974 L N 1.194 122.305 121.223 -0.187 0.000 2.017 974 L HA -0.029 4.310 4.340 -0.002 0.000 0.208 974 L C 2.213 178.955 176.870 -0.213 0.000 1.073 974 L CA 2.682 57.422 54.840 -0.166 0.000 0.745 974 L CB -0.686 41.172 42.059 -0.335 0.000 0.894 974 L HN 0.222 nan 8.230 nan 0.000 0.432 975 D N -1.373 118.796 120.400 -0.386 0.000 2.092 975 D HA -0.306 4.333 4.640 -0.002 0.000 0.193 975 D C 2.267 178.411 176.300 -0.260 0.000 0.994 975 D CA 1.751 55.539 54.000 -0.353 0.000 0.828 975 D CB -0.352 40.095 40.800 -0.588 0.000 0.963 975 D HN 0.591 nan 8.370 nan 0.000 0.450 976 H N -0.078 118.816 119.070 -0.294 0.000 2.352 976 H HA -0.082 4.473 4.556 -0.002 0.000 0.299 976 H C 2.082 177.209 175.328 -0.335 0.000 1.097 976 H CA 1.646 57.532 56.048 -0.270 0.000 1.311 976 H CB -0.100 29.512 29.762 -0.250 0.000 1.377 976 H HN 0.093 nan 8.280 nan 0.000 0.504 977 V N 1.227 120.989 119.914 -0.252 0.000 2.427 977 V HA -0.218 3.901 4.120 -0.002 0.000 0.248 977 V C 2.988 178.921 176.094 -0.270 0.000 1.051 977 V CA 1.237 63.323 62.300 -0.357 0.000 1.048 977 V CB -0.521 31.190 31.823 -0.186 0.000 0.666 977 V HN 0.306 nan 8.190 nan 0.000 0.456 978 L N 0.135 121.219 121.223 -0.233 0.000 2.191 978 L HA -0.115 4.224 4.340 -0.002 0.000 0.212 978 L C 2.564 179.228 176.870 -0.342 0.000 1.103 978 L CA 1.293 56.004 54.840 -0.214 0.000 0.769 978 L CB -0.592 41.340 42.059 -0.211 0.000 0.908 978 L HN 0.369 nan 8.230 nan 0.000 0.438 979 A N -0.314 122.183 122.820 -0.538 0.000 2.016 979 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 979 A C 2.476 179.935 177.584 -0.208 0.000 1.162 979 A CA 1.188 52.918 52.037 -0.512 0.000 0.662 979 A CB -0.479 18.194 19.000 -0.546 0.000 0.812 979 A HN 0.476 nan 8.150 nan 0.000 0.450 980 S N -0.507 115.004 115.700 -0.316 0.000 2.423 980 S HA 0.083 4.552 4.470 -0.002 0.000 0.238 980 S C 1.628 176.150 174.600 -0.131 0.000 1.028 980 S CA 1.582 59.643 58.200 -0.231 0.000 1.000 980 S CB -1.058 62.007 63.200 -0.225 0.000 0.797 980 S HN 2.063 nan 8.310 nan 0.000 0.487 981 G N 0.657 109.406 108.800 -0.084 0.000 2.176 981 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.252 981 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.252 981 G C -0.283 174.576 174.900 -0.069 0.000 1.024 981 G CA 0.416 45.432 45.100 -0.139 0.000 0.755 981 G HN 0.685 nan 8.290 nan 0.000 0.507 982 E N -0.487 119.717 120.200 0.008 0.000 2.235 982 E HA 0.341 4.690 4.350 -0.002 0.000 0.265 982 E C -0.734 175.859 176.600 -0.012 0.000 0.940 982 E CA -1.037 55.357 56.400 -0.010 0.000 0.819 982 E CB 1.042 30.774 29.700 0.052 0.000 1.206 982 E HN 0.034 nan 8.360 nan 0.000 0.409 983 D N 2.317 122.670 120.400 -0.078 0.000 2.482 983 D HA 0.070 4.709 4.640 -0.002 0.000 0.244 983 D C -1.026 175.211 176.300 -0.104 0.000 1.242 983 D CA 0.135 54.076 54.000 -0.099 0.000 1.097 983 D CB -0.467 40.261 40.800 -0.121 0.000 1.109 983 D HN 0.238 nan 8.370 nan 0.000 0.510 984 V N 0.396 120.263 119.914 -0.079 0.000 3.007 984 V HA 0.647 4.766 4.120 -0.002 0.000 0.311 984 V C -0.673 175.303 176.094 -0.197 0.000 1.120 984 V CA -1.121 61.106 62.300 -0.121 0.000 0.980 984 V CB 2.460 34.285 31.823 0.005 0.000 1.033 984 V HN 0.208 nan 8.190 nan 0.000 0.429 985 N N 2.097 120.560 118.700 -0.395 0.000 2.491 985 N HA 0.525 5.264 4.740 -0.002 0.000 0.274 985 N C -0.701 174.709 175.510 -0.167 0.000 1.023 985 N CA -0.244 52.457 53.050 -0.581 0.000 0.902 985 N CB 2.290 39.719 38.487 -1.763 0.000 1.267 985 N HN 1.030 nan 8.380 nan 0.000 0.503 986 V N -0.035 119.959 119.914 0.134 0.000 2.394 986 V HA 0.624 4.743 4.120 -0.002 0.000 0.282 986 V C -0.640 175.815 176.094 0.601 0.000 1.031 986 V CA -0.675 61.873 62.300 0.413 0.000 0.881 986 V CB 0.997 33.069 31.823 0.415 0.000 0.982 986 V HN 0.444 nan 8.190 nan 0.000 0.451 987 F N 5.554 125.862 119.950 0.597 0.000 2.403 987 F HA 0.740 5.266 4.527 -0.002 0.000 0.355 987 F C -0.416 175.604 175.800 0.366 0.000 1.119 987 F CA -0.910 57.390 58.000 0.501 0.000 1.007 987 F CB 1.644 40.940 39.000 0.492 0.000 1.194 987 F HN 0.483 nan 8.300 nan 0.000 0.443 988 V N 7.844 127.668 119.914 -0.149 0.000 2.347 988 V HA 0.285 4.404 4.120 -0.002 0.000 0.280 988 V C 0.087 175.938 176.094 -0.405 0.000 1.021 988 V CA -0.572 61.692 62.300 -0.059 0.000 0.847 988 V CB 1.248 33.191 31.823 0.201 0.000 0.990 988 V HN 0.710 nan 8.190 nan 0.000 0.444 989 M N 4.396 123.797 119.600 -0.331 0.000 2.201 989 M HA 0.272 4.751 4.480 -0.002 0.000 0.345 989 M C -0.057 176.162 176.300 -0.135 0.000 1.352 989 M CA -0.015 55.077 55.300 -0.346 0.000 1.218 989 M CB 0.250 32.758 32.600 -0.153 0.000 1.512 989 M HN 0.483 nan 8.290 nan 0.000 0.447 990 D N 2.878 123.191 120.400 -0.146 0.000 2.422 990 D HA 0.070 4.709 4.640 -0.002 0.000 0.227 990 D C 0.792 176.969 176.300 -0.206 0.000 1.190 990 D CA 0.076 54.043 54.000 -0.055 0.000 0.905 990 D CB 0.945 41.860 40.800 0.192 0.000 1.034 990 D HN 0.658 nan 8.370 nan 0.000 0.507 991 T N 0.084 114.557 114.554 -0.134 0.000 3.163 991 T HA 0.073 4.422 4.350 -0.002 0.000 0.252 991 T C 0.570 175.219 174.700 -0.084 0.000 1.056 991 T CA -0.363 61.647 62.100 -0.150 0.000 0.947 991 T CB -0.309 68.520 68.868 -0.065 0.000 1.016 991 T HN 0.539 nan 8.240 nan 0.000 0.554 992 E N -0.312 119.851 120.200 -0.061 0.000 2.403 992 E HA -0.139 4.210 4.350 -0.002 0.000 0.241 992 E C -0.463 176.142 176.600 0.009 0.000 1.201 992 E CA 0.367 56.759 56.400 -0.014 0.000 0.721 992 E CB -1.874 27.894 29.700 0.114 0.000 1.245 992 E HN 0.527 nan 8.360 nan 0.000 0.392 993 V N -0.070 119.855 119.914 0.018 0.000 2.934 993 V HA 0.071 4.190 4.120 -0.002 0.000 0.256 993 V C -1.602 174.581 176.094 0.149 0.000 1.791 993 V CA -0.919 61.447 62.300 0.110 0.000 0.927 993 V CB 1.013 32.877 31.823 0.068 0.000 1.354 993 V HN 0.170 nan 8.190 nan 0.000 0.455 994 Y N 4.576 124.885 120.300 0.015 0.000 2.730 994 Y HA 0.242 4.791 4.550 -0.002 0.000 0.357 994 Y C 1.584 177.482 175.900 -0.005 0.000 1.167 994 Y CA 1.049 59.161 58.100 0.020 0.000 1.579 994 Y CB 0.632 39.086 38.460 -0.010 0.000 1.262 994 Y HN 0.715 nan 8.280 nan 0.000 0.510 995 S N 2.436 118.196 115.700 0.100 0.000 2.396 995 S HA -0.236 4.233 4.470 -0.002 0.000 0.204 995 S C 1.910 176.537 174.600 0.046 0.000 1.060 995 S CA 1.215 59.454 58.200 0.066 0.000 1.098 995 S CB -0.523 62.715 63.200 0.063 0.000 1.022 995 S HN 0.945 nan 8.310 nan 0.000 0.413 996 N N 1.347 120.067 118.700 0.033 0.000 2.493 996 N HA -0.162 4.577 4.740 -0.002 0.000 0.191 996 N C 0.922 176.421 175.510 -0.019 0.000 1.041 996 N CA 1.522 54.577 53.050 0.008 0.000 0.904 996 N CB -0.458 38.025 38.487 -0.007 0.000 0.948 996 N HN 0.511 nan 8.380 nan 0.000 0.446 997 T N -5.252 109.297 114.554 -0.009 0.000 3.069 997 T HA 0.485 4.834 4.350 -0.002 0.000 0.252 997 T C 1.320 176.002 174.700 -0.031 0.000 1.053 997 T CA 0.060 62.143 62.100 -0.029 0.000 0.964 997 T CB 0.891 69.742 68.868 -0.028 0.000 1.005 997 T HN 0.440 nan 8.240 nan 0.000 0.532 998 G N 0.499 109.289 108.800 -0.018 0.000 2.318 998 G HA2 0.268 4.227 3.960 -0.002 0.000 0.172 998 G HA3 0.268 4.227 3.960 -0.002 0.000 0.172 998 G C 0.750 175.635 174.900 -0.025 0.000 1.002 998 G CA -0.101 44.976 45.100 -0.038 0.000 0.697 998 G HN 1.543 nan 8.290 nan 0.000 0.483 999 G N -0.389 108.422 108.800 0.018 0.000 2.325 999 G HA2 0.056 4.015 3.960 -0.002 0.000 0.248 999 G HA3 0.056 4.015 3.960 -0.002 0.000 0.248 999 G C -0.045 174.870 174.900 0.026 0.000 1.108 999 G CA 0.648 45.766 45.100 0.030 0.000 0.881 999 G HN 0.965 nan 8.290 nan 0.000 0.494 1000 Q N 0.204 120.028 119.800 0.039 0.000 2.306 1000 Q HA 0.631 4.970 4.340 -0.002 0.000 0.241 1000 Q C 0.848 176.853 176.000 0.007 0.000 0.948 1000 Q CA 0.162 55.946 55.803 -0.032 0.000 0.886 1000 Q CB 1.219 29.797 28.738 -0.268 0.000 1.227 1000 Q HN 0.435 nan 8.270 nan 0.000 0.457 1001 S N 0.796 116.504 115.700 0.014 0.000 2.531 1001 S HA 0.391 4.860 4.470 -0.002 0.000 0.279 1001 S C -0.329 174.324 174.600 0.089 0.000 1.305 1001 S CA -0.294 57.941 58.200 0.057 0.000 1.058 1001 S CB -0.010 63.224 63.200 0.058 0.000 0.899 1001 S HN 0.605 nan 8.310 nan 0.000 0.493 1002 S N 4.099 119.931 115.700 0.221 0.000 2.726 1002 S HA 0.515 4.984 4.470 -0.002 0.000 0.308 1002 S C 0.441 175.113 174.600 0.120 0.000 1.115 1002 S CA -0.986 57.412 58.200 0.331 0.000 0.965 1002 S CB 1.135 64.537 63.200 0.337 0.000 1.145 1002 S HN 0.731 nan 8.310 nan 0.000 0.532 1003 K N 0.052 120.519 120.400 0.111 0.000 2.504 1003 K HA 0.098 4.417 4.320 -0.002 0.000 0.195 1003 K C 1.542 178.138 176.600 -0.007 0.000 1.036 1003 K CA 0.766 57.094 56.287 0.069 0.000 0.984 1003 K CB -0.327 32.230 32.500 0.095 0.000 0.788 1003 K HN 0.674 nan 8.250 nan 0.000 0.488 1004 A N 0.919 123.587 122.820 -0.254 0.000 2.195 1004 A HA 0.035 4.354 4.320 -0.002 0.000 0.210 1004 A C 0.779 178.251 177.584 -0.187 0.000 1.165 1004 A CA 0.214 51.884 52.037 -0.612 0.000 0.806 1004 A CB 0.086 18.192 19.000 -1.490 0.000 0.847 1004 A HN 0.065 nan 8.150 nan 0.000 0.482 1005 T N 3.975 118.493 114.554 -0.060 0.000 2.853 1005 T HA 0.300 4.649 4.350 -0.002 0.000 0.298 1005 T C -2.150 172.596 174.700 0.076 0.000 0.978 1005 T CA -0.729 61.389 62.100 0.030 0.000 1.152 1005 T CB 0.895 69.784 68.868 0.034 0.000 0.914 1005 T HN 0.311 nan 8.240 nan 0.000 0.539 1006 P HA 0.069 nan 4.420 nan 0.000 0.274 1006 P C -0.209 177.198 177.300 0.179 0.000 1.264 