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 2c3p_1_B DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 2 G C 0.000 174.919 174.900 0.031 0.000 0.946 2 G CA 0.000 45.114 45.100 0.024 0.000 0.502 3 K N -0.014 120.395 120.400 0.014 0.000 2.156 3 K HA 0.681 5.002 4.320 0.001 0.000 0.250 3 K C -0.562 176.026 176.600 -0.021 0.000 0.955 3 K CA -0.805 55.484 56.287 0.002 0.000 0.855 3 K CB 2.474 34.971 32.500 -0.005 0.000 1.101 3 K HN 0.426 nan 8.250 nan 0.000 0.434 4 K N 2.298 122.670 120.400 -0.048 0.000 2.507 4 K HA 0.295 4.616 4.320 0.001 0.000 0.251 4 K C -1.009 175.537 176.600 -0.091 0.000 0.943 4 K CA -0.572 55.676 56.287 -0.065 0.000 0.794 4 K CB 1.110 33.568 32.500 -0.069 0.000 1.188 4 K HN 0.422 nan 8.250 nan 0.000 0.428 5 M N 6.386 125.942 119.600 -0.073 0.000 2.143 5 M HA 0.264 4.745 4.480 0.001 0.000 0.348 5 M C -0.341 175.916 176.300 -0.073 0.000 1.375 5 M CA 0.154 55.410 55.300 -0.073 0.000 1.124 5 M CB 0.249 32.813 32.600 -0.060 0.000 1.669 5 M HN 0.693 nan 8.290 nan 0.000 0.469 6 M N 1.490 121.041 119.600 -0.082 0.000 2.593 6 M HA 0.570 5.051 4.480 0.001 0.000 0.290 6 M C -0.488 175.790 176.300 -0.036 0.000 1.244 6 M CA -0.769 54.492 55.300 -0.065 0.000 0.857 6 M CB 2.387 34.931 32.600 -0.094 0.000 1.738 6 M HN 0.399 nan 8.290 nan 0.000 0.461 7 T N 1.943 116.492 114.554 -0.009 0.000 2.801 7 T HA 0.714 5.064 4.350 0.001 0.000 0.306 7 T C -0.629 174.086 174.700 0.025 0.000 1.020 7 T CA 0.208 62.319 62.100 0.020 0.000 0.948 7 T CB 0.073 68.967 68.868 0.044 0.000 0.962 7 T HN 1.006 nan 8.240 nan 0.000 0.465 8 T N 1.522 116.092 114.554 0.027 0.000 2.731 8 T HA 0.630 4.981 4.350 0.001 0.000 0.300 8 T C -1.140 173.588 174.700 0.046 0.000 1.283 8 T CA -0.970 61.151 62.100 0.035 0.000 1.005 8 T CB 1.363 70.247 68.868 0.027 0.000 1.420 8 T HN 0.548 nan 8.240 nan 0.000 0.503 9 D N -0.766 119.660 120.400 0.044 0.000 2.478 9 D HA 0.495 5.136 4.640 0.001 0.000 0.263 9 D C 1.667 177.982 176.300 0.025 0.000 1.153 9 D CA -0.204 53.830 54.000 0.055 0.000 1.038 9 D CB 0.132 40.960 40.800 0.047 0.000 1.120 9 D HN 0.785 nan 8.370 nan 0.000 0.564 10 G N -0.436 108.380 108.800 0.028 0.000 2.442 10 G HA2 -0.326 3.635 3.960 0.001 0.000 0.219 10 G HA3 -0.326 3.635 3.960 0.001 0.000 0.219 10 G C 1.263 176.065 174.900 -0.163 0.000 1.141 10 G CA 0.773 45.795 45.100 -0.130 0.000 0.763 10 G HN 0.640 nan 8.290 nan 0.000 0.554 11 N N -0.206 118.530 118.700 0.060 0.000 2.058 11 N HA -0.105 4.636 4.740 0.001 0.000 0.191 11 N C 2.355 177.890 175.510 0.041 0.000 1.037 11 N CA 1.751 54.870 53.050 0.115 0.000 0.848 11 N CB -0.174 38.324 38.487 0.019 0.000 1.021 11 N HN 0.222 nan 8.380 nan 0.000 0.422 12 T N 0.580 115.152 114.554 0.030 0.000 2.708 12 T HA -0.117 4.234 4.350 0.001 0.000 0.266 12 T C 2.037 176.853 174.700 0.193 0.000 1.037 12 T CA 1.218 63.389 62.100 0.118 0.000 1.146 12 T CB -0.439 68.496 68.868 0.112 0.000 0.865 12 T HN 0.330 nan 8.240 nan 0.000 0.435 13 A N 1.354 124.235 122.820 0.102 0.000 1.908 13 A HA -0.160 4.161 4.320 0.001 0.000 0.218 13 A C 2.556 180.249 177.584 0.182 0.000 1.181 13 A CA 2.192 54.308 52.037 0.132 0.000 0.627 13 A CB -1.263 17.774 19.000 0.061 0.000 0.818 13 A HN 0.486 nan 8.150 nan 0.000 0.445 14 T N 0.040 114.637 114.554 0.072 0.000 2.732 14 T HA 0.064 4.415 4.350 0.001 0.000 0.261 14 T C 2.291 177.061 174.700 0.117 0.000 1.040 14 T CA 1.489 63.626 62.100 0.062 0.000 1.145 14 T CB -0.511 68.408 68.868 0.086 0.000 0.866 14 T HN 0.600 nan 8.240 nan 0.000 0.427 15 A N 1.234 124.161 122.820 0.179 0.000 1.940 15 A HA -0.225 4.096 4.320 0.001 0.000 0.219 15 A C 1.956 179.868 177.584 0.546 0.000 1.176 15 A CA 2.455 54.643 52.037 0.252 0.000 0.631 15 A CB -1.059 17.954 19.000 0.022 0.000 0.814 15 A HN 0.724 nan 8.150 nan 0.000 0.446 16 H N -0.180 119.156 119.070 0.444 0.000 2.319 16 H HA -0.139 4.418 4.556 0.001 0.000 0.297 16 H C 1.753 177.239 175.328 0.263 0.000 1.097 16 H CA 2.486 58.757 56.048 0.371 0.000 1.285 16 H CB -0.208 29.714 29.762 0.267 0.000 1.368 16 H HN 0.162 nan 8.280 nan 0.000 0.495 17 V N 0.637 120.621 119.914 0.117 0.000 2.283 17 V HA -0.153 3.968 4.120 0.001 0.000 0.243 17 V C 2.832 178.796 176.094 -0.218 0.000 1.039 17 V CA 1.482 63.689 62.300 -0.156 0.000 1.016 17 V CB -1.378 30.353 31.823 -0.153 0.000 0.650 17 V HN 0.698 nan 8.190 nan 0.000 0.449 18 A N -0.708 122.100 122.820 -0.019 0.000 1.927 18 A HA -0.330 3.991 4.320 0.001 0.000 0.220 18 A C 2.180 179.805 177.584 0.069 0.000 1.185 18 A CA 2.476 54.568 52.037 0.091 0.000 0.639 18 A CB -0.909 18.375 19.000 0.472 0.000 0.820 18 A HN 0.662 nan 8.150 nan 0.000 0.451 19 Y N 0.274 120.654 120.300 0.133 0.000 2.145 19 Y HA -0.086 4.465 4.550 0.001 0.000 0.286 19 Y C 2.700 178.549 175.900 -0.084 0.000 1.145 19 Y CA 1.482 59.687 58.100 0.176 0.000 1.148 19 Y CB -0.406 38.314 38.460 0.434 0.000 0.981 19 Y HN 0.324 nan 8.280 nan 0.000 0.507 20 A N -0.099 122.540 122.820 -0.301 0.000 1.933 20 A HA -0.171 4.150 4.320 0.001 0.000 0.218 20 A C 1.930 179.209 177.584 -0.507 0.000 1.175 20 A CA 1.918 53.507 52.037 -0.748 0.000 0.628 20 A CB -0.500 17.503 19.000 -1.662 0.000 0.814 20 A HN 0.486 nan 8.150 nan 0.000 0.444 21 M N 0.041 119.347 119.600 -0.491 0.000 2.495 21 M HA 0.196 4.677 4.480 0.001 0.000 0.237 21 M C -0.053 176.143 176.300 -0.174 0.000 1.131 21 M CA 0.348 55.395 55.300 -0.421 0.000 1.032 21 M CB -0.711 31.462 32.600 -0.713 0.000 1.513 21 M HN 0.172 nan 8.290 nan 0.000 0.488 22 S N 0.053 115.680 115.700 -0.122 0.000 2.607 22 S HA 0.412 4.883 4.470 0.001 0.000 0.303 22 S C 0.708 175.327 174.600 0.032 0.000 1.086 22 S CA -0.721 57.488 58.200 0.016 0.000 0.995 22 S CB 2.447 65.667 63.200 0.033 0.000 1.084 22 S HN 0.237 nan 8.310 nan 0.000 0.507 23 E N 0.047 120.288 120.200 0.068 0.000 2.330 23 E HA 0.214 4.564 4.350 0.001 0.000 0.200 23 E C -0.390 176.218 176.600 0.013 0.000 0.922 23 E CA 0.318 56.742 56.400 0.039 0.000 0.935 23 E CB 0.541 30.242 29.700 0.001 0.000 0.917 23 E HN 0.246 nan 8.360 nan 0.000 0.491 24 V N 0.708 120.640 119.914 0.031 0.000 2.876 24 V HA 0.717 4.838 4.120 0.001 0.000 0.312 24 V C -1.153 174.963 176.094 0.037 0.000 1.085 24 V CA -0.908 61.412 62.300 0.033 0.000 0.945 24 V CB 1.877 33.725 31.823 0.041 0.000 1.017 24 V HN 0.157 nan 8.190 nan 0.000 0.428 25 A N 2.844 125.686 122.820 0.036 0.000 2.437 25 A HA 0.922 5.242 4.320 0.001 0.000 0.293 25 A C -0.618 176.970 177.584 0.008 0.000 1.038 25 A CA -0.162 51.892 52.037 0.028 0.000 0.708 25 A CB 1.659 20.724 19.000 0.108 0.000 1.251 25 A HN 1.487 nan 8.150 nan 0.000 0.409 26 A N 3.170 125.972 122.820 -0.029 0.000 2.287 26 A HA 0.764 5.085 4.320 0.001 0.000 0.317 26 A C -0.099 177.445 177.584 -0.067 0.000 1.220 26 A CA -0.452 51.559 52.037 -0.042 0.000 0.835 26 A CB 0.064 19.045 19.000 -0.031 0.000 1.180 26 A HN 1.607 nan 8.150 nan 0.000 0.500 27 I N -1.092 119.426 120.570 -0.086 0.000 2.957 27 I HA 0.878 5.049 4.170 0.001 0.000 0.310 27 I C -1.346 174.735 176.117 -0.059 0.000 1.063 27 I CA -1.127 60.123 61.300 -0.083 0.000 1.033 27 I CB 2.236 40.141 38.000 -0.159 0.000 1.230 27 I HN 0.569 nan 8.210 nan 0.000 0.447 28 Y N 2.902 123.105 120.300 -0.162 0.000 2.482 28 Y HA 0.533 5.084 4.550 0.001 0.000 0.334 28 Y C -2.819 173.027 175.900 -0.090 0.000 1.091 28 Y CA -1.949 56.064 58.100 -0.145 0.000 1.027 28 Y CB 2.425 40.833 38.460 -0.087 0.000 1.306 28 Y HN 0.451 nan 8.280 nan 0.000 0.446 29 P HA 0.419 nan 4.420 nan 0.000 0.276 29 P C -0.996 176.149 177.300 -0.258 0.000 1.235 29 P CA 0.137 63.019 63.100 -0.363 0.000 0.772 29 P CB 1.814 33.255 31.700 -0.432 0.000 0.871 30 I N 1.382 121.885 120.570 -0.111 0.000 2.715 30 I HA 0.138 4.308 4.170 0.001 0.000 0.288 30 I C -0.648 175.420 176.117 -0.082 0.000 1.371 30 I CA -0.311 60.945 61.300 -0.073 0.000 1.056 30 I CB 2.044 40.050 38.000 0.011 0.000 1.339 30 I HN 0.160 nan 8.210 nan 0.000 0.425 31 T N 8.855 123.348 114.554 -0.102 0.000 2.940 31 T HA 0.207 4.558 4.350 0.001 0.000 0.309 31 T C -2.064 172.545 174.700 -0.152 0.000 1.056 31 T CA -0.455 61.571 62.100 -0.124 0.000 1.137 31 T CB 0.605 69.412 68.868 -0.101 0.000 0.976 31 T HN 0.502 nan 8.240 nan 0.000 0.547 32 P HA 0.161 nan 4.420 nan 0.000 0.259 32 P C 0.726 177.934 177.300 -0.154 0.000 1.530 32 P CA -0.113 62.761 63.100 -0.377 0.000 1.022 32 P CB 0.132 31.226 31.700 -1.010 0.000 1.514 33 S N -2.117 113.521 115.700 -0.104 0.000 2.535 33 S HA 0.045 4.516 4.470 0.001 0.000 0.214 33 S C 1.745 176.323 174.600 -0.037 0.000 0.980 33 S CA 0.229 58.407 58.200 -0.037 0.000 0.907 33 S CB -0.742 62.463 63.200 0.008 0.000 0.790 33 S HN -0.041 nan 8.310 nan 0.000 0.510 34 S N 2.326 117.990 115.700 -0.060 0.000 2.380 34 S HA -0.150 4.321 4.470 0.001 0.000 0.229 34 S C 1.905 176.434 174.600 -0.119 0.000 1.043 34 S CA 2.045 60.206 58.200 -0.065 0.000 1.038 34 S CB -1.124 62.021 63.200 -0.092 0.000 0.872 34 S HN 0.734 nan 8.310 nan 0.000 0.456 35 T N 2.536 116.996 114.554 -0.156 0.000 2.737 35 T HA -0.115 4.236 4.350 0.001 0.000 0.269 35 T C 1.752 176.271 174.700 -0.302 0.000 1.040 35 T CA 1.394 63.361 62.100 -0.222 0.000 1.142 35 T CB -0.362 68.366 68.868 -0.233 0.000 0.861 35 T HN 0.382 nan 8.240 nan 0.000 0.456 36 M N 0.554 119.954 119.600 -0.333 0.000 2.067 36 M HA -0.019 4.462 4.480 0.001 0.000 0.260 36 M C 2.861 178.648 176.300 -0.854 0.000 1.069 36 M CA 1.883 56.796 55.300 -0.645 0.000 1.117 36 M CB -0.888 31.243 32.600 -0.781 0.000 1.334 36 M HN 0.385 nan 8.290 nan 0.000 0.407 37 G N 0.100 108.555 108.800 -0.576 0.000 2.422 37 G HA2 -0.187 3.774 3.960 0.001 0.000 0.218 37 G HA3 -0.187 3.774 3.960 0.001 0.000 0.218 37 G C 1.322 176.272 174.900 0.084 0.000 1.146 37 G CA 0.703 45.715 45.100 -0.148 0.000 0.769 37 G HN 0.515 nan 8.290 nan 0.000 0.547 38 E N 0.409 120.583 120.200 -0.044 0.000 2.077 38 E HA -0.104 4.247 4.350 0.001 0.000 0.193 38 E C 2.395 178.784 176.600 -0.351 0.000 0.989 38 E CA 0.994 57.251 56.400 -0.238 0.000 0.800 38 E CB -0.095 29.371 29.700 -0.389 0.000 0.746 38 E HN 0.564 nan 8.360 nan 0.000 0.452 39 E N 0.736 120.610 120.200 -0.542 0.000 2.077 39 E HA -0.175 4.176 4.350 0.001 0.000 0.193 39 E C 2.146 178.048 176.600 -1.163 0.000 0.989 39 E CA 0.872 56.654 56.400 -1.030 0.000 0.800 39 E CB -0.129 28.816 29.700 -1.258 0.000 0.746 39 E HN 0.217 nan 8.360 nan 0.000 0.452 40 A N 1.735 124.197 122.820 -0.597 0.000 1.908 40 A HA -0.267 4.054 4.320 0.001 0.000 0.218 40 A C 2.047 179.725 177.584 0.156 0.000 1.181 40 A CA 1.831 53.867 52.037 -0.001 0.000 0.627 40 A CB -0.517 18.627 19.000 0.240 0.000 0.818 40 A HN 0.269 nan 8.150 nan 0.000 0.445 41 D N -0.371 120.082 120.400 0.088 0.000 2.117 41 D HA -0.166 4.475 4.640 0.001 0.000 0.198 41 D C 0.996 177.353 176.300 0.095 0.000 0.982 41 D CA 1.494 55.601 54.000 0.178 0.000 0.828 41 D CB -0.173 40.825 40.800 0.329 0.000 0.967 41 D HN 0.371 nan 8.370 nan 0.000 0.464 42 D N -0.155 120.209 120.400 -0.061 0.000 2.117 42 D HA -0.148 4.493 4.640 0.001 0.000 0.198 42 D C 2.018 178.386 176.300 0.114 0.000 0.982 42 D CA 0.553 54.534 54.000 -0.032 0.000 0.828 42 D CB -0.498 40.218 40.800 -0.140 0.000 0.967 42 D HN 0.453 nan 8.370 nan 0.000 0.464 43 W N 1.541 122.821 121.300 -0.034 0.000 2.381 43 W HA 0.070 4.731 4.660 0.001 0.000 0.301 43 W C 2.562 179.056 176.519 -0.043 0.000 1.205 43 W CA 0.480 57.727 57.345 -0.163 0.000 1.285 43 W CB -1.267 27.889 29.460 -0.507 0.000 1.133 43 W HN -0.044 nan 8.180 nan 0.000 0.521 44 A N 0.512 123.563 122.820 0.385 0.000 1.902 44 A HA 0.015 4.336 4.320 0.001 0.000 0.217 44 A C 2.234 179.967 177.584 0.249 0.000 1.181 44 A CA 2.592 54.878 52.037 0.414 0.000 0.623 44 A CB -1.087 18.161 19.000 0.413 0.000 0.818 44 A HN 0.116 nan 8.150 nan 0.000 0.443 45 A N -0.793 122.145 122.820 0.196 0.000 2.015 45 A HA -0.133 4.187 4.320 0.001 0.000 0.219 45 A C 1.943 179.619 177.584 0.153 0.000 1.163 45 A CA 1.433 53.558 52.037 0.146 0.000 0.646 45 A CB -0.409 18.657 19.000 0.109 0.000 0.806 45 A HN 0.660 nan 8.150 nan 0.000 0.448 46 Q N -1.460 118.436 119.800 0.161 0.000 2.403 46 Q HA 0.277 4.618 4.340 0.001 0.000 0.203 46 Q C 0.972 177.037 176.000 0.109 0.000 0.932 46 Q CA 0.326 56.209 55.803 0.133 0.000 0.945 46 Q CB 0.154 28.967 28.738 0.125 0.000 1.045 46 Q HN 0.828 nan 8.270 nan 0.000 0.511 47 G N 2.091 110.973 108.800 0.136 0.000 2.137 47 G HA2 -0.328 3.633 3.960 0.001 0.000 0.237 47 G HA3 -0.328 3.633 3.960 0.001 0.000 0.237 47 G C -0.032 174.938 174.900 0.117 0.000 1.002 47 G CA 0.065 45.242 45.100 0.128 0.000 0.702 47 G HN 0.317 nan 8.290 nan 0.000 0.515 48 R N 0.207 120.770 120.500 0.105 0.000 2.537 48 R HA 0.364 4.705 4.340 0.001 0.000 0.280 48 R C 0.026 176.491 176.300 0.276 0.000 1.058 48 R CA -0.048 56.071 56.100 0.032 0.000 1.057 48 R CB 0.339 30.468 30.300 -0.285 0.000 0.973 48 R HN -0.001 nan 8.270 nan 0.000 0.438 49 K N 3.259 123.793 120.400 0.223 0.000 2.130 49 K HA 0.156 4.477 4.320 0.001 0.000 0.268 49 K C -0.056 176.799 176.600 0.426 0.000 0.983 49 K CA -0.805 55.659 56.287 0.294 0.000 0.893 49 K CB 1.191 33.791 32.500 0.167 0.000 1.066 49 K HN 0.711 nan 8.250 nan 0.000 0.450 50 N N 1.190 120.088 118.700 0.330 0.000 2.443 50 N HA 0.098 4.839 4.740 0.001 0.000 0.294 50 N C 1.170 176.705 175.510 0.042 0.000 1.289 50 N CA -0.477 52.679 53.050 0.176 0.000 0.966 50 N CB -0.074 38.418 38.487 0.009 0.000 1.122 50 N HN 0.625 nan 8.380 nan 0.000 0.569 51 I N -4.539 115.885 120.570 -0.243 0.000 3.083 51 I HA 0.081 4.252 4.170 0.001 0.000 0.273 51 I C 0.228 176.077 176.117 -0.446 0.000 1.297 51 I CA 1.033 62.097 61.300 -0.393 0.000 1.452 51 I CB -0.581 37.045 38.000 -0.624 0.000 1.078 51 I HN 0.201 nan 8.210 nan 0.000 0.484 52 F N 1.854 121.815 119.950 0.019 0.000 2.664 52 F HA 0.476 5.004 4.527 0.001 0.000 0.303 52 F C 1.845 177.671 175.800 0.043 0.000 1.092 52 F CA 0.256 58.272 58.000 0.026 0.000 1.305 52 F CB 0.496 39.507 39.000 0.018 0.000 1.054 52 F HN 0.231 nan 8.300 nan 0.000 0.565 53 G N 0.254 109.153 108.800 0.166 0.000 2.153 53 G HA2 -0.232 3.729 3.960 0.001 0.000 0.252 53 G HA3 -0.232 3.729 3.960 0.001 0.000 0.252 53 G C 0.065 175.059 174.900 0.157 0.000 0.994 53 G CA -0.129 45.056 45.100 0.142 0.000 0.698 53 G HN 0.257 nan 8.290 nan 0.000 0.521 54 Q N 0.388 120.303 119.800 0.191 0.000 2.301 54 Q HA 0.620 4.961 4.340 0.001 0.000 0.267 54 Q C 0.621 176.732 176.000 0.183 0.000 1.035 54 Q CA 0.147 56.050 55.803 0.166 0.000 0.856 54 Q CB 1.595 30.422 28.738 0.149 0.000 1.337 54 Q HN 0.593 nan 8.270 nan 0.000 0.450 55 T N -1.491 113.170 114.554 0.178 0.000 2.910 55 T HA 0.413 4.764 4.350 0.001 0.000 0.293 55 T C 0.267 175.058 174.700 0.151 0.000 1.015 55 T CA -0.802 61.447 62.100 0.247 0.000 1.094 55 T CB 0.581 69.591 68.868 0.236 0.000 0.968 55 T HN 0.390 nan 8.240 nan 0.000 0.521 56 L N 2.676 123.963 121.223 0.107 0.000 2.456 56 L HA 0.327 4.667 4.340 0.001 0.000 0.272 56 L C 0.409 177.322 176.870 0.071 0.000 1.189 56 L CA 0.619 55.431 54.840 -0.047 0.000 0.846 56 L CB 0.585 42.473 42.059 -0.285 0.000 1.111 56 L HN 0.888 nan 8.230 nan 0.000 0.475 57 T N 7.059 121.638 114.554 0.043 0.000 2.811 57 T HA 0.510 4.860 4.350 0.001 0.000 0.309 57 T C -0.078 174.655 174.700 0.056 0.000 1.005 57 T CA -0.016 62.117 62.100 0.055 0.000 0.955 57 T CB -0.456 68.434 68.868 0.036 0.000 0.970 57 T HN 0.390 nan 8.240 nan 0.000 0.496 58 I N 3.689 124.304 120.570 0.075 0.000 2.433 58 I HA 0.611 4.782 4.170 0.001 0.000 0.292 58 I C 0.036 176.168 176.117 0.026 0.000 1.001 58 I CA -1.133 60.205 61.300 0.064 0.000 1.119 58 I CB 1.393 39.462 38.000 0.115 0.000 1.289 58 I HN 0.176 nan 8.210 nan 0.000 0.438 59 R N 3.873 124.362 120.500 -0.018 0.000 2.725 59 R HA 0.421 4.762 4.340 0.001 0.000 0.277 59 R C -0.991 175.241 176.300 -0.113 0.000 0.987 59 R CA -0.861 55.215 56.100 -0.039 0.000 0.901 59 R CB 2.414 32.709 30.300 -0.008 0.000 1.207 59 R HN 0.653 nan 8.270 nan 0.000 0.463 60 E N 3.139 123.261 120.200 -0.131 0.000 2.174 60 E HA 0.256 4.607 4.350 0.001 0.000 0.282 60 E C -0.210 176.392 176.600 0.004 0.000 0.992 60 E CA -0.517 55.781 56.400 -0.170 0.000 0.803 60 E CB 0.815 30.382 29.700 -0.221 0.000 1.090 60 E HN 0.205 nan 8.360 nan 0.000 0.396 61 M N 2.432 122.073 119.600 0.068 0.000 2.336 61 M HA 0.038 4.518 4.480 0.001 0.000 0.256 61 M C 1.166 177.577 176.300 0.185 0.000 1.176 61 M CA -0.149 55.204 55.300 0.088 0.000 0.948 61 M CB 0.411 33.025 32.600 0.023 0.000 1.393 61 M HN 0.591 nan 8.290 nan 0.000 0.528 62 Q N 0.657 120.498 119.800 0.069 0.000 2.389 62 Q HA 0.052 4.392 4.340 0.001 0.000 0.204 62 Q C -0.053 175.807 176.000 -0.233 0.000 0.944 62 Q CA 0.756 56.606 55.803 0.079 0.000 0.908 62 Q CB 0.212 28.969 28.738 0.032 0.000 1.002 62 Q HN 0.744 nan 8.270 nan 0.000 0.493 63 S N -1.511 113.825 115.700 -0.607 0.000 2.656 63 S HA 0.293 4.764 4.470 0.001 0.000 0.265 63 S C -0.298 173.869 174.600 -0.722 0.000 1.132 63 S CA -0.402 57.062 58.200 -1.227 0.000 0.819 63 S CB 0.619 63.477 63.200 -0.569 0.000 1.119 63 S HN -0.052 nan 8.310 nan 0.000 0.476 64 E N 0.708 120.601 120.200 -0.511 0.000 2.274 64 E HA 0.185 4.536 4.350 0.001 0.000 0.194 64 E C 2.053 178.566 176.600 -0.145 0.000 0.996 64 E CA 1.382 57.668 56.400 -0.189 0.000 0.840 64 E CB -0.435 29.212 29.700 -0.087 0.000 0.772 64 E HN 0.688 nan 8.360 nan 0.000 0.491 65 A N 0.469 123.200 122.820 -0.148 0.000 1.898 65 A HA -0.018 4.303 4.320 0.001 0.000 0.216 65 A C 2.390 179.935 177.584 -0.065 0.000 1.181 65 A CA 1.542 53.531 52.037 -0.081 0.000 0.620 65 A CB -1.013 17.943 19.000 -0.074 0.000 0.819 65 A HN 0.356 nan 8.150 nan 0.000 0.442 66 G N -0.570 108.171 108.800 -0.099 0.000 2.408 66 G HA2 0.068 4.029 3.960 0.001 0.000 0.217 66 G HA3 0.068 4.029 3.960 0.001 0.000 0.217 66 G C 1.693 176.567 174.900 -0.043 0.000 1.150 66 G CA 1.244 46.307 45.100 -0.062 0.000 0.776 66 G HN 0.745 nan 8.290 nan 0.000 0.542 67 A N 1.069 123.848 122.820 -0.068 0.000 1.930 67 A HA 0.325 4.646 4.320 0.001 0.000 0.217 67 A C 2.738 180.290 177.584 -0.054 0.000 1.175 67 A CA 2.098 54.101 52.037 -0.057 0.000 0.627 67 A CB -0.583 18.378 19.000 -0.065 0.000 0.815 67 A HN 0.690 nan 8.150 nan 0.000 0.443 68 A N -0.676 122.115 122.820 -0.048 0.000 1.968 68 A HA 0.241 4.562 4.320 0.001 0.000 0.217 68 A C 2.313 179.969 177.584 0.120 0.000 1.169 68 A CA 1.584 53.634 52.037 0.023 0.000 0.638 68 A CB -1.081 17.944 19.000 0.041 0.000 0.812 68 A HN 0.647 nan 8.150 nan 0.000 0.446 69 G N -0.500 108.351 108.800 0.086 0.000 2.403 69 G HA2 0.091 4.052 3.960 0.001 0.000 0.216 69 G HA3 0.091 4.052 3.960 0.001 0.000 0.216 69 G C 1.675 176.630 174.900 0.092 0.000 1.154 69 G CA 1.176 46.346 45.100 0.118 0.000 0.784 69 G HN 0.698 nan 8.290 nan 0.000 0.538 70 A N 0.240 123.091 122.820 0.051 0.000 1.898 70 A HA 0.117 4.437 4.320 0.001 0.000 0.216 70 A C 2.570 180.194 177.584 0.066 0.000 1.181 70 A CA 1.635 53.693 52.037 0.034 0.000 0.620 70 A CB -0.587 18.420 19.000 0.012 0.000 0.819 70 A HN 0.220 nan 8.150 nan 0.000 0.442 71 V N -0.289 119.680 119.914 0.092 0.000 2.343 71 V HA -0.307 3.814 4.120 0.001 0.000 0.247 71 V C 2.444 178.675 176.094 0.228 0.000 1.051 71 V CA 2.293 64.677 62.300 0.140 0.000 1.036 71 V CB -0.998 30.916 31.823 0.152 0.000 0.654 71 V HN 0.846 nan 8.190 nan 0.000 0.451 72 H N 0.001 119.148 119.070 0.128 0.000 2.321 72 H HA -0.133 4.424 4.556 0.001 0.000 0.300 72 H C 2.283 177.666 175.328 0.092 0.000 1.087 72 H CA 1.379 57.504 56.048 0.127 0.000 1.319 72 H CB -0.160 29.675 29.762 0.122 0.000 1.379 72 H HN 0.447 nan 8.280 nan 0.000 0.501 73 G N 0.194 108.982 108.800 -0.020 0.000 2.418 73 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 73 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 73 G C 1.878 176.770 174.900 -0.014 0.000 1.158 73 G CA 0.826 45.864 45.100 -0.104 0.000 0.771 73 G HN 0.565 nan 8.290 nan 0.000 0.545 74 A N 0.546 123.392 122.820 0.043 0.000 1.902 74 A HA 0.086 4.407 4.320 0.001 0.000 0.217 74 A C 2.454 180.106 177.584 0.113 0.000 1.181 74 A CA 1.336 53.409 52.037 0.060 0.000 0.623 74 A CB -0.426 18.616 19.000 0.070 0.000 0.818 74 A HN 0.354 nan 8.150 nan 0.000 0.443 75 L N -0.796 120.536 121.223 0.182 0.000 2.046 75 L HA -0.178 4.163 4.340 0.001 0.000 0.208 75 L C 3.064 180.081 176.870 0.244 0.000 1.077 75 L CA 1.065 56.083 54.840 0.297 0.000 0.747 75 L CB -0.514 41.716 42.059 0.285 0.000 0.896 75 L HN 0.424 nan 8.230 nan 0.000 0.432 76 A N -0.106 122.808 122.820 0.157 0.000 2.019 76 A HA -0.075 4.246 4.320 0.001 0.000 0.219 76 A C 2.153 179.733 177.584 -0.007 0.000 1.164 76 A CA 1.576 53.665 52.037 0.087 0.000 0.644 76 A CB -0.527 18.472 19.000 -0.002 0.000 0.805 76 A HN 0.392 nan 8.150 nan 0.000 0.449 77 A N -1.616 121.185 122.820 -0.032 0.000 2.370 77 A HA 0.456 4.777 4.320 0.001 0.000 0.238 77 A C 1.508 179.004 177.584 -0.146 0.000 1.289 77 A CA 0.892 52.878 52.037 -0.085 0.000 0.885 77 A CB -1.057 17.902 19.000 -0.069 0.000 0.961 77 A HN 1.836 nan 8.150 nan 0.000 0.499 78 G N -1.792 106.859 108.800 -0.249 0.000 2.147 78 G HA2 0.119 4.080 3.960 0.001 0.000 0.244 78 G HA3 0.119 4.080 3.960 0.001 0.000 0.244 78 G C 0.234 175.013 174.900 -0.202 0.000 1.005 78 G CA 0.287 45.034 45.100 -0.587 0.000 0.713 78 G HN 1.683 nan 8.290 nan 0.000 0.515 79 A N 0.127 123.025 122.820 0.130 0.000 2.318 79 A HA 0.786 5.106 4.320 0.001 0.000 0.324 79 A C 0.474 178.259 177.584 0.335 0.000 1.170 79 A CA -0.649 51.501 52.037 0.189 0.000 0.810 79 A CB 0.880 19.924 19.000 0.073 0.000 1.198 79 A HN 0.754 nan 8.150 nan 0.000 0.484 80 L N 2.580 123.958 121.223 0.259 0.000 2.534 80 L HA 0.198 4.539 4.340 0.001 0.000 0.271 80 L C 0.168 177.107 176.870 0.115 0.000 1.178 80 L CA 0.490 55.404 54.840 0.123 0.000 0.907 80 L CB 0.272 42.406 42.059 0.125 0.000 1.164 80 L HN 0.765 nan 8.230 nan 0.000 0.482 81 T N 1.432 116.047 114.554 0.102 0.000 2.907 81 T HA 0.531 4.882 4.350 0.001 0.000 0.292 81 T C -0.264 174.499 174.700 0.104 0.000 1.043 81 T CA -0.493 61.669 62.100 0.102 0.000 1.003 81 T CB 2.417 71.356 68.868 0.118 0.000 1.084 81 T HN 0.569 nan 8.240 nan 0.000 0.483 82 T N 0.376 114.963 114.554 0.055 0.000 2.841 82 T HA 0.786 5.136 4.350 0.001 0.000 0.296 82 T C -1.391 173.158 174.700 -0.252 0.000 1.166 82 T CA -0.348 61.740 62.100 -0.020 0.000 1.007 82 T CB 2.128 71.035 68.868 0.065 0.000 1.253 82 T HN 0.739 nan 8.240 nan 0.000 0.511 83 T N 1.073 115.323 114.554 -0.507 0.000 2.840 83 T HA 0.699 5.050 4.350 0.001 0.000 0.317 83 T C -2.078 172.119 174.700 -0.839 0.000 1.401 83 T CA -0.494 61.201 62.100 -0.675 0.000 1.028 83 T CB 0.663 69.201 68.868 -0.550 0.000 1.317 83 T HN 0.396 nan 8.240 nan 0.000 0.495 84 F N 1.464 121.402 119.950 -0.021 0.000 2.529 84 F HA 0.781 5.309 4.527 0.001 0.000 0.320 84 F C 0.694 176.464 175.800 -0.050 0.000 1.118 84 F CA -0.576 57.442 58.000 0.030 0.000 0.915 84 F CB 2.468 41.517 39.000 0.081 0.000 1.161 84 F HN 0.618 nan 8.300 nan 0.000 0.445 85 T N 0.926 115.529 114.554 0.083 0.000 2.653 85 T HA 0.873 5.224 4.350 0.001 0.000 0.306 85 T C -1.939 172.744 174.700 -0.028 0.000 1.426 85 T CA -0.168 61.936 62.100 0.006 0.000 1.008 85 T CB 1.408 70.232 68.868 -0.073 0.000 1.692 85 T HN 1.252 nan 8.240 nan 0.000 0.483 86 A N 0.249 123.045 122.820 -0.039 0.000 2.549 86 A HA 0.751 5.072 4.320 0.001 0.000 0.291 86 A C 0.499 178.057 177.584 -0.042 0.000 1.034 86 A CA 0.717 52.717 52.037 -0.062 0.000 0.655 86 A CB 0.350 19.301 19.000 -0.083 0.000 1.299 86 A HN 2.106 nan 8.150 nan 0.000 0.427 87 S N -0.658 115.013 115.700 -0.049 0.000 4.046 87 S HA -0.343 4.128 4.470 0.001 0.000 0.572 87 S C 1.692 176.284 174.600 -0.013 0.000 2.022 87 S CA 2.291 60.474 58.200 -0.029 0.000 4.201 87 S CB -1.060 62.127 63.200 -0.021 0.000 0.438 87 S HN 1.360 nan 8.310 nan 0.000 0.618 88 Q N 0.847 120.652 119.800 0.007 0.000 2.217 88 Q HA -0.106 4.235 4.340 0.001 0.000 0.209 88 Q C 2.308 178.328 176.000 0.032 0.000 0.988 88 Q CA 2.126 57.946 55.803 0.028 0.000 0.878 88 Q CB -1.350 27.425 28.738 0.061 0.000 0.909 88 Q HN 0.821 nan 8.270 nan 0.000 0.424 89 G N 0.861 109.683 108.800 0.036 0.000 2.394 89 G HA2 -0.176 3.785 3.960 0.001 0.000 0.215 89 G HA3 -0.176 3.785 3.960 0.001 0.000 0.215 89 G C 1.476 176.365 174.900 -0.019 0.000 1.165 89 G CA 0.578 45.696 45.100 0.030 0.000 0.784 89 G HN 0.317 nan 8.290 nan 0.000 0.535 90 L N 0.759 121.963 121.223 -0.032 0.000 2.046 90 L HA 0.110 4.451 4.340 0.001 0.000 0.208 90 L C 2.693 179.540 176.870 -0.039 0.000 1.077 90 L CA 1.263 56.074 54.840 -0.049 0.000 0.747 90 L CB -0.505 41.515 42.059 -0.064 0.000 0.896 90 L HN 0.197 nan 8.230 nan 0.000 0.432 91 L N -1.183 120.024 121.223 -0.027 0.000 2.042 91 L HA -0.273 4.067 4.340 0.001 0.000 0.210 91 L C 2.482 179.347 176.870 -0.009 0.000 1.076 91 L CA 1.351 56.182 54.840 -0.016 0.000 0.749 91 L CB -0.706 41.349 42.059 -0.006 0.000 0.893 91 L HN 0.312 nan 8.230 nan 0.000 0.432 92 L N -0.947 120.268 121.223 -0.015 0.000 2.275 92 L HA -0.166 4.175 4.340 0.001 0.000 0.215 92 L C 2.401 179.261 176.870 -0.016 0.000 1.119 92 L CA 0.969 55.796 54.840 -0.022 0.000 0.790 92 L CB -0.299 41.733 42.059 -0.044 0.000 0.919 92 L HN 0.393 nan 8.230 nan 0.000 0.443 93 M N -1.090 118.500 119.600 -0.016 0.000 2.541 93 M HA -0.025 4.456 4.480 0.001 0.000 0.252 93 M C 2.091 178.414 176.300 0.039 0.000 1.125 93 M CA 0.774 56.082 55.300 0.013 0.000 1.091 93 M CB 0.040 32.642 32.600 0.003 0.000 1.420 93 M HN 0.188 nan 8.290 nan 0.000 0.486 94 I N 1.125 121.704 120.570 0.015 0.000 2.151 94 I HA -0.259 3.912 4.170 0.001 0.000 0.243 94 I C -0.571 175.646 176.117 0.165 0.000 1.080 94 I CA 1.882 63.200 61.300 0.030 0.000 1.339 94 I CB -1.799 36.233 38.000 0.053 0.000 1.039 94 I HN 0.153 nan 8.210 nan 0.000 0.409 95 P HA -0.153 nan 4.420 nan 