1006 P CA -0.385 62.855 63.100 0.234 0.000 0.795 1006 P CB 0.320 32.321 31.700 0.502 0.000 1.064 1007 T N -0.585 114.098 114.554 0.215 0.000 2.897 1007 T HA 0.406 4.755 4.350 -0.002 0.000 0.294 1007 T C 1.291 176.111 174.700 0.200 0.000 1.004 1007 T CA 0.931 63.129 62.100 0.163 0.000 1.106 1007 T CB 0.040 68.998 68.868 0.149 0.000 0.949 1007 T HN 0.803 nan 8.240 nan 0.000 0.520 1008 G N 1.589 110.453 108.800 0.107 0.000 2.189 1008 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.267 1008 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.267 1008 G C 0.334 175.202 174.900 -0.054 0.000 0.975 1008 G CA 0.048 45.202 45.100 0.089 0.000 0.644 1008 G HN 1.176 nan 8.290 nan 0.000 0.537 1009 A N -0.529 122.185 122.820 -0.178 0.000 2.371 1009 A HA 0.671 4.990 4.320 -0.002 0.000 0.257 1009 A C 0.407 177.813 177.584 -0.296 0.000 1.089 1009 A CA 0.322 52.046 52.037 -0.522 0.000 0.794 1009 A CB 1.102 19.854 19.000 -0.415 0.000 1.029 1009 A HN 1.109 nan 8.150 nan 0.000 0.488 1010 V N 1.616 121.337 119.914 -0.322 0.000 2.347 1010 V HA 0.650 4.769 4.120 -0.002 0.000 0.280 1010 V C 0.519 176.525 176.094 -0.146 0.000 1.021 1010 V CA 0.556 62.748 62.300 -0.180 0.000 0.847 1010 V CB 0.351 32.092 31.823 -0.137 0.000 0.990 1010 V HN 1.314 nan 8.190 nan 0.000 0.444 1011 A N 5.384 128.140 122.820 -0.107 0.000 2.567 1011 A HA 0.822 5.141 4.320 -0.002 0.000 0.289 1011 A C -0.988 176.541 177.584 -0.092 0.000 1.177 1011 A CA -0.981 51.008 52.037 -0.079 0.000 0.694 1011 A CB 1.336 20.313 19.000 -0.038 0.000 1.292 1011 A HN 0.488 nan 8.150 nan 0.000 0.425 1012 K N 0.296 120.640 120.400 -0.094 0.000 2.416 1012 K HA 0.386 4.705 4.320 -0.002 0.000 0.283 1012 K C -0.868 175.691 176.600 -0.068 0.000 1.037 1012 K CA 0.336 56.494 56.287 -0.216 0.000 0.995 1012 K CB -0.760 31.619 32.500 -0.202 0.000 0.938 1012 K HN 0.800 nan 8.250 nan 0.000 0.475 1013 F N -0.253 119.630 119.950 -0.111 0.000 2.893 1013 F HA -0.286 4.240 4.527 -0.002 0.000 0.287 1013 F C 0.514 176.268 175.800 -0.077 0.000 0.766 1013 F CA 0.745 58.690 58.000 -0.091 0.000 1.362 1013 F CB -1.814 37.124 39.000 -0.102 0.000 1.518 1013 F HN 0.637 nan 8.300 nan 0.000 0.417 1014 A N -0.791 122.022 122.820 -0.013 0.000 2.602 1014 A HA 0.759 5.078 4.320 -0.002 0.000 0.238 1014 A C 1.239 178.770 177.584 -0.090 0.000 0.863 1014 A CA 0.301 52.318 52.037 -0.034 0.000 1.148 1014 A CB -0.376 18.606 19.000 -0.030 0.000 1.227 1014 A HN 0.837 nan 8.150 nan 0.000 0.460 1015 A N -0.361 122.390 122.820 -0.116 0.000 2.204 1015 A HA 0.211 4.530 4.320 -0.002 0.000 0.220 1015 A C 1.462 178.951 177.584 -0.158 0.000 1.165 1015 A CA 1.963 53.920 52.037 -0.134 0.000 0.671 1015 A CB -0.202 18.715 19.000 -0.138 0.000 0.792 1015 A HN 1.700 nan 8.150 nan 0.000 0.473 1016 A N -1.576 121.133 122.820 -0.184 0.000 2.676 1016 A HA 0.537 4.856 4.320 -0.002 0.000 0.258 1016 A C 0.812 178.289 177.584 -0.178 0.000 0.898 1016 A CA 0.611 52.474 52.037 -0.290 0.000 1.087 1016 A CB -0.727 18.016 19.000 -0.429 0.000 1.214 1016 A HN 2.074 nan 8.150 nan 0.000 0.474 1017 G N 0.557 109.287 108.800 -0.117 0.000 3.153 1017 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.686 1017 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.686 1017 G C -0.288 174.580 174.900 -0.052 0.000 0.995 1017 G CA -0.087 44.965 45.100 -0.080 0.000 0.783 1017 G HN 0.831 nan 8.290 nan 0.000 0.551 1018 K N 1.427 121.805 120.400 -0.037 0.000 2.472 1018 K HA 0.173 4.492 4.320 -0.002 0.000 0.280 1018 K C 0.958 177.565 176.600 0.011 0.000 1.028 1018 K CA -0.085 56.199 56.287 -0.006 0.000 1.045 1018 K CB 0.234 32.740 32.500 0.009 0.000 0.902 1018 K HN 0.376 nan 8.250 nan 0.000 0.478 1019 R N 2.628 123.133 120.500 0.009 0.000 2.586 1019 R HA 0.091 4.430 4.340 -0.002 0.000 0.306 1019 R C -0.481 175.831 176.300 0.020 0.000 1.079 1019 R CA -0.009 56.100 56.100 0.014 0.000 1.083 1019 R CB -0.177 30.125 30.300 0.003 0.000 1.306 1019 R HN 0.728 nan 8.270 nan 0.000 0.567 1020 T N -3.306 111.264 114.554 0.026 0.000 2.916 1020 T HA 0.596 4.945 4.350 -0.002 0.000 0.298 1020 T C 0.454 175.173 174.700 0.032 0.000 1.031 1020 T CA -0.838 61.276 62.100 0.023 0.000 0.993 1020 T CB 2.650 71.529 68.868 0.018 0.000 1.045 1020 T HN 0.120 nan 8.240 nan 0.000 0.454 1021 G N 1.272 110.087 108.800 0.025 0.000 2.614 1021 G HA2 0.334 4.293 3.960 -0.002 0.000 0.239 1021 G HA3 0.334 4.293 3.960 -0.002 0.000 0.239 1021 G C -0.149 174.770 174.900 0.031 0.000 1.240 1021 G CA -0.767 44.351 45.100 0.030 0.000 0.842 1021 G HN 0.994 nan 8.290 nan 0.000 0.584 1022 K N 0.844 121.269 120.400 0.041 0.000 2.447 1022 K HA 0.036 4.355 4.320 -0.002 0.000 0.281 1022 K C 0.687 177.313 176.600 0.043 0.000 1.031 1022 K CA -0.250 56.063 56.287 0.045 0.000 1.019 1022 K CB 0.320 32.848 32.500 0.047 0.000 0.918 1022 K HN 0.477 nan 8.250 nan 0.000 0.476 1023 K N 4.014 124.459 120.400 0.075 0.000 2.484 1023 K HA -0.109 4.210 4.320 -0.002 0.000 0.280 1023 K C -0.400 176.249 176.600 0.082 0.000 1.013 1023 K CA 0.121 56.447 56.287 0.065 0.000 1.029 1023 K CB 0.465 33.025 32.500 0.101 0.000 0.902 1023 K HN 0.557 nan 8.250 nan 0.000 0.481 1024 D N 5.755 126.136 120.400 -0.032 0.000 2.522 1024 D HA 0.008 4.647 4.640 -0.002 0.000 0.218 1024 D C 0.895 177.110 176.300 -0.141 0.000 1.149 1024 D CA -0.209 53.751 54.000 -0.068 0.000 0.981 1024 D CB 0.472 41.211 40.800 -0.101 0.000 1.041 1024 D HN 0.541 nan 8.370 nan 0.000 0.518 1025 L N 3.957 125.058 121.223 -0.203 0.000 2.141 1025 L HA -0.020 4.319 4.340 -0.002 0.000 0.209 1025 L C 2.048 178.809 176.870 -0.182 0.000 1.094 1025 L CA 1.844 56.471 54.840 -0.354 0.000 0.763 1025 L CB -0.360 41.233 42.059 -0.777 0.000 0.908 1025 L HN 0.330 nan 8.230 nan 0.000 0.437 1026 A N -0.350 122.412 122.820 -0.097 0.000 1.873 1026 A HA -0.166 4.153 4.320 -0.002 0.000 0.215 1026 A C 2.407 179.930 177.584 -0.102 0.000 1.186 1026 A CA 1.563 53.597 52.037 -0.005 0.000 0.616 1026 A CB -0.482 18.645 19.000 0.213 0.000 0.823 1026 A HN 0.478 nan 8.150 nan 0.000 0.442 1027 R N -1.115 119.285 120.500 -0.166 0.000 2.148 1027 R HA 0.075 4.414 4.340 -0.002 0.000 0.223 1027 R C 2.112 178.265 176.300 -0.246 0.000 1.088 1027 R CA 1.124 57.067 56.100 -0.262 0.000 0.985 1027 R CB -0.327 29.811 30.300 -0.270 0.000 0.880 1027 R HN 0.557 nan 8.270 nan 0.000 0.451 1028 M N -0.132 119.355 119.600 -0.189 0.000 2.132 1028 M HA -0.123 4.356 4.480 -0.002 0.000 0.263 1028 M C 2.385 178.581 176.300 -0.174 0.000 1.065 1028 M CA 1.328 56.526 55.300 -0.170 0.000 1.122 1028 M CB -0.235 32.300 32.600 -0.108 0.000 1.365 1028 M HN 0.035 nan 8.290 nan 0.000 0.411 1029 V N 0.403 120.257 119.914 -0.099 0.000 2.719 1029 V HA -0.156 3.963 4.120 -0.002 0.000 0.252 1029 V C 1.991 178.010 176.094 -0.125 0.000 1.065 1029 V CA 1.324 63.629 62.300 0.008 0.000 1.086 1029 V CB -0.218 31.628 31.823 0.038 0.000 0.700 1029 V HN 0.447 nan 8.190 nan 0.000 0.467 1030 M N 0.639 120.059 119.600 -0.300 0.000 2.446 1030 M HA -0.109 4.370 4.480 -0.002 0.000 0.263 1030 M C 2.033 177.986 176.300 -0.578 0.000 1.066 1030 M CA 1.939 56.887 55.300 -0.586 0.000 1.087 1030 M CB -0.533 31.655 32.600 -0.687 0.000 1.406 1030 M HN 0.697 nan 8.290 nan 0.000 0.459 1031 T N -2.766 111.530 114.554 -0.431 0.000 3.051 1031 T HA -0.137 4.212 4.350 -0.002 0.000 0.269 1031 T C 1.331 175.776 174.700 -0.424 0.000 1.127 1031 T CA 0.817 62.672 62.100 -0.408 0.000 1.107 1031 T CB -0.497 68.127 68.868 -0.407 0.000 0.898 1031 T HN 0.318 nan 8.240 nan 0.000 0.517 1032 Y N 2.001 122.073 120.300 -0.381 0.000 2.373 1032 Y HA 0.241 4.790 4.550 -0.002 0.000 0.293 1032 Y C 2.505 178.115 175.900 -0.483 0.000 1.129 1032 Y CA 0.462 58.251 58.100 -0.517 0.000 1.226 1032 Y CB -0.685 37.339 38.460 -0.726 0.000 1.000 1032 Y HN 0.449 nan 8.280 nan 0.000 0.549 1033 G N -0.379 108.317 108.800 -0.174 0.000 2.458 1033 G HA2 -0.434 3.525 3.960 -0.002 0.000 0.237 1033 G HA3 -0.434 3.525 3.960 -0.002 0.000 0.237 1033 G C 0.886 175.958 174.900 0.288 0.000 1.113 1033 G CA 0.859 46.018 45.100 0.099 0.000 0.655 1033 G HN 0.555 nan 8.290 nan 0.000 0.513 1034 Y N 0.309 120.786 120.300 0.294 0.000 2.507 1034 Y HA 0.747 5.296 4.550 -0.002 0.000 0.254 1034 Y C 0.547 176.578 175.900 0.218 0.000 1.171 1034 Y CA -0.801 57.482 58.100 0.305 0.000 1.238 1034 Y CB -0.214 38.537 38.460 0.485 0.000 1.148 1034 Y HN 0.245 nan 8.280 nan 0.000 0.525 1035 V N 2.022 122.016 119.914 0.133 0.000 2.427 1035 V HA 0.126 4.245 4.120 -0.002 0.000 0.286 1035 V C -0.778 175.319 176.094 0.005 0.000 1.034 1035 V CA -1.096 61.278 62.300 0.123 0.000 0.893 1035 V CB 0.786 32.596 31.823 -0.021 0.000 0.982 1035 V HN 0.294 nan 8.190 nan 0.000 0.452 1036 Y N 5.366 125.519 120.300 -0.246 0.000 2.436 1036 Y HA 0.497 5.045 4.550 -0.002 0.000 0.336 1036 Y C -0.196 175.676 175.900 -0.046 0.000 1.049 1036 Y CA 0.146 58.038 58.100 -0.346 0.000 1.294 1036 Y CB 0.876 38.934 38.460 -0.671 0.000 1.179 1036 Y HN 0.413 nan 8.280 nan 0.000 0.520 1037 V N 5.263 124.925 119.914 -0.421 0.000 2.823 1037 V HA 0.942 5.061 4.120 -0.002 0.000 0.312 1037 V C -0.670 175.308 176.094 -0.193 0.000 1.072 1037 V CA -0.498 61.709 62.300 -0.156 0.000 0.937 1037 V CB 1.456 33.274 31.823 -0.009 0.000 1.013 1037 V HN 0.934 nan 8.190 nan 0.000 0.430 1038 A N 2.187 125.011 122.820 0.006 0.000 2.594 1038 A HA 0.844 5.163 4.320 -0.002 0.000 0.296 1038 A C -0.516 177.046 177.584 -0.037 0.000 1.056 1038 A CA -0.269 51.767 52.037 -0.001 0.000 0.693 1038 A CB 1.932 20.970 19.000 0.063 0.000 1.278 1038 A HN 0.996 nan 8.150 nan 0.000 0.408 1039 T N -0.896 113.472 114.554 -0.310 0.000 2.885 1039 T HA 0.851 5.200 4.350 -0.002 0.000 0.285 1039 T C 0.048 174.832 174.700 0.140 0.000 1.019 1039 T CA -0.103 61.906 62.100 -0.152 0.000 1.010 1039 T CB 1.168 69.661 68.868 -0.625 0.000 1.022 1039 T HN 2.127 nan 8.240 nan 0.000 0.466 1040 V N -1.827 118.337 119.914 0.416 0.000 3.160 1040 V HA 0.978 5.097 4.120 -0.002 0.000 0.310 1040 V C -0.540 175.828 176.094 0.457 0.000 1.181 1040 V CA -0.888 61.698 62.300 0.477 0.000 1.047 1040 V CB 1.761 33.998 31.823 0.690 0.000 1.068 1040 V HN 1.146 nan 8.190 nan 0.000 0.441 1041 S N 1.508 117.441 115.700 0.389 0.000 2.357 1041 S HA 0.276 4.745 4.470 -0.002 0.000 0.209 1041 S C 0.333 175.063 174.600 0.217 0.000 0.981 1041 S CA 0.092 58.458 58.200 0.278 0.000 1.106 1041 S CB 0.798 64.096 63.200 0.163 0.000 1.266 1041 S HN 1.084 nan 8.310 nan 0.000 0.410 1042 M N 3.764 123.386 119.600 0.036 0.000 2.226 1042 M HA -0.125 4.354 4.480 -0.002 0.000 0.257 1042 M C 2.036 178.330 176.300 -0.009 0.000 1.070 1042 M CA 2.837 58.044 55.300 -0.155 0.000 1.087 1042 M CB -0.956 31.285 32.600 -0.599 0.000 1.278 1042 M HN 0.799 nan 8.290 nan 0.000 0.426 1043 G N -1.474 107.331 108.800 0.008 0.000 2.507 1043 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.221 1043 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.221 1043 G C 1.185 176.136 174.900 0.085 0.000 1.119 1043 G CA 1.457 46.583 45.100 0.044 0.000 0.751 1043 G HN 0.682 nan 8.290 nan 0.000 0.574 1044 Y N 0.509 120.814 120.300 0.008 0.000 2.269 1044 Y HA 0.339 4.888 4.550 -0.002 0.000 0.294 1044 Y C 1.123 177.034 175.900 0.018 0.000 1.120 1044 Y CA 1.085 59.193 58.100 0.014 0.000 1.159 1044 Y CB 0.470 38.948 38.460 0.031 0.000 1.024 1044 Y HN 0.155 nan 8.280 nan 0.000 0.532 1045 S N -0.010 115.729 115.700 0.065 0.000 2.382 1045 S HA 0.256 4.725 4.470 -0.002 0.000 0.228 1045 S C -0.096 174.558 174.600 0.091 0.000 0.996 1045 S CA -0.766 57.423 58.200 -0.018 0.000 1.094 1045 S CB 0.373 63.586 63.200 0.022 0.000 1.209 1045 S HN 0.359 nan 8.310 nan 0.000 0.420 1046 K N 2.173 122.558 120.400 -0.026 0.000 2.147 1046 K HA -0.139 4.180 4.320 -0.002 0.000 0.205 1046 K C 1.658 178.307 176.600 0.082 0.000 1.049 1046 K CA 1.509 57.788 56.287 -0.013 0.000 0.936 1046 K CB -0.069 32.056 32.500 -0.625 0.000 0.722 1046 K HN 0.481 nan 8.250 nan 0.000 0.446 1047 Q N 0.942 120.731 119.800 -0.018 0.000 2.096 1047 Q HA -0.175 4.164 4.340 -0.002 0.000 0.204 1047 Q C 2.079 178.145 176.000 0.109 0.000 0.982 1047 Q CA 1.354 57.166 55.803 0.015 0.000 0.850 1047 Q CB -0.187 28.535 28.738 -0.028 0.000 0.901 1047 Q HN 0.261 nan 8.270 nan 0.000 0.422 1048 Q N -0.677 119.218 119.800 0.159 0.000 2.297 1048 Q HA -0.099 4.240 4.340 -0.002 0.000 0.204 1048 Q C 1.641 177.827 176.000 0.310 0.000 0.962 1048 Q CA 0.720 56.649 55.803 0.210 0.000 0.879 1048 Q CB -0.027 28.849 28.738 0.230 0.000 0.947 1048 Q HN 0.444 nan 8.270 nan 0.000 0.462 1049 F N 0.823 120.900 119.950 0.212 0.000 2.163 1049 F HA -0.082 4.444 4.527 -0.002 0.000 0.297 1049 F C 1.763 177.732 175.800 0.283 0.000 1.094 1049 F CA 0.958 59.134 58.000 0.293 0.000 1.290 1049 F CB -0.312 38.894 39.000 0.343 0.000 1.017 1049 F HN 0.008 nan 8.300 nan 0.000 0.483 1050 L N 0.231 121.514 121.223 0.100 0.000 2.093 1050 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 1050 L C 2.610 179.497 176.870 0.028 0.000 1.085 1050 L CA 1.586 56.416 54.840 -0.016 0.000 0.755 1050 L CB -0.788 41.323 42.059 0.086 0.000 0.904 1050 L HN 0.085 nan 8.230 nan 0.000 0.435 1051 K N 0.251 120.704 120.400 0.089 0.000 2.026 1051 K HA -0.169 4.150 4.320 -0.002 0.000 0.208 1051 K C 2.067 178.748 176.600 0.134 0.000 1.048 1051 K CA 1.548 57.898 56.287 0.105 0.000 0.929 1051 K CB -0.051 32.518 32.500 0.114 0.000 0.713 1051 K HN 0.049 nan 8.250 nan 0.000 0.439 1052 V N 2.058 122.078 119.914 0.176 0.000 2.255 1052 V HA -0.299 3.820 4.120 -0.002 0.000 0.247 1052 V C 2.389 178.617 176.094 0.223 0.000 1.051 1052 V CA 1.852 64.304 62.300 0.255 0.000 1.018 1052 V CB -0.433 31.588 31.823 0.330 0.000 0.641 1052 V HN 0.351 nan 8.190 nan 0.000 0.445 1053 L N -0.146 121.162 121.223 0.142 0.000 2.043 1053 L HA -0.269 4.070 4.340 -0.002 0.000 0.212 1053 L C 2.604 179.660 176.870 0.311 0.000 1.075 1053 L CA 2.261 57.246 54.840 0.241 0.000 0.752 1053 L CB -0.757 41.369 42.059 0.111 0.000 0.891 1053 L HN 0.393 nan 8.230 nan 0.000 0.432 1054 K N 0.727 121.264 120.400 0.229 0.000 1.985 1054 K HA -0.211 4.108 4.320 -0.002 0.000 0.210 1054 K C 1.913 178.569 176.600 0.092 0.000 1.047 1054 K CA 1.803 58.215 56.287 0.210 0.000 0.932 1054 K CB -0.098 32.481 32.500 0.132 0.000 0.716 1054 K HN 0.331 nan 8.250 nan 0.000 0.439 1055 E N 0.094 120.302 120.200 0.014 0.000 2.110 1055 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 1055 E C 1.966 178.228 176.600 -0.564 0.000 0.988 1055 E CA 1.017 57.313 56.400 -0.173 0.000 0.804 1055 E CB -0.091 29.565 29.700 -0.073 0.000 0.745 1055 E HN 0.464 nan 8.360 nan 0.000 0.458 1056 A N 1.743 124.291 122.820 -0.454 0.000 1.832 1056 A HA -0.188 4.131 4.320 -0.002 0.000 0.214 1056 A C 2.187 179.638 177.584 -0.220 0.000 1.204 1056 A CA 1.164 52.912 52.037 -0.481 0.000 0.606 1056 A CB -0.391 18.646 19.000 0.063 0.000 0.849 1056 A HN 0.091 nan 8.150 nan 0.000 0.445 1057 E N 0.872 121.001 120.200 -0.117 0.000 2.118 1057 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 1057 E C 2.318 178.862 176.600 -0.093 0.000 0.992 1057 E CA 1.827 58.108 56.400 -0.199 0.000 0.804 1057 E CB -0.289 29.237 29.700 -0.289 0.000 0.741 1057 E HN 0.641 nan 8.360 nan 0.000 0.458 1058 S N -0.154 115.540 115.700 -0.009 0.000 2.428 1058 S HA -0.113 4.356 4.470 -0.002 0.000 0.230 1058 S C 1.004 175.614 174.600 0.018 0.000 1.014 1058 S CA -0.196 58.019 58.200 0.025 0.000 0.957 1058 S CB -0.630 62.604 63.200 0.057 0.000 0.784 1058 S HN 0.213 nan 8.310 nan 0.000 0.499 1059 F N 5.673 125.513 119.950 -0.183 0.000 2.623 1059 F HA 0.259 4.785 4.527 -0.002 0.000 0.383 1059 F C -2.004 173.755 175.800 -0.068 0.000 1.077 1059 F CA -2.546 55.364 58.000 -0.149 0.000 1.268 1059 F CB 0.539 39.390 39.000 -0.248 0.000 1.053 1059 F HN 0.076 nan 8.300 nan 0.000 0.571 1060 P HA 0.236 nan 4.420 nan 0.000 0.237 1060 P C -0.100 176.824 177.300 -0.628 0.000 1.723 1060 P CA 0.446 63.255 63.100 -0.485 0.000 0.882 1060 P CB -0.220 31.297 31.700 -0.306 0.000 1.810 1061 G N 0.224 108.625 108.800 -0.666 0.000 2.494 1061 G HA2 0.359 4.318 3.960 -0.002 0.000 0.308 1061 G HA3 0.359 4.318 3.960 -0.002 0.000 0.308 1061 G C -3.504 171.495 174.900 0.165 0.000 1.263 1061 G CA -1.019 43.921 45.100 -0.266 0.000 0.840 1061 G HN -0.230 nan 8.290 nan 0.000 0.479 1062 P HA 0.348 nan 4.420 nan 0.000 0.264 1062 P C -0.649 176.851 177.300 0.334 0.000 1.193 1062 P CA 0.476 63.731 63.100 0.260 0.000 0.763 1062 P CB 1.120 32.947 31.700 0.212 0.000 0.810 1063 S N 2.955 118.772 115.700 0.195 0.000 2.557 1063 S HA 0.570 5.039 4.470 -0.002 0.000 0.291 1063 S C -0.916 173.794 174.600 0.183 0.000 1.116 1063 S CA -0.619 57.710 58.200 0.214 0.000 0.992 1063 S CB 0.728 63.987 63.200 0.098 0.000 1.028 1063 S HN 0.348 nan 8.310 nan 0.000 0.484 1064 L N 4.131 125.491 121.223 0.228 0.000 2.372 1064 L HA 0.690 5.029 4.340 -0.002 0.000 0.274 1064 L C -1.639 175.386 176.870 0.259 0.000 0.988 1064 L CA -0.571 54.397 54.840 0.214 0.000 0.833 1064 L CB 1.153 43.290 42.059 0.131 0.000 1.236 1064 L HN 0.437 nan 8.230 nan 0.000 0.410 1065 V N 6.097 126.216 119.914 0.342 0.000 2.487 1065 V HA 0.482 4.601 4.120 -0.002 0.000 0.298 1065 V C -0.025 176.220 176.094 0.253 0.000 1.028 1065 V CA -0.401 62.129 62.300 0.383 0.000 0.860 1065 V CB 1.998 34.205 31.823 0.640 0.000 0.991 1065 V HN 0.552 nan 8.190 nan 0.000 0.427 1066 I N 4.078 124.773 120.570 0.208 0.000 2.362 1066 I HA 0.733 4.902 4.170 -0.002 0.000 0.289 1066 I C 0.275 176.549 176.117 0.262 0.000 0.994 1066 I CA -0.488 60.927 61.300 0.192 0.000 1.158 1066 I CB 1.787 39.947 38.000 0.268 0.000 1.315 1066 I HN 0.674 nan 8.210 nan 0.000 0.451 1067 A N 5.886 128.666 122.820 -0.067 0.000 2.318 1067 A HA 0.440 4.759 4.320 -0.002 0.000 0.324 1067 A C -1.151 176.211 177.584 -0.370 0.000 1.170 1067 A CA -0.432 51.460 52.037 -0.242 0.000 0.810 1067 A CB 0.609 19.055 19.000 -0.923 0.000 1.198 1067 A HN 0.647 nan 8.150 nan 0.000 0.484 1068 Y N 2.803 122.708 120.300 -0.658 0.000 2.531 1068 Y HA 0.419 4.968 4.550 -0.002 0.000 0.347 1068 Y C 0.353 176.026 175.900 -0.378 0.000 1.024 1068 Y CA 0.028 57.511 58.100 -1.028 0.000 1.306 1068 Y CB 0.245 37.787 38.460 -1.529 0.000 1.149 1068 Y HN 0.782 nan 8.280 nan 0.000 0.527 1069 A N 5.241 127.663 122.820 -0.663 0.000 2.304 1069 A HA 0.486 4.805 4.320 -0.002 0.000 0.314 1069 A C -0.021 177.322 177.584 -0.401 0.000 1.187 1069 A CA -0.431 51.416 52.037 -0.317 0.000 0.810 1069 A CB 0.057 18.946 19.000 -0.184 0.000 1.183 1069 A HN 0.788 nan 8.150 nan 0.000 0.487 1070 T N -0.749 113.679 114.554 -0.209 0.000 2.926 1070 T HA 0.436 4.785 4.350 -0.002 0.000 0.307 1070 T C 0.057 174.714 174.700 -0.071 0.000 1.059 1070 T CA -0.392 61.634 62.100 -0.123 0.000 1.122 1070 T CB 0.780 69.658 68.868 0.017 