0.000 0.215 95 P C 1.242 178.648 177.300 0.176 0.000 1.157 95 P CA 1.500 64.701 63.100 0.168 0.000 0.874 95 P CB -0.126 31.618 31.700 0.074 0.000 0.790 96 N N -1.312 117.465 118.700 0.128 0.000 2.309 96 N HA -0.063 4.678 4.740 0.001 0.000 0.182 96 N C 1.662 177.237 175.510 0.108 0.000 1.018 96 N CA 1.091 54.210 53.050 0.115 0.000 0.876 96 N CB -0.380 38.198 38.487 0.152 0.000 0.972 96 N HN 0.216 nan 8.380 nan 0.000 0.434 97 M N -0.543 119.111 119.600 0.090 0.000 2.117 97 M HA -0.189 4.292 4.480 0.001 0.000 0.262 97 M C 1.637 178.011 176.300 0.125 0.000 1.065 97 M CA 1.475 56.783 55.300 0.012 0.000 1.114 97 M CB -0.458 31.870 32.600 -0.453 0.000 1.361 97 M HN 0.125 nan 8.290 nan 0.000 0.408 98 Y N 0.439 120.767 120.300 0.047 0.000 2.224 98 Y HA -0.203 4.347 4.550 0.001 0.000 0.289 98 Y C 2.540 178.449 175.900 0.016 0.000 1.146 98 Y CA 1.194 59.321 58.100 0.044 0.000 1.182 98 Y CB -0.218 38.257 38.460 0.024 0.000 0.983 98 Y HN 0.075 nan 8.280 nan 0.000 0.524 99 K N 0.117 120.586 120.400 0.116 0.000 2.062 99 K HA -0.092 4.229 4.320 0.001 0.000 0.205 99 K C 2.006 178.487 176.600 -0.198 0.000 1.051 99 K CA 1.193 57.440 56.287 -0.067 0.000 0.941 99 K CB -0.479 31.898 32.500 -0.205 0.000 0.719 99 K HN 0.373 nan 8.250 nan 0.000 0.440 100 I N 1.425 121.876 120.570 -0.199 0.000 2.179 100 I HA -0.299 3.871 4.170 0.001 0.000 0.242 100 I C 2.595 178.629 176.117 -0.138 0.000 1.088 100 I CA 1.573 62.781 61.300 -0.153 0.000 1.357 100 I CB -0.379 37.627 38.000 0.010 0.000 1.051 100 I HN 0.166 nan 8.210 nan 0.000 0.409 101 S N 0.766 116.412 115.700 -0.091 0.000 2.371 101 S HA -0.056 4.415 4.470 0.001 0.000 0.224 101 S C 2.218 176.814 174.600 -0.008 0.000 1.029 101 S CA 0.851 58.980 58.200 -0.118 0.000 0.978 101 S CB -1.194 62.003 63.200 -0.005 0.000 0.833 101 S HN 0.447 nan 8.310 nan 0.000 0.466 102 G N 1.477 110.299 108.800 0.037 0.000 2.450 102 G HA2 -0.136 3.825 3.960 0.001 0.000 0.220 102 G HA3 -0.136 3.825 3.960 0.001 0.000 0.220 102 G C 1.211 176.117 174.900 0.010 0.000 1.130 102 G CA 0.754 45.884 45.100 0.050 0.000 0.760 102 G HN 0.701 nan 8.290 nan 0.000 0.557 103 E N -0.032 120.162 120.200 -0.010 0.000 2.451 103 E HA 0.326 4.677 4.350 0.001 0.000 0.194 103 E C 0.186 176.750 176.600 -0.061 0.000 1.027 103 E CA -0.484 55.914 56.400 -0.002 0.000 0.914 103 E CB 0.112 29.862 29.700 0.083 0.000 1.054 103 E HN 0.277 nan 8.360 nan 0.000 0.461 104 L N 1.610 122.760 121.223 -0.121 0.000 3.823 104 L HA -0.237 4.104 4.340 0.001 0.000 0.525 104 L C -0.643 176.141 176.870 -0.143 0.000 1.247 104 L CA 0.339 55.053 54.840 -0.210 0.000 0.776 104 L CB -1.371 40.457 42.059 -0.384 0.000 1.443 104 L HN 0.320 nan 8.230 nan 0.000 0.831 105 L N 2.801 123.949 121.223 -0.126 0.000 2.317 105 L HA 0.453 4.794 4.340 0.001 0.000 0.281 105 L C -1.412 175.346 176.870 -0.186 0.000 1.024 105 L CA -1.662 53.145 54.840 -0.055 0.000 0.810 105 L CB 1.624 43.709 42.059 0.044 0.000 1.240 105 L HN -0.039 nan 8.230 nan 0.000 0.427 106 P HA 0.063 nan 4.420 nan 0.000 0.228 106 P C 0.214 177.354 177.300 -0.266 0.000 1.748 106 P CA -0.012 62.891 63.100 -0.328 0.000 0.909 106 P CB -0.009 31.371 31.700 -0.534 0.000 1.882 107 G N -0.074 108.592 108.800 -0.223 0.000 2.476 107 G HA2 0.443 4.404 3.960 0.001 0.000 0.269 107 G HA3 0.443 4.404 3.960 0.001 0.000 0.269 107 G C -0.865 173.947 174.900 -0.147 0.000 1.195 107 G CA -0.254 44.782 45.100 -0.106 0.000 0.843 107 G HN 0.127 nan 8.290 nan 0.000 0.545 108 V N 1.683 121.585 119.914 -0.021 0.000 2.524 108 V HA 0.358 4.479 4.120 0.001 0.000 0.297 108 V C -0.800 175.358 176.094 0.107 0.000 1.035 108 V CA -0.587 61.635 62.300 -0.129 0.000 0.867 108 V CB 1.182 32.636 31.823 -0.615 0.000 1.004 108 V HN 0.668 nan 8.190 nan 0.000 0.426 109 F N 3.024 122.891 119.950 -0.138 0.000 2.415 109 F HA 0.526 5.054 4.527 0.002 0.000 0.348 109 F C 0.404 176.061 175.800 -0.238 0.000 1.119 109 F CA -0.740 57.171 58.000 -0.148 0.000 1.069 109 F CB 1.427 40.402 39.000 -0.042 0.000 1.124 109 F HN 0.544 nan 8.300 nan 0.000 0.472 110 H N 2.073 121.278 119.070 0.224 0.000 2.541 110 H HA 0.445 5.002 4.556 0.001 0.000 0.316 110 H C -0.782 174.637 175.328 0.152 0.000 1.043 110 H CA -0.522 55.697 56.048 0.286 0.000 1.232 110 H CB 1.596 31.668 29.762 0.516 0.000 1.406 110 H HN 0.237 nan 8.280 nan 0.000 0.469 111 V N 3.428 123.393 119.914 0.085 0.000 2.448 111 V HA 0.216 4.336 4.120 0.001 0.000 0.295 111 V C 0.051 175.898 176.094 -0.411 0.000 1.025 111 V CA -0.924 61.326 62.300 -0.082 0.000 0.859 111 V CB 1.836 33.639 31.823 -0.032 0.000 0.988 111 V HN 0.924 nan 8.190 nan 0.000 0.431 112 T N 2.219 116.513 114.554 -0.434 0.000 2.875 112 T HA 0.619 4.970 4.350 0.001 0.000 0.307 112 T C 0.312 174.852 174.700 -0.267 0.000 1.013 112 T CA -0.200 61.536 62.100 -0.606 0.000 0.970 112 T CB 0.840 69.457 68.868 -0.418 0.000 0.986 112 T HN 0.999 nan 8.240 nan 0.000 0.536 113 A N 4.300 127.022 122.820 -0.163 0.000 2.563 113 A HA 0.331 4.651 4.320 0.001 0.000 0.256 113 A C 0.701 178.281 177.584 -0.007 0.000 1.056 113 A CA -0.098 51.919 52.037 -0.034 0.000 0.775 113 A CB -0.206 18.890 19.000 0.160 0.000 0.973 113 A HN 0.970 nan 8.150 nan 0.000 0.516 114 R N 2.649 123.132 120.500 -0.028 0.000 2.744 114 R HA 0.622 4.963 4.340 0.001 0.000 0.279 114 R C -0.037 176.264 176.300 0.003 0.000 0.977 114 R CA -0.229 55.872 56.100 0.002 0.000 0.906 114 R CB 1.567 31.853 30.300 -0.023 0.000 1.197 114 R HN 0.944 nan 8.270 nan 0.000 0.463 115 A N 4.126 126.964 122.820 0.030 0.000 2.555 115 A HA 0.178 4.498 4.320 0.001 0.000 0.233 115 A C 0.173 177.763 177.584 0.009 0.000 1.060 115 A CA 0.038 52.089 52.037 0.024 0.000 0.759 115 A CB 0.093 19.122 19.000 0.049 0.000 0.995 115 A HN 0.524 nan 8.150 nan 0.000 0.506 116 I N 1.067 121.642 120.570 0.007 0.000 2.440 116 I HA 0.348 4.519 4.170 0.001 0.000 0.294 116 I C 0.990 177.104 176.117 -0.005 0.000 0.995 116 I CA -0.218 61.083 61.300 0.001 0.000 1.306 116 I CB 1.113 39.116 38.000 0.004 0.000 1.407 116 I HN 0.732 nan 8.210 nan 0.000 0.501 117 A N 4.978 127.788 122.820 -0.016 0.000 2.444 117 A HA 0.575 4.896 4.320 0.001 0.000 0.273 117 A C 0.479 178.043 177.584 -0.032 0.000 1.136 117 A CA 0.427 52.440 52.037 -0.040 0.000 0.799 117 A CB 0.153 19.130 19.000 -0.040 0.000 1.081 117 A HN 0.972 nan 8.150 nan 0.000 0.509 118 A N 2.147 124.942 122.820 -0.041 0.000 2.085 118 A HA 0.361 4.682 4.320 0.001 0.000 0.202 118 A C 1.601 179.196 177.584 0.017 0.000 2.124 118 A CA 0.521 52.569 52.037 0.019 0.000 1.584 118 A CB -0.502 18.554 19.000 0.093 0.000 1.136 118 A HN 1.035 nan 8.150 nan 0.000 0.493 119 H N 0.322 119.413 119.070 0.036 0.000 2.524 119 H HA 0.469 5.026 4.556 0.001 0.000 0.282 119 H C 0.319 175.691 175.328 0.074 0.000 1.016 119 H CA 1.315 57.400 56.048 0.061 0.000 1.270 119 H CB -0.233 29.567 29.762 0.064 0.000 1.394 119 H HN 0.705 nan 8.280 nan 0.000 0.568 120 A N 0.647 123.035 122.820 -0.719 0.000 2.601 120 A HA 0.489 4.810 4.320 0.001 0.000 0.291 120 A C -1.370 176.042 177.584 -0.286 0.000 1.075 120 A CA -0.785 50.965 52.037 -0.480 0.000 0.671 120 A CB 1.085 19.722 19.000 -0.606 0.000 1.277 120 A HN 0.281 nan 8.150 nan 0.000 0.417 121 L N 0.825 121.964 121.223 -0.140 0.000 2.379 121 L HA 0.837 5.178 4.340 0.001 0.000 0.269 121 L C 0.008 176.851 176.870 -0.045 0.000 1.084 121 L CA -0.045 54.750 54.840 -0.074 0.000 0.802 121 L CB 1.623 43.659 42.059 -0.038 0.000 1.175 121 L HN 0.891 nan 8.230 nan 0.000 0.448 122 S N 3.286 118.981 115.700 -0.009 0.000 2.566 122 S HA 0.365 4.836 4.470 0.001 0.000 0.273 122 S C 0.224 174.833 174.600 0.016 0.000 1.157 122 S CA -0.801 57.435 58.200 0.059 0.000 0.938 122 S CB 1.307 64.578 63.200 0.119 0.000 1.087 122 S HN 0.695 nan 8.310 nan 0.000 0.474 123 I N 1.015 121.532 120.570 -0.088 0.000 3.793 123 I HA 0.458 4.628 4.170 0.001 0.000 0.315 123 I C -0.376 175.628 176.117 -0.190 0.000 1.275 123 I CA -0.186 60.999 61.300 -0.192 0.000 1.214 123 I CB -0.205 37.612 38.000 -0.304 0.000 1.018 123 I HN 0.289 nan 8.210 nan 0.000 0.439 124 F N 2.082 122.115 119.950 0.138 0.000 2.362 124 F HA 0.640 5.168 4.527 0.001 0.000 0.311 124 F C 1.437 177.327 175.800 0.150 0.000 1.161 124 F CA -0.511 57.603 58.000 0.191 0.000 1.085 124 F CB 0.359 39.377 39.000 0.029 0.000 1.311 124 F HN -0.127 nan 8.300 nan 0.000 0.524 125 G N 0.463 109.502 108.800 0.398 0.000 2.370 125 G HA2 0.497 4.458 3.960 0.001 0.000 0.272 125 G HA3 0.497 4.458 3.960 0.001 0.000 0.272 125 G C -1.442 173.493 174.900 0.058 0.000 1.208 125 G CA -0.177 45.043 45.100 0.201 0.000 0.856 125 G HN 0.715 nan 8.290 nan 0.000 0.500 126 D N -1.159 119.233 120.400 -0.013 0.000 2.725 126 D HA 0.082 4.722 4.640 0.001 0.000 0.292 126 D C -0.290 175.956 176.300 -0.089 0.000 1.288 126 D CA -0.768 53.127 54.000 -0.175 0.000 0.784 126 D CB 0.229 40.938 40.800 -0.151 0.000 1.308 126 D HN 0.412 nan 8.370 nan 0.000 0.429 127 H N -0.610 118.382 119.070 -0.131 0.000 2.517 127 H HA 0.195 4.752 4.556 0.001 0.000 0.282 127 H C 0.978 176.202 175.328 -0.174 0.000 1.023 127 H CA -0.120 55.762 56.048 -0.278 0.000 1.169 127 H CB 0.546 29.979 29.762 -0.550 0.000 1.454 127 H HN 0.275 nan 8.280 nan 0.000 0.556 128 Q N 1.061 120.893 119.800 0.054 0.000 2.077 128 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 128 Q C 1.746 177.760 176.000 0.023 0.000 0.989 128 Q CA 1.855 57.703 55.803 0.075 0.000 0.853 128 Q CB 0.034 28.791 28.738 0.032 0.000 0.907 128 Q HN 0.685 nan 8.270 nan 0.000 0.418 129 D N 0.887 121.261 120.400 -0.043 0.000 2.097 129 D HA -0.180 4.460 4.640 0.001 0.000 0.197 129 D C 1.906 178.112 176.300 -0.156 0.000 0.984 129 D CA 1.405 55.357 54.000 -0.080 0.000 0.826 129 D CB -0.621 40.129 40.800 -0.084 0.000 0.973 129 D HN 0.463 nan 8.370 nan 0.000 0.460 130 I N -2.131 118.253 120.570 -0.310 0.000 2.361 130 I HA -0.145 4.026 4.170 0.001 0.000 0.251 130 I C 2.382 178.284 176.117 -0.358 0.000 1.133 130 I CA 0.956 61.955 61.300 -0.501 0.000 1.413 130 I CB -1.150 36.200 38.000 -1.083 0.000 1.073 130 I HN -0.085 nan 8.210 nan 0.000 0.424 131 Y N 1.282 121.424 120.300 -0.263 0.000 2.352 131 Y HA -0.001 4.550 4.550 0.001 0.000 0.292 131 Y C 2.711 178.548 175.900 -0.106 0.000 1.136 131 Y CA 0.439 58.434 58.100 -0.174 0.000 1.227 131 Y CB -0.168 38.211 38.460 -0.135 0.000 0.991 131 Y HN 0.284 nan 8.280 nan 0.000 0.545 132 A N -0.217 122.634 122.820 0.053 0.000 2.121 132 A HA 0.038 4.358 4.320 0.001 0.000 0.218 132 A C 1.977 179.545 177.584 -0.027 0.000 1.154 132 A CA 1.375 53.420 52.037 0.013 0.000 0.679 132 A CB -0.583 18.415 19.000 -0.003 0.000 0.795 132 A HN 0.341 nan 8.150 nan 0.000 0.458 133 A N -0.082 122.692 122.820 -0.077 0.000 2.430 133 A HA 0.243 4.564 4.320 0.001 0.000 0.243 133 A C 1.742 179.245 177.584 -0.135 0.000 1.254 133 A CA 0.368 52.314 52.037 -0.152 0.000 0.914 133 A CB -0.331 18.528 19.000 -0.235 0.000 0.998 133 A HN 0.629 nan 8.150 nan 0.000 0.515 134 R N 0.411 120.898 120.500 -0.022 0.000 2.193 134 R HA -0.136 4.205 4.340 0.001 0.000 0.229 134 R C 1.324 177.618 176.300 -0.010 0.000 1.110 134 R CA 1.525 57.658 56.100 0.056 0.000 0.988 134 R CB -0.202 30.245 30.300 0.246 0.000 0.871 134 R HN 0.503 nan 8.270 nan 0.000 0.458 135 Q N 1.341 121.105 119.800 -0.060 0.000 2.319 135 Q HA 0.001 4.342 4.340 0.001 0.000 0.202 135 Q C 1.037 176.889 176.000 -0.247 0.000 0.896 135 Q CA 1.148 56.908 55.803 -0.072 0.000 0.942 135 Q CB 0.372 29.127 28.738 0.028 0.000 1.083 135 Q HN 0.431 nan 8.270 nan 0.000 0.510 136 T N -3.127 111.166 114.554 -0.436 0.000 3.035 136 T HA 0.223 4.574 4.350 0.001 0.000 0.268 136 T C 1.448 175.974 174.700 -0.289 0.000 1.109 136 T CA 1.042 62.668 62.100 -0.790 0.000 1.119 136 T CB -0.121 68.342 68.868 -0.675 0.000 0.900 136 T HN 0.533 nan 8.240 nan 0.000 0.503 137 G N 0.326 109.071 108.800 -0.091 0.000 2.176 137 G HA2 -0.166 3.795 3.960 0.001 0.000 0.232 137 G HA3 -0.166 3.795 3.960 0.001 0.000 0.232 137 G C -0.171 174.838 174.900 0.180 0.000 0.986 137 G CA -0.329 44.800 45.100 0.048 0.000 0.643 137 G HN 0.486 nan 8.290 nan 0.000 0.522 138 F N 1.940 121.793 119.950 -0.163 0.000 2.399 138 F HA 0.672 5.200 4.527 0.001 0.000 0.342 138 F C 1.060 176.712 175.800 -0.246 0.000 1.106 138 F CA -0.155 57.701 58.000 -0.240 0.000 1.196 138 F CB 1.229 40.037 39.000 -0.320 0.000 1.163 138 F HN 0.339 nan 8.300 nan 0.000 0.547 139 A N 4.992 127.585 122.820 -0.378 0.000 2.351 139 A HA 0.635 4.956 4.320 0.001 0.000 0.257 139 A C -0.463 176.929 177.584 -0.321 0.000 1.087 139 A CA -0.376 51.327 52.037 -0.557 0.000 0.798 139 A CB 0.196 18.308 19.000 -1.481 0.000 1.033 139 A HN 0.774 nan 8.150 nan 0.000 0.488 140 M N 1.817 121.367 119.600 -0.083 0.000 2.151 140 M HA 0.391 4.872 4.480 0.001 0.000 0.290 140 M C -1.314 175.154 176.300 0.280 0.000 0.965 140 M CA -0.320 55.104 55.300 0.207 0.000 0.930 140 M CB 1.869 34.661 32.600 0.322 0.000 1.560 140 M HN 0.528 nan 8.290 nan 0.000 0.438 141 L N 3.323 124.728 121.223 0.304 0.000 2.349 141 L HA 0.892 5.232 4.340 0.001 0.000 0.278 141 L C -0.700 176.109 176.870 -0.102 0.000 0.996 141 L CA -0.180 54.756 54.840 0.160 0.000 0.825 141 L CB 1.519 43.729 42.059 0.252 0.000 1.243 141 L HN 0.801 nan 8.230 nan 0.000 0.412 142 A N 3.299 125.893 122.820 -0.376 0.000 2.310 142 A HA 0.797 5.118 4.320 0.001 0.000 0.299 142 A C -0.356 177.052 177.584 -0.293 0.000 1.147 142 A CA -0.101 51.463 52.037 -0.789 0.000 0.818 142 A CB 0.635 19.191 19.000 -0.740 0.000 1.096 142 A HN 0.831 nan 8.150 nan 0.000 0.495 143 S N 0.476 116.068 115.700 -0.180 0.000 2.532 143 S HA 0.522 4.993 4.470 0.001 0.000 0.299 143 S C 0.190 174.818 174.600 0.046 0.000 1.105 143 S CA 0.079 58.274 58.200 -0.009 0.000 1.018 143 S CB 1.534 64.822 63.200 0.146 0.000 1.021 143 S HN 1.263 nan 8.310 nan 0.000 0.483 144 S N 0.755 116.497 115.700 0.069 0.000 2.554 144 S HA 0.444 4.915 4.470 0.001 0.000 0.226 144 S C 0.428 175.110 174.600 0.138 0.000 0.980 144 S CA 0.068 58.344 58.200 0.126 0.000 0.939 144 S CB -0.689 62.592 63.200 0.134 0.000 0.832 144 S HN 1.370 nan 8.310 nan 0.000 0.486 145 S N -0.946 114.823 115.700 0.115 0.000 2.588 145 S HA 0.511 4.982 4.470 0.001 0.000 0.269 145 S C 0.557 175.198 174.600 0.068 0.000 1.157 145 S CA -0.428 57.835 58.200 0.105 0.000 0.824 145 S CB 0.834 64.096 63.200 0.103 0.000 1.126 145 S HN -0.043 nan 8.310 nan 0.000 0.464 146 V N 1.276 121.228 119.914 0.064 0.000 2.392 146 V HA -0.174 3.947 4.120 0.001 0.000 0.249 146 V C 2.882 178.997 176.094 0.035 0.000 1.059 146 V CA 2.621 64.937 62.300 0.027 0.000 1.051 146 V CB -1.069 30.784 31.823 0.049 0.000 0.658 146 V HN 0.968 nan 8.190 nan 0.000 0.455 147 Q N 0.561 120.402 119.800 0.069 0.000 2.079 147 Q HA -0.199 4.142 4.340 0.001 0.000 0.200 147 Q C 2.085 178.165 176.000 0.133 0.000 0.974 147 Q CA 1.951 57.811 55.803 0.094 0.000 0.840 147 Q CB -0.291 28.514 28.738 0.112 0.000 0.898 147 Q HN 0.707 nan 8.270 nan 0.000 0.430 148 E N -0.535 119.731 120.200 0.111 0.000 2.208 148 E HA -0.096 4.255 4.350 0.001 0.000 0.193 148 E C 1.818 178.403 176.600 -0.024 0.000 0.988 148 E CA 0.589 57.008 56.400 0.031 0.000 0.828 148 E CB -0.138 29.557 29.700 -0.009 0.000 0.763 148 E HN 0.488 nan 8.360 nan 0.000 0.478 149 A N 1.651 124.468 122.820 -0.004 0.000 1.908 149 A HA -0.252 4.069 4.320 0.001 0.000 0.218 149 A C 2.094 179.664 177.584 -0.024 0.000 1.181 149 A CA 1.737 53.753 52.037 -0.035 0.000 0.627 149 A CB -0.739 18.052 19.000 -0.349 0.000 0.818 149 A HN 0.373 nan 8.150 nan 0.000 0.445 150 H N 0.185 119.217 119.070 -0.063 0.000 2.299 150 H HA -0.131 4.426 4.556 0.001 0.000 0.302 150 H C 1.340 176.643 175.328 -0.042 0.000 1.078 150 H CA 1.933 57.969 56.048 -0.020 0.000 1.323 150 H CB -0.256 29.512 29.762 0.010 0.000 1.381 150 H HN 0.390 nan 8.280 nan 0.000 0.498 151 D N 0.567 121.014 120.400 0.079 0.000 2.117 151 D HA -0.136 4.505 4.640 0.001 0.000 0.197 151 D C 2.422 178.595 176.300 -0.211 0.000 0.987 151 D CA 0.896 54.897 54.000 0.002 0.000 0.829 151 D CB -0.139 40.755 40.800 0.156 0.000 0.961 151 D HN 0.349 nan 8.370 nan 0.000 0.460 152 M N 0.538 119.944 119.600 -0.323 0.000 2.200 152 M HA 0.043 4.524 4.480 0.001 0.000 0.265 152 M C 2.298 178.291 176.300 -0.511 0.000 1.066 152 M CA 0.562 55.624 55.300 -0.396 0.000 1.127 152 M CB -1.107 31.282 32.600 -0.351 0.000 1.379 152 M HN -0.038 nan 8.290 nan 0.000 0.420 153 A N 0.509 122.920 122.820 -0.683 0.000 1.908 153 A HA -0.186 4.134 4.320 0.001 0.000 0.218 153 A C 2.240 179.784 177.584 -0.066 0.000 1.181 153 A CA 1.594 53.407 52.037 -0.373 0.000 0.627 153 A CB -0.948 17.949 19.000 -0.172 0.000 0.818 153 A HN 0.419 nan 8.150 nan 0.000 0.445 154 L N -0.222 120.883 121.223 -0.196 0.000 2.056 154 L HA -0.075 4.266 4.340 0.001 0.000 0.207 154 L C 2.404 179.168 176.870 -0.177 0.000 1.078 154 L CA 1.832 56.572 54.840 -0.166 0.000 0.749 154 L CB -0.599 41.328 42.059 -0.220 0.000 0.901 154 L HN 0.146 nan 8.230 nan 0.000 0.433 155 V N 0.204 120.001 119.914 -0.196 0.000 2.295 155 V HA -0.313 3.808 4.120 0.001 0.000 0.246 155 V C 2.830 178.682 176.094 -0.404 0.000 1.049 155 V CA 1.677 63.846 62.300 -0.219 0.000 1.024 155 V CB -1.357 30.387 31.823 -0.132 0.000 0.648 155 V HN 0.618 nan 8.190 nan 0.000 0.447 156 A N -1.079 121.508 122.820 -0.389 0.000 1.892 156 A HA -0.289 4.032 4.320 0.001 0.000 0.218 156 A C 2.135 179.280 177.584 -0.733 0.000 1.188 156 A CA 2.122 53.781 52.037 -0.631 0.000 0.631 156 A CB -0.833 18.029 19.000 -0.230 0.000 0.822 156 A HN 0.685 nan 8.150 nan 0.000 0.447 157 H N -0.402 118.438 119.070 -0.383 0.000 2.293 157 H HA -0.053 4.504 4.556 0.001 0.000 0.300 157 H C 2.211 177.258 175.328 -0.467 0.000 1.082 157 H CA 1.777 57.624 56.048 -0.335 0.000 1.308 157 H CB -0.428 29.210 29.762 -0.206 0.000 1.375 157 H HN 0.415 nan 8.280 nan 0.000 0.495 158 L N 0.258 121.213 121.223 -0.446 0.000 2.013 158 L HA -0.217 4.123 4.340 0.001 0.000 0.212 158 L C 2.929 179.250 176.870 -0.915 0.000 1.073 158 L CA 1.245 55.606 54.840 -0.799 0.000 0.753 158 L CB -0.544 40.777 42.059 -1.230 0.000 0.890 158 L HN 0.231 nan 8.230 nan 0.000 0.432 159 A N -0.383 121.929 122.820 -0.845 0.000 1.930 159 A HA -0.074 4.247 4.320 0.001 0.000 0.217 159 A C 2.502 179.794 177.584 -0.487 0.000 1.175 159 A CA 1.500 53.190 52.037 -0.580 0.000 0.627 159 A CB -0.600 18.002 19.000 -0.664 0.000 0.815 159 A HN 0.410 nan 8.150 nan 0.000 0.443 160 A N -0.003 122.424 122.820 -0.656 0.000 1.898 160 A HA -0.032 4.289 4.320 0.001 0.000 0.216 160 A C 2.090 179.526 177.584 -0.248 0.000 1.181 160 A CA 1.401 53.250 52.037 -0.312 0.000 0.620 160 A CB -0.551 18.269 19.000 -0.300 0.000 0.819 160 A HN 0.480 nan 8.150 nan 0.000 0.442 161 I N -0.709 119.690 120.570 -0.285 0.000 2.142 161 I HA -0.262 3.909 4.170 0.001 0.000 0.240 161 I C 2.584 178.626 176.117 -0.124 0.000 1.078 161 I CA 1.937 63.096 61.300 -0.235 0.000 1.343 161 I CB -0.265 37.616 38.000 -0.198 0.000 1.046 161 I HN 0.504 nan 8.210 nan 0.000 0.405 162 E N 0.547 120.696 120.200 -0.084 0.000 2.152 162 E HA -0.189 4.162 4.350 0.001 0.000 0.192 162 E C 2.112 178.742 176.600 0.050 0.000 0.983 162 E CA 1.419 57.838 56.400 0.031 0.000 0.818 162 E CB 0.131 29.923 29.700 0.153 0.000 0.758 162 E HN 0.515 nan 8.360 nan 0.000 0.467 163 S N -0.538 115.179 115.700 0.027 0.000 2.503 163 S HA 0.051 4.522 4.470 0.001 0.000 0.217 163 S C 0.881 175.526 174.600 0.075 0.000 0.999 163 S CA 0.256 58.498 58.200 0.071 0.000 0.914 163 S CB 0.190 63.442 63.200 0.086 0.000 0.782 163 S HN 0.316 nan 8.310 nan 0.000 0.520 164 N N 0.135 118.824 118.700 -0.019 0.000 2.800 164 N HA -0.117 4.624 4.740 0.001 0.000 0.250 164 N C -0.996 174.399 175.510 -0.192 0.000 1.078 164 N CA 0.866 53.858 53.050 -0.097 0.000 0.804 164 N CB -1.484 36.954 38.487 -0.082 0.000 1.135 164 N HN 0.398 nan 8.380 nan 0.000 0.565 165 V N 2.331 122.135 119.914 -0.183 0.000 2.384 165 V HA 0.362 4.483 4.120 0.001 0.000 0.287 165 V C -1.728 174.189 176.094 -0.295 0.000 1.020 165 V CA -1.242 60.857 62.300 -0.334 0.000 0.850 165 V CB 1.945 33.488 31.823 -0.466 0.000 0.987 165 V HN -0.052 nan 8.190 nan 0.000 0.436 166 P HA 0.156 nan 4.420 nan 0.000 0.269 166 P C -1.107 175.805 177.300 -0.647 0.000 1.215 166 P CA 0.046 62.678 63.100 -0.779 0.000 0.780 166 P CB 0.663 31.366 31.700 -1.661 0.000 0.898 167 F N 0.997 120.630 119.950 -0.528 0.000 2.546 167 F HA 0.527 5.055 4.527 0.001 0.000 0.320 167 F C 0.719 176.518 175.800 -0.002 0.000 1.076 167 F CA -0.863 57.005 58.000 -0.219 0.000 0.928 167 F CB 2.071 40.949 39.000 -0.205 0.000 1.189 167 F HN 0.154 nan 8.300 nan 0.000 0.465 168 M N 4.327 124.080 119.600 0.255 0.000 2.043 168 M HA 0.297 4.778 4.480 0.001 0.000 0.322 168 M C -1.627 174.897 176.300 0.372 0.000 0.962 168 M CA -0.667 54.795 55.300 0.271 0.000 0.927 168 M CB 0.406 33.107 32.600 0.167 0.000 1.466 168 M HN 0.685 nan 8.290 nan 0.000 0.412 169 H N 6.274 125.482 119.070 0.229 0.000 2.604 169 H HA 0.512 5.069 4.556 0.001 0.000 0.306 169 H C -1.901 173.677 175.328 0.416 0.000 1.075 169 H CA -0.403 55.821 56.048 0.294 0.000 1.357 169 H CB 0.312 30.266 29.762 0.320 0.000 1.426 169 H HN 0.569 nan 8.280 nan 0.000 0.470 170 F N 4.623 124.559 119.950 -0.023 0.000 2.588 170 F HA 0.706 5.234 4.527 0.001 0.000 0.314 170 F C -1.889 173.920 175.800 0.016 0.000 1.069 170 F CA -1.435 56.462 58.000 -0.172 0.000 0.931 170 F CB 1.285 40.179 39.000 -0.178 0.000 1.260 170 F HN 0.360 nan 8.300 nan 0.000 0.465 171 F N -1.144 118.805 119.950 -0.002 0.000 2.645 171 F HA 0.516 5.044 4.527 0.001 0.000 0.310 171 F C -1.242 174.662 175.800 0.173 0.000 1.102 171 F CA -1.478 56.537 58.000 0.025 0.000 0.952 171 F CB 0.790 39.797 39.000 0.011 0.000 1.326 171 F HN 0.325 nan 8.300 nan 0.000 0.456 172 D N 1.696 122.306 120.400 0.350 0.000 2.434 172 D HA 0.261 4.902 4.640 0.001 0.000 0.252 172 D C 0.551 176.984 176.300 0.221 0.000 1.185 172 D CA 0.531 54.698 54.000 0.279 0.000 0.886 172 D CB 1.135 42.112 40.800 0.294 0.000 1.148 172 D HN 0.991 nan 8.370 nan 0.000 0.483 173 G N 1.724 110.594 108.800 0.116 0.000 2.225 173 G HA2 0.139 4.100 3.960 0.001 0.000 0.245 173 G HA3 0.139 4.100 3.960 0.001 0.000 0.245 173 G C 0.514 175.557 174.900 0.238 0.000 1.249 173 G CA -0.112 45.012 45.100 0.041 0.000 0.919 173 G HN 0.491 nan 8.290 nan 0.000 0.486 174 F N 0.339 120.388 119.950 0.165 0.000 2.560 174 F HA -0.336 4.192 4.527 0.001 0.000 0.695 174 F C 2.334 178.410 175.800 0.459 0.000 0.486 174 F CA 2.276 60.400 58.000 0.207 0.000 0.722 174 F CB -1.157 37.972 39.000 0.215 0.000 1.608 174 F HN 0.535 nan 8.300 nan 0.000 0.266 175 R N 0.468 121.314 120.500 0.577 0.000 2.170 175 R HA -0.065 4.276 4.340 0.001 0.000 0.242 175 R C 1.667 178.184 176.300 0.362 0.000 1.145 175 R CA 2.550 58.890 56.100 0.400 0.000 0.984 175 R CB -0.702 29.745 30.300 0.246 0.000 0.869 175 R HN 0.646 nan 8.270 nan 0.000 0.455 176 T N -2.122 112.670 114.554 0.396 0.000 3.125 176 T HA 0.019 4.370 4.350 0.001 0.000 0.252 176 T C 1.501 176.450 174.700 0.415 0.000 0.981 176 T CA 0.487 62.807 62.100 0.365 0.000 1.069 176 T CB -0.064 69.037 68.868 0.388 0.000 1.091 176 T HN 0.365 nan 8.240 nan 0.000 0.460 177 S N 1.689 117.727 115.700 0.564 0.000 2.387 177 S HA -0.215 4.256 4.470 0.001 0.000 0.230 177 S C 1.506 176.352 174.600 0.411 0.000 1.035 177 S CA 1.627 60.183 58.200 0.593 0.000 1.014 177 S CB -0.502 62.983 63.200 0.476 0.000 0.836 177 S HN 0.556 nan 8.310 nan 0.000 0.466 178 H N 0.650 119.852 119.070 0.220 0.000 2.652 178 H HA 0.479 5.036 4.556 0.001 0.000 0.274 178 H C 0.283 175.773 175.328 0.270 0.000 1.021 178 H CA -0.235 55.943 56.048 0.217 0.000 1.187 178 H CB 0.112 30.032 29.762 0.263 0.000 1.505 178 H HN 0.645 nan 8.280 nan 0.000 0.530 179 E N 1.289 121.736 120.200 0.412 0.000 2.338 179 E HA 0.170 4.520 4.350 0.001 0.000 0.272 179 E C -0.509 176.219 176.600 0.214 0.000 1.029 179 E CA -0.313 56.301 56.400 0.357 0.000 0.872 179 E CB 0.645 30.535 29.700 0.315 0.000 1.015 179 E HN 0.242 nan 8.360 nan 0.000 0.417 180 I N 4.133 124.806 120.570 0.170 0.000 2.353 180 I HA 0.219 4.390 4.170 0.001 0.000 0.293 180 I C 0.160 176.321 176.117 0.074 0.000 0.992 180 I CA -0.471 60.902 61.300 0.121 0.000 1.268 180 I CB 1.262 39.346 38.000 0.141 0.000 1.387 180 I HN 0.454 nan 8.210 nan 0.000 0.478 181 Q N 4.788 124.629 119.800 0.068 0.000 2.418 181 Q HA 0.316 4.657 4.340 0.001 0.000 0.282 181 Q C -1.111 174.928 176.000 0.065 0.000 1.044 181 Q CA -0.983 54.858 55.803 0.065 0.000 0.813 181 Q CB 3.393 32.175 28.738 0.073 0.000 1.428 181 Q HN 0.485 nan 8.270 nan 0.000 0.402 182 K N 3.165 123.617 120.400 0.086 0.000 2.285 182 K HA 0.469 4.790 4.320 0.001 0.000 0.286 182 K C -0.276 176.370 176.600 0.076 0.000 1.072 182 K CA 0.036 56.360 56.287 0.062 0.000 0.913 182 K CB 0.135 32.666 32.500 0.052 0.000 1.067 182 K HN 0.599 nan 8.250 nan 0.000 0.479 183 I N -0.631 119.951 120.570 0.020 0.000 3.466 183 I HA 0.494 4.665 4.170 0.001 0.000 0.311 183 I C -1.195 174.882 176.117 -0.066 0.000 1.155 183 I CA -1.147 60.155 61.300 0.003 0.000 0.959 183 I CB 2.093 40.083 38.000 -0.018 0.000 1.332 183 I HN 0.437 nan 8.210 nan 0.000 0.483 184 E N 1.705 121.839 120.200 -0.110 0.000 2.199 184 E HA 0.573 4.924 4.350 0.001 0.000 0.269 184 E C -1.137 175.235 176.600 -0.381 0.000 0.899 184 E CA -0.871 55.429 56.400 -0.167 0.000 0.772 184 E CB 3.001 32.644 29.700 -0.094 0.000 1.155 184 E HN 0.576 nan 8.360 nan 0.000 0.408 185 V N 0.331 120.015 119.914 -0.384 0.000 2.960 185 V HA 0.609 4.730 4.120 0.001 0.000 0.315 185 V C -0.487 175.547 176.094 -0.101 0.000 1.087 185 V CA -1.016 60.947 62.300 -0.562 0.000 0.982 185 V CB 1.388 32.885 31.823 -0.543 0.000 1.039 185 V HN 0.544 nan 8.190 nan 0.000 0.437 186 L N 1.469 122.845 121.223 0.256 0.000 2.375 186 L HA 0.550 4.890 4.340 0.001 0.000 0.268 186 L C 0.061 177.139 176.870 0.346 0.000 1.058 186 L CA -0.675 54.324 54.840 0.265 0.000 0.803 186 L CB 1.196 43.423 42.059 0.279 0.000 1.212 186 L HN 0.687 nan 8.230 nan 0.000 0.451 187 D N -0.148 120.378 120.400 0.209 0.000 2.357 187 D HA -0.014 4.626 4.640 0.001 0.000 0.242 187 D C 0.659 177.128 176.300 0.283 0.000 1.153 187 D CA -0.036 54.079 54.000 0.191 0.000 0.918 187 D CB 0.748 41.598 40.800 0.084 0.000 1.181 187 D HN 0.316 nan 8.370 nan 0.000 0.435 188 Y N 0.840 121.121 120.300 -0.032 0.000 2.274 188 Y HA -0.134 4.417 4.550 0.001 0.000 0.290 188 Y C 2.311 178.169 175.900 -0.071 0.000 1.145 188 Y CA 0.666 58.716 58.100 -0.084 0.000 1.203 188 Y CB -1.033 37.360 38.460 -0.111 0.000 0.984 188 Y HN 0.461 nan 8.280 nan 0.000 0.533 189 A N 0.195 123.086 122.820 0.120 0.000 1.902 189 A HA -0.197 4.124 4.320 0.001 0.000 0.217 189 A C 1.988 179.588 177.584 0.027 0.000 1.181 189 A CA 2.039 54.103 52.037 0.045 0.000 0.623 189 A CB -0.698 18.323 19.000 0.035 0.000 0.818 189 A HN 0.323 nan 8.150 nan 0.000 0.443 190 D N -0.407 120.023 120.400 0.050 0.000 2.117 190 D HA -0.136 4.505 4.640 0.001 0.000 0.197 190 D C 2.027 178.338 176.300 0.019 0.000 0.987 190 D CA 1.437 55.463 54.000 0.043 0.000 0.829 190 D CB -0.373 40.469 40.800 0.070 0.000 0.961 190 D HN 0.506 nan 8.370 nan 0.000 0.460 191 M N 0.367 119.967 119.600 -0.001 0.000 2.117 191 M HA -0.112 4.369 4.480 0.001 0.000 0.262 191 M C 2.306 178.542 176.300 -0.107 0.000 1.065 191 M CA 1.424 56.681 55.300 -0.072 0.000 1.114 191 M CB -0.228 32.274 32.600 -0.164 0.000 1.361 191 M HN -0.012 nan 8.290 nan 0.000 0.408 192 A N 0.370 123.117 122.820 -0.121 0.000 1.940 192 A HA -0.177 4.144 4.320 0.001 0.000 0.219 192 A C 2.254 179.793 177.584 -0.076 0.000 1.176 192 A CA 2.157 54.106 52.037 -0.148 0.000 0.631 192 A CB -0.959 17.951 19.000 -0.149 0.000 0.814 192 A HN 0.600 nan 8.150 nan 0.000 0.446 193 S N -1.383 114.297 115.700 -0.032 0.000 2.515 193 S HA 0.045 4.516 4.470 0.001 0.000 0.231 193 S C 1.307 175.919 174.600 0.021 0.000 0.987 193 S CA 1.032 59.231 58.200 -0.001 0.000 0.936 193 S CB -0.197 63.010 63.200 0.011 0.000 0.766 193 S HN 0.200 nan 8.310 nan 0.000 0.528 194 L N 1.492 122.728 121.223 0.021 0.000 2.585 194 L HA 0.430 4.771 4.340 0.001 0.000 0.226 194 L C 0.376 177.306 176.870 0.100 0.000 1.113 194 L CA 0.122 55.012 54.840 0.083 0.000 0.876 194 L CB -0.059 42.054 42.059 0.090 0.000 1.072 194 L HN 0.172 nan 8.230 nan 0.000 0.468 195 V N 1.195 121.116 119.914 0.011 0.000 2.637 195 V HA 0.026 4.147 4.120 0.001 0.000 0.296 195 V C 0.762 176.891 176.094 0.058 0.000 1.046 195 V CA -0.419 61.877 62.300 -0.007 0.000 1.066 195 V CB 0.752 32.544 31.823 -0.052 0.000 0.968 195 V HN 0.305 nan 8.190 nan 0.000 0.483 196 N N 4.745 123.492 118.700 0.078 0.000 2.421 196 N HA 0.042 4.782 4.740 0.001 0.000 0.260 196 N C 1.082 176.640 175.510 0.079 0.000 1.173 196 N CA -0.078 53.031 53.050 0.099 0.000 0.960 196 N CB 1.067 39.629 38.487 0.124 0.000 1.273 196 N HN 0.580 nan 8.380 nan 0.000 0.497 197 Q N 2.351 122.196 119.800 0.075 0.000 2.181 197 Q HA -0.117 4.223 4.340 0.001 0.000 0.205 197 Q C 1.053 177.104 176.000 0.085 0.000 0.980 197 Q CA 1.244 57.099 55.803 0.085 0.000 0.862 197 Q CB 0.179 28.961 28.738 0.073 0.000 0.905 197 Q HN 0.524 nan 8.270 nan 0.000 0.429 198 K N 0.308 120.751 120.400 0.071 0.000 2.062 198 K HA 0.057 4.378 4.320 0.001 0.000 0.205 198 K C 2.008 178.656 176.600 0.080 0.000 1.051 198 K CA 1.005 57.331 56.287 0.066 0.000 0.941 198 K CB -0.396 32.135 32.500 0.051 0.000 0.719 198 K HN 0.146 nan 8.250 nan 0.000 0.440 199 A N 1.592 124.462 122.820 0.083 0.000 1.908 199 A HA -0.163 4.157 4.320 0.001 0.000 0.218 199 A C 2.224 179.886 177.584 0.131 0.000 1.181 199 A CA 1.346 53.440 52.037 0.094 0.000 0.627 199 A CB -0.604 18.440 19.000 0.074 0.000 0.818 199 A HN 0.221 nan 8.150 nan 0.000 0.445 200 L N -0.227 121.075 121.223 0.132 0.000 2.017 200 L HA -0.075 4.266 4.340 0.001 0.000 0.208 200 L C 2.675 179.677 176.870 0.221 0.000 1.073 200 L CA 2.286 57.245 54.840 0.199 0.000 0.745 200 L CB -0.791 41.382 42.059 0.189 0.000 0.894 200 L HN 0.340 nan 8.230 nan 0.000 0.432 201 A N -0.855 122.049 122.820 0.139 0.000 1.902 201 A HA -0.241 4.080 4.320 0.001 0.000 0.217 201 A C 2.248 179.879 177.584 0.078 0.000 1.181 201 A CA 1.706 53.797 52.037 0.090 0.000 0.623 201 A CB -0.720 18.317 19.000 0.062 0.000 0.818 201 A HN 0.541 nan 8.150 nan 0.000 0.443 202 E N -0.626 119.633 120.200 0.100 0.000 2.150 202 E HA -0.162 4.189 4.350 0.001 0.000 0.193 202 E C 1.556 178.229 176.600 0.122 0.000 0.985 202 E CA 1.357 57.809 56.400 0.087 0.000 0.814 202 E CB -0.507 29.248 29.700 0.092 0.000 0.752 202 E HN 0.599 nan 8.360 nan 0.000 0.466 203 F N 0.983 120.943 119.950 0.016 0.000 2.186 203 F HA -0.007 4.520 4.527 0.001 0.000 0.299 203 F C 1.916 177.727 175.800 0.020 0.000 1.090 203 F CA 1.475 59.483 58.000 0.012 0.000 1.307 203 F CB -0.115 38.892 39.000 0.011 0.000 1.019 203 F HN -0.074 nan 8.300 nan 0.000 0.489 204 R N 0.319 120.686 120.500 -0.221 0.000 2.090 204 R HA 0.041 4.381 4.340 0.001 0.000 0.228 204 R C 2.465 178.672 176.300 -0.155 0.000 1.110 204 R CA 1.009 56.906 56.100 -0.338 0.000 0.973 204 R CB -0.830 29.379 30.300 -0.152 0.000 0.869 204 R HN 0.383 nan 8.270 nan 0.000 0.440 205 A N 2.399 125.175 122.820 -0.073 0.000 1.969 205 A HA -0.194 4.127 4.320 0.001 0.000 0.218 205 A C 1.935 179.510 177.584 -0.014 0.000 1.169 205 A CA 1.551 53.553 52.037 -0.060 0.000 0.635 205 A CB -0.253 18.701 19.000 -0.077 0.000 0.810 205 A HN 0.387 nan 8.150 nan 0.000 0.445 206 K N -0.551 119.835 120.400 -0.024 0.000 2.404 206 K HA 0.234 4.555 4.320 0.001 0.000 0.194 206 K C 0.277 176.896 176.600 0.031 0.000 1.023 206 K CA 0.346 56.629 56.287 -0.008 0.000 1.094 206 K CB 0.104 32.583 32.500 -0.035 0.000 0.841 206 K HN 0.195 nan 8.250 nan 0.000 0.523 207 S N 1.433 117.120 115.700 -0.021 0.000 2.600 207 S HA 0.193 4.664 4.470 0.001 0.000 0.265 207 S C 0.214 174.869 174.600 0.093 0.000 1.325 207 S CA -0.666 57.516 58.200 -0.029 0.000 1.002 207 S CB 0.469 63.507 63.200 -0.270 0.000 0.921 207 S HN 0.217 nan 8.310 nan 0.000 0.554 208 M N 3.206 122.823 119.600 0.028 0.000 2.284 208 M HA 0.062 4.543 4.480 0.001 0.000 0.351 208 M C 0.271 176.444 176.300 -0.212 0.000 1.443 208 M CA 0.793 56.008 55.300 -0.142 0.000 1.031 208 M CB -0.287 32.210 32.600 -0.171 0.000 1.893 208 M HN 0.505 nan 8.290 nan 0.000 0.456 209 N N 5.048 123.549 118.700 -0.331 0.000 2.554 209 N HA 0.210 4.951 4.740 0.001 0.000 0.271 209 N C -2.482 172.790 175.510 -0.397 0.000 1.081 209 N CA -0.995 51.810 53.050 -0.408 0.000 0.994 209 N CB 2.315 40.430 38.487 -0.620 0.000 1.641 209 N HN 0.218 nan 8.380 nan 0.000 0.511 210 P HA -0.108 nan 4.420 nan 0.000 0.221 210 P C 0.600 177.812 177.300 -0.147 0.000 1.145 210 P CA 1.071 64.068 63.100 -0.172 0.000 0.795 210 P CB 0.558 32.187 31.700 -0.119 0.000 0.775 211 E N -0.068 120.023 120.200 -0.182 0.000 2.268 211 E HA -0.126 4.225 4.350 0.001 0.000 0.195 211 E C 0.800 177.423 176.600 0.040 0.000 0.995 211 E CA 0.964 57.330 56.400 -0.057 0.000 0.836 211 E CB -0.395 29.314 29.700 0.015 0.000 0.763 211 E HN 0.697 nan 8.360 nan 0.000 0.491 212 H N -1.826 117.236 119.070 -0.013 0.000 2.803 212 H HA 0.274 4.830 4.556 0.001 0.000 0.219 212 H C -2.769 172.573 175.328 0.023 0.000 1.379 212 H CA -1.553 54.499 56.048 0.007 0.000 1.415 212 H CB -0.252 29.518 29.762 0.012 0.000 1.943 212 H HN -0.107 nan 8.280 nan 0.000 0.569 213 P HA 0.126 nan 4.420 nan 0.000 0.272 213 P C -0.088 177.246 177.300 0.057 0.000 1.240 213 P CA 0.471 63.531 63.100 -0.066 0.000 0.791 213 P CB 1.494 33.136 31.700 -0.097 0.000 0.978 214 H N -2.580 116.485 119.070 -0.009 0.000 2.981 214 H HA 0.477 5.034 4.556 0.001 0.000 0.327 214 H C -1.679 173.647 175.328 -0.004 0.000 1.342 214 H CA -1.049 55.002 56.048 0.005 0.000 1.123 214 H CB 0.658 30.431 29.762 0.018 0.000 1.851 214 H HN 0.096 nan 8.280 nan 0.000 0.531 215 V N 2.306 122.304 119.914 0.140 0.000 2.435 215 V HA 0.447 4.568 4.120 0.001 0.000 0.290 215 V C 0.300 176.505 176.094 0.185 0.000 1.030 215 V CA -0.757 61.586 62.300 0.072 0.000 0.881 215 V CB 1.345 33.202 31.823 0.055 0.000 0.983 215 V HN 0.817 nan 8.190 nan 0.000 0.445 216 R N 2.850 123.428 120.500 0.130 0.000 2.750 216 R HA 0.750 5.090 4.340 0.001 0.000 0.281 216 R C 0.269 176.631 176.300 0.103 0.000 0.972 216 R CA -0.196 56.001 56.100 0.161 0.000 0.912 216 R CB 1.898 32.328 30.300 0.216 0.000 1.187 216 R HN 1.121 nan 8.270 nan 0.000 0.464 217 G N 1.691 110.557 108.800 0.110 0.000 2.291 217 G HA2 -0.289 3.672 3.960 0.001 0.000 0.271 217 G HA3 -0.289 3.672 3.960 0.001 0.000 0.271 217 G C 0.068 175.016 174.900 0.079 0.000 1.099 217 G CA 0.277 45.438 45.100 0.101 0.000 0.919 217 G HN 1.075 nan 8.290 nan 0.000 0.496 218 T N -2.107 112.495 114.554 0.080 0.000 2.754 218 T HA 0.756 5.107 4.350 0.001 0.000 0.286 218 T C 0.595 175.340 174.700 0.075 0.000 0.997 218 T CA 0.386 62.526 62.100 0.068 0.000 0.982 218 T CB 2.048 70.957 68.868 0.068 0.000 1.027 218 T HN 1.866 nan 8.240 nan 0.000 0.529 219 A N 1.105 123.962 122.820 0.062 0.000 2.303 219 A HA 0.614 4.935 4.320 0.001 0.000 0.320 219 A C -0.276 177.350 177.584 0.070 0.000 1.192 219 A CA -0.893 51.178 52.037 0.057 0.000 0.821 219 A CB 0.794 19.812 19.000 0.030 0.000 1.188 219 A HN 0.831 nan 8.150 nan 0.000 0.492 220 Q N 1.817 121.677 119.800 0.099 0.000 2.375 220 Q HA 0.349 4.690 4.340 0.001 0.000 0.271 220 Q C -0.719 175.337 176.000 0.092 0.000 1.074 220 Q CA -1.141 54.735 55.803 0.122 0.000 0.808 220 Q CB 1.978 30.839 28.738 0.206 0.000 1.327 220 Q HN 0.787 nan 8.270 nan 0.000 0.441 221 N N 1.287 120.035 118.700 0.080 0.000 2.364 221 N HA 0.173 4.914 4.740 0.001 0.000 0.264 221 N C -1.837 173.726 175.510 0.089 0.000 1.263 221 N CA -1.513 51.570 53.050 0.055 0.000 0.959 221 N CB 0.036 38.549 38.487 0.043 0.000 1.204 221 N HN 0.301 nan 8.380 nan 0.000 0.550 222 P HA -0.078 nan 4.420 nan 0.000 0.225 222 P C 0.399 177.773 177.300 0.122 0.000 1.148 222 P CA 0.925 64.082 63.100 0.095 0.000 0.779 222 P CB 0.124 31.857 31.700 0.056 0.000 0.780 223 D N 0.205 120.660 120.400 0.093 0.000 2.178 223 D HA -0.160 4.481 4.640 0.001 0.000 0.201 223 D C 1.638 177.993 176.300 0.092 0.000 0.980 223 D CA 1.299 55.346 54.000 0.079 0.000 0.842 223 D CB -0.943 39.890 40.800 0.055 0.000 0.948 223 D HN 0.351 nan 8.370 nan 0.000 0.472 224 I N -5.025 115.616 120.570 0.119 0.000 4.439 224 I HA 0.283 4.454 4.170 0.001 0.000 0.331 224 I C 1.786 177.993 176.117 0.151 0.000 1.345 224 I CA -0.702 60.664 61.300 0.110 0.000 1.193 224 I CB -0.059 37.987 38.000 0.077 0.000 1.221 224 I HN -0.208 nan 8.210 nan 0.000 0.429 225 Y N 2.142 122.497 120.300 0.091 0.000 2.081 225 Y HA -0.273 4.278 4.550 0.001 0.000 0.280 225 Y C 2.288 178.290 175.900 0.170 0.000 1.163 225 Y CA 2.564 60.722 58.100 0.097 0.000 1.135 225 Y CB -0.492 38.005 38.460 0.063 0.000 0.970 225 Y HN 0.261 nan 8.280 nan 0.000 0.498 226 F N 0.485 120.470 119.950 0.058 0.000 2.065 226 F HA -0.404 4.124 4.527 0.001 0.000 0.298 226 F C 2.279 178.025 175.800 -0.090 0.000 1.112 226 F CA 1.601 59.589 58.000 -0.020 0.000 1.212 226 F CB -0.135 38.903 39.000 0.064 0.000 0.975 226 F HN 0.191 nan 8.300 nan 0.000 0.476 227 Q N 0.252 120.102 119.800 0.082 0.000 2.061 227 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 227 Q C 2.342 178.331 176.000 -0.019 0.000 0.984 227 Q CA 1.761 57.543 55.803 -0.036 0.000 0.846 227 Q CB -1.085 27.630 28.738 -0.039 0.000 0.902 227 Q HN 0.543 nan 8.270 nan 0.000 0.421 228 G N 0.151 108.925 108.800 -0.043 0.000 2.448 228 G HA2 -0.314 3.647 3.960 0.001 0.000 0.219 228 G HA3 -0.314 3.647 3.960 0.001 0.000 0.219 228 G C 1.538 176.364 174.900 -0.123 0.000 1.127 228 G CA 0.849 45.901 45.100 -0.081 0.000 0.766 228 G HN 0.180 nan 8.290 nan 0.000 0.552 229 R N 0.233 120.622 120.500 -0.185 0.000 2.161 229 R HA 0.097 4.438 4.340 0.001 0.000 0.213 229 R C 2.082 178.373 176.300 -0.016 0.000 1.055 229 R CA 0.805 56.805 56.100 -0.166 0.000 0.996 229 R CB -0.047 30.084 30.300 -0.282 0.000 0.901 229 R HN 0.176 nan 8.270 nan 0.000 0.456 230 E N -0.141 120.085 120.200 0.044 0.000 2.442 230 E HA 0.055 4.406 4.350 0.001 0.000 0.195 230 E C 1.502 178.132 176.600 0.049 0.000 1.030 230 E CA 0.708 57.143 56.400 0.058 0.000 0.869 230 E CB 0.350 30.081 29.700 0.052 0.000 0.857 230 E HN 0.402 nan 8.360 nan 0.000 0.505 231 A N 1.244 124.087 122.820 0.040 0.000 2.070 231 A HA -0.057 4.264 4.320 0.001 0.000 0.220 231 A C 2.220 179.888 177.584 0.141 0.000 1.159 231 A CA 1.514 53.591 52.037 0.066 0.000 0.656 231 A CB -0.208 18.818 19.000 0.042 0.000 0.800 231 A HN 0.204 nan 8.150 nan 0.000 0.453 232 A N -0.281 122.635 122.820 0.161 0.000 2.238 232 A HA 0.029 4.349 4.320 0.001 0.000 0.208 232 A C 1.579 179.401 177.584 0.396 0.000 1.177 232 A CA 0.696 52.913 52.037 0.299 0.000 0.804 232 A CB -0.456 18.701 19.000 0.263 0.000 0.823 232 A HN 0.499 nan 8.150 nan 0.000 0.482 233 N N 1.176 120.018 118.700 0.237 0.000 2.060 233 N HA -0.160 4.581 4.740 0.001 0.000 0.195 233 N C -0.923 174.698 175.510 0.186 0.000 1.028 233 N CA 1.912 55.081 53.050 0.198 0.000 0.861 233 N CB -1.700 36.846 38.487 0.099 0.000 1.029 233 N HN 0.320 nan 8.380 nan 0.000 0.428 234 P HA -0.116 nan 4.420 nan 0.000 0.217 234 P C 1.054 178.258 177.300 -0.161 0.000 1.148 234 P CA 1.136 64.201 63.100 -0.059 0.000 0.828 234 P CB -0.124 31.484 31.700 -0.154 0.000 0.783 235 Y N -2.844 117.482 120.300 0.044 0.000 2.184 235 Y HA -0.138 4.413 4.550 0.001 0.000 0.290 235 Y C 2.295 178.130 175.900 -0.108 0.000 1.129 235 Y CA 1.232 59.301 58.100 -0.052 0.000 1.144 235 Y CB -1.227 37.163 38.460 -0.116 0.000 0.995 235 Y HN -0.060 nan 8.280 nan 0.000 0.513 236 Y N -0.420 119.959 120.300 0.131 0.000 2.352 236 Y HA -0.180 4.370 4.550 0.001 0.000 0.292 236 Y C 2.127 178.048 175.900 0.035 0.000 1.136 236 Y CA 1.048 59.184 58.100 0.059 0.000 1.227 236 Y CB -0.569 37.913 38.460 0.037 0.000 0.991 236 Y HN 0.094 nan 8.280 nan 0.000 0.545 237 L N -0.449 120.862 121.223 0.145 0.000 2.201 237 L HA -0.183 4.158 4.340 0.001 0.000 0.212 237 L C 2.106 178.999 176.870 0.038 0.000 1.105 237 L CA 1.109 55.996 54.840 0.078 0.000 0.775 237 L CB -0.259 41.827 42.059 0.045 0.000 0.913 237 L HN 0.061 nan 8.230 nan 0.000 0.440 238 K N -0.496 119.908 120.400 0.005 0.000 2.361 238 K HA 0.046 4.367 4.320 0.001 0.000 0.196 238 K C 2.046 178.663 176.600 0.029 0.000 1.039 238 K CA 0.477 56.761 56.287 -0.005 0.000 1.001 238 K CB 0.025 32.493 32.500 -0.052 0.000 0.795 238 K HN 0.122 nan 8.250 nan 0.000 0.495 239 V N 2.140 122.076 119.914 0.036 0.000 2.252 239 V HA -0.226 3.895 4.120 0.001 0.000 0.249 239 V C -0.845 175.313 176.094 0.107 0.000 1.056 239 V CA 2.049 64.393 62.300 0.072 0.000 1.022 239 V CB -1.336 30.495 31.823 0.014 0.000 0.641 239 V HN 0.170 nan 8.190 nan 0.000 0.445 240 P HA -0.144 nan 4.420 nan 0.000 0.215 240 P C 1.696 179.040 177.300 0.074 0.000 1.157 240 P CA 1.980 65.127 63.100 0.079 0.000 0.874 240 P CB -0.376 31.366 31.700 0.070 0.000 0.790 241 G N -0.617 108.217 108.800 0.056 0.000 2.432 241 G HA2 -0.215 3.746 3.960 0.001 0.000 0.219 241 G HA3 -0.215 3.746 3.960 0.001 0.000 0.219 241 G C 1.521 176.441 174.900 0.034 0.000 1.135 241 G CA 0.475 45.597 45.100 0.036 0.000 0.767 241 G HN 0.240 nan 8.290 nan 0.000 0.550 242 I N 0.293 120.902 120.570 0.065 0.000 2.353 242 I HA -0.114 4.057 4.170 0.001 0.000 0.248 242 I C 2.693 178.910 176.117 0.166 0.000 1.119 242 I CA 0.356 61.715 61.300 0.099 0.000 1.417 242 I CB -0.119 37.967 38.000 0.143 0.000 1.078 242 I HN 0.019 nan 8.210 nan 0.000 0.421 243 V N 1.079 121.092 119.914 0.165 0.000 2.358 243 V HA -0.263 3.858 4.120 0.001 0.000 0.246 243 V C 2.744 178.910 176.094 0.121 0.000 1.047 243 V CA 1.906 64.305 62.300 0.165 0.000 1.035 243 V CB -0.990 30.945 31.823 0.186 0.000 0.658 243 V HN 0.470 nan 8.190 nan 0.000 0.452 244 A N 0.143 123.013 122.820 0.083 0.000 1.883 244 A HA -0.285 4.036 4.320 0.001 0.000 0.217 244 A C 2.204 179.803 177.584 0.026 0.000 1.186 244 A CA 2.203 54.276 52.037 0.060 0.000 0.624 244 A CB -0.569 18.460 19.000 0.048 0.000 0.822 244 A HN 0.552 nan 8.150 nan 0.000 0.444 245 E N -0.772 119.408 120.200 -0.034 0.000 2.085 245 E HA -0.199 4.152 4.350 0.001 0.000 0.194 245 E C 1.644 178.117 176.600 -0.211 0.000 0.994 245 E CA 1.764 58.071 56.400 -0.155 0.000 0.801 245 E CB -0.548 28.985 29.700 -0.279 0.000 0.743 245 E HN 0.732 nan 8.360 nan 0.000 0.453 246 Y N -0.435 119.861 120.300 -0.006 0.000 2.373 246 Y HA -0.058 4.493 4.550 0.001 0.000 0.293 246 Y C 2.274 178.181 175.900 0.012 0.000 1.129 246 Y CA 1.095 59.184 58.100 -0.017 0.000 1.226 246 Y CB -0.078 38.343 38.460 -0.063 0.000 1.000 246 Y HN 0.070 nan 8.280 nan 0.000 0.549 247 M N -0.564 119.129 119.600 0.155 0.000 2.117 247 M HA -0.281 4.199 4.480 0.001 0.000 0.262 247 M C 2.007 178.392 176.300 0.142 0.000 1.065 247 M CA 1.774 57.178 55.300 0.174 0.000 1.114 247 M CB -0.344 32.367 32.600 0.185 0.000 1.361 247 M HN 0.293 nan 8.290 nan 0.000 0.408 248 Q N 0.199 120.044 119.800 0.074 0.000 2.079 248 Q HA -0.139 4.202 4.340 0.001 0.000 0.200 248 Q C 2.019 178.038 176.000 0.031 0.000 0.974 248 Q CA 1.290 57.115 55.803 0.037 0.000 0.840 248 Q CB -0.068 28.670 28.738 -0.000 0.000 0.898 248 Q HN 0.468 nan 8.270 nan 0.000 0.430 249 K N 0.049 120.458 120.400 0.015 0.000 2.026 249 K HA -0.120 4.201 4.320 0.001 0.000 0.208 249 K C 2.108 178.756 176.600 0.080 0.000 1.048 249 K CA 1.402 57.706 56.287 0.029 0.000 0.929 249 K CB -0.130 32.379 32.500 0.015 0.000 0.713 249 K HN 0.026 nan 8.250 nan 0.000 0.439 250 V N 1.448 121.436 119.914 0.123 0.000 2.407 250 V HA -0.252 3.869 4.120 0.001 0.000 0.248 250 V C 2.359 178.523 176.094 0.116 0.000 1.055 250 V CA 1.998 64.376 62.300 0.129 0.000 1.049 250 V CB -0.715 31.198 31.823 0.150 0.000 0.662 250 V HN 0.358 nan 8.190 nan 0.000 0.455 251 A N 0.899 123.783 122.820 0.107 0.000 1.933 251 A HA -0.206 4.115 4.320 0.001 0.000 0.218 251 A C 2.478 180.088 177.584 0.042 0.000 1.175 251 A CA 2.145 54.222 52.037 0.067 0.000 0.628 251 A CB -0.756 18.268 19.000 0.039 0.000 0.814 251 A HN 0.703 nan 8.150 nan 0.000 0.444 252 S N -0.837 114.886 115.700 0.039 0.000 2.547 252 S HA 0.076 4.547 4.470 0.001 0.000 0.235 252 S C 1.579 176.199 174.600 0.033 0.000 0.980 252 S CA 1.154 59.370 58.200 0.027 0.000 0.941 252 S CB -0.339 62.872 63.200 0.019 0.000 0.763 252 S HN 0.464 nan 8.310 nan 0.000 0.532 253 L N 0.977 122.229 121.223 0.049 0.000 2.362 253 L HA 0.096 4.437 4.340 0.001 0.000 0.204 253 L C 2.893 179.796 176.870 0.055 0.000 1.060 253 L CA 1.363 56.235 54.840 0.053 0.000 0.827 253 L CB -0.395 41.705 42.059 0.068 0.000 1.027 253 L HN 0.563 nan 8.230 nan 0.000 0.474 254 T N -4.508 110.086 114.554 0.068 0.000 3.037 254 T HA 0.177 4.527 4.350 0.001 0.000 0.252 254 T C 1.475 176.198 174.700 0.039 0.000 1.073 254 T CA 0.707 62.845 62.100 0.064 0.000 1.091 254 T CB 0.736 69.666 68.868 0.105 0.000 0.935 254 T HN 0.384 nan 8.240 nan 0.000 0.488 255 G N 1.771 110.587 108.800 0.026 0.000 2.176 255 G HA2 -0.237 3.724 3.960 0.001 0.000 0.253 255 G HA3 -0.237 3.724 3.960 0.001 0.000 0.253 255 G C 0.103 174.982 174.900 -0.034 0.000 0.979 255 G CA -0.098 45.002 45.100 0.001 0.000 0.641 255 G HN 0.682 nan 8.290 nan 0.000 0.530 256 R N 0.912 121.383 120.500 -0.048 0.000 2.265 256 R HA 0.566 4.907 4.340 0.001 0.000 0.328 256 R C -0.254 175.838 176.300 -0.346 0.000 0.969 256 R CA -0.236 55.754 56.100 -0.184 0.000 0.832 256 R CB 1.386 31.615 30.300 -0.119 0.000 1.139 256 R HN 0.168 nan 8.270 nan 0.000 0.457 257 S N 2.208 117.672 115.700 -0.394 0.000 2.616 257 S HA 0.524 4.995 4.470 0.001 0.000 0.277 257 S C -0.957 173.310 174.600 -0.555 0.000 1.234 257 S CA -0.356 57.649 58.200 -0.325 0.000 1.028 257 S CB 0.648 63.769 63.200 -0.133 0.000 0.988 257 S HN 0.362 nan 8.310 nan 0.000 0.522 258 Y N 0.238 120.563 120.300 0.042 0.000 2.588 258 Y HA 0.525 5.076 4.550 0.001 0.000 0.343 258 Y C 0.083 176.009 175.900 0.043 0.000 1.065 258 Y CA -1.077 57.048 58.100 0.043 0.000 1.038 258 Y CB 1.708 40.190 38.460 0.036 0.000 1.297 258 Y HN 0.429 nan 8.280 nan 0.000 0.467 259 K N 0.750 121.280 120.400 0.216 0.000 2.378 259 K HA 0.497 4.818 4.320 0.001 0.000 0.244 259 K C 0.337 176.996 176.600 0.098 0.000 1.039 259 K CA -0.882 55.492 56.287 0.146 0.000 0.863 259 K CB 1.863 34.450 32.500 0.144 0.000 1.326 259 K HN 0.534 nan 8.250 nan 0.000 0.460 260 L N 0.395 121.651 121.223 0.056 0.000 2.127 260 L HA -0.038 4.303 4.340 0.001 0.000 0.211 260 L C 0.026 176.663 176.870 -0.388 0.000 1.089 260 L CA 1.510 56.271 54.840 -0.132 0.000 0.757 260 L CB -0.203 41.818 42.059 -0.064 0.000 0.899 260 L HN 0.395 nan 8.230 nan 0.000 0.434 261 F N -1.288 118.698 119.950 0.059 0.000 2.574 261 F HA 0.385 4.913 4.527 0.001 0.000 0.313 261 F C -0.413 175.440 175.800 0.088 0.000 1.130 261 F CA -1.077 56.969 58.000 0.075 0.000 0.936 261 F CB 1.663 40.685 39.000 0.037 0.000 1.219 261 F HN -0.227 nan 8.300 nan 0.000 0.445 262 D N 1.717 122.284 120.400 0.278 0.000 2.350 262 D HA 0.194 4.835 4.640 0.001 0.000 0.245 262 D C -1.529 174.911 176.300 0.233 0.000 1.036 262 D CA -0.362 53.770 54.000 0.221 0.000 0.848 262 D CB 2.832 43.738 40.800 0.177 0.000 1.307 262 D HN 0.526 nan 8.370 nan 0.000 0.469 263 Y N 1.838 122.190 120.300 0.086 0.000 2.360 263 Y HA 0.442 4.993 4.550 0.001 0.000 0.337 263 Y C -0.670 175.271 175.900 0.069 0.000 1.039 263 Y CA -0.598 57.543 58.100 0.069 0.000 1.109 263 Y CB 1.118 39.596 38.460 0.030 0.000 1.201 263 Y HN 0.165 nan 8.280 nan 0.000 0.458 264 V N 3.070 122.496 119.914 -0.813 0.000 2.876 264 V HA 1.069 5.190 4.120 0.001 0.000 0.312 264 V C -0.149 175.438 176.094 -0.844 0.000 1.085 264 V CA -0.090 61.880 62.300 -0.551 0.000 0.945 264 V CB 1.056 32.755 31.823 -0.207 0.000 1.017 264 V HN 1.436 nan 8.190 nan 0.000 0.428 265 G N 1.506 110.087 108.800 -0.365 0.000 2.331 265 G HA2 0.508 4.469 3.960 0.001 0.000 0.479 265 G HA3 0.508 4.469 3.960 0.001 0.000 0.479 265 G C -0.114 174.843 174.900 0.095 0.000 1.262 265 G CA -0.120 44.885 45.100 -0.158 0.000 1.029 265 G HN 2.218 nan 8.290 nan 0.000 0.487 266 A N 1.171 124.072 122.820 0.135 0.000 2.492 266 A HA 0.604 4.925 4.320 0.001 0.000 0.254 266 A C -0.185 177.535 177.584 0.226 0.000 1.091 266 A CA 0.089 52.213 52.037 0.144 0.000 0.768 266 A CB 0.169 19.218 19.000 0.083 0.000 1.028 266 A HN 0.611 nan 8.150 nan 0.000 0.498 267 P HA -0.128 nan 4.420 nan 0.000 0.225 267 P C 0.102 177.427 177.300 0.041 0.000 1.148 267 P CA 1.395 64.558 63.100 0.104 0.000 0.779 267 P CB 0.117 31.859 31.700 0.070 0.000 0.780 268 D N -1.450 118.985 120.400 0.058 0.000 2.538 268 D HA 0.228 4.868 4.640 0.001 0.000 0.231 268 D C 0.362 176.695 176.300 0.055 0.000 1.229 268 D CA -0.808 53.215 54.000 0.038 0.000 0.828 268 D CB -0.566 40.251 40.800 0.029 0.000 1.035 268 D HN -0.041 nan 8.370 nan 0.000 0.495 269 A N 0.742 123.619 122.820 0.094 0.000 2.561 269 A HA 0.047 4.368 4.320 0.001 0.000 0.234 269 A C 0.955 178.598 177.584 0.098 0.000 1.055 269 A CA 0.208 52.314 52.037 0.114 0.000 0.756 269 A CB 0.284 19.411 19.000 0.212 0.000 0.986 269 A HN 0.270 nan 8.150 nan 0.000 0.505 270 E N 0.992 121.246 120.200 0.090 0.000 2.389 270 E HA 0.036 4.387 4.350 0.001 0.000 0.199 270 E C 0.004 176.674 176.600 0.117 0.000 0.978 270 E CA 0.302 56.754 56.400 0.086 0.000 0.912 270 E CB 0.359 30.096 29.700 0.062 0.000 0.907 270 E HN 0.665 nan 8.360 nan 0.000 0.494 271 R N 1.332 121.924 120.500 0.153 0.000 2.337 271 R HA 0.422 4.763 4.340 0.001 0.000 0.319 271 R C -1.216 175.278 176.300 0.323 0.000 0.954 271 R CA -0.353 55.879 56.100 0.221 0.000 0.840 271 R CB 2.215 32.667 30.300 0.253 0.000 1.164 271 R HN -0.142 nan 8.270 nan 0.000 0.472 272 V N 5.120 125.211 119.914 0.294 0.000 2.628 272 V HA 0.499 4.620 4.120 0.001 0.000 0.306 272 V C 0.078 176.337 176.094 0.275 0.000 1.045 272 V CA -0.782 61.721 62.300 0.339 0.000 0.905 272 V CB 2.264 34.281 31.823 0.323 0.000 0.997 272 V HN 0.627 nan 8.190 nan 0.000 0.436 273 I N 3.571 124.298 120.570 0.261 0.000 2.460 273 I HA 0.527 4.698 4.170 0.001 0.000 0.298 273 I C -0.742 175.510 176.117 0.225 0.000 0.989 273 I CA -0.822 60.568 61.300 0.150 0.000 1.173 273 I CB 2.130 40.130 38.000 -0.001 0.000 1.338 273 I HN 0.264 nan 8.210 nan 0.000 0.456 274 V N 4.701 124.758 119.914 0.239 0.000 2.409 274 V HA 0.543 4.664 4.120 0.001 0.000 0.291 274 V C -0.226 176.023 176.094 0.257 0.000 1.020 274 V CA -0.207 62.287 62.300 0.323 0.000 0.848 274 V CB 1.534 33.621 31.823 0.439 0.000 0.990 274 V HN 0.807 nan 8.190 nan 0.000 0.430 275 S N 4.647 120.503 115.700 0.260 0.000 2.638 275 S HA 0.856 5.327 4.470 0.001 0.000 0.274 275 S C -1.249 173.514 174.600 0.272 0.000 1.157 275 S CA -0.646 57.682 58.200 0.214 0.000 0.826 275 S CB 1.980 65.221 63.200 0.068 0.000 1.139 275 S HN 0.730 nan 8.310 nan 0.000 0.474 276 M N 1.973 121.758 119.600 0.307 0.000 2.446 276 M HA 0.625 5.106 4.480 0.001 0.000 0.294 276 M C -0.112 176.413 176.300 0.375 0.000 1.158 276 M CA 0.755 56.239 55.300 0.306 0.000 0.899 276 M CB 1.481 34.257 32.600 0.294 0.000 1.687 276 M HN 1.249 nan 8.290 nan 0.000 0.455 277 G N 1.635 110.580 108.800 0.242 0.000 2.627 277 G HA2 -0.245 3.716 3.960 0.001 0.000 0.214 277 G HA3 -0.245 3.716 3.960 0.001 0.000 0.214 277 G C 0.295 175.345 174.900 0.249 0.000 1.331 277 G CA 0.205 45.470 45.100 0.274 0.000 0.891 277 G HN 1.351 nan 8.290 nan 0.000 0.539 278 S N -0.458 115.400 115.700 0.264 0.000 2.440 278 S HA -0.150 4.321 4.470 0.001 0.000 0.240 278 S C 2.643 177.391 174.600 0.247 0.000 1.014 278 S CA 2.650 