0.000 0.972 1070 T HN 1.232 nan 8.240 nan 0.000 0.545 1071 C N 3.872 123.143 119.300 -0.049 0.000 2.994 1071 C HA 0.564 5.023 4.460 -0.002 0.000 0.305 1071 C C 1.546 176.538 174.990 0.003 0.000 1.251 1071 C CA -0.936 58.074 59.018 -0.014 0.000 1.478 1071 C CB 0.067 27.797 27.740 -0.016 0.000 1.922 1071 C HN 1.038 nan 8.230 nan 0.000 0.472 1072 I N 1.818 122.397 120.570 0.016 0.000 2.700 1072 I HA -0.039 4.130 4.170 -0.002 0.000 0.261 1072 I C 1.525 177.647 176.117 0.009 0.000 1.219 1072 I CA 1.667 62.978 61.300 0.017 0.000 1.463 1072 I CB -1.064 36.952 38.000 0.026 0.000 1.092 1072 I HN 0.722 nan 8.210 nan 0.000 0.452 1073 N N 0.513 119.216 118.700 0.006 0.000 2.396 1073 N HA -0.116 4.623 4.740 -0.002 0.000 0.180 1073 N C 1.709 177.211 175.510 -0.013 0.000 1.028 1073 N CA 0.626 53.674 53.050 -0.004 0.000 0.893 1073 N CB -0.121 38.367 38.487 0.001 0.000 0.967 1073 N HN 0.582 nan 8.380 nan 0.000 0.440 1074 Q N 0.072 119.869 119.800 -0.005 0.000 2.311 1074 Q HA 0.052 4.391 4.340 -0.002 0.000 0.203 1074 Q C 0.495 176.500 176.000 0.007 0.000 0.954 1074 Q CA 0.359 56.164 55.803 0.004 0.000 0.885 1074 Q CB 0.362 29.116 28.738 0.027 0.000 0.963 1074 Q HN 0.337 nan 8.270 nan 0.000 0.471 1075 G N 1.842 110.645 108.800 0.005 0.000 2.415 1075 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.283 1075 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.283 1075 G C -0.376 174.528 174.900 0.008 0.000 1.014 1075 G CA -0.256 44.847 45.100 0.005 0.000 1.323 1075 G HN 0.200 nan 8.290 nan 0.000 0.502 1076 L N 0.993 122.221 121.223 0.009 0.000 2.410 1076 L HA 0.245 4.584 4.340 -0.002 0.000 0.273 1076 L C 2.058 178.930 176.870 0.004 0.000 1.152 1076 L CA -0.361 54.480 54.840 0.002 0.000 0.855 1076 L CB 0.685 42.753 42.059 0.014 0.000 1.129 1076 L HN 0.581 nan 8.230 nan 0.000 0.463 1077 R N 2.832 123.330 120.500 -0.004 0.000 2.105 1077 R HA -0.132 4.207 4.340 -0.002 0.000 0.239 1077 R C 1.213 177.517 176.300 0.007 0.000 1.135 1077 R CA 1.598 57.699 56.100 0.001 0.000 0.967 1077 R CB 0.161 30.459 30.300 -0.005 0.000 0.861 1077 R HN 0.572 nan 8.270 nan 0.000 0.442 1078 K N -0.326 120.080 120.400 0.009 0.000 2.387 1078 K HA 0.206 4.525 4.320 -0.002 0.000 0.198 1078 K C -0.063 176.549 176.600 0.019 0.000 1.022 1078 K CA 0.312 56.608 56.287 0.014 0.000 1.128 1078 K CB 1.264 33.774 32.500 0.016 0.000 0.853 1078 K HN 0.424 nan 8.250 nan 0.000 0.523 1079 G N 1.107 109.918 108.800 0.019 0.000 2.662 1079 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.686 1079 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.686 1079 G C 0.257 175.173 174.900 0.027 0.000 1.271 1079 G CA -0.850 44.264 45.100 0.023 0.000 0.816 1079 G HN -0.063 nan 8.290 nan 0.000 0.608 1080 M N 1.164 120.782 119.600 0.029 0.000 2.632 1080 M HA 0.017 4.496 4.480 -0.002 0.000 0.256 1080 M C 2.449 178.769 176.300 0.033 0.000 1.080 1080 M CA 1.741 57.060 55.300 0.032 0.000 1.084 1080 M CB -1.266 31.354 32.600 0.033 0.000 1.439 1080 M HN 0.996 nan 8.290 nan 0.000 0.509 1081 G N 0.078 108.897 108.800 0.032 0.000 2.650 1081 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.214 1081 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.214 1081 G C 1.587 176.507 174.900 0.033 0.000 1.136 1081 G CA 0.191 45.310 45.100 0.032 0.000 0.789 1081 G HN 0.376 nan 8.290 nan 0.000 0.536 1082 K N 0.825 121.248 120.400 0.037 0.000 2.387 1082 K HA 0.196 4.515 4.320 -0.002 0.000 0.198 1082 K C 2.072 178.708 176.600 0.060 0.000 1.022 1082 K CA -0.006 56.308 56.287 0.044 0.000 1.128 1082 K CB 0.516 33.041 32.500 0.042 0.000 0.853 1082 K HN 0.140 nan 8.250 nan 0.000 0.523 1083 S N 1.973 117.706 115.700 0.055 0.000 2.369 1083 S HA -0.196 4.273 4.470 -0.002 0.000 0.225 1083 S C 1.840 176.489 174.600 0.083 0.000 1.043 1083 S CA 1.377 59.619 58.200 0.070 0.000 1.074 1083 S CB -0.073 63.153 63.200 0.043 0.000 0.962 1083 S HN 0.338 nan 8.310 nan 0.000 0.433 1084 Q N 0.669 120.499 119.800 0.050 0.000 2.096 1084 Q HA -0.154 4.185 4.340 -0.002 0.000 0.204 1084 Q C 1.818 177.857 176.000 0.064 0.000 0.982 1084 Q CA 1.453 57.280 55.803 0.041 0.000 0.850 1084 Q CB -0.707 28.042 28.738 0.017 0.000 0.901 1084 Q HN 0.535 nan 8.270 nan 0.000 0.422 1085 D N -0.382 120.057 120.400 0.065 0.000 2.269 1085 D HA -0.074 4.566 4.640 -0.002 0.000 0.208 1085 D C 1.732 178.096 176.300 0.106 0.000 0.963 1085 D CA 0.308 54.351 54.000 0.071 0.000 0.864 1085 D CB 0.380 41.214 40.800 0.057 0.000 0.936 1085 D HN -0.013 nan 8.370 nan 0.000 0.505 1086 V N 0.166 120.164 119.914 0.140 0.000 2.535 1086 V HA -0.142 3.977 4.120 -0.002 0.000 0.246 1086 V C 2.256 178.492 176.094 0.236 0.000 1.045 1086 V CA 1.075 63.513 62.300 0.229 0.000 1.058 1086 V CB -0.312 31.657 31.823 0.242 0.000 0.689 1086 V HN 0.282 nan 8.190 nan 0.000 0.461 1087 M N 0.142 119.862 119.600 0.199 0.000 2.159 1087 M HA -0.183 4.296 4.480 -0.002 0.000 0.263 1087 M C 2.103 178.432 176.300 0.049 0.000 1.063 1087 M CA 2.032 57.424 55.300 0.153 0.000 1.110 1087 M CB -0.830 31.881 32.600 0.184 0.000 1.374 1087 M HN 0.449 nan 8.290 nan 0.000 0.411 1088 N N -0.041 118.724 118.700 0.109 0.000 2.058 1088 N HA -0.157 4.582 4.740 -0.002 0.000 0.191 1088 N C 1.423 176.976 175.510 0.072 0.000 1.037 1088 N CA 1.833 54.986 53.050 0.172 0.000 0.848 1088 N CB 0.118 38.684 38.487 0.131 0.000 1.021 1088 N HN 0.245 nan 8.380 nan 0.000 0.422 1089 T N 0.568 115.122 114.554 0.000 0.000 2.788 1089 T HA -0.077 4.272 4.350 -0.002 0.000 0.268 1089 T C 1.902 176.303 174.700 -0.499 0.000 1.044 1089 T CA 1.050 63.072 62.100 -0.130 0.000 1.139 1089 T CB -0.400 68.490 68.868 0.038 0.000 0.867 1089 T HN 0.432 nan 8.240 nan 0.000 0.454 1090 A N 0.891 123.350 122.820 -0.602 0.000 1.948 1090 A HA -0.112 4.207 4.320 -0.002 0.000 0.220 1090 A C 2.542 179.844 177.584 -0.470 0.000 1.177 1090 A CA 1.717 53.233 52.037 -0.868 0.000 0.636 1090 A CB -0.928 17.545 19.000 -0.878 0.000 0.815 1090 A HN 0.400 nan 8.150 nan 0.000 0.449 1091 V N -0.435 119.258 119.914 -0.369 0.000 2.379 1091 V HA -0.177 3.942 4.120 -0.002 0.000 0.243 1091 V C 2.364 178.214 176.094 -0.407 0.000 1.035 1091 V CA 2.041 64.085 62.300 -0.427 0.000 1.035 1091 V CB -0.641 30.621 31.823 -0.935 0.000 0.673 1091 V HN 0.520 nan 8.190 nan 0.000 0.457 1092 K N 1.339 121.558 120.400 -0.302 0.000 2.032 1092 K HA -0.180 4.139 4.320 -0.002 0.000 0.209 1092 K C 2.338 178.824 176.600 -0.189 0.000 1.048 1092 K CA 1.917 58.110 56.287 -0.157 0.000 0.927 1092 K CB -0.482 32.005 32.500 -0.021 0.000 0.712 1092 K HN 0.607 nan 8.250 nan 0.000 0.441 1093 S N -0.360 115.198 115.700 -0.237 0.000 2.442 1093 S HA -0.065 4.404 4.470 -0.002 0.000 0.236 1093 S C 1.580 176.078 174.600 -0.171 0.000 1.007 1093 S CA 0.986 59.063 58.200 -0.205 0.000 0.965 1093 S CB -0.330 62.690 63.200 -0.299 0.000 0.773 1093 S HN 0.529 nan 8.310 nan 0.000 0.504 1094 G N -0.133 108.549 108.800 -0.197 0.000 2.157 1094 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.239 1094 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.239 1094 G C 0.276 175.150 174.900 -0.043 0.000 0.982 1094 G CA 0.355 45.355 45.100 -0.167 0.000 0.650 1094 G HN 0.568 nan 8.290 nan 0.000 0.527 1095 Y N -0.498 119.686 120.300 -0.194 0.000 2.242 1095 Y HA 0.240 4.789 4.550 -0.001 0.000 0.291 1095 Y C 1.305 177.229 175.900 0.039 0.000 1.137 1095 Y CA 1.818 59.859 58.100 -0.098 0.000 1.181 1095 Y CB 0.238 38.539 38.460 -0.265 0.000 0.989 1095 Y HN 0.373 nan 8.280 nan 0.000 0.527 1096 W N 4.517 125.693 121.300 -0.208 0.000 2.237 1096 W HA 0.312 4.972 4.660 -0.001 0.000 0.289 1096 W C -3.036 173.390 176.519 -0.154 0.000 0.988 1096 W CA -2.183 55.042 57.345 -0.201 0.000 1.671 1096 W CB 0.752 30.056 29.460 -0.259 0.000 1.746 1096 W HN -0.041 nan 8.180 nan 0.000 0.380 1097 P HA 0.076 nan 4.420 nan 0.000 0.271 1097 P C -0.219 177.062 177.300 -0.032 0.000 1.220 1097 P CA 0.408 63.542 63.100 0.057 0.000 0.768 1097 P CB 1.662 33.547 31.700 0.309 0.000 0.848 1098 L N 4.998 126.217 121.223 -0.006 0.000 2.350 1098 L HA 0.522 4.861 4.340 -0.002 0.000 0.275 1098 L C 0.489 177.351 176.870 -0.013 0.000 1.099 1098 L CA -0.450 54.336 54.840 -0.090 0.000 0.808 1098 L CB 0.048 42.140 42.059 0.054 0.000 1.149 1098 L HN 0.455 nan 8.230 nan 0.000 0.442 1099 F N 0.449 120.395 119.950 -0.008 0.000 2.817 1099 F HA 0.761 5.287 4.527 -0.001 0.000 0.317 1099 F C -1.208 174.500 175.800 -0.154 0.000 1.168 1099 F CA -1.518 56.377 58.000 -0.176 0.000 0.911 1099 F CB 1.564 40.405 39.000 -0.264 0.000 1.337 1099 F HN 0.235 nan 8.300 nan 0.000 0.464 1100 R N 0.420 120.953 120.500 0.055 0.000 2.535 1100 R HA 0.360 4.699 4.340 -0.002 0.000 0.274 1100 R C -2.467 173.771 176.300 -0.104 0.000 1.090 1100 R CA -0.833 55.253 56.100 -0.024 0.000 0.930 1100 R CB 2.574 32.851 30.300 -0.038 0.000 1.223 1100 R HN 0.834 nan 8.270 nan 0.000 0.441 1101 Y N 2.507 122.641 120.300 -0.278 0.000 2.478 1101 Y HA 0.244 4.792 4.550 -0.002 0.000 0.329 1101 Y C -0.862 174.763 175.900 -0.458 0.000 0.967 1101 Y CA -0.593 57.378 58.100 -0.215 0.000 1.255 1101 Y CB 0.948 39.346 38.460 -0.103 0.000 1.103 1101 Y HN 0.450 nan 8.280 nan 0.000 0.497 1102 D N 8.472 128.567 120.400 -0.509 0.000 2.454 1102 D HA 0.279 4.918 4.640 -0.002 0.000 0.225 1102 D C -2.102 173.932 176.300 -0.443 0.000 1.081 1102 D CA -2.376 51.462 54.000 -0.270 0.000 0.864 1102 D CB 2.109 