60.990 58.200 0.233 0.000 0.980 278 S CB -0.737 62.602 63.200 0.233 0.000 0.775 278 S HN 2.337 nan 8.310 nan 0.000 0.499 279 S N 1.009 116.874 115.700 0.276 0.000 2.400 279 S HA -0.155 4.315 4.470 0.001 0.000 0.232 279 S C 1.976 176.720 174.600 0.241 0.000 1.025 279 S CA 1.046 59.415 58.200 0.281 0.000 0.993 279 S CB -1.589 61.615 63.200 0.007 0.000 0.808 279 S HN 0.695 nan 8.310 nan 0.000 0.478 280 C N 1.998 121.415 119.300 0.195 0.000 2.411 280 C HA -0.024 4.437 4.460 0.001 0.000 0.279 280 C C 2.978 178.066 174.990 0.164 0.000 1.288 280 C CA 0.790 59.911 59.018 0.171 0.000 1.764 280 C CB -1.237 26.599 27.740 0.161 0.000 1.974 280 C HN 0.590 nan 8.230 nan 0.000 0.498 281 E N 0.576 120.876 120.200 0.167 0.000 2.031 281 E HA -0.144 4.207 4.350 0.001 0.000 0.193 281 E C 2.234 178.931 176.600 0.161 0.000 0.994 281 E CA 1.741 58.226 56.400 0.143 0.000 0.800 281 E CB -0.900 28.879 29.700 0.131 0.000 0.752 281 E HN 0.595 nan 8.360 nan 0.000 0.447 282 T N 1.892 116.573 114.554 0.212 0.000 2.720 282 T HA -0.107 4.244 4.350 0.001 0.000 0.268 282 T C 2.157 176.950 174.700 0.155 0.000 1.037 282 T CA 1.039 63.270 62.100 0.218 0.000 1.144 282 T CB -0.249 68.761 68.868 0.236 0.000 0.864 282 T HN 0.096 nan 8.240 nan 0.000 0.444 283 I N 0.862 121.547 120.570 0.191 0.000 2.179 283 I HA -0.168 4.002 4.170 0.001 0.000 0.242 283 I C 2.727 178.949 176.117 0.174 0.000 1.088 283 I CA 1.422 62.842 61.300 0.201 0.000 1.357 283 I CB -0.348 37.787 38.000 0.225 0.000 1.051 283 I HN 0.310 nan 8.210 nan 0.000 0.409 284 E N 1.045 121.325 120.200 0.133 0.000 2.110 284 E HA -0.298 4.053 4.350 0.001 0.000 0.193 284 E C 2.127 178.778 176.600 0.085 0.000 0.988 284 E CA 1.368 57.820 56.400 0.086 0.000 0.804 284 E CB -0.019 29.718 29.700 0.061 0.000 0.745 284 E HN 0.470 nan 8.360 nan 0.000 0.458 285 E N -0.146 120.116 120.200 0.103 0.000 2.077 285 E HA -0.176 4.175 4.350 0.001 0.000 0.193 285 E C 2.042 178.714 176.600 0.120 0.000 0.989 285 E CA 1.480 57.941 56.400 0.102 0.000 0.800 285 E CB 0.153 29.930 29.700 0.129 0.000 0.746 285 E HN 0.197 nan 8.360 nan 0.000 0.452 286 V N 1.232 121.226 119.914 0.134 0.000 2.427 286 V HA -0.237 3.884 4.120 0.001 0.000 0.248 286 V C 2.381 178.575 176.094 0.167 0.000 1.051 286 V CA 1.428 63.836 62.300 0.181 0.000 1.048 286 V CB -0.394 31.544 31.823 0.192 0.000 0.666 286 V HN 0.323 nan 8.190 nan 0.000 0.456 287 I N 0.651 121.286 120.570 0.107 0.000 2.163 287 I HA -0.251 3.920 4.170 0.001 0.000 0.243 287 I C 2.435 178.568 176.117 0.026 0.000 1.085 287 I CA 1.568 62.878 61.300 0.017 0.000 1.347 287 I CB -0.541 37.462 38.000 0.004 0.000 1.044 287 I HN 0.356 nan 8.210 nan 0.000 0.408 288 N N -0.102 118.628 118.700 0.052 0.000 2.104 288 N HA -0.258 4.483 4.740 0.001 0.000 0.190 288 N C 1.825 177.368 175.510 0.054 0.000 1.024 288 N CA 1.347 54.421 53.050 0.040 0.000 0.853 288 N CB -0.700 37.813 38.487 0.043 0.000 1.008 288 N HN 0.496 nan 8.380 nan 0.000 0.424 289 H N 0.263 119.340 119.070 0.011 0.000 2.326 289 H HA -0.014 4.543 4.556 0.001 0.000 0.301 289 H C 1.617 176.955 175.328 0.017 0.000 1.081 289 H CA 1.037 57.090 56.048 0.009 0.000 1.334 289 H CB 0.074 29.842 29.762 0.009 0.000 1.385 289 H HN 0.019 nan 8.280 nan 0.000 0.504 290 L N 0.934 122.210 121.223 0.088 0.000 2.109 290 L HA 0.009 4.349 4.340 0.001 0.000 0.207 290 L C 2.987 179.818 176.870 -0.066 0.000 1.086 290 L CA 1.524 56.373 54.840 0.014 0.000 0.760 290 L CB -1.237 40.841 42.059 0.032 0.000 0.910 290 L HN 0.305 nan 8.230 nan 0.000 0.437 291 A N -0.626 122.157 122.820 -0.062 0.000 1.972 291 A HA -0.136 4.184 4.320 0.001 0.000 0.219 291 A C 2.460 180.009 177.584 -0.058 0.000 1.169 291 A CA 1.554 53.557 52.037 -0.057 0.000 0.635 291 A CB -0.753 18.223 19.000 -0.040 0.000 0.810 291 A HN 0.372 nan 8.150 nan 0.000 0.446 292 A N -0.286 122.485 122.820 -0.080 0.000 2.019 292 A HA -0.116 4.204 4.320 0.001 0.000 0.219 292 A C 1.897 179.426 177.584 -0.093 0.000 1.164 292 A CA 1.590 53.574 52.037 -0.088 0.000 0.644 292 A CB -0.298 18.629 19.000 -0.121 0.000 0.805 292 A HN 0.522 nan 8.150 nan 0.000 0.449 293 K N -1.400 118.934 120.400 -0.111 0.000 2.437 293 K HA 0.275 4.596 4.320 0.001 0.000 0.198 293 K C 0.903 177.474 176.600 -0.048 0.000 1.024 293 K CA 0.421 56.657 56.287 -0.084 0.000 1.148 293 K CB 0.078 32.521 32.500 -0.094 0.000 0.860 293 K HN 0.606 nan 8.250 nan 0.000 0.515 294 G N 1.608 110.381 108.800 -0.044 0.000 2.175 294 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 294 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 294 G C -0.315 174.568 174.900 -0.028 0.000 0.982 294 G CA -0.306 44.777 45.100 -0.028 0.000 0.641 294 G HN 0.363 nan 8.290 nan 0.000 0.527 295 E N 0.923 121.098 120.200 -0.042 0.000 2.316 295 E HA 0.255 4.606 4.350 0.001 0.000 0.275 295 E C 0.023 176.590 176.600 -0.055 0.000 1.029 295 E CA -0.219 56.150 56.400 -0.052 0.000 0.871 295 E CB 0.533 30.184 29.700 -0.081 0.000 1.022 295 E HN 0.033 nan 8.360 nan 0.000 0.418 296 K N 4.381 124.762 120.400 -0.032 0.000 2.180 296 K HA 0.272 4.593 4.320 0.001 0.000 0.250 296 K C 0.097 176.692 176.600 -0.008 0.000 1.135 296 K CA -0.020 56.264 56.287 -0.005 0.000 1.037 296 K CB -0.725 31.787 32.500 0.020 0.000 1.624 296 K HN 0.470 nan 8.250 nan 0.000 0.382 297 I N -2.602 117.936 120.570 -0.052 0.000 2.934 297 I HA 0.838 5.009 4.170 0.001 0.000 0.306 297 I C -0.081 176.059 176.117 0.039 0.000 1.110 297 I CA -1.160 60.094 61.300 -0.076 0.000 1.019 297 I CB 2.642 40.318 38.000 -0.540 0.000 1.227 297 I HN 0.265 nan 8.210 nan 0.000 0.434 298 G N 2.830 111.745 108.800 0.191 0.000 2.708 298 G HA2 0.707 4.668 3.960 0.001 0.000 0.289 298 G HA3 0.707 4.668 3.960 0.001 0.000 0.289 298 G C -2.191 172.832 174.900 0.205 0.000 1.416 298 G CA -0.769 44.435 45.100 0.173 0.000 0.829 298 G HN 0.755 nan 8.290 nan 0.000 0.480 299 L N -0.217 120.969 121.223 -0.063 0.000 2.493 299 L HA 0.717 5.058 4.340 0.001 0.000 0.265 299 L C -1.353 175.559 176.870 0.069 0.000 0.954 299 L CA -0.650 54.239 54.840 0.081 0.000 0.844 299 L CB 1.822 43.927 42.059 0.076 0.000 1.302 299 L HN 0.477 nan 8.230 nan 0.000 0.405 300 I N 4.708 125.423 120.570 0.241 0.000 2.330 300 I HA 0.360 4.531 4.170 0.001 0.000 0.289 300 I C -0.228 176.066 176.117 0.294 0.000 1.001 300 I CA -0.639 60.833 61.300 0.288 0.000 1.193 300 I CB 1.207 39.372 38.000 0.276 0.000 1.345 300 I HN 0.565 nan 8.210 nan 0.000 0.461 301 K N 5.676 126.232 120.400 0.261 0.000 2.248 301 K HA 0.418 4.738 4.320 0.001 0.000 0.281 301 K C -0.757 176.013 176.600 0.283 0.000 1.054 301 K CA -0.579 55.854 56.287 0.243 0.000 0.903 301 K CB 1.882 34.490 32.500 0.181 0.000 1.077 301 K HN 0.308 nan 8.250 nan 0.000 0.474 302 V N 4.923 125.006 119.914 0.282 0.000 2.408 302 V HA 0.113 4.234 4.120 0.001 0.000 0.267 302 V C 0.850 176.949 176.094 0.008 0.000 1.047 302 V CA -0.172 62.242 62.300 0.191 0.000 0.937 302 V CB 0.998 33.046 31.823 0.374 0.000 0.999 302 V HN 0.710 nan 8.190 nan 0.000 0.472 303 R N 3.403 123.797 120.500 -0.177 0.000 2.056 303 R HA 0.305 4.646 4.340 0.001 0.000 0.215 303 R C 0.310 176.526 176.300 -0.140 0.000 1.205 303 R CA 0.174 56.191 56.100 -0.138 0.000 1.020 303 R CB -0.163 30.069 30.300 -0.113 0.000 0.911 303 R HN 0.540 nan 8.270 nan 0.000 0.451 304 L N 1.512 122.574 121.223 -0.268 0.000 2.270 304 L HA 0.199 4.540 4.340 0.001 0.000 0.286 304 L C 0.172 176.963 176.870 -0.132 0.000 1.059 304 L CA -0.160 54.593 54.840 -0.146 0.000 0.839 304 L CB 0.725 42.696 42.059 -0.146 0.000 1.221 304 L HN 0.220 nan 8.230 nan 0.000 0.431 305 Y N 4.932 125.244 120.300 0.020 0.000 2.314 305 Y HA 0.274 4.825 4.550 0.001 0.000 0.294 305 Y C 0.433 176.482 175.900 0.249 0.000 1.119 305 Y CA 0.687 58.910 58.100 0.206 0.000 1.179 305 Y CB 0.350 38.975 38.460 0.276 0.000 1.025 305 Y HN 0.416 nan 8.280 nan 0.000 0.541 306 R N 0.535 121.038 120.500 0.005 0.000 2.538 306 R HA 0.338 4.679 4.340 0.001 0.000 0.292 306 R C -3.031 173.236 176.300 -0.054 0.000 1.008 306 R CA -2.343 53.720 56.100 -0.061 0.000 0.896 306 R CB 1.483 31.766 30.300 -0.029 0.000 1.187 306 R HN -0.012 nan 8.270 nan 0.000 0.440 307 P HA 0.115 nan 4.420 nan 0.000 0.271 307 P C -0.627 176.709 177.300 0.060 0.000 1.218 307 P CA -0.214 62.913 63.100 0.046 0.000 0.780 307 P CB 0.364 32.124 31.700 0.099 0.000 0.901 308 F N 3.847 123.753 119.950 -0.073 0.000 2.413 308 F HA 0.248 4.776 4.527 0.001 0.000 0.359 308 F C -0.392 175.466 175.800 0.097 0.000 1.122 308 F CA -0.217 57.785 58.000 0.003 0.000 1.160 308 F CB 0.391 39.324 39.000 -0.111 0.000 1.146 308 F HN -0.041 nan 8.300 nan 0.000 0.514 309 V N 6.970 126.872 119.914 -0.019 0.000 2.318 309 V HA 0.082 4.203 4.120 0.001 0.000 0.271 309 V C 0.868 176.932 176.094 -0.050 0.000 1.030 309 V CA 0.217 62.554 62.300 0.062 0.000 0.844 309 V CB 0.585 32.479 31.823 0.118 0.000 1.015 309 V HN 0.933 nan 8.190 nan 0.000 0.460 310 S N 3.141 118.855 115.700 0.023 0.000 2.382 310 S HA -0.198 4.273 4.470 0.001 0.000 0.228 310 S C 1.501 176.128 174.600 0.045 0.000 1.027 310 S CA 1.324 59.515 58.200 -0.014 0.000 0.991 310 S CB -0.159 63.137 63.200 0.161 0.000 0.823 310 S HN 0.708 nan 8.310 nan 0.000 0.469 311 E N 2.491 122.761 120.200 0.117 0.000 2.085 311 E HA 0.031 4.382 4.350 0.001 0.000 0.194 311 E C 2.322 178.966 176.600 0.074 0.000 0.994 311 E CA 1.446 57.930 56.400 0.139 0.000 0.801 311 E CB -0.834 28.925 29.700 0.099 0.000 0.743 311 E HN 0.724 nan 8.360 nan 0.000 0.453 312 A N -0.171 122.678 122.820 0.048 0.000 2.014 312 A HA -0.071 4.250 4.320 0.001 0.000 0.218 312 A C 1.986 179.470 177.584 -0.167 0.000 1.163 312 A CA 0.774 52.862 52.037 0.086 0.000 0.652 312 A CB -0.603 18.582 19.000 0.308 0.000 0.808 312 A HN 0.316 nan 8.150 nan 0.000 0.449 313 F N -0.288 119.188 119.950 -0.790 0.000 2.113 313 F HA -0.074 4.454 4.527 0.001 0.000 0.297 313 F C 1.772 177.167 175.800 -0.675 0.000 1.103 313 F CA 1.498 58.721 58.000 -1.295 0.000 1.248 313 F CB -0.409 37.697 39.000 -1.491 0.000 0.999 313 F HN 0.212 nan 8.300 nan 0.000 0.475 314 F N 0.337 120.095 119.950 -0.320 0.000 2.365 314 F HA -0.039 4.489 4.527 0.001 0.000 0.300 314 F C 2.443 178.088 175.800 -0.259 0.000 1.090 314 F CA 0.645 58.463 58.000 -0.304 0.000 1.408 314 F CB -0.737 38.175 39.000 -0.146 0.000 1.060 314 F HN 0.090 nan 8.300 nan 0.000 0.534 315 A N -0.319 122.469 122.820 -0.054 0.000 2.168 315 A HA 0.170 4.491 4.320 0.001 0.000 0.215 315 A C 2.067 179.599 177.584 -0.087 0.000 1.152 315 A CA 1.304 53.321 52.037 -0.033 0.000 0.716 315 A CB -0.695 18.312 19.000 0.012 0.000 0.794 315 A HN 0.276 nan 8.150 nan 0.000 0.465 316 A N -1.376 121.327 122.820 -0.196 0.000 2.343 316 A HA 0.463 4.784 4.320 0.001 0.000 0.223 316 A C 0.671 178.059 177.584 -0.326 0.000 1.214 316 A CA -0.202 51.738 52.037 -0.162 0.000 0.900 316 A CB 0.051 19.021 19.000 -0.049 0.000 0.942 316 A HN 0.376 nan 8.150 nan 0.000 0.507 317 L N 1.972 122.961 121.223 -0.389 0.000 2.290 317 L HA 0.343 4.684 4.340 0.001 0.000 0.284 317 L C -2.672 174.040 176.870 -0.263 0.000 1.078 317 L CA -1.684 52.959 54.840 -0.329 0.000 0.815 317 L CB 1.396 43.309 42.059 -0.244 0.000 1.162 317 L HN 0.044 nan 8.230 nan 0.000 0.435 318 P HA 0.103 nan 4.420 nan 0.000 0.271 318 P C 0.111 177.368 177.300 -0.071 0.000 1.216 318 P CA -0.139 62.811 63.100 -0.250 0.000 0.776 318 P CB 1.079 32.626 31.700 -0.256 0.000 0.881 319 A N 2.524 125.317 122.820 -0.046 0.000 2.019 319 A HA -0.144 4.177 4.320 0.001 0.000 0.219 319 A C 1.933 179.532 177.584 0.024 0.000 1.164 319 A CA 1.903 53.941 52.037 0.003 0.000 0.644 319 A CB -1.279 17.717 19.000 -0.007 0.000 0.805 319 A HN 0.585 nan 8.150 nan 0.000 0.449 320 S N -0.101 115.606 115.700 0.012 0.000 2.522 320 S HA 0.373 4.843 4.470 0.001 0.000 0.227 320 S C 1.044 175.675 174.600 0.052 0.000 0.986 320 S CA 0.303 58.520 58.200 0.029 0.000 0.929 320 S CB -0.690 62.524 63.200 0.023 0.000 0.769 320 S HN 0.926 nan 8.310 nan 0.000 0.529 321 A N 1.942 124.802 122.820 0.066 0.000 2.537 321 A HA 0.303 4.624 4.320 0.001 0.000 0.260 321 A C 1.155 178.795 177.584 0.094 0.000 1.082 321 A CA -0.241 51.856 52.037 0.100 0.000 0.765 321 A CB 0.209 19.289 19.000 0.134 0.000 1.019 321 A HN 0.243 nan 8.150 nan 0.000 0.507 322 K N 1.479 121.927 120.400 0.080 0.000 2.370 322 K HA 0.235 4.556 4.320 0.001 0.000 0.194 322 K C -0.254 176.373 176.600 0.046 0.000 1.070 322 K CA 0.650 56.971 56.287 0.056 0.000 0.998 322 K CB 0.635 33.163 32.500 0.047 0.000 0.911 322 K HN 0.484 nan 8.250 nan 0.000 0.533 323 V N 2.190 122.145 119.914 0.068 0.000 2.686 323 V HA 0.475 4.596 4.120 0.001 0.000 0.306 323 V C -0.664 175.490 176.094 0.099 0.000 1.065 323 V CA -0.824 61.513 62.300 0.062 0.000 0.894 323 V CB 2.434 34.297 31.823 0.066 0.000 1.004 323 V HN -0.034 nan 8.190 nan 0.000 0.424 324 I N 2.804 123.423 120.570 0.082 0.000 2.466 324 I HA 0.469 4.640 4.170 0.001 0.000 0.289 324 I C -0.221 175.976 176.117 0.134 0.000 1.026 324 I CA -0.250 61.134 61.300 0.140 0.000 1.078 324 I CB 2.414 40.517 38.000 0.171 0.000 1.249 324 I HN 0.508 nan 8.210 nan 0.000 0.429 325 T N 5.549 120.189 114.554 0.144 0.000 2.771 325 T HA 0.420 4.770 4.350 0.001 0.000 0.281 325 T C -0.191 174.597 174.700 0.146 0.000 0.982 325 T CA -0.419 61.761 62.100 0.134 0.000 0.978 325 T CB 1.595 70.541 68.868 0.131 0.000 0.930 325 T HN 0.162 nan 8.240 nan 0.000 0.447 326 V N 5.679 125.684 119.914 0.152 0.000 2.350 326 V HA 0.375 4.495 4.120 0.001 0.000 0.276 326 V C -0.018 176.128 176.094 0.086 0.000 1.028 326 V CA -0.739 61.671 62.300 0.184 0.000 0.860 326 V CB 0.904 32.898 31.823 0.286 0.000 0.990 326 V HN 0.726 nan 8.190 nan 0.000 0.453 327 L N 4.933 126.208 121.223 0.087 0.000 2.264 327 L HA 0.533 4.874 4.340 0.001 0.000 0.289 327 L C -0.139 176.880 176.870 0.249 0.000 1.044 327 L CA -0.197 54.675 54.840 0.054 0.000 0.807 327 L CB 1.038 42.975 42.059 -0.204 0.000 1.192 327 L HN 0.562 nan 8.230 nan 0.000 0.425 328 D N 3.177 123.711 120.400 0.223 0.000 2.217 328 D HA 0.175 4.816 4.640 0.001 0.000 0.243 328 D C -0.114 176.239 176.300 0.087 0.000 1.054 328 D CA -0.480 53.658 54.000 0.230 0.000 0.838 328 D CB 2.328 43.171 40.800 0.072 0.000 1.162 328 D HN 0.373 nan 8.370 nan 0.000 0.472 329 R N 1.934 122.431 120.500 -0.006 0.000 4.306 329 R HA 0.189 4.530 4.340 0.001 0.000 0.266 329 R C -0.389 175.796 176.300 -0.193 0.000 1.624 329 R CA 0.079 55.852 56.100 -0.544 0.000 1.487 329 R CB 0.066 29.750 30.300 -1.028 0.000 1.441 329 R HN 0.360 nan 8.270 nan 0.000 0.750 330 T N -0.678 113.839 114.554 -0.062 0.000 2.677 330 T HA 0.259 4.610 4.350 0.001 0.000 0.305 330 T C -2.047 172.624 174.700 -0.047 0.000 1.569 330 T CA -0.759 61.345 62.100 0.008 0.000 0.984 330 T CB 1.384 70.363 68.868 0.185 0.000 1.629 330 T HN 0.246 nan 8.240 nan 0.000 0.494 331 K N 1.791 122.168 120.400 -0.037 0.000 2.615 331 K HA 0.385 4.706 4.320 0.001 0.000 0.249 331 K C -1.414 175.158 176.600 -0.048 0.000 0.977 331 K CA -0.419 55.836 56.287 -0.053 0.000 0.833 331 K CB 1.298 33.773 32.500 -0.041 0.000 1.208 331 K HN 0.613 nan 8.250 nan 0.000 0.443 332 E N 5.175 125.334 120.200 -0.069 0.000 2.173 332 E HA 0.230 4.581 4.350 0.001 0.000 0.249 332 E C -2.473 174.094 176.600 -0.055 0.000 0.923 332 E CA -2.011 54.353 56.400 -0.060 0.000 0.754 332 E CB 1.276 30.928 29.700 -0.081 0.000 1.177 332 E HN 0.383 nan 8.360 nan 0.000 0.430 333 P HA -0.059 nan 4.420 nan 0.000 0.262 333 P C 0.928 178.202 177.300 -0.042 0.000 1.182 333 P CA 0.838 63.915 63.100 -0.039 0.000 0.761 333 P CB 0.525 32.213 31.700 -0.021 0.000 0.795 334 G N 1.721 110.490 108.800 -0.052 0.000 2.234 334 G HA2 -0.218 3.743 3.960 0.001 0.000 0.260 334 G HA3 -0.218 3.743 3.960 0.001 0.000 0.260 334 G C 0.492 175.357 174.900 -0.059 0.000 0.987 334 G CA 0.063 45.133 45.100 -0.051 0.000 0.625 334 G HN 0.883 nan 8.290 nan 0.000 0.532 335 A N 0.927 123.707 122.820 -0.065 0.000 2.386 335 A HA 0.677 4.997 4.320 0.001 0.000 0.248 335 A C 0.174 177.711 177.584 -0.078 0.000 1.082 335 A CA -0.138 51.863 52.037 -0.060 0.000 0.789 335 A CB 0.462 19.427 19.000 -0.059 0.000 1.025 335 A HN 0.220 nan 8.150 nan 0.000 0.490 336 P HA 0.130 nan 4.420 nan 0.000 0.233 336 P C 0.522 177.818 177.300 -0.005 0.000 1.167 336 P CA 1.390 64.466 63.100 -0.041 0.000 0.770 336 P CB 0.183 31.894 31.700 0.017 0.000 0.837 337 G N -0.769 108.054 108.800 0.040 0.000 2.387 337 G HA2 0.195 4.156 3.960 0.001 0.000 0.294 337 G HA3 0.195 4.156 3.960 0.001 0.000 0.294 337 G C -1.867 173.081 174.900 0.080 0.000 1.509 337 G CA -0.627 44.562 45.100 0.150 0.000 0.806 337 G HN -0.211 nan 8.290 nan 0.000 0.546 338 D N 0.721 121.145 120.400 0.040 0.000 2.358 338 D HA 0.281 4.921 4.640 0.001 0.000 0.244 338 D C -1.216 175.029 176.300 -0.092 0.000 1.163 338 D CA -1.176 52.775 54.000 -0.082 0.000 0.945 338 D CB 1.531 42.257 40.800 -0.123 0.000 1.152 338 D HN -0.008 nan 8.370 nan 0.000 0.451 339 P HA -0.187 nan 4.420 nan 0.000 0.214 339 P C 1.577 178.850 177.300 -0.045 0.000 1.169 339 P CA 0.809 63.731 63.100 -0.297 0.000 0.908 339 P CB 0.160 31.382 31.700 -0.797 0.000 0.791 340 L N -1.874 119.367 121.223 0.031 0.000 2.046 340 L HA -0.170 4.171 4.340 0.001 0.000 0.208 340 L C 2.438 179.388 176.870 0.133 0.000 1.077 340 L CA 1.714 56.700 54.840 0.243 0.000 0.747 340 L CB -1.685 40.582 42.059 0.346 0.000 0.896 340 L HN -0.061 nan 8.230 nan 0.000 0.432 341 Y N -0.852 119.450 120.300 0.003 0.000 2.128 341 Y HA -0.264 4.287 4.550 0.001 0.000 0.284 341 Y C 2.214 178.085 175.900 -0.047 0.000 1.154 341 Y CA 1.773 59.867 58.100 -0.010 0.000 1.149 341 Y CB -0.395 38.057 38.460 -0.013 0.000 0.976 341 Y HN 0.161 nan 8.280 nan 0.000 0.505 342 L N 0.730 121.869 121.223 -0.140 0.000 2.083 342 L HA -0.210 4.131 4.340 0.001 0.000 0.209 342 L C 2.026 178.704 176.870 -0.321 0.000 1.083 342 L CA 1.850 56.529 54.840 -0.268 0.000 0.752 342 L CB -1.293 40.693 42.059 -0.123 0.000 0.899 342 L HN 0.268 nan 8.230 nan 0.000 0.433 343 D N -1.076 119.110 120.400 -0.356 0.000 2.117 343 D HA -0.123 4.518 4.640 0.001 0.000 0.198 343 D C 2.400 178.302 176.300 -0.663 0.000 0.982 343 D CA 0.988 54.583 54.000 -0.675 0.000 0.828 343 D CB -0.126 39.984 40.800 -1.149 0.000 0.967 343 D HN 0.131 nan 8.370 nan 0.000 0.464 344 V N 0.602 120.246 119.914 -0.449 0.000 2.307 344 V HA -0.255 3.866 4.120 0.001 0.000 0.245 344 V C 2.707 178.733 176.094 -0.114 0.000 1.045 344 V CA 1.201 63.295 62.300 -0.343 0.000 1.024 344 V CB -0.513 31.228 31.823 -0.137 0.000 0.651 344 V HN 0.284 nan 8.190 nan 0.000 0.449 345 C N 0.688 119.862 119.300 -0.211 0.000 2.413 345 C HA -0.178 4.283 4.460 0.001 0.000 0.276 345 C C 3.326 178.299 174.990 -0.029 0.000 1.236 345 C CA 1.674 60.611 59.018 -0.135 0.000 1.735 345 C CB -1.157 26.346 27.740 -0.395 0.000 2.031 345 C HN 0.783 nan 8.230 nan 0.000 0.474 346 S N 1.694 117.315 115.700 -0.132 0.000 2.383 346 S HA -0.142 4.328 4.470 0.001 0.000 0.229 346 S C 1.940 176.533 174.600 -0.011 0.000 1.030 346 S CA 1.623 59.775 58.200 -0.080 0.000 1.002 346 S CB -0.535 62.584 63.200 -0.136 0.000 0.829 346 S HN 0.637 nan 8.310 nan 0.000 0.467 347 A N 1.104 123.890 122.820 -0.056 0.000 1.877 347 A HA 0.103 4.424 4.320 0.001 0.000 0.216 347 A C 1.942 179.630 177.584 0.173 0.000 1.186 347 A CA 1.469 53.502 52.037 -0.005 0.000 0.620 347 A CB -1.154 17.623 19.000 -0.372 0.000 0.822 347 A HN 0.576 nan 8.150 nan 0.000 0.443 348 F N -0.489 119.609 119.950 0.247 0.000 2.234 348 F HA -0.106 4.422 4.527 0.001 0.000 0.299 348 F C 2.397 178.270 175.800 0.122 0.000 1.087 348 F CA 1.282 59.446 58.000 0.274 0.000 1.340 348 F CB -0.322 38.789 39.000 0.186 0.000 1.031 348 F HN 0.030 nan 8.300 nan 0.000 0.500 349 V N -0.240 119.810 119.914 0.226 0.000 2.358 349 V HA -0.272 3.848 4.120 0.001 0.000 0.246 349 V C 2.288 178.431 176.094 0.082 0.000 1.047 349 V CA 2.068 64.441 62.300 0.122 0.000 1.035 349 V CB -0.439 31.423 31.823 0.066 0.000 0.658 349 V HN 0.306 nan 8.190 nan 0.000 0.452 350 E N -0.099 120.146 120.200 0.075 0.000 2.150 350 E HA -0.232 4.119 4.350 0.001 0.000 0.193 350 E C 2.415 179.032 176.600 0.029 0.000 0.985 350 E CA 0.824 57.255 56.400 0.050 0.000 0.814 350 E CB -0.048 29.686 29.700 0.056 0.000 0.752 350 E HN 0.430 nan 8.360 nan 0.000 0.466 351 R N -0.431 120.079 120.500 0.017 0.000 2.096 351 R HA -0.128 4.213 4.340 0.001 0.000 0.235 351 R C 1.468 177.732 176.300 -0.061 0.000 1.127 351 R CA 1.389 57.429 56.100 -0.100 0.000 0.968 351 R CB -0.267 29.841 30.300 -0.319 0.000 0.861 351 R HN 0.322 nan 8.270 nan 0.000 0.440 352 G N -0.185 108.615 108.800 -0.001 0.000 2.168 352 G HA2 -0.323 3.638 3.960 0.001 0.000 0.263 352 G HA3 -0.323 3.638 3.960 0.001 0.000 0.263 352 G C -0.045 174.856 174.900 0.003 0.000 0.977 352 G CA 1.003 46.108 45.100 0.009 0.000 0.659 352 G HN 0.531 nan 8.290 nan 0.000 0.533 353 E N -0.050 120.146 120.200 -0.007 0.000 3.319 353 E HA 0.690 5.041 4.350 0.001 0.000 0.355 353 E C 1.250 177.878 176.600 0.046 0.000 0.486 353 E CA -0.459 55.939 56.400 -0.004 0.000 2.305 353 E CB 0.199 29.867 29.700 -0.054 0.000 2.119 353 E HN 0.677 nan 8.360 nan 0.000 0.464 354 A N 1.212 124.064 122.820 0.054 0.000 2.540 354 A HA 0.128 4.449 4.320 0.001 0.000 0.239 354 A C -0.202 177.475 177.584 0.155 0.000 1.061 354 A CA 0.587 52.675 52.037 0.086 0.000 0.758 354 A CB -0.030 19.019 19.000 0.083 0.000 0.991 354 A HN 0.304 nan 8.150 nan 0.000 0.502 355 M N 4.934 124.592 119.600 0.097 0.000 2.016 355 M HA 0.264 4.744 4.480 0.001 0.000 0.315 355 M C -2.203 174.077 176.300 -0.034 0.000 0.930 355 M CA -1.747 53.587 55.300 0.056 0.000 0.899 355 M CB 0.586 33.211 32.600 0.041 0.000 1.401 355 M HN 0.599 nan 8.290 nan 0.000 0.386 356 P HA 0.240 nan 4.420 nan 0.000 0.277 356 P C -0.476 176.740 177.300 -0.139 0.000 1.276 356 P CA -0.489 62.559 63.100 -0.088 0.000 0.788 356 P CB 0.957 32.620 31.700 -0.062 0.000 1.114 357 K N 0.586 120.943 120.400 -0.070 0.000 2.368 357 K HA 0.228 4.549 4.320 0.001 0.000 0.282 357 K C -0.387 176.171 176.600 -0.071 0.000 1.035 357 K CA 0.104 56.360 56.287 -0.052 0.000 0.973 357 K CB -0.374 32.121 32.500 -0.009 0.000 0.957 357 K HN 0.252 nan 8.250 nan 0.000 0.474 358 I N 6.161 126.695 120.570 -0.059 0.000 2.362 358 I HA 0.266 4.436 4.170 0.001 0.000 0.289 358 I C -0.816 175.355 176.117 0.091 0.000 0.994 358 I CA -0.995 60.303 61.300 -0.004 0.000 1.158 358 I CB 0.840 38.820 38.000 -0.032 0.000 1.315 358 I HN 0.432 nan 8.210 nan 0.000 0.451 359 L N 5.231 126.504 121.223 0.082 0.000 2.334 359 L HA 0.717 5.058 4.340 0.001 0.000 0.276 359 L C 0.311 177.115 176.870 -0.110 0.000 1.014 359 L CA -0.704 54.133 54.840 -0.004 0.000 0.815 359 L CB 1.697 43.810 42.059 0.091 0.000 1.268 359 L HN 0.683 nan 8.230 nan 0.000 0.428 360 A N 1.630 124.153 122.820 -0.494 0.000 2.304 360 A HA 0.861 5.182 4.320 0.001 0.000 0.323 360 A C 0.011 177.102 177.584 -0.823 0.000 1.195 360 A CA -0.105 51.525 52.037 -0.678 0.000 0.826 360 A CB 0.969 19.219 19.000 -1.249 0.000 1.184 360 A HN 0.751 nan 8.150 nan 0.000 0.496 361 G N 0.997 109.326 108.800 -0.784 0.000 2.591 361 G HA2 0.583 4.544 3.960 0.001 0.000 0.306 361 G HA3 0.583 4.544 3.960 0.001 0.000 0.306 361 G C -0.769 173.845 174.900 -0.478 0.000 1.334 361 G CA -0.704 43.606 45.100 -1.318 0.000 0.981 361 G HN 0.872 nan 8.290 nan 0.000 0.491 362 R N 0.697 120.991 120.500 -0.344 0.000 2.445 362 R HA 0.699 5.040 4.340 0.001 0.000 0.308 362 R C -1.179 175.189 176.300 0.112 0.000 0.961 362 R CA -0.745 55.316 56.100 -0.065 0.000 0.862 362 R CB 1.218 31.460 30.300 -0.096 0.000 1.144 362 R HN 0.717 nan 8.270 nan 0.000 0.447 363 Y N 0.457 120.686 120.300 -0.118 0.000 2.689 363 Y HA 0.552 5.102 4.550 0.001 0.000 0.333 363 Y C 0.508 176.344 175.900 -0.106 0.000 1.190 363 Y CA -1.131 56.916 58.100 -0.088 0.000 1.063 363 Y CB 0.558 38.868 38.460 -0.249 0.000 1.294 363 Y HN 0.714 nan 8.280 nan 0.000 0.466 364 G N 0.820 109.507 108.800 -0.189 0.000 2.233 364 G HA2 -0.272 3.688 3.960 0.001 0.000 0.270 364 G HA3 -0.272 3.688 3.960 0.001 0.000 0.270 364 G C -0.205 174.549 174.900 -0.245 0.000 1.011 364 G CA 0.433 45.381 45.100 -0.253 0.000 0.762 364 G HN 0.758 nan 8.290 nan 0.000 0.511 365 L N -0.207 120.908 121.223 -0.181 0.000 2.490 365 L HA 0.373 4.713 4.340 0.001 0.000 0.274 365 L C 1.739 178.585 176.870 -0.039 0.000 1.201 365 L CA 0.922 55.694 54.840 -0.112 0.000 0.869 365 L CB 0.278 42.294 42.059 -0.070 0.000 1.123 365 L HN 0.894 nan 8.230 nan 0.000 0.484 366 G N 2.524 111.331 108.800 0.011 0.000 2.338 366 G HA2 -0.311 3.650 3.960 0.001 0.000 0.296 366 G HA3 -0.311 3.650 3.960 0.001 0.000 0.296 366 G C 0.640 175.582 174.900 0.070 0.000 1.040 366 G CA 0.446 45.604 45.100 0.096 0.000 1.004 366 G HN 0.786 nan 8.290 nan 0.000 0.509 367 S N -2.335 113.414 115.700 0.083 0.000 3.561 367 S HA -0.243 4.228 4.470 0.001 0.000 0.318 367 S C 1.112 175.697 174.600 -0.024 0.000 1.181 367 S CA 1.913 60.151 58.200 0.063 0.000 0.916 367 S CB -0.618 62.644 63.200 0.104 0.000 0.966 367 S HN 1.538 nan 8.310 nan 0.000 0.550 368 K N 2.485 122.872 120.400 -0.021 0.000 2.489 368 K HA 0.099 4.420 4.320 0.001 0.000 0.278 368 K C 0.246 176.885 176.600 0.065 0.000 1.000 368 K CA 0.274 56.559 56.287 -0.003 0.000 1.012 368 K CB 0.422 32.932 32.500 0.017 0.000 0.903 368 K HN 0.128 nan 8.250 nan 0.000 0.485 369 E N 2.744 122.974 120.200 0.050 0.000 2.481 369 E HA -0.086 4.265 4.350 0.001 0.000 0.263 369 E C -0.808 175.921 176.600 0.215 0.000 0.992 369 E CA 0.627 57.080 56.400 0.087 0.000 0.938 369 E CB 0.169 29.887 29.700 0.030 0.000 0.933 369 E HN 0.536 nan 8.360 nan 0.000 0.453 370 F N 2.702 122.697 119.950 0.075 0.000 2.691 370 F HA 0.136 4.664 4.527 0.001 0.000 0.371 370 F C 0.009 175.808 175.800 -0.002 0.000 1.159 370 F CA -0.433 57.619 