42.919 40.800 0.016 0.000 1.040 1102 D HN 0.318 nan 8.370 nan 0.000 0.517 1103 P HA -0.166 nan 4.420 nan 0.000 0.216 1103 P C 1.204 178.366 177.300 -0.231 0.000 1.150 1103 P CA 1.251 64.078 63.100 -0.455 0.000 0.843 1103 P CB 0.112 31.390 31.700 -0.704 0.000 0.787 1104 R N -0.390 120.046 120.500 -0.107 0.000 2.241 1104 R HA -0.043 4.297 4.340 -0.002 0.000 0.224 1104 R C 1.934 178.336 176.300 0.169 0.000 1.101 1104 R CA 1.016 57.283 56.100 0.278 0.000 0.995 1104 R CB -1.404 29.110 30.300 0.356 0.000 0.870 1104 R HN 0.253 nan 8.270 nan 0.000 0.463 1105 L N 0.819 122.050 121.223 0.014 0.000 2.109 1105 L HA 0.000 4.339 4.340 -0.002 0.000 0.207 1105 L C 2.769 179.639 176.870 -0.001 0.000 1.086 1105 L CA 1.038 55.860 54.840 -0.030 0.000 0.760 1105 L CB -0.476 41.493 42.059 -0.150 0.000 0.910 1105 L HN 0.309 nan 8.230 nan 0.000 0.437 1106 A N 0.130 122.951 122.820 0.002 0.000 1.972 1106 A HA -0.097 4.222 4.320 -0.002 0.000 0.219 1106 A C 2.342 180.106 177.584 0.299 0.000 1.169 1106 A CA 1.414 53.564 52.037 0.188 0.000 0.635 1106 A CB -0.518 18.630 19.000 0.247 0.000 0.810 1106 A HN 0.377 nan 8.150 nan 0.000 0.446 1107 A N -0.347 122.650 122.820 0.296 0.000 2.239 1107 A HA 0.031 4.350 4.320 -0.002 0.000 0.209 1107 A C 1.458 179.150 177.584 0.180 0.000 1.171 1107 A CA 1.137 53.335 52.037 0.268 0.000 0.768 1107 A CB -0.437 18.772 19.000 0.348 0.000 0.790 1107 A HN 0.781 nan 8.150 nan 0.000 0.478 1108 Q N -2.745 117.155 119.800 0.167 0.000 2.106 1108 Q HA 0.430 4.769 4.340 -0.002 0.000 0.273 1108 Q C 0.645 176.726 176.000 0.135 0.000 0.853 1108 Q CA 0.134 56.011 55.803 0.123 0.000 1.118 1108 Q CB -0.299 28.496 28.738 0.095 0.000 1.240 1108 Q HN 0.776 nan 8.270 nan 0.000 0.445 1109 G N 1.518 110.440 108.800 0.204 0.000 2.168 1109 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.263 1109 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.263 1109 G C -0.145 174.956 174.900 0.335 0.000 0.977 1109 G CA 0.590 45.848 45.100 0.262 0.000 0.659 1109 G HN 0.339 nan 8.290 nan 0.000 0.533 1110 K N 0.340 120.835 120.400 0.159 0.000 2.130 1110 K HA 0.325 4.644 4.320 -0.002 0.000 0.268 1110 K C 0.073 176.317 176.600 -0.594 0.000 0.983 1110 K CA -0.916 55.332 56.287 -0.064 0.000 0.893 1110 K CB 0.784 33.240 32.500 -0.072 0.000 1.066 1110 K HN 0.094 nan 8.250 nan 0.000 0.450 1111 N N 4.357 122.587 118.700 -0.784 0.000 2.429 1111 N HA -0.017 4.722 4.740 -0.002 0.000 0.271 1111 N C -1.588 173.476 175.510 -0.743 0.000 1.272 1111 N CA -1.390 50.920 53.050 -1.233 0.000 0.921 1111 N CB 0.739 38.917 38.487 -0.516 0.000 1.128 1111 N HN 0.370 nan 8.380 nan 0.000 0.481 1112 P HA -0.109 nan 4.420 nan 0.000 0.226 1112 P C -0.012 176.943 177.300 -0.574 0.000 1.146 1112 P CA 0.655 63.313 63.100 -0.737 0.000 0.773 1112 P CB 0.007 31.052 31.700 -1.091 0.000 0.772 1113 F N 1.480 121.157 119.950 -0.455 0.000 2.420 1113 F HA 0.392 4.918 4.527 -0.002 0.000 0.342 1113 F C -0.038 175.664 175.800 -0.164 0.000 1.113 1113 F CA -0.761 57.109 58.000 -0.216 0.000 1.059 1113 F CB 1.235 40.172 39.000 -0.104 0.000 1.128 1113 F HN -0.226 nan 8.300 nan 0.000 0.475 1114 Q N 6.376 125.708 119.800 -0.780 0.000 2.304 1114 Q HA 0.433 4.772 4.340 -0.002 0.000 0.270 1114 Q C -1.385 174.237 176.000 -0.629 0.000 1.035 1114 Q CA -0.798 54.692 55.803 -0.522 0.000 0.781 1114 Q CB 2.948 31.528 28.738 -0.262 0.000 1.261 1114 Q HN 0.637 nan 8.270 nan 0.000 0.444 1115 L N 2.846 123.832 121.223 -0.395 0.000 2.276 1115 L HA 0.229 4.568 4.340 -0.002 0.000 0.286 1115 L C 0.137 176.993 176.870 -0.023 0.000 1.061 1115 L CA -0.028 54.701 54.840 -0.185 0.000 0.807 1115 L CB 0.823 42.836 42.059 -0.077 0.000 1.177 1115 L HN 0.754 nan 8.230 nan 0.000 0.429 1116 D N 0.866 121.296 120.400 0.050 0.000 2.369 1116 D HA 0.051 4.690 4.640 -0.002 0.000 0.211 1116 D C 0.557 176.963 176.300 0.177 0.000 1.077 1116 D CA 0.295 54.358 54.000 0.104 0.000 0.842 1116 D CB 0.703 41.572 40.800 0.114 0.000 0.947 1116 D HN 0.544 nan 8.370 nan 0.000 0.509 1117 S N -0.685 115.123 115.700 0.180 0.000 2.751 1117 S HA 0.643 5.112 4.470 -0.002 0.000 0.310 1117 S C -0.247 174.485 174.600 0.220 0.000 1.128 1117 S CA -0.845 57.456 58.200 0.167 0.000 0.931 1117 S CB 2.544 65.742 63.200 -0.005 0.000 1.177 1117 S HN -0.227 nan 8.310 nan 0.000 0.530 1118 K N 0.293 120.766 120.400 0.120 0.000 2.166 1118 K HA 0.742 5.061 4.320 -0.002 0.000 0.245 1118 K C -0.025 176.419 176.600 -0.261 0.000 0.967 1118 K CA -0.704 55.628 56.287 0.074 0.000 0.863 1118 K CB 1.508 34.043 32.500 0.058 0.000 1.107 1118 K HN 0.846 nan 8.250 nan 0.000 0.436 1119 A N 2.676 125.247 122.820 -0.416 0.000 2.583 1119 A HA 0.104 4.423 4.320 -0.002 0.000 0.231 1119 A C -2.112 175.109 177.584 -0.605 0.000 1.065 1119 A CA -0.606 50.803 52.037 -1.046 0.000 0.760 1119 A CB -0.810 17.974 19.000 -0.360 0.000 1.001 1119 A HN 0.433 nan 8.150 nan 0.000 0.509 1120 P HA -0.071 nan 4.420 nan 0.000 0.264 1120 P C 0.047 177.238 177.300 -0.181 0.000 1.173 1120 P CA 0.809 63.728 63.100 -0.300 0.000 0.761 1120 P CB 0.452 32.028 31.700 -0.208 0.000 0.794 1121 D N 1.559 121.883 120.400 -0.128 0.000 2.367 1121 D HA 0.059 4.698 4.640 -0.002 0.000 0.207 1121 D C 1.270 177.540 176.300 -0.050 0.000 1.034 1121 D CA 0.794 54.749 54.000 -0.075 0.000 0.861 1121 D CB -0.162 40.605 40.800 -0.055 0.000 0.943 1121 D HN 0.576 nan 8.370 nan 0.000 0.515 1122 G N 0.720 109.489 108.800 -0.051 0.000 2.179 1122 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.220 1122 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.220 1122 G C 0.917 175.808 174.900 -0.014 0.000 0.990 1122 G CA 0.496 45.581 45.100 -0.026 0.000 0.646 1122 G HN 0.593 nan 8.290 nan 0.000 0.517 1123 S N 0.152 115.839 115.700 -0.022 0.000 2.671 1123 S HA 0.366 4.835 4.470 -0.002 0.000 0.220 1123 S C 2.051 176.664 174.600 0.022 0.000 0.951 1123 S CA 0.876 59.075 58.200 -0.001 0.000 0.932 1123 S CB 0.498 63.696 63.200 -0.002 0.000 0.777 1123 S HN 0.644 nan 8.310 nan 0.000 0.508 1124 V N 1.639 121.559 119.914 0.009 0.000 2.287 1124 V HA -0.213 3.906 4.120 -0.002 0.000 0.248 1124 V C 2.859 178.986 176.094 0.055 0.000 1.053 1124 V CA 2.344 64.671 62.300 0.045 0.000 1.027 1124 V CB -0.955 30.893 31.823 0.042 0.000 0.646 1124 V HN 0.586 nan 8.190 nan 0.000 0.447 1125 E N 1.294 121.507 120.200 0.022 0.000 2.038 1125 E HA -0.280 4.069 4.350 -0.002 0.000 0.195 1125 E C 2.192 178.779 176.600 -0.021 0.000 1.000 1125 E CA 2.102 58.500 56.400 -0.004 0.000 0.803 1125 E CB -0.406 29.297 29.700 0.006 0.000 0.750 1125 E HN 0.833 nan 8.360 nan 0.000 0.448 1126 E N -0.804 119.400 120.200 0.006 0.000 2.338 1126 E HA -0.187 4.162 4.350 -0.002 0.000 0.197 1126 E C 1.955 178.554 176.600 -0.002 0.000 1.007 1126 E CA 0.821 57.221 56.400 0.001 0.000 0.849 1126 E CB -0.497 29.214 29.700 0.018 0.000 0.774 1126 E HN 0.408 nan 8.360 nan 0.000 0.506 1127 F N 1.884 121.744 119.950 -0.150 0.000 2.187 1127 F HA 0.083 4.609 4.527 -0.002 0.000 0.295 1127 F C 1.817 177.427 175.800 -0.317 0.000 1.091 1127 F CA 0.945 58.819 58.000 -0.209 0.000 1.308 1127 F CB -0.028 38.823 39.000 -0.250 0.000 1.030 1127 F HN -0.088 nan 8.300 nan 0.000 0.487 1128 L N -0.408 120.489 121.223 -0.543 0.000 2.072 1128 L HA -0.178 4.161 4.340 -0.002 0.000 0.205 1128 L C 2.317 178.919 176.870 -0.447 0.000 1.079 1128 L CA 0.817 55.123 54.840 -0.889 0.000 0.752 1128 L CB -0.678 40.919 42.059 -0.770 0.000 0.906 1128 L HN 0.139 nan 8.230 nan 0.000 0.436 1129 M N -0.353 119.115 119.600 -0.220 0.000 2.632 1129 M HA -0.045 4.434 4.480 -0.002 0.000 0.256 1129 M C 2.124 178.373 176.300 -0.084 0.000 1.080 1129 M CA 0.866 56.115 55.300 -0.086 0.000 1.084 1129 M CB -0.959 31.615 32.600 -0.043 0.000 1.439 1129 M HN 0.257 nan 8.290 nan 0.000 0.509 1130 A N -0.388 122.337 122.820 -0.158 0.000 2.132 1130 A HA 0.030 4.349 4.320 -0.002 0.000 0.213 1130 A C 0.924 178.444 177.584 -0.106 0.000 1.154 1130 A CA 0.267 52.234 52.037 -0.118 0.000 0.753 1130 A CB 0.041 18.962 19.000 -0.130 0.000 0.826 1130 A HN 0.489 nan 8.150 nan 0.000 0.469 1131 Q N 0.029 119.753 119.800 -0.126 0.000 2.307 1131 Q HA 0.205 4.544 4.340 -0.002 0.000 0.262 1131 Q C 0.437 176.487 176.000 0.084 0.000 0.961 1131 Q CA -0.643 55.152 55.803 -0.013 0.000 0.882 1131 Q CB 1.251 30.004 28.738 0.026 0.000 1.264 1131 Q HN 0.452 nan 8.270 nan 0.000 0.446 1132 N N 3.020 121.746 118.700 0.043 0.000 2.205 1132 N HA -0.196 4.543 4.740 -0.002 0.000 0.186 1132 N C 1.316 176.839 175.510 0.021 0.000 1.015 1132 N CA 1.247 54.317 53.050 0.033 0.000 0.862 1132 N CB 0.281 38.773 38.487 0.010 0.000 0.986 1132 N HN 0.609 nan 8.380 nan 0.000 0.429 1133 R N -1.265 119.227 120.500 -0.013 0.000 2.355 1133 R HA -0.076 4.263 4.340 -0.002 0.000 0.219 1133 R C 0.876 176.969 176.300 -0.345 0.000 1.107 1133 R CA 1.192 57.186 56.100 -0.178 0.000 1.021 1133 R CB -0.409 29.738 30.300 -0.255 0.000 0.852 1133 R HN 0.235 nan 8.270 nan 0.000 0.475 1134 F N -0.399 119.529 119.950 -0.038 0.000 2.640 1134 F HA 0.411 4.937 4.527 -0.002 0.000 0.285 1134 F C 2.474 178.267 175.800 -0.012 0.000 1.031 1134 F CA 0.176 58.160 58.000 -0.026 0.000 1.240 1134 F CB -0.137 38.825 39.000 -0.064 0.000 1.011 1134 F HN 0.031 nan 8.300 nan 0.000 0.656 1135 A N 0.736 123.659 122.820 0.170 0.000 1.972 1135 A HA -0.125 4.194 4.320 -0.002 0.000 0.219 1135 A C 2.211 179.838 177.584 0.071 0.000 1.169 1135 A CA 2.087 54.180 52.037 0.093 0.000 0.635 1135 A CB -1.311 17.721 19.000 0.054 0.000 0.810 1135 A HN 0.250 nan 8.150 nan 0.000 0.446 1136 V N -1.540 118.408 119.914 0.057 0.000 2.332 1136 V HA -0.286 3.833 4.120 -0.002 0.000 0.248 1136 V C 2.332 178.481 176.094 0.092 0.000 1.055 1136 V CA 2.012 64.343 62.300 0.051 0.000 1.038 1136 V CB -1.205 30.635 31.823 0.029 0.000 0.651 1136 V HN 0.475 nan 8.190 nan 0.000 0.450 1137 L N 0.475 121.765 121.223 0.112 0.000 2.046 1137 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 1137 L C 2.519 179.486 176.870 0.162 0.000 1.077 1137 L CA 2.298 57.246 54.840 0.180 0.000 0.747 1137 L CB -0.754 41.385 42.059 0.134 0.000 0.896 1137 L HN 0.419 nan 8.230 nan 0.000 0.432 1138 D N -0.456 120.012 120.400 0.114 0.000 2.384 1138 D HA -0.141 4.498 4.640 -0.002 0.000 0.222 1138 D C 2.152 178.482 176.300 0.051 0.000 0.976 1138 D CA 0.868 54.919 54.000 0.085 0.000 0.915 1138 D CB 0.277 41.120 40.800 0.072 0.000 0.896 1138 D HN 0.162 nan 8.370 nan 0.000 0.523 1139 R N -1.253 119.272 120.500 0.042 0.000 2.191 1139 R HA 0.118 4.457 4.340 -0.002 0.000 0.196 1139 R C 2.114 178.377 176.300 -0.061 0.000 0.991 1139 R CA 0.871 56.970 56.100 -0.003 0.000 1.075 1139 R CB 0.272 30.571 30.300 -0.000 0.000 1.040 1139 R HN 0.164 nan 8.270 nan 0.000 0.526 1140 S N -0.341 115.316 115.700 -0.071 0.000 2.475 1140 S HA 0.137 4.606 4.470 -0.002 0.000 0.224 1140 S C 0.489 174.679 174.600 -0.684 0.000 1.042 1140 S CA 0.053 58.046 58.200 -0.345 0.000 0.935 1140 S CB 0.223 63.261 63.200 -0.270 0.000 0.801 1140 S HN 0.111 nan 8.310 nan 0.000 0.509 1141 F N 2.455 122.410 119.950 0.008 0.000 2.710 1141 F HA 0.462 4.988 4.527 -0.002 0.000 0.345 1141 F C -2.111 173.700 175.800 0.019 0.000 1.362 1141 F CA -2.265 55.743 58.000 0.013 0.000 1.175 1141 F CB 1.482 40.490 39.000 0.012 0.000 1.561 1141 F HN -0.019 nan 8.300 nan 0.000 0.593 1142 P HA -0.199 nan 4.420 nan 0.000 0.218 1142 P C 0.871 178.226 177.300 0.091 0.000 1.148 1142 P CA 1.704 64.854 63.100 0.083 0.000 0.822 1142 P CB 0.480 32.203 31.700 0.038 0.000 0.784 1143 E N -0.005 120.255 120.200 0.100 0.000 2.051 1143 E HA -0.163 4.186 4.350 -0.002 0.000 0.192 1143 E C 1.803 178.458 176.600 0.092 0.000 0.991 1143 E CA 1.268 57.720 56.400 0.087 0.000 0.799 1143 E CB -0.408 29.343 29.700 0.086 0.000 0.748 1143 E HN 0.240 nan 8.360 nan 0.000 0.449 1144 D N 0.305 120.776 120.400 0.118 0.000 2.183 1144 D HA -0.041 4.598 4.640 -0.002 0.000 0.203 1144 D C 1.841 178.197 176.300 0.093 0.000 0.969 1144 D CA 1.056 55.110 54.000 0.089 0.000 0.842 1144 D CB -0.259 40.580 40.800 0.064 0.000 0.957 1144 D HN 0.152 nan 8.370 nan 0.000 0.484 1145 A N 1.325 124.215 122.820 0.117 0.000 1.865 1145 A HA -0.260 4.059 4.320 -0.002 0.000 0.217 1145 A C 2.077 179.722 177.584 0.102 0.000 1.191 1145 A CA 2.071 54.178 52.037 0.117 0.000 0.623 1145 A CB -0.611 18.462 19.000 0.123 0.000 0.826 1145 A HN 0.204 nan 8.150 nan 0.000 0.444 1146 K N -0.531 119.920 120.400 0.085 0.000 2.032 1146 K HA -0.226 4.093 4.320 -0.002 0.000 0.209 1146 K C 2.354 178.998 176.600 0.072 0.000 1.048 1146 K CA 1.787 58.116 56.287 0.070 0.000 0.927 1146 K CB -0.240 32.293 32.500 0.056 0.000 0.712 1146 K HN 0.441 nan 8.250 nan 0.000 0.441 1147 R N 0.564 121.107 120.500 0.072 0.000 2.073 1147 R HA -0.088 4.251 4.340 -0.002 0.000 0.234 1147 R C 2.437 178.788 176.300 0.085 0.000 1.134 1147 R CA 1.417 57.559 56.100 0.070 0.000 0.952 1147 R CB -0.246 30.090 30.300 0.062 0.000 0.850 1147 R HN 0.244 nan 8.270 nan 0.000 0.433 1148 L N 0.141 121.420 121.223 0.093 0.000 2.046 1148 L HA -0.145 4.194 4.340 -0.002 0.000 0.208 1148 L C 2.683 179.639 176.870 0.143 0.000 1.077 1148 L CA 1.398 56.306 54.840 0.114 0.000 0.747 1148 L CB -0.317 41.810 42.059 0.114 0.000 0.896 1148 L HN 0.206 nan 8.230 nan 0.000 0.432 1149 R N -0.449 120.134 120.500 0.138 0.000 2.148 1149 R HA -0.072 4.267 4.340 -0.002 0.000 0.227 1149 R C 2.307 178.673 176.300 0.111 0.000 1.103 1149 R CA 1.008 57.186 56.100 0.131 0.000 0.983 1149 R CB -0.262 30.097 30.300 0.097 0.000 0.874 1149 R HN 0.350 nan 8.270 nan 0.000 0.451 1150 A N 0.759 123.639 122.820 0.100 0.000 1.897 1150 A HA -0.182 4.137 4.320 -0.002 0.000 0.215 1150 A C 2.035 179.695 177.584 0.127 0.000 1.181 1150 A CA 0.916 53.008 52.037 0.092 0.000 0.620 1150 A CB -0.332 18.710 19.000 0.070 0.000 0.821 1150 A HN 0.294 nan 8.150 nan 0.000 0.443 1151 Q N -0.076 119.804 119.800 0.134 0.000 2.167 1151 Q HA -0.107 4.232 4.340 -0.002 0.000 0.202 1151 Q C 1.849 177.942 176.000 0.155 0.000 0.970 1151 Q CA 1.678 57.574 55.803 0.155 0.000 0.855 1151 Q CB -0.156 28.654 28.738 0.120 0.000 0.911 1151 Q HN 0.431 nan 8.270 nan 0.000 0.438 1152 V N 0.908 120.919 119.914 0.161 0.000 2.270 1152 V HA -0.251 3.868 4.120 -0.002 0.000 0.245 1152 V C 2.427 178.623 176.094 0.170 0.000 1.043 1152 V CA 1.767 64.176 62.300 0.182 0.000 1.014 1152 V CB -1.219 30.750 31.823 0.244 0.000 0.645 1152 V HN 0.509 nan 8.190 nan 0.000 0.447 1153 A N -0.779 122.136 122.820 0.160 0.000 1.917 1153 A HA -0.352 3.967 4.320 -0.002 0.000 0.219 1153 A C 2.203 179.889 177.584 0.170 0.000 1.182 1153 A CA 2.491 54.612 52.037 0.140 0.000 0.633 1153 A CB -1.090 17.973 19.000 0.104 0.000 0.819 1153 A HN 0.784 nan 8.150 nan 0.000 0.448 1154 H N -0.690 118.414 119.070 0.058 0.000 2.353 1154 H HA -0.127 4.428 4.556 -0.002 0.000 0.300 1154 H C 2.113 177.470 175.328 0.048 0.000 1.090 1154 H CA 1.433 57.508 56.048 0.046 0.000 1.327 1154 H CB 0.031 29.817 29.762 0.040 0.000 1.383 1154 H HN 0.650 nan 8.280 nan 0.000 0.508 1155 E N 0.308 120.518 120.200 0.018 0.000 2.070 1155 E HA -0.207 4.142 4.350 -0.002 0.000 0.197 1155 E C 2.335 178.929 176.600 -0.010 0.000 1.004 1155 E CA 1.582 57.941 56.400 -0.067 0.000 0.805 1155 E CB -0.076 29.620 29.700 -0.007 0.000 0.744 1155 E HN 0.512 nan 8.360 nan 0.000 0.451 1156 L N -0.674 120.580 121.223 0.051 0.000 2.376 1156 L HA 0.053 4.392 4.340 -0.002 0.000 0.219 1156 L C 1.656 178.584 176.870 0.097 0.000 1.133 1156 L CA 1.667 56.543 54.840 0.060 0.000 0.816 1156 L CB -0.388 41.712 42.059 0.069 0.000 0.933 1156 L HN -0.112 nan 8.230 nan 0.000 0.449 1157 D N 0.136 120.602 120.400 0.110 0.000 2.137 1157 D HA -0.107 4.532 4.640 -0.002 0.000 0.202 1157 D C 1.997 178.386 176.300 0.149 0.000 0.970 1157 D CA 1.140 55.223 54.000 0.137 0.000 0.837 1157 D CB 0.207 41.105 40.800 0.163 0.000 0.981 1157 D HN 0.135 nan 8.370 nan 0.000 0.475 1158 V N 0.397 120.369 119.914 0.097 0.000 2.323 1158 V HA -0.116 4.003 4.120 -0.002 0.000 0.244 1158 V C 2.546 178.653 176.094 0.022 0.000 1.041 1158 V CA 1.493 63.819 62.300 0.043 0.000 1.025 1158 V CB -0.556 31.228 31.823 -0.066 0.000 0.656 1158 V HN 0.194 nan 8.190 nan 0.000 0.451 1159 R N -0.800 119.706 120.500 0.011 0.000 2.096 1159 R HA -0.198 4.141 4.340 -0.002 0.000 0.235 1159 R C 2.256 178.569 176.300 0.023 0.000 1.127 1159 R CA 1.887 57.979 56.100 -0.014 0.000 0.968 1159 R CB -0.337 29.949 30.300 -0.023 0.000 0.861 1159 R HN 0.486 nan 8.270 nan 0.000 0.440 1160 F N 1.514 121.453 119.950 -0.018 0.000 2.113 1160 F HA -0.115 4.411 4.527 -0.001 0.000 0.297 1160 F C 2.017 177.830 175.800 0.021 0.000 1.103 1160 F CA 1.575 59.581 58.000 0.011 0.000 1.248 1160 F CB -0.035 38.978 39.000 0.021 0.000 0.999 1160 F HN -0.124 nan 8.300 nan 0.000 0.475 1161 K N 0.144 120.621 120.400 0.129 0.000 2.103 1161 K HA -0.226 4.094 4.320 -0.002 0.000 0.207 1161 K C 1.949 178.517 176.600 -0.054 0.000 1.048 1161 K CA 1.976 58.293 56.287 0.051 0.000 0.930 1161 K CB -0.288 32.266 32.500 0.091 0.000 0.716 1161 K HN 0.434 nan 8.250 nan 0.000 0.444 1162 E N 0.708 120.861 120.200 -0.078 0.000 2.077 1162 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 1162 E C 2.059 178.549 176.600 -0.183 0.000 0.989 1162 E CA 0.990 57.318 56.400 -0.120 0.000 0.800 1162 E CB -0.079 29.537 29.700 -0.140 0.000 0.746 1162 E HN 0.247 nan 8.360 nan 0.000 0.452 1163 L N 0.935 121.999 121.223 -0.264 0.000 2.093 1163 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 1163 L C 2.353 179.117 176.870 -0.177 0.000 1.085 1163 L CA 1.128 55.791 54.840 -0.295 0.000 0.755 1163 L CB -0.473 41.429 42.059 -0.261 0.000 0.904 1163 L HN 0.146 nan 8.230 nan 0.000 0.435 1164 E N -0.379 119.636 120.200 -0.308 0.000 2.023 1164 E HA -0.309 4.040 4.350 -0.002 0.000 0.196 1164 E C 2.078 178.645 176.600 -0.056 0.000 1.003 1164 E CA 1.773 58.057 56.400 -0.194 0.000 0.809 1164 E CB -0.286 29.310 29.700 -0.173 0.000 0.755 1164 E HN 0.498 nan 8.360 nan 0.000 0.449 1165 H N 0.053 119.060 119.070 -0.105 0.000 2.457 1165 H HA -0.034 4.521 4.556 -0.002 0.000 0.297 1165 H C 1.961 177.246 175.328 -0.072 0.000 1.092 1165 H CA 1.372 57.379 56.048 -0.069 0.000 1.309 1165 H CB 0.076 29.795 29.762 -0.072 0.000 1.382 1165 H HN 0.075 nan 8.280 nan 0.000 0.535 1166 M N -0.940 118.630 119.600 -0.049 0.000 2.419 1166 M HA 0.010 4.489 4.480 -0.002 0.000 0.264 1166 M C 1.901 178.198 176.300 -0.005 0.000 1.082 1166 M CA 1.236 56.449 55.300 -0.145 0.000 1.119 1166 M CB 0.197 32.494 32.600 -0.505 0.000 1.398 1166 M HN 0.431 nan 8.290 nan 0.000 0.453 1167 A N -0.808 122.079 122.820 0.112 0.000 2.195 1167 A HA 0.356 4.675 4.320 -0.002 0.000 0.210 1167 A C 1.975 179.561 177.584 0.003 0.000 1.165 1167 A CA 0.874 53.008 52.037 0.163 0.000 0.806 1167 A CB -0.357 