58.000 0.086 0.000 1.174 370 F CB 0.461 39.580 39.000 0.198 0.000 1.419 370 F HN 0.288 nan 8.300 nan 0.000 0.514 371 S N 3.770 119.204 115.700 -0.443 0.000 2.713 371 S HA 0.549 5.020 4.470 0.001 0.000 0.283 371 S C -2.155 172.034 174.600 -0.685 0.000 1.161 371 S CA -1.336 56.516 58.200 -0.580 0.000 0.999 371 S CB 1.683 64.657 63.200 -0.376 0.000 1.039 371 S HN 0.320 nan 8.310 nan 0.000 0.548 372 P HA -0.082 nan 4.420 nan 0.000 0.216 372 P C 1.600 178.791 177.300 -0.182 0.000 1.153 372 P CA 2.086 64.997 63.100 -0.314 0.000 0.858 372 P CB -0.282 31.299 31.700 -0.198 0.000 0.789 373 A N -1.081 121.669 122.820 -0.116 0.000 1.940 373 A HA -0.223 4.098 4.320 0.001 0.000 0.219 373 A C 2.145 179.540 177.584 -0.314 0.000 1.176 373 A CA 1.993 53.921 52.037 -0.183 0.000 0.631 373 A CB -1.440 17.521 19.000 -0.064 0.000 0.814 373 A HN 0.149 nan 8.150 nan 0.000 0.446 374 M N -0.909 118.481 119.600 -0.350 0.000 2.254 374 M HA -0.080 4.401 4.480 0.001 0.000 0.265 374 M C 1.964 178.039 176.300 -0.375 0.000 1.066 374 M CA 0.975 56.072 55.300 -0.338 0.000 1.123 374 M CB -0.239 32.137 32.600 -0.373 0.000 1.388 374 M HN 0.242 nan 8.290 nan 0.000 0.425 375 V N 0.314 119.927 119.914 -0.501 0.000 2.427 375 V HA -0.220 3.901 4.120 0.001 0.000 0.248 375 V C 2.354 178.355 176.094 -0.156 0.000 1.051 375 V CA 1.598 63.728 62.300 -0.283 0.000 1.048 375 V CB -0.694 31.023 31.823 -0.176 0.000 0.666 375 V HN 0.356 nan 8.190 nan 0.000 0.456 376 K N 1.075 121.294 120.400 -0.301 0.000 2.063 376 K HA -0.149 4.171 4.320 0.001 0.000 0.208 376 K C 2.302 178.758 176.600 -0.240 0.000 1.048 376 K CA 2.061 58.117 56.287 -0.386 0.000 0.928 376 K CB -0.746 31.133 32.500 -1.035 0.000 0.713 376 K HN 0.413 nan 8.250 nan 0.000 0.442 377 S N -0.279 115.266 115.700 -0.257 0.000 2.368 377 S HA -0.105 4.366 4.470 0.001 0.000 0.225 377 S C 1.932 176.396 174.600 -0.226 0.000 1.030 377 S CA 1.297 59.367 58.200 -0.217 0.000 0.999 377 S CB -0.311 62.768 63.200 -0.201 0.000 0.844 377 S HN 0.136 nan 8.310 nan 0.000 0.459 378 V N 0.402 120.188 119.914 -0.212 0.000 2.295 378 V HA -0.204 3.917 4.120 0.001 0.000 0.246 378 V C 1.853 177.815 176.094 -0.220 0.000 1.049 378 V CA 1.683 63.840 62.300 -0.239 0.000 1.024 378 V CB -0.815 30.919 31.823 -0.148 0.000 0.648 378 V HN 0.524 nan 8.190 nan 0.000 0.447 379 Y N 0.301 120.556 120.300 -0.075 0.000 2.200 379 Y HA -0.198 4.353 4.550 0.001 0.000 0.290 379 Y C 2.565 178.422 175.900 -0.072 0.000 1.137 379 Y CA 1.447 59.518 58.100 -0.049 0.000 1.163 379 Y CB -0.187 38.245 38.460 -0.046 0.000 0.988 379 Y HN 0.291 nan 8.280 nan 0.000 0.518 380 D N -0.341 120.077 120.400 0.032 0.000 2.178 380 D HA -0.176 4.465 4.640 0.001 0.000 0.201 380 D C 1.740 178.006 176.300 -0.058 0.000 0.980 380 D CA 1.142 55.127 54.000 -0.026 0.000 0.842 380 D CB -0.509 40.244 40.800 -0.078 0.000 0.948 380 D HN 0.307 nan 8.370 nan 0.000 0.472 381 N N 0.250 118.877 118.700 -0.121 0.000 2.166 381 N HA -0.106 4.635 4.740 0.001 0.000 0.186 381 N C 1.662 177.128 175.510 -0.074 0.000 1.019 381 N CA 0.903 53.859 53.050 -0.156 0.000 0.856 381 N CB -0.141 38.142 38.487 -0.339 0.000 0.993 381 N HN 0.081 nan 8.380 nan 0.000 0.426 382 M N -0.584 119.000 119.600 -0.027 0.000 2.460 382 M HA -0.037 4.443 4.480 0.001 0.000 0.263 382 M C 1.403 177.723 176.300 0.033 0.000 1.071 382 M CA 1.064 56.380 55.300 0.026 0.000 1.096 382 M CB -0.028 32.618 32.600 0.077 0.000 1.408 382 M HN 0.343 nan 8.290 nan 0.000 0.463 383 S N -1.638 114.076 115.700 0.023 0.000 2.512 383 S HA 0.252 4.723 4.470 0.001 0.000 0.216 383 S C 1.133 175.735 174.600 0.002 0.000 1.006 383 S CA 0.015 58.227 58.200 0.021 0.000 0.915 383 S CB 0.253 63.468 63.200 0.027 0.000 0.824 383 S HN 0.377 nan 8.310 nan 0.000 0.497 384 G N 1.351 110.143 108.800 -0.014 0.000 3.374 384 G HA2 0.566 4.527 3.960 0.001 0.000 0.200 384 G HA3 0.566 4.527 3.960 0.001 0.000 0.200 384 G C 1.334 176.220 174.900 -0.023 0.000 1.801 384 G CA 0.016 45.103 45.100 -0.022 0.000 0.842 384 G HN 0.504 nan 8.290 nan 0.000 0.688 385 A N -0.472 122.327 122.820 -0.036 0.000 2.024 385 A HA 0.073 4.394 4.320 0.001 0.000 0.220 385 A C 1.319 178.890 177.584 -0.023 0.000 1.164 385 A CA 1.903 53.922 52.037 -0.030 0.000 0.643 385 A CB -0.658 18.318 19.000 -0.040 0.000 0.806 385 A HN 0.614 nan 8.150 nan 0.000 0.451 386 K N -1.014 119.368 120.400 -0.031 0.000 3.148 386 K HA -0.187 4.134 4.320 0.001 0.000 0.267 386 K C -0.113 176.489 176.600 0.005 0.000 0.996 386 K CA 1.007 57.288 56.287 -0.010 0.000 0.737 386 K CB -1.420 31.083 32.500 0.004 0.000 1.308 386 K HN 0.711 nan 8.250 nan 0.000 0.470 387 K N 1.463 121.857 120.400 -0.009 0.000 2.368 387 K HA 0.072 4.393 4.320 0.001 0.000 0.282 387 K C 0.169 176.865 176.600 0.160 0.000 1.035 387 K CA -0.230 56.084 56.287 0.045 0.000 0.973 387 K CB 0.534 33.040 32.500 0.010 0.000 0.957 387 K HN 0.123 nan 8.250 nan 0.000 0.474 388 N N 1.503 120.254 118.700 0.086 0.000 2.477 388 N HA 0.173 4.913 4.740 0.001 0.000 0.284 388 N C -1.057 174.410 175.510 -0.072 0.000 1.182 388 N CA -0.133 52.876 53.050 -0.069 0.000 0.949 388 N CB 0.564 38.902 38.487 -0.249 0.000 1.204 388 N HN 0.651 nan 8.380 nan 0.000 0.526 389 H N -0.103 118.863 119.070 -0.173 0.000 2.626 389 H HA -0.216 4.341 4.556 0.001 0.000 0.317 389 H C -0.421 174.824 175.328 -0.139 0.000 1.140 389 H CA 0.812 56.710 56.048 -0.250 0.000 1.134 389 H CB -2.172 27.489 29.762 -0.169 0.000 1.486 389 H HN 0.394 nan 8.280 nan 0.000 0.417 390 F N -0.533 119.410 119.950 -0.011 0.000 2.410 390 F HA 0.706 5.234 4.527 0.001 0.000 0.324 390 F C 0.672 176.482 175.800 0.016 0.000 1.093 390 F CA -0.564 57.438 58.000 0.003 0.000 1.028 390 F CB 0.902 39.895 39.000 -0.012 0.000 1.309 390 F HN 0.025 nan 8.300 nan 0.000 0.499 391 T N -0.527 114.228 114.554 0.334 0.000 2.908 391 T HA 0.711 5.062 4.350 0.001 0.000 0.290 391 T C -1.256 173.675 174.700 0.386 0.000 1.034 391 T CA -0.884 61.357 62.100 0.236 0.000 1.010 391 T CB 1.560 70.501 68.868 0.121 0.000 1.068 391 T HN 1.031 nan 8.240 nan 0.000 0.481 392 V N 0.826 120.943 119.914 0.338 0.000 2.733 392 V HA 0.691 4.812 4.120 0.001 0.000 0.306 392 V C 0.606 176.848 176.094 0.246 0.000 1.084 392 V CA 0.784 63.258 62.300 0.290 0.000 0.905 392 V CB 1.090 33.130 31.823 0.361 0.000 1.010 392 V HN 1.729 nan 8.190 nan 0.000 0.424 393 G N 5.227 114.121 108.800 0.157 0.000 2.211 393 G HA2 -0.110 3.851 3.960 0.001 0.000 0.201 393 G HA3 -0.110 3.851 3.960 0.001 0.000 0.201 393 G C -0.109 174.843 174.900 0.087 0.000 0.997 393 G CA 0.161 45.338 45.100 0.129 0.000 0.652 393 G HN 1.734 nan 8.290 nan 0.000 0.500 394 I N -2.873 117.748 120.570 0.085 0.000 3.174 394 I HA 0.844 5.015 4.170 0.001 0.000 0.313 394 I C -0.717 175.438 176.117 0.064 0.000 1.155 394 I CA -1.418 59.923 61.300 0.069 0.000 0.977 394 I CB 2.273 40.311 38.000 0.063 0.000 1.248 394 I HN -0.035 nan 8.210 nan 0.000 0.453 395 E N 2.502 122.740 120.200 0.063 0.000 2.063 395 E HA 0.133 4.484 4.350 0.001 0.000 0.265 395 E C -1.327 175.307 176.600 0.057 0.000 0.919 395 E CA -0.457 55.973 56.400 0.051 0.000 0.756 395 E CB 0.784 30.509 29.700 0.042 0.000 1.120 395 E HN 0.602 nan 8.360 nan 0.000 0.414 396 D N 4.267 124.699 120.400 0.053 0.000 2.494 396 D HA -0.017 4.624 4.640 0.001 0.000 0.217 396 D C 0.203 176.527 176.300 0.039 0.000 1.153 396 D CA -0.350 53.680 54.000 0.051 0.000 0.954 396 D CB 0.496 41.327 40.800 0.052 0.000 1.034 396 D HN 0.422 nan 8.370 nan 0.000 0.518 397 D N 1.975 122.396 120.400 0.036 0.000 2.328 397 D HA -0.056 4.585 4.640 0.001 0.000 0.221 397 D C 1.143 177.456 176.300 0.021 0.000 1.072 397 D CA -0.051 53.962 54.000 0.023 0.000 0.850 397 D CB 0.370 41.178 40.800 0.014 0.000 0.922 397 D HN 0.248 nan 8.370 nan 0.000 0.516 398 V N 0.480 120.411 119.914 0.027 0.000 2.690 398 V HA -0.002 4.119 4.120 0.001 0.000 0.240 398 V C 1.969 178.075 176.094 0.020 0.000 1.078 398 V CA 1.790 64.104 62.300 0.023 0.000 1.102 398 V CB 0.282 32.122 31.823 0.028 0.000 0.800 398 V HN 0.459 nan 8.190 nan 0.000 0.479 399 T N -2.502 112.066 114.554 0.023 0.000 3.200 399 T HA 0.344 4.694 4.350 0.001 0.000 0.284 399 T C 1.267 175.983 174.700 0.027 0.000 1.009 399 T CA 0.379 62.491 62.100 0.021 0.000 0.907 399 T CB 0.393 69.270 68.868 0.016 0.000 1.120 399 T HN 0.759 nan 8.240 nan 0.000 0.534 400 G N 2.520 111.338 108.800 0.029 0.000 2.412 400 G HA2 -0.292 3.669 3.960 0.001 0.000 0.297 400 G HA3 -0.292 3.669 3.960 0.001 0.000 0.297 400 G C 0.732 175.662 174.900 0.049 0.000 0.965 400 G CA 0.840 45.960 45.100 0.033 0.000 1.134 400 G HN 0.974 nan 8.290 nan 0.000 0.511 401 T N -2.953 111.638 114.554 0.062 0.000 3.069 401 T HA 0.477 4.828 4.350 0.001 0.000 0.252 401 T C 1.359 176.141 174.700 0.137 0.000 1.053 401 T CA 0.834 62.991 62.100 0.095 0.000 0.964 401 T CB 0.275 69.192 68.868 0.082 0.000 1.005 401 T HN 1.262 nan 8.240 nan 0.000 0.532 402 S N 1.354 117.114 115.700 0.100 0.000 2.632 402 S HA 0.680 5.151 4.470 0.001 0.000 0.271 402 S C -0.149 174.480 174.600 0.048 0.000 1.260 402 S CA -0.996 57.269 58.200 0.108 0.000 1.010 402 S CB 0.765 64.014 63.200 0.081 0.000 0.965 402 S HN 0.383 nan 8.310 nan 0.000 0.534 403 L N 2.386 123.615 121.223 0.010 0.000 2.357 403 L HA 0.496 4.836 4.340 0.001 0.000 0.273 403 L C -1.862 174.969 176.870 -0.065 0.000 1.080 403 L CA -2.188 52.590 54.840 -0.104 0.000 0.803 403 L CB 0.847 42.749 42.059 -0.261 0.000 1.174 403 L HN 0.565 nan 8.230 nan 0.000 0.443 404 P HA 0.179 nan 4.420 nan 0.000 0.275 404 P C -1.094 176.163 177.300 -0.072 0.000 1.228 404 P CA -0.249 62.819 63.100 -0.055 0.000 0.786 404 P CB 1.726 33.395 31.700 -0.053 0.000 0.927 405 V N 2.709 122.590 119.914 -0.055 0.000 2.483 405 V HA 0.167 4.288 4.120 0.001 0.000 0.297 405 V C -0.182 175.880 176.094 -0.053 0.000 1.027 405 V CA -0.438 61.820 62.300 -0.070 0.000 0.855 405 V CB 1.562 33.349 31.823 -0.060 0.000 0.995 405 V HN 0.548 nan 8.190 nan 0.000 0.424 406 D N 3.845 124.207 120.400 -0.062 0.000 2.411 406 D HA 0.164 4.805 4.640 0.001 0.000 0.225 406 D C 0.763 177.066 176.300 0.004 0.000 1.156 406 D CA -0.039 53.945 54.000 -0.026 0.000 0.874 406 D CB 0.636 41.421 40.800 -0.024 0.000 1.034 406 D HN 0.437 nan 8.370 nan 0.000 0.502 407 N N 2.508 121.215 118.700 0.011 0.000 2.501 407 N HA -0.011 4.730 4.740 0.001 0.000 0.195 407 N C 0.859 176.399 175.510 0.051 0.000 1.213 407 N CA 0.049 53.117 53.050 0.029 0.000 0.864 407 N CB 0.596 39.089 38.487 0.010 0.000 0.999 407 N HN 0.452 nan 8.380 nan 0.000 0.454 408 A N 0.163 123.022 122.820 0.064 0.000 2.178 408 A HA 0.061 4.382 4.320 0.001 0.000 0.211 408 A C 0.680 178.323 177.584 0.098 0.000 1.157 408 A CA -0.478 51.594 52.037 0.058 0.000 0.780 408 A CB -0.380 18.648 19.000 0.047 0.000 0.828 408 A HN 0.333 nan 8.150 nan 0.000 0.476 409 F N 1.518 121.437 119.950 -0.051 0.000 2.604 409 F HA 0.213 4.741 4.527 0.001 0.000 0.393 409 F C 1.063 176.815 175.800 -0.080 0.000 1.043 409 F CA -0.345 57.616 58.000 -0.065 0.000 1.227 409 F CB 0.399 39.341 39.000 -0.096 0.000 1.016 409 F HN 0.368 nan 8.300 nan 0.000 0.556 410 A N 5.651 128.143 122.820 -0.548 0.000 2.475 410 A HA -0.051 4.269 4.320 0.001 0.000 0.239 410 A C 0.146 177.338 177.584 -0.652 0.000 1.087 410 A CA -0.124 51.607 52.037 -0.510 0.000 0.779 410 A CB 0.022 18.791 19.000 -0.386 0.000 1.036 410 A HN 0.841 nan 8.150 nan 0.000 0.506 411 D N -0.088 120.098 120.400 -0.357 0.000 2.425 411 D HA 0.116 4.756 4.640 0.001 0.000 0.247 411 D C 1.045 177.111 176.300 -0.390 0.000 1.147 411 D CA 0.949 54.790 54.000 -0.264 0.000 0.879 411 D CB 0.763 41.503 40.800 -0.100 0.000 1.179 411 D HN 0.555 nan 8.370 nan 0.000 0.456 412 T N -0.631 113.717 114.554 -0.342 0.000 3.085 412 T HA 0.073 4.424 4.350 0.001 0.000 0.264 412 T C 0.972 175.646 174.700 -0.043 0.000 1.019 412 T CA -0.273 61.627 62.100 -0.333 0.000 0.910 412 T CB -0.098 68.555 68.868 -0.359 0.000 1.059 412 T HN 0.432 nan 8.240 nan 0.000 0.542 413 T N 1.518 116.080 114.554 0.014 0.000 2.903 413 T HA 0.379 4.730 4.350 0.001 0.000 0.314 413 T C -2.563 172.162 174.700 0.041 0.000 1.078 413 T CA -1.157 60.972 62.100 0.049 0.000 1.114 413 T CB -0.050 68.845 68.868 0.045 0.000 0.987 413 T HN 0.022 nan 8.240 nan 0.000 0.548 414 P HA 0.105 nan 4.420 nan 0.000 0.267 414 P C -0.035 177.292 177.300 0.046 0.000 1.201 414 P CA -0.434 62.689 63.100 0.038 0.000 0.775 414 P CB 0.385 32.094 31.700 0.015 0.000 0.854 415 K N 1.564 121.992 120.400 0.047 0.000 2.489 415 K HA 0.147 4.468 4.320 0.001 0.000 0.278 415 K C 1.177 177.811 176.600 0.056 0.000 1.000 415 K CA 1.063 57.379 56.287 0.048 0.000 1.012 415 K CB -0.613 31.913 32.500 0.042 0.000 0.903 415 K HN 0.776 nan 8.250 nan 0.000 0.485 416 G N 2.538 111.374 108.800 0.060 0.000 2.241 416 G HA2 -0.245 3.716 3.960 0.001 0.000 0.244 416 G HA3 -0.245 3.716 3.960 0.001 0.000 0.244 416 G C 0.126 175.079 174.900 0.088 0.000 0.998 416 G CA 0.330 45.473 45.100 0.071 0.000 0.621 416 G HN 0.675 nan 8.290 nan 0.000 0.519 417 T N 1.802 116.408 114.554 0.086 0.000 2.902 417 T HA 0.472 4.823 4.350 0.001 0.000 0.301 417 T C 0.627 175.395 174.700 0.114 0.000 1.012 417 T CA 0.482 62.644 62.100 0.103 0.000 1.151 417 T CB 1.173 70.084 68.868 0.071 0.000 0.946 417 T HN 0.362 nan 8.240 nan 0.000 0.542 418 I N 3.384 124.051 120.570 0.161 0.000 2.354 418 I HA 0.275 4.445 4.170 0.001 0.000 0.292 418 I C 0.327 176.564 176.117 0.200 0.000 0.989 418 I CA -0.650 60.757 61.300 0.178 0.000 1.188 418 I CB 1.321 39.440 38.000 0.198 0.000 1.342 418 I HN 0.485 nan 8.210 nan 0.000 0.457 419 Q N 5.661 125.560 119.800 0.164 0.000 2.333 419 Q HA 0.586 4.927 4.340 0.001 0.000 0.267 419 Q C -1.426 174.683 176.000 0.181 0.000 1.012 419 Q CA -0.733 55.155 55.803 0.142 0.000 0.824 419 Q CB 2.611 31.403 28.738 0.091 0.000 1.290 419 Q HN 0.629 nan 8.270 nan 0.000 0.449 420 C N 1.569 120.982 119.300 0.188 0.000 2.634 420 C HA 0.579 5.040 4.460 0.001 0.000 0.313 420 C C -0.445 174.549 174.990 0.007 0.000 1.198 420 C CA -0.846 58.272 59.018 0.167 0.000 1.605 420 C CB 1.641 29.552 27.740 0.285 0.000 2.196 420 C HN 0.799 nan 8.230 nan 0.000 0.486 421 Q N 0.502 120.209 119.800 -0.156 0.000 2.356 421 Q HA 0.687 5.028 4.340 0.001 0.000 0.270 421 Q C -1.794 174.022 176.000 -0.307 0.000 1.058 421 Q CA -0.264 55.413 55.803 -0.209 0.000 0.802 421 Q CB 2.298 30.963 28.738 -0.121 0.000 1.303 421 Q HN 0.649 nan 8.270 nan 0.000 0.444 422 F N 0.729 120.629 119.950 -0.083 0.000 2.507 422 F HA 0.413 4.941 4.527 0.001 0.000 0.328 422 F C -1.045 174.663 175.800 -0.154 0.000 1.136 422 F CA -0.718 57.239 58.000 -0.073 0.000 0.930 422 F CB 1.065 39.975 39.000 -0.150 0.000 1.166 422 F HN 0.436 nan 8.300 nan 0.000 0.436 423 W N 2.618 123.911 121.300 -0.013 0.000 2.308 423 W HA 0.639 5.300 4.660 0.001 0.000 0.311 423 W C 0.391 176.999 176.519 0.149 0.000 1.088 423 W CA -0.708 56.681 57.345 0.074 0.000 1.309 423 W CB 1.491 31.059 29.460 0.181 0.000 1.229 423 W HN 0.634 nan 8.180 nan 0.000 0.427 424 G N 2.469 111.445 108.800 0.292 0.000 2.600 424 G HA2 0.673 4.634 3.960 0.001 0.000 0.303 424 G HA3 0.673 4.634 3.960 0.001 0.000 0.303 424 G C -2.068 173.060 174.900 0.380 0.000 1.253 424 G CA -1.020 44.263 45.100 0.305 0.000 0.974 424 G HN 0.362 nan 8.290 nan 0.000 0.483 425 L N 0.879 122.270 121.223 0.280 0.000 2.317 425 L HA 0.747 5.088 4.340 0.001 0.000 0.281 425 L C 0.827 177.801 176.870 0.174 0.000 1.024 425 L CA -0.415 54.575 54.840 0.250 0.000 0.810 425 L CB 1.307 43.447 42.059 0.136 0.000 1.240 425 L HN 0.768 nan 8.230 nan 0.000 0.427 426 G N 4.238 113.139 108.800 0.168 0.000 2.138 426 G HA2 0.355 4.316 3.960 0.001 0.000 0.244 426 G HA3 0.355 4.316 3.960 0.001 0.000 0.244 426 G C 0.829 175.788 174.900 0.099 0.000 1.166 426 G CA 0.380 45.560 45.100 0.133 0.000 0.902 426 G HN 2.053 nan 8.290 nan 0.000 0.460 427 A N 1.989 124.860 122.820 0.085 0.000 2.887 427 A HA -0.186 4.135 4.320 0.001 0.000 0.257 427 A C 1.444 179.062 177.584 0.056 0.000 1.372 427 A CA 1.634 53.706 52.037 0.058 0.000 0.879 427 A CB -1.776 17.252 19.000 0.047 0.000 1.082 427 A HN 1.324 nan 8.150 nan 0.000 0.703 428 D N -1.070 119.375 120.400 0.075 0.000 2.328 428 D HA 0.384 5.025 4.640 0.001 0.000 0.221 428 D C 1.367 177.710 176.300 0.072 0.000 1.072 428 D CA 0.818 54.862 54.000 0.074 0.000 0.850 428 D CB -0.704 40.155 40.800 0.099 0.000 0.922 428 D HN 1.818 nan 8.370 nan 0.000 0.516 429 G N -0.228 108.607 108.800 0.058 0.000 2.153 429 G HA2 -0.375 3.586 3.960 0.001 0.000 0.252 429 G HA3 -0.375 3.586 3.960 0.001 0.000 0.252 429 G C 1.091 176.020 174.900 0.048 0.000 0.994 429 G CA 0.856 45.980 45.100 0.039 0.000 0.698 429 G HN 0.378 nan 8.290 nan 0.000 0.521 430 T N 0.024 114.634 114.554 0.093 0.000 2.737 430 T HA -0.072 4.279 4.350 0.001 0.000 0.265 430 T C 2.588 177.271 174.700 -0.029 0.000 1.038 430 T CA 1.700 63.872 62.100 0.119 0.000 1.144 430 T CB -0.172 68.832 68.868 0.226 0.000 0.866 430 T HN 0.281 nan 8.240 nan 0.000 0.434 431 V N 1.481 121.348 119.914 -0.078 0.000 2.287 431 V HA -0.134 3.987 4.120 0.001 0.000 0.248 431 V C 2.872 178.827 176.094 -0.232 0.000 1.053 431 V CA 2.035 64.186 62.300 -0.248 0.000 1.027 431 V CB -1.397 30.154 31.823 -0.453 0.000 0.646 431 V HN 0.611 nan 8.190 nan 0.000 0.447 432 G N -0.449 108.265 108.800 -0.143 0.000 2.440 432 G HA2 -0.247 3.713 3.960 0.001 0.000 0.218 432 G HA3 -0.247 3.713 3.960 0.001 0.000 0.218 432 G C 1.761 176.627 174.900 -0.058 0.000 1.154 432 G CA 1.155 46.195 45.100 -0.100 0.000 0.767 432 G HN 0.625 nan 8.290 nan 0.000 0.552 433 A N 1.241 124.038 122.820 -0.038 0.000 1.898 433 A HA -0.082 4.239 4.320 0.001 0.000 0.216 433 A C 2.306 179.857 177.584 -0.055 0.000 1.181 433 A CA 1.866 53.897 52.037 -0.009 0.000 0.620 433 A CB -0.428 18.585 19.000 0.021 0.000 0.819 433 A HN 0.354 nan 8.150 nan 0.000 0.442 434 N N 0.225 118.830 118.700 -0.158 0.000 2.120 434 N HA -0.139 4.601 4.740 0.001 0.000 0.188 434 N C 1.606 177.119 175.510 0.005 0.000 1.024 434 N CA 1.593 54.514 53.050 -0.215 0.000 0.852 434 N CB -0.383 37.990 38.487 -0.191 0.000 1.003 434 N HN 0.562 nan 8.380 nan 0.000 0.424 435 K N 0.624 121.059 120.400 0.058 0.000 2.057 435 K HA -0.074 4.247 4.320 0.001 0.000 0.207 435 K C 2.017 178.663 176.600 0.076 0.000 1.049 435 K CA 0.874 57.216 56.287 0.091 0.000 0.931 435 K CB 0.008 32.508 32.500 0.001 0.000 0.714 435 K HN 0.126 nan 8.250 nan 0.000 0.440 436 Q N 0.153 119.985 119.800 0.054 0.000 2.124 436 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 436 Q C 2.146 178.247 176.000 0.168 0.000 0.977 436 Q CA 1.581 57.435 55.803 0.084 0.000 0.850 436 Q CB -0.211 28.566 28.738 0.065 0.000 0.901 436 Q HN 0.332 nan 8.270 nan 0.000 0.429 437 A N 0.662 123.597 122.820 0.192 0.000 1.902 437 A HA -0.161 4.160 4.320 0.001 0.000 0.217 437 A C 2.167 179.901 177.584 0.250 0.000 1.181 437 A CA 1.158 53.363 52.037 0.280 0.000 0.623 437 A CB -0.672 18.328 19.000 -0.001 0.000 0.818 437 A HN 0.342 nan 8.150 nan 0.000 0.443 438 I N -0.582 120.128 120.570 0.234 0.000 2.163 438 I HA -0.292 3.879 4.170 0.001 0.000 0.243 438 I C 2.575 178.824 176.117 0.220 0.000 1.085 438 I CA 2.013 63.489 61.300 0.293 0.000 1.347 438 I CB -0.248 37.857 38.000 0.175 0.000 1.044 438 I HN 0.383 nan 8.210 nan 0.000 0.408 439 K N 1.422 121.915 120.400 0.154 0.000 2.025 439 K HA -0.155 4.166 4.320 0.001 0.000 0.207 439 K C 2.147 178.816 176.600 0.116 0.000 1.049 439 K CA 1.404 57.757 56.287 0.110 0.000 0.933 439 K CB -0.066 32.478 32.500 0.074 0.000 0.714 439 K HN 0.209 nan 8.250 nan 0.000 0.438 440 I N 0.941 121.603 120.570 0.154 0.000 2.127 440 I HA -0.322 3.849 4.170 0.001 0.000 0.241 440 I C 2.278 178.484 176.117 0.147 0.000 1.075 440 I CA 1.412 62.810 61.300 0.163 0.000 1.334 440 I CB -0.241 37.923 38.000 0.273 0.000 1.040 440 I HN 0.200 nan 8.210 nan 0.000 0.405 441 I N 0.516 121.181 120.570 0.159 0.000 2.179 441 I HA -0.202 3.969 4.170 0.001 0.000 0.242 441 I C 2.646 178.813 176.117 0.083 0.000 1.088 441 I CA 1.657 63.001 61.300 0.073 0.000 1.357 441 I CB -0.831 37.129 38.000 -0.065 0.000 1.051 441 I HN 0.263 nan 8.210 nan 0.000 0.409 442 G N 0.158 109.035 108.800 0.128 0.000 2.422 442 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 442 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 442 G C 1.176 176.089 174.900 0.023 0.000 1.146 442 G CA 0.828 45.975 45.100 0.077 0.000 0.769 442 G HN 0.287 nan 8.290 nan 0.000 0.547 443 D N 0.203 120.624 120.400 0.034 0.000 2.317 443 D HA 0.003 4.644 4.640 0.001 0.000 0.211 443 D C 1.590 177.892 176.300 0.003 0.000 0.966 443 D CA 0.492 54.499 54.000 0.012 0.000 0.876 443 D CB 0.050 40.861 40.800 0.019 0.000 0.927 443 D HN 0.275 nan 8.370 nan 0.000 0.519 444 N N -0.228 118.480 118.700 0.013 0.000 2.177 444 N HA 0.035 4.776 4.740 0.001 0.000 0.218 444 N C 0.196 175.702 175.510 -0.008 0.000 1.182 444 N CA 0.198 53.250 53.050 0.004 0.000 0.882 444 N CB 1.693 40.191 38.487 0.018 0.000 1.052 444 N HN 0.209 nan 8.380 nan 0.000 0.519 445 T N -3.092 111.452 114.554 -0.017 0.000 2.696 445 T HA 0.353 4.704 4.350 0.001 0.000 0.291 445 T C -0.560 174.103 174.700 -0.062 0.000 1.095 445 T CA -0.491 61.591 62.100 -0.031 0.000 1.026 445 T CB 1.967 70.820 68.868 -0.026 0.000 1.390 445 T HN -0.343 nan 8.240 nan 0.000 0.513 446 D N 0.166 120.521 120.400 -0.075 0.000 2.402 446 D HA 0.366 5.007 4.640 0.001 0.000 0.216 446 D C 0.374 176.544 176.300 -0.218 0.000 1.128 446 D CA -0.121 53.794 54.000 -0.142 0.000 0.833 446 D CB -0.093 40.650 40.800 -0.095 0.000 0.971 446 D HN 0.425 nan 8.370 nan 0.000 0.503 447 L N 0.115 121.269 121.223 -0.115 0.000 2.464 447 L HA 0.237 4.578 4.340 0.001 0.000 0.264 447 L C 0.336 177.119 176.870 -0.145 0.000 1.199 447 L CA -0.330 54.492 54.840 -0.030 0.000 0.818 447 L CB 0.391 42.516 42.059 0.109 0.000 1.102 447 L HN -0.170 nan 8.230 nan 0.000 0.473 448 F N 0.494 120.512 119.950 0.114 0.000 2.399 448 F HA 0.618 5.146 4.527 0.001 0.000 0.328 448 F C 0.461 176.318 175.800 0.096 0.000 1.084 448 F CA -0.318 57.731 58.000 0.081 0.000 1.053 448 F CB 1.518 40.545 39.000 0.045 0.000 1.209 448 F HN 0.417 nan 8.300 nan 0.000 0.502 449 A N 2.454 125.392 122.820 0.196 0.000 2.449 449 A HA 0.677 4.998 4.320 0.001 0.000 0.302 449 A C -1.408 176.113 177.584 -0.105 0.000 1.048 449 A CA -0.597 51.428 52.037 -0.020 0.000 0.708 449 A CB 1.948 21.021 19.000 0.121 0.000 1.274 449 A HN 0.699 nan 8.150 nan 0.000 0.410 450 Q N 1.257 120.872 119.800 -0.309 0.000 2.315 450 Q HA 0.592 4.933 4.340 0.001 0.000 0.273 450 Q C -0.879 174.971 176.000 -0.249 0.000 1.053 450 Q CA -0.556 55.133 55.803 -0.188 0.000 0.817 450 Q CB 2.259 30.915 28.738 -0.138 0.000 1.326 450 Q HN 1.187 nan 8.270 nan 0.000 0.423 451 G N 2.163 110.878 108.800 -0.143 0.000 2.617 451 G HA2 0.578 4.539 3.960 0.001 0.000 0.306 451 G HA3 0.578 4.539 3.960 0.001 0.000 0.306 451 G C -2.354 172.399 174.900 -0.246 0.000 1.360 451 G CA -0.279 44.667 45.100 -0.256 0.000 0.983 451 G HN 0.503 nan 8.290 nan 0.000 0.496 452 Y N 1.440 121.338 120.300 -0.670 0.000 2.441 452 Y HA 0.679 5.230 4.550 0.002 0.000 0.334 452 Y C -1.776 173.695 175.900 -0.715 0.000 1.061 452 Y CA -1.492 56.336 58.100 -0.452 0.000 1.032 452 Y CB 1.756 40.096 38.460 -0.200 0.000 1.266 452 Y HN 0.468 nan 8.280 nan 0.000 0.441 453 F N 3.410 123.041 119.950 -0.531 0.000 2.493 453 F HA 0.522 5.050 4.527 0.002 0.000 0.329 453 F C 0.069 175.535 175.800 -0.556 0.000 1.126 453 F CA -0.879 56.843 58.000 -0.462 0.000 0.937 453 F CB 2.152 40.836 39.000 -0.526 0.000 1.146 453 F HN 0.368 nan 8.300 nan 0.000 0.442 454 S N 3.269 118.835 115.700 -0.223 0.000 2.442 454 S HA 0.640 5.111 4.470 0.001 0.000 0.297 454 S C -0.943 173.500 174.600 -0.262 0.000 1.131 454 S CA -0.291 57.833 58.200 -0.126 0.000 1.092 454 S CB 0.220 63.402 63.200 -0.031 0.000 0.998 454 S HN 0.446 nan 8.310 nan 0.000 0.478 455 Y N 1.774 122.065 120.300 -0.015 0.000 2.654 455 Y HA 0.558 5.109 4.550 0.001 0.000 0.328 455 Y C 0.567 176.457 175.900 -0.016 0.000 1.174 455 Y CA -1.004 57.093 58.100 -0.005 0.000 1.293 455 Y CB 0.567 39.038 38.460 0.018 0.000 1.464 455 Y HN 0.531 nan 8.280 nan 0.000 0.559 456 D N -1.270 119.251 120.400 0.203 0.000 2.228 456 D HA 0.272 4.912 4.640 0.001 0.000 0.247 456 D C 0.230 176.609 176.300 0.133 0.000 0.995 456 D CA -0.170 53.903 54.000 0.121 0.000 0.903 456 D CB 2.141 43.005 40.800 0.106 0.000 1.205 456 D HN 0.463 nan 8.370 nan 0.000 0.459 457 S N 0.663 116.432 115.700 0.115 0.000 2.436 457 S HA -0.002 4.469 4.470 0.001 0.000 0.228 457 S C 0.543 175.217 174.600 0.123 0.000 1.014 457 S CA 0.353 58.621 58.200 0.113 0.000 0.950 457 S CB 0.120 63.382 63.200 0.104 0.000 0.784 457 S HN 0.296 nan 8.310 nan 0.000 0.504 458 K N 2.342 122.822 120.400 0.133 0.000 2.416 458 K HA 0.137 4.458 4.320 0.001 0.000 0.283 458 K C 0.585 177.265 176.600 0.134 0.000 1.037 458 K CA 0.156 56.530 56.287 0.144 0.000 0.995 458 K CB 0.596 33.185 32.500 0.147 0.000 0.938 458 K HN 0.215 nan 8.250 nan 0.000 0.475 459 K N 0.504 120.988 120.400 0.139 0.000 2.228 459 K HA -0.020 4.300 4.320 0.001 0.000 0.202 459 K C 0.805 177.467 176.600 0.103 0.000 1.051 459 K CA 0.583 56.942 56.287 0.119 0.000 0.960 459 K CB 0.278 32.858 32.500 0.135 0.000 0.743 459 K HN 0.300 nan 8.250 nan 0.000 0.458 460 S N -0.978 114.785 115.700 0.105 0.000 2.500 460 S HA 0.462 4.932 4.470 0.001 0.000 0.301 460 S C 0.047 174.700 174.600 0.088 0.000 1.092 460 S CA -0.161 58.088 58.200 0.081 0.000 1.030 460 S CB 1.566 64.798 63.200 0.053 0.000 1.031 460 S HN 0.483 nan 8.310 nan 0.000 0.483 461 G N 3.037 111.892 108.800 0.092 0.000 2.249 461 G HA2 -0.176 3.785 3.960 0.001 0.000 0.273 461 G HA3 -0.176 3.785 3.960 0.001 0.000 0.273 461 G C 0.490 175.488 174.900 0.163 0.000 1.036 461 