18.726 19.000 0.138 0.000 0.847 1167 A HN 0.523 nan 8.150 nan 0.000 0.482 1168 A N -0.864 121.908 122.820 -0.081 0.000 1.911 1168 A HA 0.207 4.526 4.320 -0.002 0.000 0.212 1168 A C 1.571 179.076 177.584 -0.132 0.000 1.189 1168 A CA 1.218 53.178 52.037 -0.128 0.000 0.639 1168 A CB -0.912 17.963 19.000 -0.208 0.000 0.839 1168 A HN 0.384 nan 8.150 nan 0.000 0.449 1169 T N 1.340 115.779 114.554 -0.192 0.000 2.939 1169 T HA 0.070 4.419 4.350 -0.002 0.000 0.319 1169 T C 0.653 175.414 174.700 0.102 0.000 1.082 1169 T CA 0.793 62.841 62.100 -0.085 0.000 1.133 1169 T CB -0.044 68.803 68.868 -0.035 0.000 1.019 1169 T HN 0.587 nan 8.240 nan 0.000 0.548 1170 N N 3.293 122.058 118.700 0.107 0.000 2.238 1170 N HA 0.195 4.934 4.740 -0.002 0.000 0.222 1170 N C -0.684 174.823 175.510 -0.005 0.000 1.133 1170 N CA -0.269 52.896 53.050 0.192 0.000 0.854 1170 N CB 0.296 38.833 38.487 0.083 0.000 1.041 1170 N HN 0.348 nan 8.380 nan 0.000 0.510 1171 I N 1.934 122.528 120.570 0.041 0.000 2.390 1171 I HA 0.412 4.581 4.170 -0.002 0.000 0.283 1171 I C -0.927 175.213 176.117 0.039 0.000 1.016 1171 I CA -0.983 60.246 61.300 -0.117 0.000 1.151 1171 I CB -0.523 37.453 38.000 -0.040 0.000 1.293 1171 I HN 0.037 nan 8.210 nan 0.000 0.458 1172 F N 2.572 122.536 119.950 0.023 0.000 2.645 1172 F HA 0.606 5.133 4.527 -0.001 0.000 0.310 1172 F C -0.033 175.807 175.800 0.067 0.000 1.102 1172 F CA -1.305 56.723 58.000 0.046 0.000 0.952 1172 F CB 0.773 39.803 39.000 0.051 0.000 1.326 1172 F HN 0.218 nan 8.300 nan 0.000 0.456 1173 E N 1.181 121.571 120.200 0.316 0.000 2.344 1173 E HA 0.271 4.620 4.350 -0.002 0.000 0.270 1173 E C -0.066 176.728 176.600 0.322 0.000 1.021 1173 E CA -0.327 56.218 56.400 0.242 0.000 0.887 1173 E CB 1.272 31.103 29.700 0.218 0.000 0.997 1173 E HN 0.649 nan 8.360 nan 0.000 0.429 1174 S N 2.392 118.240 115.700 0.247 0.000 2.632 1174 S HA 0.345 4.814 4.470 -0.002 0.000 0.254 1174 S C -0.778 174.063 174.600 0.403 0.000 1.291 1174 S CA -0.348 58.020 58.200 0.281 0.000 0.974 1174 S CB 0.333 63.635 63.200 0.170 0.000 1.016 1174 S HN 0.421 nan 8.310 nan 0.000 0.579 1175 F N -0.101 119.959 119.950 0.182 0.000 2.604 1175 F HA 0.636 5.162 4.527 -0.002 0.000 0.316 1175 F C -1.134 174.751 175.800 0.143 0.000 1.136 1175 F CA -0.514 57.608 58.000 0.204 0.000 0.989 1175 F CB 1.036 40.181 39.000 0.243 0.000 1.258 1175 F HN 0.640 nan 8.300 nan 0.000 0.451 1176 A N 6.942 129.403 122.820 -0.599 0.000 2.414 1176 A HA 0.669 4.988 4.320 -0.002 0.000 0.286 1176 A C -2.349 174.802 177.584 -0.723 0.000 1.073 1176 A CA -1.260 50.410 52.037 -0.611 0.000 0.727 1176 A CB 0.803 19.663 19.000 -0.234 0.000 1.215 1176 A HN 0.615 nan 8.150 nan 0.000 0.430 1177 P HA -0.033 nan 4.420 nan 0.000 0.205 1177 P C 1.049 178.191 177.300 -0.264 0.000 1.164 1177 P CA 2.736 65.570 63.100 -0.443 0.000 0.938 1177 P CB 0.406 31.927 31.700 -0.298 0.000 0.777 1178 A N -3.433 119.266 122.820 -0.201 0.000 1.936 1178 A HA 0.566 4.885 4.320 -0.002 0.000 0.162 1178 A C -0.043 177.476 177.584 -0.110 0.000 1.462 1178 A CA 0.365 52.316 52.037 -0.145 0.000 2.725 1178 A CB -0.188 18.739 19.000 -0.121 0.000 3.017 1178 A HN 0.533 nan 8.150 nan 0.000 1.262 1179 G N -1.620 107.130 108.800 -0.082 0.000 2.850 1179 G HA2 0.515 4.474 3.960 -0.002 0.000 0.686 1179 G HA3 0.515 4.474 3.960 -0.002 0.000 0.686 1179 G C 1.053 175.924 174.900 -0.050 0.000 1.164 1179 G CA 0.831 45.895 45.100 -0.061 0.000 0.826 1179 G HN 2.872 nan 8.290 nan 0.000 0.586 1180 G N 1.437 110.216 108.800 -0.035 0.000 2.344 1180 G HA2 0.192 4.151 3.960 -0.002 0.000 0.215 1180 G HA3 0.192 4.151 3.960 -0.002 0.000 0.215 1180 G C 0.925 175.814 174.900 -0.018 0.000 1.293 1180 G CA 0.957 46.041 45.100 -0.027 0.000 1.305 1180 G HN 1.909 nan 8.290 nan 0.000 0.484 1181 K N -0.764 119.626 120.400 -0.018 0.000 3.860 1181 K HA -0.080 4.239 4.320 -0.002 0.000 0.215 1181 K C 1.005 177.602 176.600 -0.004 0.000 0.729 1181 K CA 2.923 59.205 56.287 -0.009 0.000 0.634 1181 K CB -1.621 30.879 32.500 -0.001 0.000 0.774 1181 K HN 2.818 nan 8.250 nan 0.000 0.793 1182 A N 1.588 124.408 122.820 -0.001 0.000 2.202 1182 A HA -0.084 4.235 4.320 -0.002 0.000 0.597 1182 A C -0.712 176.872 177.584 0.001 0.000 0.318 1182 A CA 0.848 52.885 52.037 -0.001 0.000 0.265 1182 A CB -1.040 17.957 19.000 -0.005 0.000 3.467 1182 A HN 0.467 nan 8.150 nan 0.000 0.477 1183 D N 0.535 120.936 120.400 0.002 0.000 2.703 1183 D HA 0.418 5.057 4.640 -0.002 0.000 0.225 1183 D C 0.848 177.148 176.300 -0.001 0.000 1.119 1183 D CA 2.590 56.591 54.000 0.002 0.000 0.845 1183 D CB 0.345 41.146 40.800 0.001 0.000 1.182 1183 D HN 2.030 nan 8.370 nan 0.000 0.493 1184 G N 0.430 109.230 108.800 -0.001 0.000 2.462 1184 G HA2 0.395 4.354 3.960 -0.002 0.000 0.424 1184 G HA3 0.395 4.354 3.960 -0.002 0.000 0.424 1184 G C -0.661 174.238 174.900 -0.002 0.000 1.573 1184 G CA -0.442 44.656 45.100 -0.003 0.000 0.913 1184 G HN 0.714 nan 8.290 nan 0.000 0.672 1185 S N -0.624 115.073 115.700 -0.005 0.000 2.568 1185 S HA 0.886 5.355 4.470 -0.002 0.000 0.302 1185 S C -0.631 173.963 174.600 -0.009 0.000 1.082 1185 S CA -0.584 57.614 58.200 -0.004 0.000 1.009 1185 S CB 2.512 65.708 63.200 -0.006 0.000 1.069 1185 S HN 2.161 nan 8.310 nan 0.000 0.500 1186 V N 1.780 121.690 119.914 -0.006 0.000 2.668 1186 V HA 0.432 4.551 4.120 -0.002 0.000 0.304 1186 V C -1.380 174.703 176.094 -0.019 0.000 1.071 1186 V CA -0.633 61.659 62.300 -0.013 0.000 0.894 1186 V CB 1.651 33.475 31.823 0.001 0.000 1.008 1186 V HN 1.128 nan 8.190 nan 0.000 0.425 1187 D N 4.861 125.215 120.400 -0.076 0.000 2.255 1187 D HA 0.149 4.788 4.640 -0.002 0.000 0.249 1187 D C 1.005 177.204 176.300 -0.169 0.000 1.078 1187 D CA -0.297 53.594 54.000 -0.182 0.000 0.896 1187 D CB 1.498 42.120 40.800 -0.298 0.000 1.194 1187 D HN 0.600 nan 8.370 nan 0.000 0.429 1188 F N 1.612 121.564 119.950 0.003 0.000 2.583 1188 F HA 0.183 4.709 4.527 -0.002 0.000 0.297 1188 F C 1.586 177.391 175.800 0.009 0.000 1.131 1188 F CA 0.266 58.269 58.000 0.005 0.000 1.467 1188 F CB -0.490 38.513 39.000 0.004 0.000 1.097 1188 F HN 0.302 nan 8.300 nan 0.000 0.586 1189 G N -0.250 108.355 108.800 -0.325 0.000 2.545 1189 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.212 1189 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.212 1189 G C 0.312 175.177 174.900 -0.058 0.000 1.144 1189 G CA -0.343 44.674 45.100 -0.140 0.000 0.813 1189 G HN 0.381 nan 8.290 nan 0.000 0.531 1190 E N 0.395 120.544 120.200 -0.086 0.000 2.765 1190 E HA 0.262 4.611 4.350 -0.002 0.000 0.256 1190 E C 1.278 177.873 176.600 -0.008 0.000 0.935 1190 E CA 0.573 56.946 56.400 -0.046 0.000 0.954 1190 E CB 0.131 29.803 29.700 -0.046 0.000 0.908 1190 E HN 0.366 nan 8.360 nan 0.000 0.500 1191 G N 2.273 111.069 108.800 -0.007 0.000 2.225 1191 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.267 1191 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.267 1191 G C 0.184 175.100 174.900 0.026 0.000 1.024 1191 G CA 0.155 45.259 45.100 0.006 0.000 0.784 1191 G HN 0.727 nan 8.290 nan 0.000 0.507 1192 A N -0.881 121.960 122.820 0.036 0.000 2.327 1192 A HA 0.776 5.095 4.320 -0.002 0.000 0.283 1192 A C 1.015 178.638 177.584 0.064 0.000 1.127 1192 A CA 0.568 52.650 52.037 0.075 0.000 0.810 1192 A CB 0.610 19.671 19.000 0.102 0.000 1.066 1192 A HN 0.323 nan 8.150 nan 0.000 0.492 1193 E N 0.867 121.135 120.200 0.113 0.000 2.076 1193 E HA 0.063 4.412 4.350 -0.002 0.000 0.190 1193 E C -0.597 175.929 176.600 -0.124 0.000 0.979 1193 E CA 1.132 57.546 56.400 0.024 0.000 0.807 1193 E CB -0.048 29.728 29.700 0.127 0.000 0.761 1193 E HN 0.653 nan 8.360 nan 0.000 0.454 1194 F N -0.326 119.633 119.950 0.015 0.000 2.470 1194 F HA 0.298 4.824 4.527 -0.002 0.000 0.329 1194 F C 0.309 176.123 175.800 0.024 0.000 1.072 1194 F CA -1.798 56.212 58.000 0.016 0.000 0.989 1194 F CB 0.720 39.729 39.000 0.015 0.000 1.193 1194 F HN -0.157 nan 8.300 nan 0.000 0.481 1195 c N 1.127 119.832 118.600 0.174 0.000 2.568 1195 c HA 0.052 4.621 4.570 -0.002 0.000 0.401 1195 c C 1.819 175.997 174.090 0.146 0.000 1.338 1195 c CA 0.431 56.831 56.329 0.119 0.000 1.721 1195 c CB -0.111 42.456 42.510 0.094 0.000 2.624 1195 c HN 0.987 nan 8.230 nan 0.000 0.614 1196 T N 1.507 116.144 114.554 0.138 0.000 2.985 1196 T HA 0.194 4.543 4.350 -0.002 0.000 0.254 1196 T C 0.664 175.492 174.700 0.212 0.000 1.021 1196 T CA 0.372 62.590 62.100 0.198 0.000 0.957 1196 T CB 0.007 69.037 68.868 0.270 0.000 1.047 1196 T HN 0.738 nan 8.240 nan 0.000 0.511 1197 R N 1.586 122.173 120.500 0.146 0.000 2.888 1197 R HA 0.525 4.864 4.340 -0.002 0.000 0.266 1197 R C -0.958 175.388 176.300 0.076 0.000 1.020 1197 R CA -0.860 55.314 56.100 0.123 0.000 0.963 1197 R CB 1.369 31.735 30.300 0.110 0.000 1.197 1197 R HN 0.308 nan 8.270 nan 0.000 0.481 1198 D N -0.935 119.500 120.400 0.059 0.000 2.539 1198 D HA 0.088 4.727 4.640 -0.002 0.000 0.280 1198 D C 0.032 176.351 176.300 0.031 0.000 1.208 1198 D CA -0.330 53.695 54.000 0.041 0.000 1.088 1198 D CB 0.400 41.218 40.800 0.031 0.000 1.149 1198 D HN 0.305 nan 8.370 nan 0.000 0.596 1199 D N -1.087 119.327 120.400 0.023 0.000 2.271 1199 D HA -0.003 4.636 4.640 -0.002 0.000 0.206 1199 D C 0.356 176.664 176.300 0.013 0.000 0.967 1199 D CA 0.553 54.563 54.000 0.017 0.000 0.867 1199 D CB -0.428 40.381 40.800 0.014 0.000 0.960 