G CA 0.147 45.317 45.100 0.117 0.000 0.824 461 G HN 1.100 nan 8.290 nan 0.000 0.504 462 G N -0.915 107.979 108.800 0.157 0.000 2.572 462 G HA2 0.598 4.559 3.960 0.001 0.000 0.261 462 G HA3 0.598 4.559 3.960 0.001 0.000 0.261 462 G C 0.072 175.085 174.900 0.189 0.000 1.197 462 G CA -0.076 45.124 45.100 0.166 0.000 0.870 462 G HN 1.251 nan 8.290 nan 0.000 0.548 463 I N 0.272 120.916 120.570 0.123 0.000 2.359 463 I HA 0.606 4.777 4.170 0.001 0.000 0.294 463 I C 0.409 176.494 176.117 -0.053 0.000 0.987 463 I CA -0.579 60.750 61.300 0.047 0.000 1.225 463 I CB 1.606 39.435 38.000 -0.285 0.000 1.366 463 I HN 0.560 nan 8.210 nan 0.000 0.466 464 T N 5.800 120.327 114.554 -0.045 0.000 2.885 464 T HA 0.755 5.106 4.350 0.001 0.000 0.285 464 T C -0.362 174.170 174.700 -0.281 0.000 1.019 464 T CA -0.672 61.328 62.100 -0.167 0.000 1.010 464 T CB 1.191 69.971 68.868 -0.147 0.000 1.022 464 T HN 0.506 nan 8.240 nan 0.000 0.466 465 I N 2.144 122.488 120.570 -0.376 0.000 2.447 465 I HA 0.392 4.563 4.170 0.001 0.000 0.287 465 I C -0.145 175.815 176.117 -0.262 0.000 1.023 465 I CA -0.845 60.152 61.300 -0.505 0.000 1.083 465 I CB 2.242 39.795 38.000 -0.745 0.000 1.245 465 I HN 0.645 nan 8.210 nan 0.000 0.434 466 S N 4.540 120.129 115.700 -0.186 0.000 2.525 466 S HA 0.500 4.970 4.470 0.001 0.000 0.290 466 S C -0.619 173.848 174.600 -0.222 0.000 1.152 466 S CA -0.615 57.525 58.200 -0.100 0.000 1.072 466 S CB 0.901 64.152 63.200 0.086 0.000 1.027 466 S HN 0.446 nan 8.310 nan 0.000 0.500 467 H N 2.595 121.549 119.070 -0.193 0.000 2.762 467 H HA 0.410 4.967 4.556 0.001 0.000 0.310 467 H C -0.958 174.279 175.328 -0.151 0.000 1.004 467 H CA -0.351 55.640 56.048 -0.095 0.000 1.267 467 H CB 0.793 30.509 29.762 -0.077 0.000 1.437 467 H HN 0.318 nan 8.280 nan 0.000 0.498 468 L N 3.212 124.455 121.223 0.033 0.000 2.342 468 L HA 0.613 4.954 4.340 0.001 0.000 0.271 468 L C 0.150 176.940 176.870 -0.134 0.000 1.008 468 L CA -0.817 53.963 54.840 -0.101 0.000 0.818 468 L CB 2.327 44.379 42.059 -0.010 0.000 1.296 468 L HN 0.417 nan 8.230 nan 0.000 0.427 469 R N 1.922 122.181 120.500 -0.402 0.000 2.725 469 R HA 0.726 5.066 4.340 0.001 0.000 0.277 469 R C -1.802 174.140 176.300 -0.597 0.000 0.987 469 R CA -0.690 55.242 56.100 -0.280 0.000 0.901 469 R CB 2.658 32.864 30.300 -0.156 0.000 1.207 469 R HN 0.332 nan 8.270 nan 0.000 0.463 470 F N -0.225 119.783 119.950 0.096 0.000 2.581 470 F HA 0.687 5.215 4.527 0.001 0.000 0.311 470 F C 0.381 176.247 175.800 0.109 0.000 1.113 470 F CA -0.643 57.422 58.000 0.108 0.000 0.935 470 F CB 2.894 41.952 39.000 0.095 0.000 1.232 470 F HN 0.650 nan 8.300 nan 0.000 0.445 471 G N 1.359 110.352 108.800 0.321 0.000 2.698 471 G HA2 0.363 4.324 3.960 0.001 0.000 0.293 471 G HA3 0.363 4.324 3.960 0.001 0.000 0.293 471 G C -0.397 174.699 174.900 0.327 0.000 1.437 471 G CA -0.683 44.570 45.100 0.255 0.000 0.852 471 G HN 0.594 nan 8.290 nan 0.000 0.499 472 E N -0.395 119.953 120.200 0.246 0.000 2.274 472 E HA -0.010 4.341 4.350 0.001 0.000 0.194 472 E C 0.513 177.355 176.600 0.404 0.000 0.996 472 E CA 0.718 57.278 56.400 0.265 0.000 0.840 472 E CB 0.192 29.985 29.700 0.156 0.000 0.772 472 E HN 0.290 nan 8.360 nan 0.000 0.491 473 K N 1.065 121.610 120.400 0.242 0.000 2.166 473 K HA 0.350 4.671 4.320 0.001 0.000 0.245 473 K C -2.696 173.615 176.600 -0.483 0.000 0.967 473 K CA -2.345 53.932 56.287 -0.017 0.000 0.863 473 K CB 1.197 33.678 32.500 -0.032 0.000 1.107 473 K HN -0.253 nan 8.250 nan 0.000 0.436 474 P HA 0.012 nan 4.420 nan 0.000 0.264 474 P C -0.715 176.333 177.300 -0.419 0.000 1.193 474 P CA 0.414 62.864 63.100 -1.082 0.000 0.763 474 P CB 0.262 31.531 31.700 -0.719 0.000 0.810 475 I N 3.886 124.294 120.570 -0.269 0.000 2.297 475 I HA 0.129 4.300 4.170 0.001 0.000 0.291 475 I C 1.198 177.268 176.117 -0.078 0.000 1.033 475 I CA 0.220 61.451 61.300 -0.115 0.000 1.253 475 I CB 0.601 38.563 38.000 -0.062 0.000 1.396 475 I HN 0.312 nan 8.210 nan 0.000 0.476 476 Q N 3.300 123.072 119.800 -0.047 0.000 2.179 476 Q HA 0.171 4.511 4.340 0.001 0.000 0.213 476 Q C 0.093 176.114 176.000 0.036 0.000 0.833 476 Q CA -0.127 55.680 55.803 0.007 0.000 0.990 476 Q CB 0.607 29.364 28.738 0.032 0.000 1.132 476 Q HN 0.602 nan 8.270 nan 0.000 0.493 477 S N 2.234 117.899 115.700 -0.058 0.000 3.829 477 S HA 0.010 4.481 4.470 0.001 0.000 0.250 477 S C 0.691 175.089 174.600 -0.337 0.000 1.263 477 S CA -0.070 57.983 58.200 -0.244 0.000 0.955 477 S CB -0.395 62.475 63.200 -0.551 0.000 1.611 477 S HN 0.278 nan 8.310 nan 0.000 0.483 478 T N 1.044 115.595 114.554 -0.005 0.000 3.843 478 T HA 0.389 4.740 4.350 0.001 0.000 0.227 478 T C -0.221 174.507 174.700 0.046 0.000 1.043 478 T CA -0.598 61.499 62.100 -0.004 0.000 1.012 478 T CB -1.208 67.729 68.868 0.115 0.000 1.279 478 T HN 0.595 nan 8.240 nan 0.000 0.730 479 Y N -1.553 118.657 120.300 -0.149 0.000 2.689 479 Y HA 0.664 5.215 4.550 0.001 0.000 0.333 479 Y C -0.951 174.784 175.900 -0.274 0.000 1.208 479 Y CA -2.177 55.806 58.100 -0.194 0.000 1.055 479 Y CB 0.753 39.147 38.460 -0.111 0.000 1.304 479 Y HN 0.021 nan 8.280 nan 0.000 0.455 480 L N 1.994 123.076 121.223 -0.234 0.000 2.464 480 L HA 0.330 4.671 4.340 0.001 0.000 0.264 480 L C -0.023 176.795 176.870 -0.086 0.000 1.199 480 L CA -1.124 53.465 54.840 -0.418 0.000 0.818 480 L CB 0.559 42.324 42.059 -0.489 0.000 1.102 480 L HN 0.515 nan 8.230 nan 0.000 0.473 481 V N 2.034 122.033 119.914 0.142 0.000 2.585 481 V HA -0.054 4.067 4.120 0.001 0.000 0.296 481 V C 0.657 176.876 176.094 0.208 0.000 1.035 481 V CA 0.328 62.741 62.300 0.189 0.000 1.084 481 V CB 0.844 32.806 31.823 0.232 0.000 0.953 481 V HN 0.999 nan 8.190 nan 0.000 0.483 482 N N 3.306 122.108 118.700 0.170 0.000 2.193 482 N HA 0.131 4.872 4.740 0.001 0.000 0.210 482 N C 0.347 175.913 175.510 0.094 0.000 1.215 482 N CA -0.206 52.925 53.050 0.135 0.000 0.901 482 N CB 0.532 39.093 38.487 0.123 0.000 1.060 482 N HN 0.567 nan 8.380 nan 0.000 0.508 483 R N 0.619 121.172 120.500 0.089 0.000 2.607 483 R HA 0.577 4.918 4.340 0.001 0.000 0.278 483 R C -1.198 175.144 176.300 0.071 0.000 1.637 483 R CA -0.444 55.693 56.100 0.061 0.000 1.325 483 R CB 1.540 31.864 30.300 0.040 0.000 1.211 483 R HN 0.186 nan 8.270 nan 0.000 0.565 484 A N 1.199 124.063 122.820 0.073 0.000 2.302 484 A HA 0.243 4.564 4.320 0.001 0.000 0.285 484 A C 0.032 177.677 177.584 0.102 0.000 1.105 484 A CA -0.416 51.675 52.037 0.090 0.000 0.816 484 A CB 0.549 19.599 19.000 0.082 0.000 1.067 484 A HN 0.631 nan 8.150 nan 0.000 0.489 485 D N -1.411 119.074 120.400 0.142 0.000 2.327 485 D HA 0.143 4.784 4.640 0.001 0.000 0.205 485 D C -0.576 175.862 176.300 0.230 0.000 0.989 485 D CA 1.261 55.358 54.000 0.162 0.000 0.873 485 D CB 0.208 41.105 40.800 0.162 0.000 0.955 485 D HN 0.506 nan 8.370 nan 0.000 0.515 486 Y N 0.474 120.818 120.300 0.073 0.000 2.396 486 Y HA 0.477 5.028 4.550 0.001 0.000 0.332 486 Y C -1.783 174.121 175.900 0.006 0.000 1.034 486 Y CA -0.962 57.177 58.100 0.065 0.000 1.057 486 Y CB 1.395 39.892 38.460 0.062 0.000 1.220 486 Y HN -0.352 nan 8.280 nan 0.000 0.440 487 V N 5.268 125.004 119.914 -0.297 0.000 2.577 487 V HA 0.872 4.993 4.120 0.001 0.000 0.303 487 V C -0.736 175.237 176.094 -0.202 0.000 1.042 487 V CA -0.542 61.659 62.300 -0.166 0.000 0.872 487 V CB 1.463 33.277 31.823 -0.016 0.000 0.998 487 V HN 0.917 nan 8.190 nan 0.000 0.423 488 A N 3.161 125.892 122.820 -0.148 0.000 2.343 488 A HA 0.689 5.010 4.320 0.001 0.000 0.316 488 A C -0.624 177.142 177.584 0.303 0.000 1.104 488 A CA -0.439 51.644 52.037 0.078 0.000 0.768 488 A CB 1.439 20.601 19.000 0.269 0.000 1.213 488 A HN 0.980 nan 8.150 nan 0.000 0.456 489 C N 3.166 122.704 119.300 0.396 0.000 2.251 489 C HA 0.520 4.981 4.460 0.001 0.000 0.323 489 C C 0.919 176.162 174.990 0.421 0.000 1.241 489 C CA -0.346 58.921 59.018 0.415 0.000 1.601 489 C CB -1.400 26.578 27.740 0.396 0.000 2.251 489 C HN 1.004 nan 8.230 nan 0.000 0.488 490 H N 2.769 122.002 119.070 0.272 0.000 2.539 490 H HA 0.091 4.648 4.556 0.001 0.000 0.267 490 H C 0.177 175.504 175.328 -0.002 0.000 0.982 490 H CA 0.101 56.236 56.048 0.144 0.000 1.146 490 H CB 0.306 30.186 29.762 0.197 0.000 1.382 490 H HN 0.604 nan 8.280 nan 0.000 0.577 491 N N 0.876 119.580 118.700 0.007 0.000 2.504 491 N HA 0.075 4.816 4.740 0.001 0.000 0.280 491 N C -1.917 173.441 175.510 -0.255 0.000 1.052 491 N CA -2.348 50.532 53.050 -0.283 0.000 0.887 491 N CB 1.688 39.714 38.487 -0.768 0.000 1.323 491 N HN -0.182 nan 8.380 nan 0.000 0.509 492 P HA -0.186 nan 4.420 nan 0.000 0.217 492 P C 0.892 178.233 177.300 0.068 0.000 1.148 492 P CA 1.097 64.091 63.100 -0.176 0.000 0.828 492 P CB 0.171 31.533 31.700 -0.562 0.000 0.783 493 A N -0.831 121.992 122.820 0.005 0.000 2.084 493 A HA -0.191 4.130 4.320 0.001 0.000 0.221 493 A C 2.175 179.935 177.584 0.293 0.000 1.161 493 A CA 1.094 53.215 52.037 0.140 0.000 0.653 493 A CB -1.839 17.216 19.000 0.092 0.000 0.802 493 A HN 0.291 nan 8.150 nan 0.000 0.457 494 Y N -0.421 120.017 120.300 0.230 0.000 2.395 494 Y HA -0.133 4.418 4.550 0.001 0.000 0.293 494 Y C 2.576 178.548 175.900 0.120 0.000 1.123 494 Y CA 0.483 58.746 58.100 0.272 0.000 1.227 494 Y CB -0.217 38.442 38.460 0.332 0.000 1.012 494 Y HN 0.308 nan 8.280 nan 0.000 0.552 495 V N -1.536 118.547 119.914 0.282 0.000 2.324 495 V HA -0.212 3.909 4.120 0.001 0.000 0.250 495 V C 1.990 178.116 176.094 0.053 0.000 1.060 495 V CA 2.264 64.663 62.300 0.164 0.000 1.042 495 V CB -1.366 30.620 31.823 0.272 0.000 0.650 495 V HN 0.327 nan 8.190 nan 0.000 0.450 496 G N 0.002 108.843 108.800 0.067 0.000 2.985 496 G HA2 0.191 4.152 3.960 0.001 0.000 0.209 496 G HA3 0.191 4.152 3.960 0.001 0.000 0.209 496 G C 1.350 176.204 174.900 -0.075 0.000 1.165 496 G CA 0.794 45.884 45.100 -0.016 0.000 0.776 496 G HN 0.833 nan 8.290 nan 0.000 0.541 497 I N -5.014 115.482 120.570 -0.124 0.000 4.433 497 I HA 0.476 4.647 4.170 0.001 0.000 0.322 497 I C -0.058 175.776 176.117 -0.471 0.000 1.284 497 I CA -0.562 60.539 61.300 -0.331 0.000 1.269 497 I CB 0.574 38.289 38.000 -0.474 0.000 1.219 497 I HN -0.102 nan 8.210 nan 0.000 0.436 498 Y N 1.518 121.775 120.300 -0.071 0.000 2.549 498 Y HA 0.459 5.009 4.550 0.001 0.000 0.339 498 Y C -0.276 175.470 175.900 -0.256 0.000 1.053 498 Y CA -0.953 57.063 58.100 -0.139 0.000 1.105 498 Y CB 0.967 39.308 38.460 -0.199 0.000 1.258 498 Y HN -0.121 nan 8.280 nan 0.000 0.478 499 D N 2.658 123.052 120.400 -0.010 0.000 2.608 499 D HA 0.055 4.696 4.640 0.001 0.000 0.224 499 D C 1.036 177.196 176.300 -0.233 0.000 1.123 499 D CA 0.045 53.985 54.000 -0.100 0.000 1.030 499 D CB -0.295 40.502 40.800 -0.004 0.000 1.093 499 D HN 0.608 nan 8.370 nan 0.000 0.497 500 I N -1.518 118.735 120.570 -0.528 0.000 2.756 500 I HA -0.115 4.056 4.170 0.001 0.000 0.262 500 I C 1.080 176.897 176.117 -0.501 0.000 1.225 500 I CA 0.767 61.550 61.300 -0.862 0.000 1.472 500 I CB -0.065 37.306 38.000 -1.047 0.000 1.094 500 I HN 0.163 nan 8.210 nan 0.000 0.454 501 L N 1.170 122.146 121.223 -0.411 0.000 2.640 501 L HA 0.257 4.598 4.340 0.001 0.000 0.230 501 L C 0.902 177.671 176.870 -0.169 0.000 1.123 501 L CA -0.162 54.462 54.840 -0.359 0.000 0.900 501 L CB -0.304 41.472 42.059 -0.471 0.000 1.146 501 L HN 0.302 nan 8.230 nan 0.000 0.484 502 E N 1.501 121.645 120.200 -0.092 0.000 2.820 502 E HA -0.042 4.309 4.350 0.001 0.000 0.251 502 E C 1.256 177.856 176.600 0.000 0.000 0.944 502 E CA 0.883 57.267 56.400 -0.026 0.000 0.955 502 E CB 0.244 29.963 29.700 0.031 0.000 0.904 502 E HN 0.395 nan 8.360 nan 0.000 0.513 503 G N 4.200 112.995 108.800 -0.009 0.000 2.168 503 G HA2 -0.333 3.628 3.960 0.001 0.000 0.263 503 G HA3 -0.333 3.628 3.960 0.001 0.000 0.263 503 G C 0.393 175.297 174.900 0.007 0.000 0.977 503 G CA 0.255 45.359 45.100 0.008 0.000 0.659 503 G HN 0.691 nan 8.290 nan 0.000 0.533 504 I N 0.871 121.430 120.570 -0.019 0.000 2.752 504 I HA 0.248 4.419 4.170 0.001 0.000 0.287 504 I C 0.949 177.072 176.117 0.010 0.000 1.188 504 I CA -0.249 61.047 61.300 -0.007 0.000 1.427 504 I CB 0.291 38.261 38.000 -0.049 0.000 1.365 504 I HN 0.141 nan 8.210 nan 0.000 0.585 505 K N 5.494 125.916 120.400 0.036 0.000 2.355 505 K HA 0.089 4.410 4.320 0.001 0.000 0.270 505 K C -0.568 176.060 176.600 0.047 0.000 1.003 505 K CA -0.580 55.732 56.287 0.042 0.000 0.957 505 K CB 0.219 32.754 32.500 0.057 0.000 0.939 505 K HN 0.488 nan 8.250 nan 0.000 0.482 506 D N 0.726 121.151 120.400 0.043 0.000 2.488 506 D HA 0.052 4.692 4.640 0.001 0.000 0.238 506 D C 1.218 177.562 176.300 0.074 0.000 1.138 506 D CA 1.342 55.373 54.000 0.051 0.000 0.873 506 D CB 0.643 41.469 40.800 0.044 0.000 1.183 506 D HN 0.757 nan 8.370 nan 0.000 0.458 507 G N 1.542 110.398 108.800 0.094 0.000 2.155 507 G HA2 -0.194 3.767 3.960 0.001 0.000 0.257 507 G HA3 -0.194 3.767 3.960 0.001 0.000 0.257 507 G C 0.792 175.776 174.900 0.140 0.000 0.983 507 G CA 0.284 45.455 45.100 0.119 0.000 0.676 507 G HN 0.805 nan 8.290 nan 0.000 0.528 508 G N -0.996 107.884 108.800 0.133 0.000 2.621 508 G HA2 0.633 4.593 3.960 0.001 0.000 0.271 508 G HA3 0.633 4.593 3.960 0.001 0.000 0.271 508 G C 0.323 175.352 174.900 0.215 0.000 1.236 508 G CA 0.834 46.028 45.100 0.155 0.000 0.958 508 G HN 1.393 nan 8.290 nan 0.000 0.512 509 T N -2.164 112.533 114.554 0.238 0.000 2.856 509 T HA 0.592 4.943 4.350 0.001 0.000 0.283 509 T C -1.443 173.407 174.700 0.250 0.000 1.008 509 T CA -0.746 61.541 62.100 0.311 0.000 0.997 509 T CB 1.376 70.452 68.868 0.346 0.000 0.992 509 T HN 0.506 nan 8.240 nan 0.000 0.454 510 F N 5.096 125.153 119.950 0.179 0.000 2.507 510 F HA 0.678 5.206 4.527 0.001 0.000 0.328 510 F C -1.485 174.461 175.800 0.243 0.000 1.136 510 F CA -1.580 56.483 58.000 0.104 0.000 0.930 510 F CB 1.387 40.471 39.000 0.139 0.000 1.166 510 F HN 0.495 nan 8.300 nan 0.000 0.436 511 V N 7.362 127.144 119.914 -0.220 0.000 2.435 511 V HA 0.506 4.627 4.120 0.001 0.000 0.290 511 V C -0.864 174.978 176.094 -0.422 0.000 1.030 511 V CA -0.728 61.413 62.300 -0.265 0.000 0.881 511 V CB 1.414 33.169 31.823 -0.113 0.000 0.983 511 V HN 0.685 nan 8.190 nan 0.000 0.445 512 L N 4.754 125.737 121.223 -0.400 0.000 2.362 512 L HA 0.638 4.979 4.340 0.001 0.000 0.275 512 L C -0.482 176.300 176.870 -0.147 0.000 0.998 512 L CA -0.332 54.346 54.840 -0.270 0.000 0.820 512 L CB 1.820 43.735 42.059 -0.241 0.000 1.270 512 L HN 0.689 nan 8.230 nan 0.000 0.415 513 N N 3.036 121.686 118.700 -0.083 0.000 2.414 513 N HA 0.706 5.446 4.740 0.001 0.000 0.256 513 N C -1.171 174.176 175.510 -0.272 0.000 1.029 513 N CA 0.472 53.442 53.050 -0.133 0.000 0.948 513 N CB 0.850 39.286 38.487 -0.084 0.000 1.102 513 N HN 0.805 nan 8.380 nan 0.000 0.496 514 S N 2.601 118.084 115.700 -0.362 0.000 2.611 514 S HA 0.483 4.954 4.470 0.001 0.000 0.270 514 S C -2.909 171.369 174.600 -0.537 0.000 1.131 514 S CA -0.882 56.904 58.200 -0.690 0.000 0.826 514 S CB 1.869 64.354 63.200 -1.192 0.000 1.095 514 S HN 0.408 nan 8.310 nan 0.000 0.461 515 P HA 0.303 nan 4.420 nan 0.000 0.266 515 P C -0.617 176.622 177.300 -0.102 0.000 1.381 515 P CA 0.025 62.942 63.100 -0.306 0.000 0.940 515 P CB -0.183 31.373 31.700 -0.239 0.000 1.435 516 W N 1.168 122.453 121.300 -0.025 0.000 1.738 516 W HA 0.287 4.948 4.660 0.001 0.000 0.399 516 W C 0.848 177.449 176.519 0.136 0.000 0.744 516 W CA -0.615 56.754 57.345 0.040 0.000 1.695 516 W CB -0.907 28.568 29.460 0.024 0.000 1.820 516 W HN -0.003 nan 8.180 nan 0.000 0.262 517 S N 0.928 116.803 115.700 0.292 0.000 2.368 517 S HA -0.113 4.358 4.470 0.001 0.000 0.224 517 S C 1.337 176.129 174.600 0.321 0.000 1.029 517 S CA 0.986 59.343 58.200 0.262 0.000 0.988 517 S CB -0.069 63.214 63.200 0.138 0.000 0.838 517 S HN 0.407 nan 8.310 nan 0.000 0.462 518 S N 1.630 117.498 115.700 0.279 0.000 2.617 518 S HA 0.359 4.829 4.470 0.001 0.000 0.269 518 S C 0.893 175.712 174.600 0.364 0.000 1.292 518 S CA -0.743 57.590 58.200 0.222 0.000 1.010 518 S CB 0.880 64.173 63.200 0.156 0.000 0.944 518 S HN 0.137 nan 8.310 nan 0.000 0.536 519 L N 0.979 122.355 121.223 0.255 0.000 2.131 519 L HA -0.018 4.323 4.340 0.001 0.000 0.210 519 L C 2.419 179.510 176.870 0.369 0.000 1.092 519 L CA 2.186 57.273 54.840 0.413 0.000 0.759 519 L CB -1.174 40.986 42.059 0.168 0.000 0.903 519 L HN 1.030 nan 8.230 nan 0.000 0.435 520 E N -0.552 119.788 120.200 0.234 0.000 2.038 520 E HA -0.276 4.075 4.350 0.001 0.000 0.195 520 E C 1.642 178.351 176.600 0.183 0.000 1.000 520 E CA 1.828 58.335 56.400 0.179 0.000 0.803 520 E CB -0.093 29.682 29.700 0.124 0.000 0.750 520 E HN 0.555 nan 8.360 nan 0.000 0.448 521 D N -0.122 120.412 120.400 0.223 0.000 2.178 521 D HA -0.143 4.497 4.640 0.001 0.000 0.202 521 D C 1.793 178.222 176.300 0.214 0.000 0.974 521 D CA 0.885 55.028 54.000 0.237 0.000 0.841 521 D CB -0.183 40.810 40.800 0.323 0.000 0.953 521 D HN 0.201 nan 8.370 nan 0.000 0.478 522 M N 0.718 120.514 119.600 0.326 0.000 2.099 522 M HA -0.107 4.373 4.480 0.001 0.000 0.262 522 M C 1.165 177.557 176.300 0.154 0.000 1.067 522 M CA 1.479 56.962 55.300 0.305 0.000 1.124 522 M CB -0.273 32.628 32.600 0.502 0.000 1.353 522 M HN -0.232 nan 8.290 nan 0.000 0.410 523 D N 0.085 120.632 120.400 0.246 0.000 2.149 523 D HA -0.215 4.425 4.640 0.001 0.000 0.198 523 D C 1.889 178.147 176.300 -0.070 0.000 0.990 523 D CA 1.338 55.413 54.000 0.126 0.000 0.839 523 D CB -0.289 40.634 40.800 0.206 0.000 0.948 523 D HN 0.498 nan 8.370 nan 0.000 0.460 524 K N -0.471 119.866 120.400 -0.105 0.000 2.228 524 K HA -0.106 4.215 4.320 0.001 0.000 0.202 524 K C 1.243 177.534 176.600 -0.515 0.000 1.051 524 K CA 0.976 57.098 56.287 -0.275 0.000 0.960 524 K CB 0.116 32.452 32.500 -0.275 0.000 0.743 524 K HN 0.202 nan 8.250 nan 0.000 0.458 525 H N -1.072 117.673 119.070 -0.542 0.000 2.729 525 H HA 0.189 4.746 4.556 0.001 0.000 0.263 525 H C -0.593 174.352 175.328 -0.638 0.000 0.961 525 H CA -0.392 55.159 56.048 -0.829 0.000 1.217 525 H CB 0.581 29.142 29.762 -2.001 0.000 1.447 525 H HN -0.021 nan 8.280 nan 0.000 0.496 526 L N 2.282 123.292 121.223 -0.355 0.000 2.350 526 L HA 0.302 4.643 4.340 0.001 0.000 0.275 526 L C -2.200 174.493 176.870 -0.295 0.000 1.099 526 L CA -2.117 52.560 54.840 -0.272 0.000 0.808 526 L CB 0.801 42.677 42.059 -0.305 0.000 1.149 526 L HN -0.044 nan 8.230 nan 0.000 0.442 527 P HA 0.230 nan 4.420 nan 0.000 0.282 527 P C 0.289 177.412 177.300 -0.294 0.000 1.249 527 P CA -0.420 62.541 63.100 -0.232 0.000 0.806 527 P CB 0.939 32.535 31.700 -0.175 0.000 0.984 528 S N 1.234 116.780 115.700 -0.257 0.000 2.387 528 S HA -0.179 4.292 4.470 0.001 0.000 0.230 528 S C 2.162 176.612 174.600 -0.250 0.000 1.035 528 S CA 1.575 59.615 58.200 -0.266 0.000 1.014 528 S CB -1.850 61.240 63.200 -0.184 0.000 0.836 528 S HN 0.560 nan 8.310 nan 0.000 0.466 529 G N 2.008 110.685 108.800 -0.205 0.000 2.446 529 G HA2 -0.113 3.847 3.960 0.001 0.000 0.217 529 G HA3 -0.113 3.847 3.960 0.001 0.000 0.217 529 G C 1.455 176.220 174.900 -0.226 0.000 1.168 529 G CA 1.101 46.091 45.100 -0.183 0.000 0.771 529 G HN 0.567 nan 8.290 nan 0.000 0.551 530 I N 0.221 120.628 120.570 -0.272 0.000 2.252 530 I HA -0.119 4.052 4.170 0.001 0.000 0.245 530 I C 2.817 178.696 176.117 -0.398 0.000 1.102 530 I CA 1.119 62.224 61.300 -0.324 0.000 1.385 530 I CB -0.265 37.552 38.000 -0.304 0.000 1.064 530 I HN 0.170 nan 8.210 nan 0.000 0.414 531 K N 0.789 120.869 120.400 -0.534 0.000 2.063 531 K HA -0.193 4.127 4.320 0.001 0.000 0.208 531 K C 2.249 178.675 176.600 -0.290 0.000 1.048 531 K CA 1.514 57.354 56.287 -0.745 0.000 0.928 531 K CB -0.176 31.635 32.500 -1.149 0.000 0.713 531 K HN 0.260 nan 8.250 nan 0.000 0.442 532 R N 0.053 120.415 120.500 -0.229 0.000 2.092 532 R HA -0.065 4.276 4.340 0.001 0.000 0.231 532 R C 2.392 178.630 176.300 -0.103 0.000 1.119 532 R CA 1.659 57.693 56.100 -0.109 0.000 0.970 532 R CB -0.388 29.851 30.300 -0.102 0.000 0.864 532 R HN 0.169 nan 8.270 nan 0.000 0.440 533 T N 1.131 115.591 114.554 -0.156 0.000 2.737 533 T HA -0.061 4.290 4.350 0.001 0.000 0.265 533 T C 1.876 176.487 174.700 -0.148 0.000 1.038 533 T CA 1.126 63.139 62.100 -0.146 0.000 1.144 533 T CB -0.149 68.605 68.868 -0.191 0.000 0.866 533 T HN 0.104 nan 8.240 nan 0.000 0.434 534 I N 1.432 121.874 120.570 -0.212 0.000 2.118 534 I HA -0.256 3.914 4.170 0.001 0.000 0.241 534 I C 2.926 178.870 176.117 -0.289 0.000 1.070 534 I CA 1.471 62.613 61.300 -0.264 0.000 1.327 534 I CB -0.498 37.271 38.000 -0.385 0.000 1.034 534 I HN 0.210 nan 8.210 nan 0.000 0.405 535 A N 0.693 123.375 122.820 -0.231 0.000 1.873 535 A HA -0.192 4.129 4.320 0.001 0.000 0.215 535 A C 2.085 179.705 177.584 0.060 0.000 1.186 535 A CA 1.812 53.819 52.037 -0.051 0.000 0.616 535 A CB -0.701 18.387 19.000 0.147 0.000 0.823 535 A HN 0.427 nan 8.150 nan 0.000 0.442 536 N N 0.014 118.728 118.700 0.024 0.000 2.223 536 N HA -0.093 4.648 4.740 0.001 0.000 0.185 536 N C 1.154 176.684 175.510 0.033 0.000 1.016 536 N CA 1.150 54.219 53.050 0.031 0.000 0.863 536 N CB -0.206 38.284 38.487 0.006 0.000 0.983 536 N HN 0.530 nan 8.380 nan 0.000 0.429 537 K N 0.975 121.385 120.400 0.017 0.000 2.417 537 K HA 0.134 4.455 4.320 0.001 0.000 0.196 537 K C -0.204 176.442 176.600 0.077 0.000 1.023 537 K CA -0.049 56.258 56.287 0.032 0.000 1.122 537 K CB 0.330 32.833 32.500 0.006 0.000 0.850 537 K HN 0.059 nan 8.250 nan 0.000 0.521 538 K N 1.366 121.835 120.400 0.115 0.000 3.071 538 K HA -0.187 4.134 4.320 0.001 0.000 0.262 538 K C -0.426 176.307 176.600 0.222 0.000 0.977 538 K CA 0.380 56.785 56.287 0.196 0.000 0.721 538 K CB -1.760 30.826 32.500 0.143 0.000 1.293 538 K HN 0.269 nan 8.250 nan 0.000 0.475 539 L N 0.844 122.192 121.223 0.208 0.000 2.439 539 L HA 0.122 4.462 4.340 0.001 0.000 0.269 539 L C 0.841 177.941 176.870 0.382 0.000 1.179 539 L CA -0.099 54.886 54.840 0.241 0.000 0.828 539 L CB 0.390 42.554 42.059 0.175 0.000 1.106 539 L HN 0.058 nan 8.230 nan 0.000 0.467 540 K N 2.901 123.520 120.400 0.365 0.000 2.250 540 K HA 0.237 4.557 4.320 0.001 0.000 0.285 540 K C -0.789 176.114 176.600 0.505 0.000 1.097 540 K CA -0.270 56.240 56.287 0.372 0.000 0.913 540 K CB 0.393 33.129 32.500 0.394 0.000 1.179 540 K HN 0.209 nan 8.250 nan 0.000 0.462 541 F N 3.714 123.822 119.950 0.263 0.000 2.404 541 F HA 0.313 4.841 4.527 0.001 0.000 0.345 541 F C -1.046 174.798 175.800 0.073 0.000 1.110 541 F CA -1.169 56.987 58.000 0.261 0.000 1.130 541 F CB 0.449 39.650 39.000 0.336 0.000 1.129 541 F HN 0.323 nan 8.300 nan 0.000 0.500 542 Y N 4.096 124.208 120.300 -0.313 0.000 2.361 542 Y HA 0.317 4.868 4.550 0.001 0.000 0.337 542 Y C -0.376 175.132 175.900 -0.653 0.000 0.965 542 Y CA -1.162 56.703 58.100 -0.393 0.000 1.091 542 Y CB 1.650 40.040 38.460 -0.117 0.000 1.182 542 Y HN 0.608 nan 8.280 nan 0.000 0.450 543 N N 2.630 121.100 118.700 -0.383 0.000 2.362 543 N HA 0.662 5.403 4.740 0.001 0.000 0.298 543 N C -1.937 173.522 175.510 -0.084 0.000 1.048 543 N CA -0.500 52.373 53.050 -0.296 0.000 0.858 543 N CB 1.204 39.534 38.487 -0.261 0.000 1.218 543 N HN 0.644 nan 8.380 nan 0.000 0.488 544 I N 1.936 122.454 120.570 -0.087 0.000 2.534 544 I HA 0.280 4.451 4.170 0.001 0.000 0.288 544 I C -1.180 174.886 176.117 -0.083 0.000 1.077 544 I CA -0.593 60.679 61.300 -0.047 0.000 1.051 544 I CB 1.646 39.635 38.000 -0.019 0.000 1.234 544 I HN 0.517 nan 8.210 nan 0.000 0.425 545 D N 6.667 127.025 120.400 -0.070 0.000 2.551 545 D HA 0.279 4.920 4.640 0.001 0.000 0.223 545 D C 1.128 177.380 176.300 -0.080 0.000 1.144 545 D CA 0.476 54.418 54.000 -0.096 0.000 1.025 545 D CB 0.967 41.724 40.800 -0.070 0.000 1.085 545 D HN 0.687 nan 8.370 nan 0.000 0.506 546 A N 2.400 125.166 122.820 -0.091 0.000 1.940 546 A HA -0.169 4.152 4.320 0.001 0.000 0.219 546 A C 2.290 179.832 177.584 -0.070 0.000 1.176 546 A CA 1.259 53.251 52.037 -0.076 0.000 0.631 546 A CB -0.342 18.605 19.000 -0.090 0.000 0.814 546 A HN 0.431 nan 8.150 nan 0.000 0.446 547 V N 0.364 120.230 119.914 -0.081 0.000 2.295 547 V HA -0.284 3.837 4.120 0.001 0.000 0.246 547 V C 2.557 178.619 176.094 -0.053 0.000 1.049 547 V CA 2.404 64.664 62.300 -0.067 0.000 1.024 547 V CB -0.690 31.087 31.823 -0.075 0.000 0.648 547 V HN 0.741 nan 8.190 nan 0.000 0.447 548 K N 0.133 120.500 120.400 -0.054 0.000 2.057 548 K HA -0.175 4.146 4.320 0.001 0.000 0.207 548 K C 2.129 178.708 176.600 -0.034 0.000 1.049 548 K CA 1.867 58.130 56.287 -0.039 0.000 0.931 548 K CB -0.266 32.213 32.500 -0.035 0.000 0.714 548 K HN 0.427 nan 8.250 nan 0.000 0.440 549 I N 1.177 121.725 120.570 -0.037 0.000 2.179 549 I HA -0.257 3.914 4.170 0.001 0.000 0.242 549 I C 2.562 178.657 176.117 -0.037 0.000 1.088 549 I CA 1.229 62.509 61.300 -0.033 0.000 1.357 549 I CB -0.424 37.558 38.000 -0.030 0.000 1.051 549 I HN 0.285 nan 8.210 nan 0.000 0.409 550 A N 0.185 122.979 122.820 -0.042 0.000 1.940 550 A HA -0.223 4.098 4.320 0.001 0.000 0.219 550 A C 2.363 179.923 177.584 -0.040 0.000 1.176 550 A CA 2.529 54.539 52.037 -0.045 0.000 0.631 550 A CB -1.060 17.914 19.000 -0.044 0.000 0.814 550 A HN 0.406 nan 8.150 nan 0.000 0.446 551 T N 0.038 114.571 114.554 -0.035 0.000 2.857 551 T HA -0.090 4.261 4.350 0.001 0.000 0.266 551 T C 1.435 176.118 174.700 -0.028 0.000 1.048 551 T CA 1.374 63.457 62.100 -0.029 0.000 1.139 551 T CB -0.344 68.509 68.868 -0.025 0.000 0.874 551 T HN 0.483 nan 8.240 nan 0.000 0.455 552 D N 1.330 121.714 120.400 -0.027 0.000 2.178 552 D HA -0.067 4.574 4.640 0.001 0.000 0.202 552 D C 2.159 178.442 176.300 -0.029 0.000 0.974 552 D CA 0.951 54.936 54.000 -0.025 0.000 0.841 552 D CB -0.334 40.453 40.800 -0.022 0.000 0.953 552 D HN 0.446 nan 8.370 nan 0.000 0.478 553 V N -2.899 116.993 119.914 -0.037 0.000 3.623 553 V HA 0.427 4.547 4.120 0.001 0.000 0.271 553 V C 1.431 177.495 176.094 -0.049 0.000 1.248 553 V CA 0.706 62.979 62.300 -0.045 0.000 1.156 553 V CB -0.192 31.598 31.823 -0.056 0.000 0.870 553 V HN 0.230 nan 8.190 nan 0.000 0.453 554 G N 0.713 109.487 108.800 -0.042 0.000 2.141 554 G HA2 -0.230 3.731 3.960 0.001 0.000 0.231 554 G HA3 -0.230 3.731 3.960 0.001 0.000 0.231 554 G C 0.328 175.201 174.900 -0.045 0.000 0.984 554 G CA 0.315 45.391 45.100 -0.041 0.000 0.660 554 G HN 0.536 nan 8.290 nan 0.000 0.525 555 L N 0.786 121.978 121.223 -0.051 0.000 2.629 555 L HA 0.375 4.716 4.340 0.001 0.000 0.230 555 L C 1.978 178.827 176.870 -0.034 0.000 1.151 555 L CA 0.395 55.204 54.840 -0.052 0.000 0.924 555 L CB -0.204 41.815 42.059 -0.067 0.000 1.137 555 L HN 0.782 nan 8.230 nan 0.000 0.457 556 G N 0.726 109.508 108.800 -0.029 0.000 2.393 556 G HA2 -0.217 3.743 3.960 0.001 0.000 0.299 556 G HA3 -0.217 3.743 3.960 0.001 0.000 0.299 556 G C 1.083 175.970 174.900 -0.021 0.000 0.990 556 G CA 0.516 45.603 45.100 -0.022 0.000 1.118 556 G HN 0.674 nan 8.290 nan 0.000 0.513 557 G N -1.203 107.581 108.800 -0.027 0.000 2.234 557 G HA2 -0.314 3.647 3.960 0.001 0.000 0.260 557 G HA3 -0.314 3.647 3.960 0.001 0.000 0.260 557 G C 0.717 175.601 174.900 -0.027 0.000 0.987 557 G CA 0.662 45.745 45.100 -0.028 0.000 0.625 557 G HN 0.951 nan 8.290 nan 0.000 0.532 558 R N 0.959 121.446 120.500 -0.022 0.000 2.421 558 R HA 0.295 4.636 4.340 0.001 0.000 0.305 558 R C 1.890 178.174 176.300 -0.026 0.000 1.039 558 R CA 0.433 56.525 56.100 -0.015 0.000 1.003 558 R CB 0.069 30.366 30.300 -0.005 0.000 0.959 558 R HN 0.734 nan 8.270 nan 0.000 0.427 559 I N 0.471 121.024 120.570 -0.028 0.000 3.603 559 I HA -0.067 4.104 4.170 0.001 0.000 0.297 559 I C 1.246 177.333 176.117 -0.050 0.000 1.269 559 I CA 0.208 61.479 61.300 -0.048 0.000 1.361 559 I CB -0.156 37.803 38.000 -0.069 0.000 1.063 559 I HN 0.392 nan 8.210 nan 0.000 0.448 560 N N 2.003 120.693 118.700 -0.017 0.000 2.060 560 N HA -0.313 4.428 4.740 0.001 0.000 0.195 560 N C 1.767 177.283 175.510 0.010 0.000 1.028 560 N CA 2.048 55.100 53.050 0.004 0.000 0.861 560 N CB -0.557 37.954 38.487 0.039 0.000 1.029 560 N HN 0.264 nan 8.380 nan 0.000 0.428 561 M N -0.314 119.287 119.600 0.002 0.000 2.229 561 M HA 0.109 4.589 4.480 0.001 0.000 0.264 561 M C 1.333 177.632 176.300 -0.003 0.000 1.063 561 M CA 1.093 56.390 55.300 -0.005 0.000 1.114 561 M CB -0.302 32.266 32.600 -0.055 0.000 1.387 561 M HN 0.255 nan 8.290 nan 0.000 0.420 562 I N -0.623 119.936 120.570 -0.019 0.000 2.202 562 I HA -0.250 3.921 4.170 0.001 0.000 0.242 562 I C 1.985 178.112 176.117 0.017 0.000 1.091 562 I CA 1.182 62.475 61.300 -0.011 0.000 1.368 562 I CB -0.647 37.332 38.000 -0.035 0.000 1.058 562 I HN 0.223 nan 8.210 nan 0.000 0.410 563 M N -0.448 119.132 119.600 -0.033 0.000 2.296 563 M HA -0.154 4.327 4.480 0.001 0.000 0.265 563 M C 2.250 178.673 176.300 0.205 0.000 1.064 563 M CA 1.343 56.625 55.300 -0.030 0.000 1.109 563 M CB -1.337 30.959 32.600 -0.508 0.000 1.396 563 M HN 0.286 nan 8.290 nan 0.000 0.430 564 Q N 0.309 120.222 119.800 0.187 0.000 2.083 564 Q HA -0.073 4.268 4.340 0.001 0.000 0.198 564 Q C 1.811 178.064 176.000 0.422 0.000 0.969 564 Q CA 2.110 58.108 55.803 0.325 0.000 0.838 564 Q CB -0.296 28.567 28.738 0.208 0.000 0.900 564 Q HN 0.444 nan 8.270 nan 0.000 0.436 565 T N 0.389 115.077 114.554 0.224 0.000 2.788 565 T HA -0.116 4.235 4.350 0.001 0.000 0.268 565 T C 1.713 176.542 174.700 0.216 0.000 1.044 565 T CA 1.257 63.463 62.100 0.177 0.000 1.139 565 T CB -0.574 68.335 68.868 0.068 0.000 0.867 565 T HN 0.477 nan 8.240 nan 0.000 0.454 566 A N 1.178 124.130 122.820 0.219 0.000 1.908 566 A HA -0.063 4.258 4.320 0.001 0.000 0.218 566 A C 2.010 179.743 177.584 0.248 0.000 1.181 566 A CA 1.559 53.722 52.037 0.210 0.000 0.627 566 A CB -0.966 18.182 19.000 0.246 0.000 0.818 566 A HN 0.519 nan 8.150 nan 0.000 0.445 567 F N -0.482 119.598 119.950 0.217 0.000 2.075 567 F HA -0.131 4.397 4.527 0.001 0.000 0.297 567 F C 1.923 177.620 175.800 -0.172 0.000 1.113 567 F CA 1.724 59.679 58.000 -0.075 0.000 1.218 567 F CB -0.547 38.528 39.000 0.125 0.000 0.984 567 F HN 0.192 nan 8.300 nan 0.000 0.472 568 F N 0.964 120.786 119.950 -0.214 0.000 2.161 568 F HA -0.170 4.358 4.527 0.001 0.000 0.300 568 F C 2.617 178.240 175.800 -0.294 0.000 1.089 568 F CA 2.073 59.874 58.000 -0.332 0.000 1.282 568 F CB -0.547 38.399 39.000 -0.089 0.000 1.010 568 F HN -0.035 nan 8.300 nan 0.000 0.485 569 K N 0.292 120.703 120.400 0.019 0.000 2.116 569 K HA -0.039 4.281 4.320 0.001 0.000 0.203 569 K C 1.547 178.127 176.600 -0.034 0.000 1.052 569 K CA 1.096 57.413 56.287 0.051 0.000 0.952 569 K CB 0.015 32.592 32.500 0.129 0.000 0.729 569 K HN 0.296 nan 8.250 nan 0.000 0.446 570 L N -0.652 120.494 121.223 -0.129 0.000 2.638 570 L HA 0.277 4.617 4.340 0.001 0.000 0.232 570 L C 2.019 178.811 176.870 -0.131 0.000 1.099 570 L CA 0.122 54.892 54.840 -0.116 0.000 0.883 570 L CB 0.305 42.267 42.059 -0.162 0.000 1.136 570 L HN 0.031 nan 8.230 nan 0.000 0.492 571 A N 0.595 123.130 122.820 -0.476 0.000 2.121 571 A HA 0.160 4.481 4.320 0.001 0.000 0.218 571 A C 1.918 179.336 177.584 -0.277 0.000 1.154 571 A CA 1.066 52.766 52.037 -0.562 0.000 0.679 571 A CB -0.652 17.610 19.000 -1.229 0.000 0.795 571 A HN 0.543 nan 8.150 nan 0.000 0.458 572 G N -2.216 106.441 108.800 -0.238 0.000 2.143 572 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 572 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 572 G C 0.814 175.618 174.900 -0.161 0.000 0.991 572 G CA 0.572 45.598 45.100 -0.125 0.000 0.689 572 G HN 0.689 nan 8.290 nan 0.000 0.522 573 V N -0.417 119.306 119.914 -0.319 0.000 2.500 573 V HA 0.340 4.461 4.120 0.001 0.000 0.243 573 V C 1.530 177.473 176.094 -0.251 0.000 1.039 573 V CA 1.735 63.840 62.300 -0.324 0.000 1.053 573 V CB -0.073 31.378 31.823 -0.619 0.000 0.695 573 V HN 0.387 nan 8.190 nan 0.000 0.463 574 L N 0.663 121.729 121.223 -0.262 0.000 2.323 574 L HA 0.515 4.856 4.340 0.001 0.000 0.265 574 L C -2.486 174.338 176.870 -0.077 0.000 1.012 574 L CA -1.816 52.936 54.840 -0.147 0.000 0.820 574 L CB 1.895 43.875 42.059 -0.132 0.000 1.334 574 L HN 0.044 nan 8.230 nan 0.000 0.427 575 P HA 0.105 nan 4.420 nan 0.000 0.282 575 P C 0.571 177.904 177.300 0.055 0.000 1.249 575 P CA -0.440 62.678 63.100 0.031 0.000 0.806 575 P CB 0.974 32.695 31.700 0.035 0.000 0.984 576 F N 2.307 122.245 119.950 -0.019 0.000 2.048 576 F HA -0.303 4.225 4.527 0.001 0.000 0.296 576 F C 2.142 177.944 175.800 0.003 0.000 1.109 576 F CA 2.160 60.156 58.000 -0.007 0.000 1.214 576 F CB -0.256 38.742 39.000 -0.003 0.000 0.963 576 F HN 0.418 nan 8.300 nan 0.000 0.491 577 E N -0.214 119.972 120.200 -0.024 0.000 2.077 577 E HA -0.268 4.083 4.350 0.001 0.000 0.193 577 E C 2.219 178.719 176.600 -0.166 0.000 0.989 577 E CA 1.415 57.733 56.400 -0.137 0.000 0.800 577 E CB -0.219 29.512 29.700 0.051 0.000 0.746 577 E HN 0.418 nan 8.360 nan 0.000 0.452 578 K N 0.479 120.826 120.400 -0.087 0.000 2.057 578 K HA -0.122 4.199 4.320 0.001 0.000 0.206 578 K C 2.115 178.670 176.600 -0.075 0.000 1.050 578 K CA 1.041 57.290 56.287 -0.063 0.000 0.935 578 K CB -0.077 32.406 32.500 -0.028 0.000 0.715 578 K HN 0.074 nan 8.250 nan 0.000 0.439 579 A N 0.658 123.425 122.820 -0.089 0.000 1.865 579 A HA -0.146 4.175 4.320 0.001 0.000 0.217 579 A C 2.220 179.736 177.584 -0.114 0.000 1.191 579 A CA 1.943 53.986 52.037 0.011 0.000 0.623 579 A CB -0.771 18.229 19.000 -0.001 0.000 0.826 579 A HN 0.176 nan 8.150 nan 0.000 0.444 580 V N 0.515 120.228 119.914 -0.335 0.000 2.427 580 V HA -0.228 3.893 4.120 0.001 0.000 0.248 580 V C 2.330 178.280 176.094 -0.239 0.000 1.051 580 V CA 2.312 64.403 62.300 -0.350 0.000 1.048 580 V CB -0.922 30.593 31.823 -0.514 0.000 0.666 580 V HN 0.698 nan 8.190 nan 0.000 0.456 581 D N 0.613 120.898 120.400 -0.193 0.000 2.087 581 D HA -0.184 4.456 4.640 0.001 0.000 0.192 581 D C 2.041 178.280 176.300 -0.102 0.000 0.993 581 D CA 1.723 55.653 54.000 -0.117 0.000 0.828 581 D CB -0.280 40.469 40.800 -0.085 0.000 0.968 581 D HN 0.340 nan 8.370 nan 0.000 0.448 582 L N 0.091 121.259 121.223 -0.091 0.000 2.127 582 L HA -0.132 4.209 4.340 0.001 0.000 0.211 582 L C 2.705 179.467 176.870 -0.181 0.000 1.089 582 L CA 0.473 55.270 54.840 -0.072 0.000 0.757 582 L CB -0.386 41.687 42.059 0.024 0.000 0.899 582 L HN 0.254 nan 8.230 nan 0.000 0.434 583 L N -0.296 120.714 121.223 -0.355 0.000 2.005 583 L HA -0.195 4.146 4.340 0.001 0.000 0.207 583 L C 2.808 179.520 176.870 -0.264 0.000 1.072 583 L CA 1.347 55.871 54.840 -0.526 0.000 0.744 583 L CB -0.234 41.421 42.059 -0.673 0.000 0.895 583 L HN 0.226 nan 8.230 nan 0.000 0.433 584 K N 0.062 120.352 120.400 -0.183 0.000 2.103 584 K HA -0.178 4.143 4.320 0.001 0.000 0.207 584 K C 1.988 178.594 176.600 0.011 0.000 1.048 584 K CA 1.047 57.278 56.287 -0.093 0.000 0.930 584 K CB -0.289 32.185 32.500 -0.043 0.000 0.716 584 K HN 0.291 nan 8.250 nan 0.000 0.444 585 K N 0.916 121.321 120.400 0.009 0.000 2.009 585 K HA -0.127 4.194 4.320 0.001 0.000 0.210 585 K C 2.334 178.967 176.600 0.056 0.000 1.049 585 K CA 1.861 58.182 56.287 0.057 0.000 0.929 585 K CB -0.671 31.832 32.500 0.004 0.000 0.714 585 K HN 0.296 nan 8.250 nan 0.000 0.440 586 S N 1.294 116.988 115.700 -0.009 0.000 2.383 586 S HA -0.128 4.343 4.470 0.001 0.000 0.229 586 S C 2.209 176.824 174.600 0.025 0.000 1.030 586 S CA 1.083 59.282 58.200 -0.002 0.000 1.002 586 S CB -0.657 62.522 63.200 -0.035 0.000 0.829 586 S HN 0.249 nan 8.310 nan 0.000 0.467 587 I N 1.284 121.853 120.570 -0.003 0.000 2.335 587 I HA -0.198 3.973 4.170 0.001 0.000 0.251 587 I C 2.794 178.923 176.117 0.020 0.000 1.129 587 I CA 1.587 62.905 61.300 0.030 0.000 1.402 587 I CB -0.506 37.409 38.000 -0.141 0.000 1.069 587 I HN 0.420 nan 8.210 nan 0.000 0.424 588 H N 0.513 119.608 119.070 0.040 0.000 2.436 588 H HA -0.090 4.467 4.556 0.001 0.000 0.294 588 H C 2.170 177.514 175.328 0.027 0.000 1.048 588 H CA 1.054 57.120 56.048 0.031 0.000 1.353 588 H CB 0.059 29.820 29.762 -0.002 0.000 1.414 588 H HN 0.336 nan 8.280 nan 0.000 0.536 589 K N 1.282 121.756 120.400 0.123 0.000 1.973 589 K HA -0.006 4.315 4.320 0.001 0.000 0.210 589 K C 1.133 177.742 176.600 0.015 0.000 1.045 589 K CA 0.792 57.110 56.287 0.052 0.000 0.937 589 K CB -0.015 32.499 32.500 0.024 0.000 0.721 589 K HN 0.093 nan 8.250 nan 0.000 0.438 590 A N 0.258 123.068 122.820 -0.016 0.000 2.346 590 A HA 0.267 4.588 4.320 0.001 0.000 0.255 590 A C -0.393 177.149 177.584 -0.071 0.000 1.113 590 A CA -0.060 51.888 52.037 -0.148 0.000 0.798 590 A CB -0.376 18.469 19.000 -0.258 0.000 1.073 590 A HN 0.456 nan 8.150 nan 0.000 0.502 591 Y N -1.511 118.767 120.300 -0.037 0.000 2.744 591 Y HA -0.223 4.327 4.550 0.001 0.000 0.408 591 Y C 2.082 177.968 175.900 -0.023 0.000 1.102 591 Y CA 1.473 59.549 58.100 -0.041 0.000 2.076 591 Y CB -1.538 36.880 38.460 -0.070 0.000 1.106 591 Y HN 2.204 nan 8.280 nan 0.000 0.668 592 G N -0.844 108.062 108.800 0.178 0.000 2.623 592 G HA2 -0.478 3.483 3.960 0.001 0.000 0.241 592 G HA3 -0.478 3.483 3.960 0.001 0.000 0.241 592 G C 1.024 175.968 174.900 0.073 0.000 1.114 592 G CA 1.245 46.414 45.100 0.116 0.000 0.682 592 G HN 0.830 nan 8.290 nan 0.000 0.524 593 K N 0.868 121.299 120.400 0.052 0.000 2.476 593 K HA 0.249 4.570 4.320 0.001 0.000 0.196 593 K C 1.099 177.715 176.600 0.027 0.000 1.025 593 K CA 0.475 56.774 56.287 0.021 0.000 1.138 593 K CB -0.105 32.391 32.500 -0.008 0.000 0.860 593 K HN 0.362 nan 8.250 nan 0.000 0.515 594 K N 0.189 120.623 120.400 0.057 0.000 2.706 594 K HA 0.172 4.493 4.320 0.001 0.000 0.203 594 K C -0.554 176.075 176.600 0.048 0.000 1.102 594 K CA 0.064 56.386 56.287 0.058 0.000 1.058 594 K CB 1.640 34.200 32.500 0.099 0.000 0.779 594 K HN 0.281 nan 8.250 nan 0.000 0.483 595 G N 1.558 110.382 108.800 0.039 0.000 2.692 595 G HA2 -0.200 3.761 3.960 0.001 0.000 0.686 595 G HA3 -0.200 3.761 3.960 0.001 0.000 0.686 595 G C -0.043 174.872 174.900 0.025 0.000 1.243 595 G CA -0.760 44.355 45.100 0.026 0.000 0.782 595 G HN 0.187 nan 8.290 nan 0.000 0.625 596 E N 0.079 120.292 120.200 0.021 0.000 2.347 596 E HA 0.023 4.374 4.350 0.001 0.000 0.196 596 E C 2.321 178.915 176.600 -0.010 0.000 1.008 596 E CA 1.215 57.627 56.400 0.020 0.000 0.852 596 E CB 0.098 29.815 29.700 0.029 0.000 0.783 596 E HN 0.576 nan 8.360 nan 0.000 0.505 597 K N 0.551 120.942 120.400 -0.014 0.000 2.031 597 K HA -0.083 4.237 4.320 0.001 0.000 0.205 597 K C 1.746 178.311 176.600 -0.058 0.000 1.049 597 K CA 0.911 57.180 56.287 -0.030 0.000 0.939 597 K CB 0.055 32.543 32.500 -0.021 0.000 0.717 597 K HN 0.053 nan 8.250 nan 0.000 0.438 598 I N 1.300 121.837 120.570 -0.055 0.000 2.286 598 I HA -0.220 3.951 4.170 0.001 0.000 0.248 598 I C 2.340 178.339 176.117 -0.196 0.000 1.115 598 I CA 1.004 62.245 61.300 -0.099 0.000 1.392 598 I CB -0.789 37.194 38.000 -0.029 0.000 1.065 598 I HN 0.031 nan 8.210 nan 0.000 0.418 599 V N 1.412 121.240 119.914 -0.144 0.000 2.295 599 V HA -0.279 3.842 4.120 0.001 0.000 0.246 599 V C 2.606 178.564 176.094 -0.226 0.000 1.049 599 V CA 2.052 64.225 62.300 -0.213 0.000 1.024 599 V CB -0.728 31.015 31.823 -0.134 0.000 0.648 599 V HN 0.333 nan 8.190 nan 0.000 0.447 600 K N 0.251 120.569 120.400 -0.136 0.000 2.147 600 K HA -0.112 4.209 4.320 0.001 0.000 0.205 600 K C 1.966 178.491 176.600 -0.126 0.000 1.049 600 K CA 1.776 57.998 56.287 -0.108 0.000 0.936 600 K CB -0.446 32.020 32.500 -0.057 0.000 0.722 600 K HN 0.406 nan 8.250 nan 0.000 0.446 601 M N 0.100 119.615 119.600 -0.142 0.000 2.117 601 M HA -0.130 4.351 4.480 0.001 0.000 0.262 601 M C 1.467 177.658 176.300 -0.181 0.000 1.065 601 M CA 1.969 57.185 55.300 -0.141 0.000 1.114 601 M CB -0.404 32.114 32.600 -0.137 0.000 1.361 601 M HN 0.219 nan 8.290 nan 0.000 0.408 602 N N -0.410 118.126 118.700 -0.272 0.000 2.300 602 N HA -0.100 4.641 4.740 0.001 0.000 0.179 602 N C 1.669 177.045 175.510 -0.223 0.000 1.016 602 N CA 1.809 54.676 53.050 -0.306 0.000 0.876 602 N CB -0.175 37.990 38.487 -0.537 0.000 0.979 602 N HN 0.421 nan 8.380 nan 0.000 0.432 603 T N -1.721 112.708 114.554 -0.210 0.000 2.904 603 T HA -0.023 4.328 4.350 0.001 0.000 0.267 603 T C 1.134 175.772 174.700 -0.104 0.000 1.059 603 T CA 0.957 62.963 62.100 -0.157 0.000 1.137 603 T CB -0.163 68.618 68.868 -0.145 0.000 0.879 603 T HN -0.027 nan 8.240 nan 0.000 0.467 604 D N 1.894 122.235 120.400 -0.097 0.000 2.178 604 D HA 0.150 4.791 4.640 0.001 0.000 0.202 604 D C 2.411 178.674 176.300 -0.063 0.000 0.974 604 D CA 1.182 55.141 54.000 -0.067 0.000 0.841 604 D CB -0.556 40.207 40.800 -0.062 0.000 0.953 604 D HN 0.538 nan 8.370 nan 0.000 0.478 605 A N 0.496 123.266 122.820 -0.083 0.000 1.877 605 A HA -0.137 4.184 4.320 0.001 0.000 0.216 605 A C 2.486 180.038 177.584 -0.053 0.000 1.186 605 A CA 1.206 53.200 52.037 -0.070 0.000 0.620 605 A CB -0.797 18.148 19.000 -0.091 0.000 0.822 605 A HN 0.132 nan 8.150 nan 0.000 0.443 606 V N 0.706 120.579 119.914 -0.069 0.000 2.287 606 V HA -0.283 3.838 4.120 0.001 0.000 0.248 606 V C 2.266 178.347 176.094 -0.022 0.000 1.053 606 V CA 2.420 64.688 62.300 -0.054 0.000 1.027 606 V CB -0.882 30.886 31.823 -0.090 0.000 0.646 606 V HN 0.501 nan 8.190 nan 0.000 0.447 607 D N -0.574 119.811 120.400 -0.024 0.000 2.092 607 D HA -0.205 4.436 4.640 0.001 0.000 0.193 607 D C 2.217 178.526 176.300 0.014 0.000 0.994 607 D CA 1.622 55.624 54.000 0.002 0.000 0.828 607 D CB -0.323 40.473 40.800 -0.006 0.000 0.963 607 D HN 0.394 nan 8.370 nan 0.000 0.450 608 Q N 0.665 120.465 119.800 -0.001 0.000 2.084 608 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 608 Q C 1.854 177.862 176.000 0.013 0.000 0.978 608 Q CA 1.930 57.735 55.803 0.002 0.000 0.844 608 Q CB -0.544 28.187 28.738 -0.012 0.000 0.898 608 Q HN 0.215 nan 8.270 nan 0.000 0.426 609 A N -0.819 122.008 122.820 0.012 0.000 1.898 609 A HA -0.100 4.221 4.320 0.001 0.000 0.216 609 A C 2.274 179.892 177.584 0.055 0.000 1.181 609 A CA 1.545 53.598 52.037 0.027 0.000 0.620 609 A CB -0.721 18.292 19.000 0.022 0.000 0.819 609 A HN 0.259 nan 8.150 nan 0.000 0.442 610 V N -0.369 119.587 119.914 0.070 0.000 2.358 610 V HA -0.206 3.915 4.120 0.001 0.000 0.246 610 V C 2.736 178.889 176.094 0.098 0.000 1.047 610 V CA 2.418 64.790 62.300 0.120 0.000 1.035 610 V CB -1.151 30.777 31.823 0.176 0.000 0.658 610 V HN 0.596 nan 8.190 nan 0.000 0.452 611 T N -0.143 114.451 114.554 0.068 0.000 2.708 611 T HA -0.166 4.184 4.350 0.001 0.000 0.266 611 T C 1.965 176.689 174.700 0.041 0.000 1.037 611 T CA 2.023 64.150 62.100 0.045 0.000 1.146 611 T CB -0.216 68.668 68.868 0.028 0.000 0.865 611 T HN 0.499 nan 8.240 nan 0.000 0.435 612 S N 0.658 116.383 115.700 0.042 0.000 2.527 612 S HA 0.238 4.709 4.470 0.001 0.000 0.222 612 S C 0.685 175.328 174.600 0.071 0.000 0.985 612 S CA 0.052 58.276 58.200 0.041 0.000 0.921 612 S CB -0.158 63.057 63.200 0.026 0.000 0.772 612 S HN 0.344 nan 8.310 nan 0.000 0.529 613 L N 3.421 124.704 121.223 0.100 0.000 2.401 613 L HA 0.221 4.562 4.340 0.001 0.000 0.283 613 L C -0.154 176.876 176.870 0.267 0.000 1.151 613 L CA -0.085 54.860 54.840 0.174 0.000 0.942 613 L CB 0.021 42.149 42.059 0.115 0.000 1.283 613 L HN 0.120 nan 8.230 nan 0.000 0.442 614 Q N 2.061 122.002 119.800 0.234 0.000 2.413 614 Q HA 0.397 4.738 4.340 0.001 0.000 0.276 614 Q C -0.516 175.414 176.000 -0.117 0.000 1.099 614 Q CA -0.800 55.072 55.803 0.114 0.000 0.814 614 Q CB 2.036 30.779 28.738 0.008 0.000 1.379 614 Q HN 0.390 nan 8.270 nan 0.000 0.436 615 E N 0.889 120.858 120.200 -0.384 0.000 2.442 615 E HA 0.015 4.366 4.350 0.001 0.000 0.262 615 E C -0.791 175.622 176.600 -0.311 0.000 1.004 615 E CA 0.225 56.238 56.400 -0.644 0.000 0.928 615 E CB 0.490 29.908 29.700 -0.470 0.000 0.937 615 E HN 0.314 nan 8.360 nan 0.000 0.446 616 F N 3.489 123.206 119.950 -0.389 0.000 2.424 616 F HA 0.126 4.654 4.527 0.001 0.000 0.356 616 F C 0.080 175.798 175.800 -0.138 0.000 1.110 616 F CA -0.770 57.096 58.000 -0.224 0.000 1.161 616 F CB 0.543 39.361 39.000 -0.302 0.000 1.115 616 F HN 0.050 nan 8.300 nan 0.000 0.507 617 K N 8.057 128.160 120.400 -0.495 0.000 2.273 617 K HA 0.093 4.414 4.320 0.001 0.000 0.287 617 K C -1.076 175.270 176.600 -0.423 0.000 1.089 617 K CA -0.174 55.841 56.287 -0.454 0.000 0.909 617 K CB 0.001 32.251 32.500 -0.417 0.000 1.123 617 K HN 0.611 nan 8.250 nan 0.000 0.473 618 Y N 1.462 121.627 120.300 -0.225 0.000 2.361 618 Y HA 0.580 5.131 4.550 0.001 0.000 0.332 618 Y C -2.137 173.462 175.900 -0.501 0.000 1.101 618 Y CA -3.318 54.431 58.100 -0.586 0.000 1.137 618 Y CB -0.096 37.810 38.460 -0.924 0.000 1.207 618 Y HN 0.373 nan 8.280 nan 0.000 0.463 619 P HA 0.078 nan 4.420 nan 0.000 0.274 619 P C -0.404 176.903 177.300 0.011 0.000 1.237 619 P CA -0.119 62.876 63.100 -0.175 0.000 0.793 619 P CB 1.567 33.199 31.700 -0.114 0.000 0.977 620 D N 0.360 120.793 120.400 0.055 0.000 2.264 620 D HA -0.136 4.505 4.640 0.001 0.000 0.208 620 D C 1.671 178.070 176.300 0.166 0.000 0.966 620 D CA 1.292 55.369 54.000 0.128 0.000 0.864 620 D CB -0.093 40.751 40.800 0.073 0.000 0.933 620 D HN 0.324 nan 8.370 nan 0.000 0.499 621 S N -1.033 114.763 115.700 0.160 0.000 2.537 621 S HA -0.138 4.333 4.470 0.001 0.000 0.240 621 S C 1.559 176.343 174.600 0.306 0.000 0.981 621 S CA 0.030 58.344 58.200 0.190 0.000 0.948 621 S CB -0.624 62.674 63.200 0.164 0.000 0.759 621 S HN 0.351 nan 8.310 nan 0.000 0.531 622 W N 2.496 123.841 121.300 0.074 0.000 2.425 622 W HA 0.218 4.879 4.660 0.001 0.000 0.277 622 W C 2.102 178.615 176.519 -0.009 0.000 1.231 622 W CA -0.326 57.037 57.345 0.030 0.000 1.248 622 W CB -0.493 28.986 29.460 0.031 0.000 1.117 622 W HN 0.330 nan 8.180 nan 0.000 0.568 623 K N -0.136 120.399 120.400 0.225 0.000 2.173 623 K HA -0.201 4.120 4.320 0.001 0.000 0.207 623 K C 0.017 176.650 176.600 0.056 0.000 1.046 623 K CA 1.826 58.180 56.287 0.112 0.000 0.929 623 K CB -0.378 32.182 32.500 0.101 0.000 0.720 623 K HN 0.249 nan 8.250 nan 0.000 0.453 624 D N -1.454 118.983 120.400 0.061 0.000 2.952 624 D HA 0.229 4.869 4.640 0.001 0.000 0.373 624 D C -0.832 175.473 176.300 0.009 0.000 1.360 624 D CA -0.487 53.525 54.000 0.021 0.000 0.788 624 D CB 0.595 41.409 40.800 0.023 0.000 1.192 624 D HN 0.038 nan 8.370 nan 0.000 0.462 625 A N 2.117 124.928 122.820 -0.015 0.000 2.540 625 A HA 0.409 4.729 4.320 0.001 0.000 0.239 625 A C -1.732 175.811 177.584 -0.068 0.000 1.061 625 A CA -0.868 51.135 52.037 -0.056 0.000 0.758 625 A CB -0.044 18.846 19.000 -0.183 0.000 0.991 625 A HN 0.328 nan 8.150 nan 0.000 0.502 626 P HA 0.224 nan 4.420 nan 0.000 0.266 626 P C -0.179 177.074 177.300 -0.077 0.000 1.195 626 P CA 0.293 63.361 63.100 -0.054 0.000 0.768 626 P CB 0.718 32.393 31.700 -0.041 0.000 0.838 627 A N 2.979 125.758 122.820 -0.069 0.000 2.340 627 A HA 0.386 4.706 4.320 0.001 0.000 0.268 627 A C 0.548 178.090 177.584 -0.071 0.000 1.100 627 A CA -0.485 51.505 52.037 -0.078 0.000 0.803 627 A CB 0.077 19.037 19.000 -0.067 0.000 1.043 627 A HN 0.693 nan 8.150 nan 0.000 0.488 628 E N 0.598 120.751 120.200 -0.079 0.000 2.259 628 E HA 0.560 4.911 4.350 0.001 0.000 0.257 628 E C 0.538 177.102 176.600 -0.060 0.000 0.998 628 E CA -0.130 56.227 56.400 -0.070 0.000 0.866 628 E CB 0.812 30.463 29.700 -0.082 0.000 1.220 628 E HN 0.682 nan 8.360 nan 0.000 0.415 629 T N -0.907 113.616 114.554 -0.052 0.000 5.193 629 T HA 0.134 4.485 4.350 0.001 0.000 0.380 629 T C 0.211 174.885 174.700 -0.043 0.000 1.047 629 T CA 0.094 62.168 62.100 -0.044 0.000 0.901 629 T CB -0.210 68.636 68.868 -0.037 0.000 1.613 629 T HN 0.689 nan 8.240 nan 0.000 0.435 630 K N -0.853 119.525 120.400 -0.036 0.000 2.469 630 K HA 0.743 5.064 4.320 0.001 0.000 0.254 630 K C -0.564 176.021 176.600 -0.025 0.000 0.939 630 K CA -1.009 55.259 56.287 -0.032 0.000 0.812 630 K CB 2.116 34.600 32.500 -0.027 0.000 1.301 630 K HN 0.565 nan 8.250 nan 0.000 0.433 631 A N 1.384 124.192 122.820 -0.021 0.000 2.585 631 A HA 0.130 4.451 4.320 0.001 0.000 0.266 631 A C -0.653 176.929 177.584 -0.003 0.000 1.178 631 A CA -0.311 51.718 52.037 -0.013 0.000 0.966 631 A CB -0.243 18.748 19.000 -0.016 0.000 1.170 631 A HN 0.805 nan 8.150 nan 0.000 0.558 632 E N 2.584 122.783 120.200 -0.002 0.000 2.603 632 E HA 0.261 4.612 4.350 0.001 0.000 0.242 632 E C -1.850 174.756 176.600 0.010 0.000 1.083 632 E CA -1.014 55.392 56.400 0.010 0.000 0.950 632 E CB -0.616 29.087 29.700 0.006 0.000 0.952 632 E HN 0.443 nan 8.360 nan 0.000 0.498 633 P HA 0.009 nan 4.420 nan 0.000 0.274 633 P C -0.277 177.021 177.300 -0.002 0.000 1.264 633 P CA -0.431 62.678 63.100 0.016 0.000 0.795 633 P CB 0.603 32.321 31.700 0.031 0.000 1.064 634 M N 0.033 119.635 119.600 0.003 0.000 2.184 634 M HA 0.205 4.686 4.480 0.001 0.000 0.351 634 M C 0.370 176.622 176.300 -0.080 0.000 1.395 634 M CA 0.767 56.055 55.300 -0.020 0.000 1.117 634 M CB 0.387 32.994 32.600 0.012 0.000 1.708 634 M HN 0.316 nan 8.290 nan 0.000 0.468 635 T N 1.847 116.262 114.554 -0.233 0.000 2.883 635 T HA 0.447 4.798 4.350 0.001 0.000 0.296 635 T C -0.658 173.723 174.700 -0.531 0.000 1.117 635 T CA -0.906 60.773 62.100 -0.701 0.000 1.006 635 T CB 1.385 69.968 68.868 -0.475 0.000 1.191 635 T HN 0.782 nan 8.240 nan 0.000 0.508 636 N N 0.278 118.536 118.700 -0.737 0.000 2.434 636 N HA 0.217 4.957 4.740 0.001 0.000 0.266 636 N C 0.930 176.400 175.510 -0.067 0.000 1.223 636 N CA -0.619 52.305 53.050 -0.209 0.000 0.972 636 N CB 0.352 38.834 38.487 -0.008 0.000 1.207 636 N HN 0.789 nan 8.380 nan 0.000 0.525 637 E N -0.626 119.583 120.200 0.016 0.000 2.085 637 E HA -0.240 4.111 4.350 0.001 0.000 0.194 637 E C 1.162 177.806 176.600 0.074 0.000 0.994 637 E CA 0.976 57.396 56.400 0.033 0.000 0.801 637 E CB -0.208 29.516 29.700 0.040 0.000 0.743 637 E HN 0.609 nan 8.360 nan 0.000 0.453 638 F N -0.144 119.804 119.950 -0.002 0.000 2.234 638 F HA -0.096 4.432 4.527 0.001 0.000 0.299 638 F C 1.768 177.587 175.800 0.032 0.000 1.087 638 F CA 1.052 59.051 58.000 -0.001 0.000 1.340 638 F CB -0.197 38.820 39.000 0.029 0.000 1.031 638 F HN 0.091 nan 8.300 nan 0.000 0.500 639 F N 1.134 121.107 119.950 0.038 0.000 2.186 639 F HA -0.098 4.430 4.527 0.001 0.000 0.299 639 F C 2.173 177.892 175.800 -0.134 0.000 1.090 639 F CA 1.639 59.618 58.000 -0.035 0.000 1.307 639 F CB -0.392 38.538 39.000 -0.117 0.000 1.019 639 F HN -0.181 nan 8.300 nan 0.000 0.489 640 K N -0.232 120.131 120.400 -0.061 0.000 2.057 640 K HA -0.114 4.207 4.320 0.001 0.000 0.206 640 K C 1.546 178.016 176.600 -0.217 0.000 1.050 640 K CA 1.446 57.659 56.287 -0.124 0.000 0.935 640 K CB -0.235 32.227 32.500 -0.063 0.000 0.715 640 K HN 0.214 nan 8.250 nan 0.000 0.439 641 N N -0.158 118.393 118.700 -0.248 0.000 2.415 641 N HA -0.034 4.707 4.740 0.001 0.000 0.176 641 N C 1.401 176.661 175.510 -0.417 0.000 1.042 641 N CA 0.722 53.599 53.050 -0.288 0.000 0.902 641 N CB 0.629 38.973 38.487 -0.239 0.000 0.986 641 N HN -0.017 nan 8.380 nan 0.000 0.447 642 V N -0.992 118.554 119.914 -0.614 0.000 3.177 642 V HA 0.082 4.203 4.120 0.001 0.000 0.219 642 V C 2.036 177.846 176.094 -0.474 0.000 1.344 642 V CA 0.213 62.111 62.300 -0.670 0.000 1.324 642 V CB 0.108 31.185 31.823 -1.243 0.000 1.165 642 V HN -0.147 nan 8.190 nan 0.000 0.510 643 V N 0.708 120.294 119.914 -0.547 0.000 2.244 643 V HA -0.249 3.872 4.120 0.001 0.000 0.244 643 V C 2.343 178.141 176.094 -0.494 0.000 1.042 643 V CA 2.623 64.702 62.300 -0.367 0.000 1.006 643 V CB -0.663 30.991 31.823 -0.283 0.000 0.641 643 V HN 0.488 nan 8.190 nan 0.000 0.446 644 K N 0.157 120.046 120.400 -0.851 