1199 D HN 0.347 nan 8.370 nan 0.000 0.509 1200 T N 2.351 116.913 114.554 0.013 0.000 2.882 1200 T HA -0.055 4.294 4.350 -0.002 0.000 0.330 1200 T C -1.647 173.056 174.700 0.006 0.000 1.075 1200 T CA -0.361 61.744 62.100 0.008 0.000 1.129 1200 T CB 0.954 69.827 68.868 0.008 0.000 1.071 1200 T HN -0.020 nan 8.240 nan 0.000 0.531 1201 P HA 0.129 nan 4.420 nan 0.000 0.237 1201 P C 1.203 178.500 177.300 -0.005 0.000 1.178 1201 P CA 0.668 63.765 63.100 -0.005 0.000 0.766 1201 P CB 0.110 31.803 31.700 -0.012 0.000 0.876 1202 M N -2.048 117.551 119.600 -0.002 0.000 2.236 1202 M HA 0.032 4.511 4.480 -0.002 0.000 0.266 1202 M C 1.830 178.138 176.300 0.013 0.000 1.070 1202 M CA 1.626 56.926 55.300 -0.001 0.000 1.137 1202 M CB -0.413 32.185 32.600 -0.003 0.000 1.378 1202 M HN -0.094 nan 8.290 nan 0.000 0.426 1203 M N -0.052 119.561 119.600 0.023 0.000 2.556 1203 M HA 0.200 4.679 4.480 -0.002 0.000 0.245 1203 M C 0.592 176.911 176.300 0.032 0.000 1.128 1203 M CA -0.281 55.044 55.300 0.043 0.000 1.069 1203 M CB -0.123 32.513 32.600 0.060 0.000 1.469 1203 M HN 0.105 nan 8.290 nan 0.000 0.494 1204 A N 2.170 125.000 122.820 0.016 0.000 2.520 1204 A HA 0.311 4.630 4.320 -0.002 0.000 0.245 1204 A C 0.230 177.815 177.584 0.002 0.000 1.072 1204 A CA 0.331 52.372 52.037 0.007 0.000 0.761 1204 A CB 0.228 19.228 19.000 0.001 0.000 1.004 1204 A HN 0.314 nan 8.150 nan 0.000 0.499 1205 R N 1.866 122.363 120.500 -0.005 0.000 2.855 1205 R HA 0.407 4.746 4.340 -0.002 0.000 0.266 1205 R C -2.210 174.080 176.300 -0.017 0.000 1.034 1205 R CA -1.917 54.175 56.100 -0.012 0.000 0.944 1205 R CB 0.175 30.464 30.300 -0.019 0.000 1.219 1205 R HN 0.361 nan 8.270 nan 0.000 0.474 1206 P HA -0.113 nan 4.420 nan 0.000 0.214 1206 P C 0.179 177.465 177.300 -0.024 0.000 1.163 1206 P CA 1.319 64.407 63.100 -0.020 0.000 0.889 1206 P CB 0.266 31.954 31.700 -0.020 0.000 0.790 1207 D N -0.918 119.464 120.400 -0.031 0.000 2.349 1207 D HA 0.004 4.643 4.640 -0.002 0.000 0.224 1207 D C 0.756 177.033 176.300 -0.039 0.000 1.029 1207 D CA 0.468 54.446 54.000 -0.036 0.000 0.879 1207 D CB -0.146 40.627 40.800 -0.046 0.000 0.906 1207 D HN 0.290 nan 8.370 nan 0.000 0.528 1208 S N -1.088 114.592 115.700 -0.034 0.000 2.669 1208 S HA 0.537 5.006 4.470 -0.002 0.000 0.270 1208 S C 1.155 175.742 174.600 -0.020 0.000 1.225 1208 S CA 0.162 58.343 58.200 -0.030 0.000 0.991 1208 S CB 2.175 65.361 63.200 -0.023 0.000 0.987 1208 S HN 0.209 nan 8.310 nan 0.000 0.552 1209 G N -0.460 108.331 108.800 -0.016 0.000 2.173 1209 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.142 1209 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.142 1209 G C -0.308 174.583 174.900 -0.014 0.000 1.019 1209 G CA -0.075 45.018 45.100 -0.012 0.000 0.699 1209 G HN 0.934 nan 8.290 nan 0.000 0.495 1210 E N 0.708 120.897 120.200 -0.018 0.000 2.313 1210 E HA 0.667 5.016 4.350 -0.002 0.000 0.272 1210 E C 0.872 177.461 176.600 -0.018 0.000 1.038 1210 E CA -0.081 56.307 56.400 -0.020 0.000 0.863 1210 E CB 0.991 30.676 29.700 -0.026 0.000 1.060 1210 E HN 0.630 nan 8.360 nan 0.000 0.402 1211 A N 2.697 125.505 122.820 -0.021 0.000 2.462 1211 A HA 0.377 4.696 4.320 -0.002 0.000 0.243 1211 A C -0.223 177.342 177.584 -0.032 0.000 1.076 1211 A CA -0.138 51.885 52.037 -0.024 0.000 0.773 1211 A CB -0.473 18.511 19.000 -0.027 0.000 1.010 1211 A HN 0.754 nan 8.150 nan 0.000 0.493 1212 c N 0.292 118.872 118.600 -0.033 0.000 3.311 1212 c HA 0.606 5.175 4.570 -0.002 0.000 0.325 1212 c C -0.652 173.401 174.090 -0.062 0.000 1.352 1212 c CA -1.029 55.270 56.329 -0.049 0.000 1.308 1212 c CB 1.182 43.682 42.510 -0.016 0.000 1.619 1212 c HN 0.812 nan 8.230 nan 0.000 0.469 1213 D N 1.052 121.369 120.400 -0.138 0.000 2.359 1213 D HA 0.069 4.708 4.640 -0.002 0.000 0.250 1213 D C 0.617 176.949 176.300 0.055 0.000 1.264 1213 D CA 0.794 54.697 54.000 -0.162 0.000 0.911 1213 D CB 0.902 41.334 40.800 -0.614 0.000 1.056 1213 D HN 0.742 nan 8.370 nan 0.000 0.499 1214 Q N 2.860 122.705 119.800 0.075 0.000 2.431 1214 Q HA -0.047 4.292 4.340 -0.002 0.000 0.210 1214 Q C -0.280 175.813 176.000 0.155 0.000 0.958 1214 Q CA 0.069 55.937 55.803 0.110 0.000 0.957 1214 Q CB -0.184 28.590 28.738 0.060 0.000 1.007 1214 Q HN 0.523 nan 8.270 nan 0.000 0.511 1215 N N -0.639 118.218 118.700 0.262 0.000 2.776 1215 N HA -0.188 4.551 4.740 -0.002 0.000 0.250 1215 N C -0.408 175.178 175.510 0.126 0.000 1.112 1215 N CA 0.815 54.013 53.050 0.247 0.000 0.733 1215 N CB -0.632 37.935 38.487 0.134 0.000 1.097 1215 N HN 0.270 nan 8.380 nan 0.000 0.558 1216 R N -0.335 120.227 120.500 0.103 0.000 2.427 1216 R HA 0.437 4.776 4.340 -0.002 0.000 0.262 1216 R C 0.687 177.022 176.300 0.058 0.000 0.943 1216 R CA 0.707 56.844 56.100 0.062 0.000 1.081 1216 R CB 0.612 30.939 30.300 0.044 0.000 1.166 1216 R HN 0.261 nan 8.270 nan 0.000 0.534 1217 A N 0.469 123.339 122.820 0.083 0.000 2.616 1217 A HA 0.501 4.820 4.320 -0.002 0.000 0.294 1217 A C 0.590 178.225 177.584 0.085 0.000 1.091 1217 A CA 0.054 52.133 52.037 0.069 0.000 0.971 1217 A CB 0.299 19.333 19.000 0.057 0.000 1.222 1217 A HN 0.334 nan 8.150 nan 0.000 0.521 1218 G N -0.440 108.409 108.800 0.082 0.000 2.698 1218 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.233 1218 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.233 1218 G C 0.096 175.057 174.900 0.101 0.000 1.352 1218 G CA -0.276 44.863 45.100 0.065 0.000 0.879 1218 G HN 0.728 nan 8.290 nan 0.000 0.567 1219 T N 0.330 114.917 114.554 0.055 0.000 2.813 1219 T HA 0.444 4.793 4.350 -0.002 0.000 0.297 1219 T C 2.029 176.819 174.700 0.151 0.000 1.036 1219 T CA 0.502 62.633 62.100 0.052 0.000 1.044 1219 T CB 1.063 69.929 68.868 -0.005 0.000 0.993 1219 T HN 0.860 nan 8.240 nan 0.000 0.535 1220 S N 1.316 117.148 115.700 0.220 0.000 2.370 1220 S HA -0.152 4.317 4.470 -0.002 0.000 0.226 1220 S C 1.977 176.641 174.600 0.108 0.000 1.033 1220 S CA 1.388 59.724 58.200 0.227 0.000 1.011 1220 S CB -0.264 63.081 63.200 0.242 0.000 0.852 1220 S HN 0.704 nan 8.310 nan 0.000 0.457 1221 E N 1.453 121.696 120.200 0.072 0.000 2.017 1221 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 1221 E C 2.406 179.029 176.600 0.038 0.000 0.997 1221 E CA 1.118 57.544 56.400 0.043 0.000 0.804 1221 E CB -0.328 29.388 29.700 0.026 0.000 0.757 1221 E HN 0.569 nan 8.360 nan 0.000 0.448 1222 Q N 0.943 120.766 119.800 0.038 0.000 2.096 1222 Q HA -0.269 4.070 4.340 -0.002 0.000 0.208 1222 Q C 2.309 178.331 176.000 0.036 0.000 0.993 1222 Q CA 1.704 57.526 55.803 0.032 0.000 0.862 1222 Q CB -0.255 28.501 28.738 0.030 0.000 0.915 1222 Q HN 0.374 nan 8.270 nan 0.000 0.416 1223 Q N -0.258 119.574 119.800 0.053 0.000 2.050 1223 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 1223 Q C 2.308 178.327 176.000 0.031 0.000 0.980 1223 Q CA 1.260 57.090 55.803 0.045 0.000 0.840 1223 Q CB -0.399 28.374 28.738 0.060 0.000 0.898 1223 Q HN 0.542 nan 8.270 nan 0.000 0.424 1224 G N 0.978 109.799 108.800 0.034 0.000 2.469 1224 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.219 1224 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.219 1224 G C 0.972 175.882 174.900 0.017 0.000 1.150 1224 G CA 1.418 46.532 45.100 0.023 0.000 0.763 1224 G HN 0.372 nan 8.290 nan 0.000 0.561 1225 D N -0.293 120.118 120.400 0.018 0.000 2.123 1225 D HA -0.072 4.567 4.640 -0.002 0.000 0.200 1225 D C 2.329 178.636 176.300 0.011 0.000 0.976 1225 D CA 0.515 54.523 54.000 0.013 0.000 0.831 1225 D CB -0.264 40.544 40.800 0.013 0.000 0.974 1225 D HN 0.141 nan 8.370 nan 0.000 0.469 1226 L N 0.140 121.371 121.223 0.013 0.000 2.127 1226 L HA -0.109 4.230 4.340 -0.002 0.000 0.211 1226 L C 2.171 179.046 176.870 0.008 0.000 1.089 1226 L CA 1.725 56.572 54.840 0.011 0.000 0.757 1226 L CB -0.934 41.133 42.059 0.014 0.000 0.899 1226 L HN 0.031 nan 8.230 nan 0.000 0.434 1227 S N -1.128 114.577 115.700 0.009 0.000 2.406 1227 S HA -0.204 4.265 4.470 -0.002 0.000 0.228 1227 S C 2.139 176.742 174.600 0.004 0.000 1.020 1227 S CA 1.342 59.545 58.200 0.005 0.000 0.965 1227 S CB -0.260 62.943 63.200 0.005 0.000 0.798 1227 S HN 0.569 nan 8.310 nan 0.000 0.488 1228 K N 0.203 120.606 120.400 0.005 0.000 2.305 1228 K HA 0.158 4.477 4.320 -0.002 0.000 0.199 1228 K C 1.636 178.238 176.600 0.004 0.000 1.047 1228 K CA 0.331 56.620 56.287 0.004 0.000 0.976 1228 K CB 0.046 32.549 32.500 0.005 0.000 0.765 1228 K HN 0.232 nan 8.250 nan 0.000 0.474 1229 R N 0.264 120.767 120.500 0.004 0.000 2.335 1229 R HA 0.024 4.363 4.340 -0.002 0.000 0.223 1229 R C 0.403 176.705 176.300 0.003 0.000 0.940 1229 R CA 0.837 56.939 56.100 0.004 0.000 1.086 1229 R CB 0.466 30.769 30.300 0.005 0.000 1.073 1229 R HN 0.203 nan 8.270 nan 0.000 0.504 1230 T N -3.378 111.178 114.554 0.003 0.000 3.403 1230 T HA 0.074 4.423 4.350 -0.002 0.000 0.308 1230 T C 1.093 175.794 174.700 0.001 0.000 0.952 1230 T CA -0.606 61.496 62.100 0.002 0.000 0.970 1230 T CB 0.261 69.130 68.868 0.002 0.000 1.189 1230 T HN 0.158 nan 8.240 nan 0.000 0.528 1231 K N 2.047 122.447 120.400 0.001 0.000 2.026 1231 K HA -0.345 3.974 4.320 -0.002 0.000 0.225 1231 K C 0.410 177.010 176.600 -0.000 0.000 0.925 1231 K CA 1.538 57.825 56.287 0.001 0.000 1.000 1231 K CB -1.033 31.467 32.500 0.001 0.000 0.806 1231 K HN 0.303 nan 8.250 nan 0.000 0.500 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543