0.000 2.032 644 K HA -0.191 4.130 4.320 0.001 0.000 0.209 644 K C -0.048 176.403 176.600 -0.248 0.000 1.048 644 K CA 1.982 57.926 56.287 -0.571 0.000 0.927 644 K CB -1.099 31.098 32.500 -0.504 0.000 0.712 644 K HN 0.392 nan 8.250 nan 0.000 0.441 645 P HA -0.158 nan 4.420 nan 0.000 0.215 645 P C 1.150 178.422 177.300 -0.048 0.000 1.153 645 P CA 1.325 64.355 63.100 -0.116 0.000 0.853 645 P CB 0.046 31.666 31.700 -0.133 0.000 0.788 646 I N -1.407 119.135 120.570 -0.046 0.000 2.179 646 I HA -0.229 3.942 4.170 0.001 0.000 0.242 646 I C 2.254 178.404 176.117 0.056 0.000 1.088 646 I CA 1.368 62.690 61.300 0.036 0.000 1.357 646 I CB -0.657 37.399 38.000 0.093 0.000 1.051 646 I HN -0.111 nan 8.210 nan 0.000 0.409 647 L N 0.212 121.456 121.223 0.035 0.000 2.131 647 L HA -0.159 4.182 4.340 0.001 0.000 0.210 647 L C 2.192 179.172 176.870 0.183 0.000 1.092 647 L CA 1.677 56.580 54.840 0.105 0.000 0.759 647 L CB -0.917 41.198 42.059 0.093 0.000 0.903 647 L HN 0.433 nan 8.230 nan 0.000 0.435 648 T N -3.570 111.057 114.554 0.123 0.000 3.278 648 T HA 0.059 4.409 4.350 0.001 0.000 0.251 648 T C 0.604 175.450 174.700 0.243 0.000 1.039 648 T CA -0.376 61.838 62.100 0.191 0.000 0.935 648 T CB 0.129 69.021 68.868 0.040 0.000 1.034 648 T HN 0.313 nan 8.240 nan 0.000 0.575 649 Q N 0.162 120.075 119.800 0.188 0.000 2.487 649 Q HA -0.162 4.179 4.340 0.001 0.000 0.279 649 Q C 0.055 176.109 176.000 0.091 0.000 1.228 649 Q CA 0.726 56.604 55.803 0.125 0.000 0.873 649 Q CB -2.064 26.762 28.738 0.146 0.000 1.260 649 Q HN 0.653 nan 8.270 nan 0.000 0.471 650 Q N -1.756 118.084 119.800 0.067 0.000 2.159 650 Q HA 0.221 4.562 4.340 0.001 0.000 0.217 650 Q C 1.701 177.726 176.000 0.042 0.000 0.818 650 Q CA 0.711 56.541 55.803 0.045 0.000 1.008 650 Q CB 0.723 29.474 28.738 0.022 0.000 1.148 650 Q HN 0.453 nan 8.270 nan 0.000 0.491 651 G N 1.722 110.556 108.800 0.057 0.000 2.469 651 G HA2 -0.272 3.689 3.960 0.001 0.000 0.220 651 G HA3 -0.272 3.689 3.960 0.001 0.000 0.220 651 G C 1.087 176.049 174.900 0.104 0.000 1.136 651 G CA 0.790 45.947 45.100 0.094 0.000 0.759 651 G HN 0.287 nan 8.290 nan 0.000 0.562 652 D N 0.292 120.729 120.400 0.062 0.000 2.311 652 D HA -0.050 4.591 4.640 0.001 0.000 0.212 652 D C 2.206 178.543 176.300 0.061 0.000 0.972 652 D CA 0.746 54.778 54.000 0.054 0.000 0.887 652 D CB 0.034 40.850 40.800 0.027 0.000 0.915 652 D HN 0.389 nan 8.370 nan 0.000 0.497 653 K N -0.090 120.342 120.400 0.053 0.000 2.379 653 K HA 0.123 4.444 4.320 0.001 0.000 0.194 653 K C 0.751 177.377 176.600 0.042 0.000 1.031 653 K CA -0.094 56.215 56.287 0.037 0.000 1.037 653 K CB 0.603 33.113 32.500 0.015 0.000 0.824 653 K HN 0.076 nan 8.250 nan 0.000 0.516 654 L N 4.384 125.652 121.223 0.074 0.000 2.410 654 L HA 0.100 4.441 4.340 0.001 0.000 0.273 654 L C -1.854 175.102 176.870 0.144 0.000 1.144 654 L CA -1.637 53.238 54.840 0.059 0.000 0.863 654 L CB 0.058 42.160 42.059 0.072 0.000 1.140 654 L HN -0.027 nan 8.230 nan 0.000 0.463 655 P HA 0.077 nan 4.420 nan 0.000 0.276 655 P C 0.958 178.369 177.300 0.185 0.000 1.261 655 P CA -0.530 62.629 63.100 0.098 0.000 0.800 655 P CB 1.321 33.038 31.700 0.028 0.000 1.066 656 V N 0.822 120.842 119.914 0.178 0.000 2.332 656 V HA -0.256 3.865 4.120 0.001 0.000 0.248 656 V C 2.708 178.920 176.094 0.196 0.000 1.055 656 V CA 2.943 65.382 62.300 0.231 0.000 1.038 656 V CB -1.810 30.083 31.823 0.116 0.000 0.651 656 V HN 0.777 nan 8.190 nan 0.000 0.450 657 S N 0.958 116.700 115.700 0.069 0.000 2.493 657 S HA -0.107 4.364 4.470 0.001 0.000 0.243 657 S C 1.846 176.398 174.600 -0.081 0.000 0.991 657 S CA 1.168 59.372 58.200 0.008 0.000 0.957 657 S CB -0.474 62.718 63.200 -0.014 0.000 0.756 657 S HN 0.617 nan 8.310 nan 0.000 0.521 658 A N 0.087 122.775 122.820 -0.221 0.000 2.167 658 A HA 0.436 4.757 4.320 0.001 0.000 0.214 658 A C 0.346 177.484 177.584 -0.743 0.000 1.151 658 A CA 0.045 51.752 52.037 -0.550 0.000 0.735 658 A CB -0.371 18.141 19.000 -0.815 0.000 0.802 658 A HN 0.524 nan 8.150 nan 0.000 0.467 659 F N -0.380 119.570 119.950 0.001 0.000 2.556 659 F HA 0.462 4.989 4.527 0.001 0.000 0.327 659 F C 0.329 176.138 175.800 0.016 0.000 1.059 659 F CA -1.204 56.805 58.000 0.015 0.000 0.953 659 F CB 0.910 39.941 39.000 0.052 0.000 1.227 659 F HN -0.101 nan 8.300 nan 0.000 0.478 660 E N 0.633 120.962 120.200 0.215 0.000 2.338 660 E HA 0.216 4.567 4.350 0.001 0.000 0.272 660 E C 0.673 177.363 176.600 0.150 0.000 1.029 660 E CA 0.040 56.523 56.400 0.139 0.000 0.872 660 E CB 1.543 31.314 29.700 0.119 0.000 1.015 660 E HN 0.776 nan 8.360 nan 0.000 0.417 661 A N 3.478 126.357 122.820 0.099 0.000 2.019 661 A HA -0.207 4.113 4.320 0.001 0.000 0.219 661 A C 1.256 178.893 177.584 0.088 0.000 1.164 661 A CA 1.873 53.952 52.037 0.069 0.000 0.644 661 A CB -0.233 18.797 19.000 0.049 0.000 0.805 661 A HN 0.571 nan 8.150 nan 0.000 0.449 662 D N -2.574 117.899 120.400 0.122 0.000 2.328 662 D HA 0.302 4.943 4.640 0.001 0.000 0.221 662 D C 1.121 177.558 176.300 0.228 0.000 1.072 662 D CA 0.733 54.824 54.000 0.152 0.000 0.850 662 D CB -0.590 40.285 40.800 0.124 0.000 0.922 662 D HN 0.695 nan 8.370 nan 0.000 0.516 663 G N 1.322 110.289 108.800 0.279 0.000 2.184 663 G HA2 -0.379 3.581 3.960 0.001 0.000 0.264 663 G HA3 -0.379 3.581 3.960 0.001 0.000 0.264 663 G C 0.412 175.569 174.900 0.428 0.000 0.975 663 G CA 0.257 45.610 45.100 0.422 0.000 0.642 663 G HN 0.782 nan 8.290 nan 0.000 0.536 664 R N -1.081 119.605 120.500 0.309 0.000 2.784 664 R HA 0.607 4.948 4.340 0.001 0.000 0.266 664 R C -0.663 175.859 176.300 0.370 0.000 1.044 664 R CA -0.006 56.275 56.100 0.301 0.000 1.151 664 R CB 0.393 30.799 30.300 0.177 0.000 1.037 664 R HN 0.127 nan 8.270 nan 0.000 0.478 665 F N 0.705 120.709 119.950 0.090 0.000 2.603 665 F HA 0.522 5.050 4.527 0.001 0.000 0.317 665 F C -1.903 173.851 175.800 -0.078 0.000 1.066 665 F CA -2.361 55.657 58.000 0.029 0.000 0.941 665 F CB 2.062 41.133 39.000 0.118 0.000 1.291 665 F HN 0.610 nan 8.300 nan 0.000 0.472 666 P HA 0.417 nan 4.420 nan 0.000 0.281 666 P C -1.152 176.163 177.300 0.026 0.000 1.264 666 P CA -0.421 62.598 63.100 -0.136 0.000 0.824 666 P CB 1.358 32.824 31.700 -0.390 0.000 1.092 667 L N 0.136 121.383 121.223 0.041 0.000 2.466 667 L HA 0.409 4.750 4.340 0.001 0.000 0.257 667 L C 1.771 178.701 176.870 0.100 0.000 1.189 667 L CA 1.323 56.213 54.840 0.082 0.000 0.813 667 L CB -0.537 41.565 42.059 0.072 0.000 1.118 667 L HN 0.854 nan 8.230 nan 0.000 0.471 668 G N -0.443 108.415 108.800 0.096 0.000 2.153 668 G HA2 -0.349 3.611 3.960 0.001 0.000 0.252 668 G HA3 -0.349 3.611 3.960 0.001 0.000 0.252 668 G C 0.925 175.913 174.900 0.148 0.000 0.994 668 G CA 0.874 46.017 45.100 0.072 0.000 0.698 668 G HN 0.866 nan 8.290 nan 0.000 0.521 669 T N -1.588 113.134 114.554 0.279 0.000 3.007 669 T HA 0.042 4.393 4.350 0.001 0.000 0.270 669 T C 2.559 177.494 174.700 0.390 0.000 1.107 669 T CA 1.897 64.287 62.100 0.484 0.000 1.118 669 T CB -0.330 68.914 68.868 0.627 0.000 0.889 669 T HN 1.310 nan 8.240 nan 0.000 0.506 670 S N 0.970 116.810 115.700 0.232 0.000 2.481 670 S HA -0.079 4.392 4.470 0.001 0.000 0.231 670 S C 2.048 176.749 174.600 0.167 0.000 0.996 670 S CA 0.081 58.419 58.200 0.230 0.000 0.942 670 S CB -0.476 62.852 63.200 0.214 0.000 0.768 670 S HN 0.402 nan 8.310 nan 0.000 0.520 671 Q N 0.551 120.318 119.800 -0.055 0.000 2.248 671 Q HA -0.050 4.291 4.340 0.001 0.000 0.208 671 Q C 1.037 176.653 176.000 -0.639 0.000 0.984 671 Q CA 1.314 56.929 55.803 -0.314 0.000 0.875 671 Q CB -0.482 27.801 28.738 -0.758 0.000 0.910 671 Q HN 0.832 nan 8.270 nan 0.000 0.433 672 F N -0.235 119.571 119.950 -0.239 0.000 2.695 672 F HA 0.151 4.679 4.527 0.002 0.000 0.303 672 F C 1.847 177.412 175.800 -0.392 0.000 1.091 672 F CA -0.190 57.475 58.000 -0.557 0.000 1.300 672 F CB 0.265 38.431 39.000 -1.389 0.000 1.071 672 F HN 0.020 nan 8.300 nan 0.000 0.578 673 E N 0.633 120.841 120.200 0.013 0.000 2.106 673 E HA -0.121 4.230 4.350 0.001 0.000 0.192 673 E C 0.488 177.128 176.600 0.068 0.000 0.984 673 E CA 0.415 56.921 56.400 0.176 0.000 0.806 673 E CB -0.058 29.778 29.700 0.227 0.000 0.750 673 E HN 0.004 nan 8.360 nan 0.000 0.458 674 K N 0.955 121.313 120.400 -0.071 0.000 3.679 674 K HA -0.267 4.054 4.320 0.001 0.000 0.274 674 K C 0.503 177.088 176.600 -0.025 0.000 0.839 674 K CA 0.542 56.761 56.287 -0.113 0.000 0.663 674 K CB -1.061 31.382 32.500 -0.095 0.000 1.638 674 K HN 0.311 nan 8.250 nan 0.000 0.443 675 R N 0.048 120.550 120.500 0.002 0.000 2.120 675 R HA -0.110 4.231 4.340 0.001 0.000 0.234 675 R C 1.400 177.725 176.300 0.042 0.000 1.123 675 R CA 0.960 57.093 56.100 0.055 0.000 0.975 675 R CB -0.092 30.256 30.300 0.080 0.000 0.866 675 R HN 0.648 nan 8.270 nan 0.000 0.446 676 G N 1.004 109.801 108.800 -0.004 0.000 2.371 676 G HA2 -0.228 3.733 3.960 0.001 0.000 0.299 676 G HA3 -0.228 3.733 3.960 0.001 0.000 0.299 676 G C 0.484 175.399 174.900 0.025 0.000 1.014 676 G CA 0.480 45.580 45.100 0.001 0.000 1.097 676 G HN 0.373 nan 8.290 nan 0.000 0.512 677 V N -3.208 116.718 119.914 0.020 0.000 3.483 677 V HA 0.755 4.876 4.120 0.001 0.000 0.301 677 V C 1.362 177.463 176.094 0.012 0.000 1.389 677 V CA 0.527 62.849 62.300 0.037 0.000 1.101 677 V CB -0.030 31.832 31.823 0.065 0.000 0.971 677 V HN 1.560 nan 8.190 nan 0.000 0.434 678 A N 0.359 123.173 122.820 -0.011 0.000 2.425 678 A HA 0.649 4.970 4.320 0.001 0.000 0.249 678 A C 1.035 178.619 177.584 0.000 0.000 1.084 678 A CA -0.128 51.899 52.037 -0.017 0.000 0.781 678 A CB 0.349 19.330 19.000 -0.031 0.000 1.019 678 A HN 0.382 nan 8.150 nan 0.000 0.490 679 I N 0.736 121.308 120.570 0.002 0.000 2.339 679 I HA -0.022 4.149 4.170 0.001 0.000 0.245 679 I C 0.359 176.481 176.117 0.008 0.000 1.096 679 I CA 0.630 61.934 61.300 0.007 0.000 1.408 679 I CB -0.082 37.922 38.000 0.007 0.000 1.092 679 I HN 0.568 nan 8.210 nan 0.000 0.423 680 N N 0.504 119.208 118.700 0.006 0.000 2.240 680 N HA 0.516 5.257 4.740 0.001 0.000 0.302 680 N C -1.007 174.507 175.510 0.007 0.000 1.106 680 N CA -0.257 52.799 53.050 0.009 0.000 0.778 680 N CB 3.127 41.620 38.487 0.011 0.000 1.431 680 N HN -0.107 nan 8.380 nan 0.000 0.479 681 V N -1.521 118.401 119.914 0.012 0.000 3.078 681 V HA 0.742 4.863 4.120 0.001 0.000 0.311 681 V C -2.709 173.400 176.094 0.025 0.000 1.138 681 V CA -2.275 60.032 62.300 0.012 0.000 1.007 681 V CB 2.586 34.413 31.823 0.007 0.000 1.045 681 V HN 0.465 nan 8.190 nan 0.000 0.432 682 P HA 0.221 nan 4.420 nan 0.000 0.271 682 P C -1.284 176.056 177.300 0.068 0.000 1.218 682 P CA 0.061 63.192 63.100 0.050 0.000 0.780 682 P CB 0.999 32.730 31.700 0.053 0.000 0.901 683 Q N 2.593 122.446 119.800 0.088 0.000 2.330 683 Q HA 0.285 4.626 4.340 0.001 0.000 0.269 683 Q C -1.448 174.662 176.000 0.183 0.000 1.022 683 Q CA -0.835 55.034 55.803 0.111 0.000 0.796 683 Q CB 1.096 29.878 28.738 0.073 0.000 1.271 683 Q HN 0.387 nan 8.270 nan 0.000 0.450 684 W N 4.487 125.780 121.300 -0.011 0.000 2.218 684 W HA 0.389 5.050 4.660 0.001 0.000 0.326 684 W C -1.153 175.362 176.519 -0.006 0.000 1.276 684 W CA -0.315 57.025 57.345 -0.009 0.000 1.210 684 W CB 0.939 30.383 29.460 -0.027 0.000 1.143 684 W HN 0.392 nan 8.180 nan 0.000 0.563 685 V N 9.780 129.486 119.914 -0.347 0.000 2.320 685 V HA 0.134 4.255 4.120 0.001 0.000 0.268 685 V C -1.189 174.437 176.094 -0.780 0.000 1.021 685 V CA -1.244 60.810 62.300 -0.410 0.000 0.813 685 V CB 1.212 32.921 31.823 -0.190 0.000 1.054 685 V HN 0.531 nan 8.190 nan 0.000 0.444 686 P HA -0.177 nan 4.420 nan 0.000 0.218 686 P C 0.949 177.944 177.300 -0.509 0.000 1.146 686 P CA 1.262 63.608 63.100 -1.256 0.000 0.813 686 P CB 0.575 31.511 31.700 -1.274 0.000 0.778 687 E N 0.034 120.031 120.200 -0.339 0.000 2.268 687 E HA -0.114 4.236 4.350 0.001 0.000 0.195 687 E C 1.434 177.954 176.600 -0.133 0.000 0.995 687 E CA 1.054 57.346 56.400 -0.181 0.000 0.836 687 E CB -0.845 28.775 29.700 -0.133 0.000 0.763 687 E HN 0.538 nan 8.360 nan 0.000 0.491 688 N N -0.786 117.821 118.700 -0.156 0.000 2.282 688 N HA 0.072 4.813 4.740 0.001 0.000 0.185 688 N C -0.305 175.182 175.510 -0.037 0.000 1.099 688 N CA -0.318 52.683 53.050 -0.082 0.000 0.878 688 N CB 0.499 38.943 38.487 -0.071 0.000 0.993 688 N HN 0.038 nan 8.380 nan 0.000 0.481 689 C N 2.531 121.808 119.300 -0.039 0.000 2.627 689 C HA 0.194 4.655 4.460 0.001 0.000 0.404 689 C C 1.759 176.804 174.990 0.091 0.000 1.340 689 C CA -0.682 58.406 59.018 0.117 0.000 1.758 689 C CB -1.299 26.651 27.740 0.350 0.000 2.501 689 C HN 0.467 nan 8.230 nan 0.000 0.588 690 I N 2.493 123.100 120.570 0.061 0.000 3.810 690 I HA 0.202 4.373 4.170 0.001 0.000 0.322 690 I C 0.827 176.901 176.117 -0.071 0.000 1.288 690 I CA 0.069 61.367 61.300 -0.003 0.000 1.143 690 I CB -0.762 37.230 38.000 -0.013 0.000 1.012 690 I HN 0.857 nan 8.210 nan 0.000 0.423 691 Q N 0.841 120.594 119.800 -0.079 0.000 2.451 691 Q HA -0.226 4.115 4.340 0.001 0.000 0.305 691 Q C 1.251 177.062 176.000 -0.315 0.000 1.345 691 Q CA 0.633 56.169 55.803 -0.445 0.000 0.854 691 Q CB -1.932 26.305 28.738 -0.835 0.000 1.162 691 Q HN 0.959 nan 8.270 nan 0.000 0.440 692 C N -2.938 116.296 119.300 -0.110 0.000 2.634 692 C HA 0.228 4.688 4.460 0.001 0.000 0.268 692 C C 1.125 176.064 174.990 -0.086 0.000 1.322 692 C CA 0.227 59.187 59.018 -0.098 0.000 1.737 692 C CB 0.067 27.769 27.740 -0.063 0.000 1.976 692 C HN 0.755 nan 8.230 nan 0.000 0.547 693 N N 0.515 119.207 118.700 -0.013 0.000 2.863 693 N HA -0.216 4.525 4.740 0.001 0.000 0.245 693 N C 0.776 176.293 175.510 0.011 0.000 1.001 693 N CA 1.573 54.619 53.050 -0.008 0.000 0.901 693 N CB -1.595 36.803 38.487 -0.147 0.000 1.124 693 N HN 0.788 nan 8.380 nan 0.000 0.582 694 Q N -0.669 119.129 119.800 -0.004 0.000 2.170 694 Q HA -0.113 4.227 4.340 0.001 0.000 0.203 694 Q C 2.256 178.300 176.000 0.073 0.000 0.976 694 Q CA 1.835 57.640 55.803 0.005 0.000 0.858 694 Q CB -0.139 28.573 28.738 -0.043 0.000 0.907 694 Q HN 0.858 nan 8.270 nan 0.000 0.433 695 C N -0.609 118.725 119.300 0.057 0.000 2.429 695 C HA 0.054 4.515 4.460 0.001 0.000 0.277 695 C C 2.729 177.743 174.990 0.041 0.000 1.262 695 C CA 0.410 59.458 59.018 0.050 0.000 1.733 695 C CB -1.307 26.459 27.740 0.044 0.000 2.010 695 C HN 0.456 nan 8.230 nan 0.000 0.483 696 A N -0.071 122.766 122.820 0.029 0.000 1.969 696 A HA -0.009 4.312 4.320 0.001 0.000 0.218 696 A C 1.970 179.561 177.584 0.012 0.000 1.169 696 A CA 1.409 53.443 52.037 -0.005 0.000 0.635 696 A CB -0.986 17.989 19.000 -0.041 0.000 0.810 696 A HN 0.606 nan 8.150 nan 0.000 0.445 697 F N 0.777 120.679 119.950 -0.080 0.000 2.134 697 F HA -0.174 4.354 4.527 0.002 0.000 0.299 697 F C 2.194 177.941 175.800 -0.088 0.000 1.097 697 F CA 2.118 60.074 58.000 -0.074 0.000 1.264 697 F CB 0.134 39.101 39.000 -0.055 0.000 1.001 697 F HN 0.135 nan 8.300 nan 0.000 0.479 698 V N -2.257 117.734 119.914 0.129 0.000 3.541 698 V HA 0.092 4.213 4.120 0.001 0.000 0.267 698 V C 1.018 177.068 176.094 -0.073 0.000 1.213 698 V CA -0.321 61.986 62.300 0.011 0.000 1.149 698 V CB -1.551 30.296 31.823 0.041 0.000 0.822 698 V HN 0.319 nan 8.190 nan 0.000 0.462 699 C N 3.212 122.473 119.300 -0.064 0.000 2.638 699 C HA 0.332 4.793 4.460 0.001 0.000 0.410 699 C C -0.449 174.470 174.990 -0.119 0.000 1.404 699 C CA -0.452 58.533 59.018 -0.055 0.000 1.651 699 C CB 0.493 28.219 27.740 -0.024 0.000 2.495 699 C HN 0.491 nan 8.230 nan 0.000 0.606 700 P HA 0.051 nan 4.420 nan 0.000 0.242 700 P C -0.044 176.940 177.300 -0.526 0.000 1.197 700 P CA 1.285 64.218 63.100 -0.279 0.000 0.765 700 P CB 0.051 31.643 31.700 -0.180 0.000 0.936 701 H N -3.530 115.465 119.070 -0.126 0.000 3.230 701 H HA 0.295 4.852 4.556 0.001 0.000 0.259 701 H C 0.463 175.791 175.328 0.001 0.000 1.195 701 H CA -0.090 55.921 56.048 -0.062 0.000 1.112 701 H CB 0.101 29.882 29.762 0.032 0.000 1.638 701 H HN -0.222 nan 8.280 nan 0.000 0.624 702 S N 0.190 115.890 115.700 0.001 0.000 3.635 702 S HA -0.246 4.224 4.470 0.001 0.000 0.328 702 S C 1.282 175.991 174.600 0.181 0.000 1.135 702 S CA 0.487 58.674 58.200 -0.022 0.000 0.942 702 S CB -1.416 61.639 63.200 -0.242 0.000 0.930 702 S HN 0.690 nan 8.310 nan 0.000 0.512 703 A N -0.018 122.906 122.820 0.175 0.000 2.278 703 A HA 0.494 4.815 4.320 0.001 0.000 0.212 703 A C 0.566 178.180 177.584 0.049 0.000 1.213 703 A CA 0.267 52.390 52.037 0.144 0.000 0.840 703 A CB -0.000 19.047 19.000 0.078 0.000 0.866 703 A HN 0.652 nan 8.150 nan 0.000 0.489 704 I N 0.458 121.039 120.570 0.019 0.000 2.436 704 I HA 0.339 4.509 4.170 0.001 0.000 0.289 704 I C -1.122 174.961 176.117 -0.057 0.000 1.010 704 I CA -0.852 60.424 61.300 -0.041 0.000 1.098 704 I CB 2.053 40.022 38.000 -0.052 0.000 1.266 704 I HN 0.079 nan 8.210 nan 0.000 0.434 705 L N 9.798 130.967 121.223 -0.091 0.000 2.318 705 L HA 0.640 4.981 4.340 0.001 0.000 0.277 705 L C -2.665 174.106 176.870 -0.165 0.000 1.008 705 L CA -1.894 52.894 54.840 -0.087 0.000 0.846 705 L CB 1.084 43.120 42.059 -0.038 0.000 1.220 705 L HN 0.213 nan 8.230 nan 0.000 0.423 706 P HA 0.216 nan 4.420 nan 0.000 0.271 706 P C -1.194 176.030 177.300 -0.127 0.000 1.216 706 P CA -0.087 62.884 63.100 -0.215 0.000 0.771 706 P CB 1.157 32.819 31.700 -0.063 0.000 0.864 707 V N 5.059 124.787 119.914 -0.309 0.000 2.448 707 V HA 0.368 4.489 4.120 0.001 0.000 0.295 707 V C -0.284 175.732 176.094 -0.131 0.000 1.025 707 V CA -0.487 61.730 62.300 -0.140 0.000 0.859 707 V CB 1.566 33.339 31.823 -0.083 0.000 0.988 707 V HN 0.338 nan 8.190 nan 0.000 0.431 708 L N 5.323 126.508 121.223 -0.064 0.000 2.345 708 L HA 0.902 5.242 4.340 0.001 0.000 0.274 708 L C -0.017 176.845 176.870 -0.014 0.000 0.999 708 L CA 0.095 54.868 54.840 -0.112 0.000 0.849 708 L CB 1.058 42.767 42.059 -0.584 0.000 1.220 708 L HN 0.770 nan 8.230 nan 0.000 0.422 709 A N 4.468 127.381 122.820 0.154 0.000 2.423 709 A HA 0.796 5.117 4.320 0.001 0.000 0.304 709 A C -0.886 176.866 177.584 0.280 0.000 1.104 709 A CA -0.832 51.327 52.037 0.203 0.000 0.757 709 A CB 1.247 20.346 19.000 0.165 0.000 1.313 709 A HN 0.595 nan 8.150 nan 0.000 0.423 710 K N 0.627 121.133 120.400 0.177 0.000 2.118 710 K HA 0.243 4.564 4.320 0.001 0.000 0.264 710 K C 0.330 176.961 176.600 0.051 0.000 1.000 710 K CA -0.502 55.803 56.287 0.032 0.000 0.929 710 K CB 1.217 33.695 32.500 -0.037 0.000 1.021 710 K HN 0.749 nan 8.250 nan 0.000 0.463 711 E N 1.571 121.783 120.200 0.021 0.000 2.171 711 E HA -0.296 4.055 4.350 0.001 0.000 0.197 711 E C 1.626 178.253 176.600 0.045 0.000 0.997 711 E CA 1.463 57.891 56.400 0.047 0.000 0.810 711 E CB 0.118 29.833 29.700 0.024 0.000 0.738 711 E HN 0.619 nan 8.360 nan 0.000 0.467 712 E N 0.893 121.105 120.200 0.020 0.000 2.160 712 E HA -0.215 4.136 4.350 0.001 0.000 0.195 712 E C 1.528 178.149 176.600 0.035 0.000 0.991 712 E CA 1.086 57.497 56.400 0.019 0.000 0.810 712 E CB 0.129 29.829 29.700 0.000 0.000 0.742 712 E HN 0.311 nan 8.360 nan 0.000 0.466 713 E N -0.374 119.854 120.200 0.047 0.000 2.358 713 E HA -0.094 4.257 4.350 0.001 0.000 0.195 713 E C 0.975 177.639 176.600 0.105 0.000 1.010 713 E CA 0.084 56.513 56.400 0.048 0.000 0.856 713 E CB 0.260 29.980 29.700 0.033 0.000 0.795 713 E HN 0.189 nan 8.360 nan 0.000 0.504 714 L N 0.682 121.985 121.223 0.134 0.000 2.645 714 L HA 0.011 4.351 4.340 0.001 0.000 0.234 714 L C 1.564 178.495 176.870 0.103 0.000 1.165 714 L CA 0.446 55.391 54.840 0.175 0.000 0.944 714 L CB -0.106 42.072 42.059 0.197 0.000 1.149 714 L HN -0.025 nan 8.230 nan 0.000 0.446 715 V N 0.280 120.246 119.914 0.088 0.000 2.214 715 V HA -0.209 3.911 4.120 0.001 0.000 0.245 715 V C 2.234 178.328 176.094 0.001 0.000 1.047 715 V CA 2.179 64.504 62.300 0.042 0.000 0.998 715 V CB -1.017 30.829 31.823 0.038 0.000 0.633 715 V HN 0.557 nan 8.190 nan 0.000 0.446 716 G N -0.440 108.376 108.800 0.026 0.000 2.956 716 G HA2 0.247 4.207 3.960 0.001 0.000 0.207 716 G HA3 0.247 4.207 3.960 0.001 0.000 0.207 716 G C 0.605 175.300 174.900 -0.342 0.000 1.162 716 G CA 0.445 45.513 45.100 -0.054 0.000 0.796 716 G HN 0.653 nan 8.290 nan 0.000 0.527 717 A N 1.083 123.598 122.820 -0.509 0.000 2.567 717 A HA 0.435 4.756 4.320 0.001 0.000 0.240 717 A C -1.702 175.525 177.584 -0.594 0.000 1.053 717 A CA -0.675 50.696 52.037 -1.109 0.000 0.755 717 A CB 0.094 18.739 19.000 -0.592 0.000 0.978 717 A HN 0.217 nan 8.150 nan 0.000 0.507 718 P HA 0.090 nan 4.420 nan 0.000 0.267 718 P C 1.080 178.343 177.300 -0.062 0.000 1.201 718 P CA 0.743 63.709 63.100 -0.223 0.000 0.775 718 P CB 0.573 32.193 31.700 -0.134 0.000 0.854 719 A N 3.321 126.126 122.820 -0.025 0.000 1.917 719 A HA -0.234 4.087 4.320 0.001 0.000 0.219 719 A C 1.510 179.128 177.584 0.057 0.000 1.182 719 A CA 2.122 54.167 52.037 0.014 0.000 0.633 719 A CB -1.190 17.814 19.000 0.007 0.000 0.819 719 A HN 0.751 nan 8.150 nan 0.000 0.448 720 N N -1.302 117.442 118.700 0.073 0.000 2.362 720 N HA 0.019 4.760 4.740 0.001 0.000 0.204 720 N C 0.059 175.652 175.510 0.138 0.000 1.166 720 N CA -0.267 52.836 53.050 0.087 0.000 0.831 720 N CB -0.531 37.996 38.487 0.068 0.000 1.008 720 N HN 0.309 nan 8.380 nan 0.000 0.472 721 F N 2.629 122.580 119.950 0.001 0.000 2.668 721 F HA 0.175 4.703 4.527 0.002 0.000 0.365 721 F C 0.059 175.913 175.800 0.090 0.000 1.165 721 F CA -0.331 57.687 58.000 0.030 0.000 1.344 721 F CB -0.864 38.109 39.000 -0.045 0.000 1.658 721 F HN -0.187 nan 8.300 nan 0.000 0.620 722 T N 2.521 117.098 114.554 0.039 0.000 2.871 722 T HA 0.386 4.736 4.350 0.001 0.000 0.296 722 T C 0.254 175.028 174.700 0.124 0.000 0.998 722 T CA 0.289 62.436 62.100 0.079 0.000 1.162 722 T CB 0.427 69.330 68.868 0.057 0.000 0.947 722 T HN 0.507 nan 8.240 nan 0.000 0.536 723 A N 3.684 126.599 122.820 0.159 0.000 2.435 723 A HA 0.806 5.127 4.320 0.001 0.000 0.304 723 A C -0.582 177.139 177.584 0.228 0.000 1.064 723 A CA -0.888 51.281 52.037 0.220 0.000 0.727 723 A CB 1.130 20.250 19.000 0.200 0.000 1.284 723 A HN 0.767 nan 8.150 nan 0.000 0.415 724 L N 0.540 121.953 121.223 0.317 0.000 2.376 724 L HA 0.467 4.807 4.340 0.001 0.000 0.267 724 L C 0.265 177.281 176.870 0.244 0.000 1.035 724 L CA -0.860 54.133 54.840 0.254 0.000 0.800 724 L CB 0.918 43.162 42.059 0.309 0.000 1.290 724 L HN 0.653 nan 8.230 nan 0.000 0.462 725 E N 1.183 121.488 120.200 0.174 0.000 2.259 725 E HA 0.265 4.616 4.350 0.001 0.000 0.281 725 E C -0.419 176.285 176.600 0.173 0.000 1.037 725 E CA -0.434 56.058 56.400 0.154 0.000 0.854 725 E CB 1.479 31.239 29.700 0.099 0.000 1.051 725 E HN 0.583 nan 8.360 nan 0.000 0.409 726 A N 3.966 126.913 122.820 0.212 0.000 2.545 726 A HA -0.006 4.315 4.320 0.001 0.000 0.253 726 A C 0.464 178.106 177.584 0.096 0.000 1.074 726 A CA 0.060 52.212 52.037 0.192 0.000 0.760 726 A CB -0.013 19.142 19.000 0.259 0.000 1.005 726 A HN 0.459 nan 8.150 nan 0.000 0.506 727 K N 2.338 122.749 120.400 0.017 0.000 2.168 727 K HA 0.542 4.863 4.320 0.001 0.000 0.258 727 K C 0.392 176.997 176.600 0.009 0.000 1.010 727 K CA 1.046 57.333 56.287 -0.000 0.000 0.929 727 K CB 0.579 33.052 32.500 -0.045 0.000 0.998 727 K HN 2.048 nan 8.250 nan 0.000 0.479 728 G N 2.346 111.157 108.800 0.017 0.000 2.911 728 G HA2 -0.135 3.826 3.960 0.001 0.000 0.686 728 G HA3 -0.135 3.826 3.960 0.001 0.000 0.686 728 G C -0.025 174.901 174.900 0.044 0.000 1.136 728 G CA -0.183 44.932 45.100 0.025 0.000 0.764 728 G HN 0.586 nan 8.290 nan 0.000 0.626 729 K N 0.628 121.051 120.400 0.037 0.000 2.057 729 K HA -0.118 4.202 4.320 0.001 0.000 0.207 729 K C 2.057 178.692 176.600 0.058 0.000 1.049 729 K CA 2.049 58.361 56.287 0.042 0.000 0.931 729 K CB 0.001 32.520 32.500 0.031 0.000 0.714 729 K HN 0.606 nan 8.250 nan 0.000 0.440 730 E N 0.513 120.748 120.200 0.059 0.000 2.418 730 E HA -0.056 4.295 4.350 0.001 0.000 0.197 730 E C 1.210 177.877 176.600 0.113 0.000 1.026 730 E CA 0.619 57.062 56.400 0.071 0.000 0.862 730 E CB 0.038 29.769 29.700 0.051 0.000 0.799 730 E HN 0.250 nan 8.360 nan 0.000 0.518 731 L N -0.110 121.189 121.223 0.127 0.000 2.766 731 L HA 0.210 4.551 4.340 0.001 0.000 0.242 731 L C 1.313 178.365 176.870 0.303 0.000 1.136 731 L CA -0.230 54.747 54.840 0.228 0.000 0.933 731 L CB 0.080 42.202 42.059 0.105 0.000 1.241 731 L HN -0.011 nan 8.230 nan 0.000 0.522 732 K N 1.148 121.646 120.400 0.164 0.000 2.032 732 K HA -0.309 4.012 4.320 0.001 0.000 0.225 732 K C 1.635 178.282 176.600 0.078 0.000 0.881 732 K CA 2.211 58.556 56.287 0.097 0.000 1.002 732 K CB -0.887 31.645 32.500 0.053 0.000 0.748 732 K HN 0.455 nan 8.250 nan 0.000 0.569 733 G N -0.259 108.534 108.800 -0.011 0.000 2.882 733 G HA2 -0.044 3.917 3.960 0.001 0.000 0.206 733 G HA3 -0.044 3.917 3.960 0.001 0.000 0.206 733 G C 0.000 174.817 174.900 -0.138 0.000 1.155 733 G CA 0.106 45.146 45.100 -0.101 0.000 0.800 733 G HN 0.185 nan 8.290 nan 0.000 0.524 734 Y N 0.051 120.374 120.300 0.038 0.000 2.326 734 Y HA 0.463 5.014 4.550 0.001 0.000 0.324 734 Y C 0.627 176.587 175.900 0.098 0.000 1.291 734 Y CA -0.491 57.639 58.100 0.051 0.000 1.348 734 Y CB 1.025 39.499 38.460 0.024 0.000 1.294 734 Y HN -0.246 nan 8.280 nan 0.000 0.525 735 K N 2.034 122.622 120.400 0.313 0.000 2.274 735 K HA 0.289 4.609 4.320 0.001 0.000 0.262 735 K C -1.540 175.246 176.600 0.309 0.000 0.961 735 K CA -0.586 55.863 56.287 0.270 0.000 0.833 735 K CB 1.545 34.177 32.500 0.220 0.000 1.102 735 K HN 0.529 nan 8.250 nan 0.000 0.436 736 F N 2.570 122.626 119.950 0.177 0.000 2.443 736 F HA 0.489 5.017 4.527 0.001 0.000 0.335 736 F C -0.076 175.818 175.800 0.157 0.000 1.104 736 F CA -0.655 57.443 58.000 0.164 0.000 1.013 736 F CB 1.211 40.325 39.000 0.190 0.000 1.136 736 F HN 0.439 nan 8.300 nan 0.000 0.470 737 R N 6.942 126.952 120.500 -0.817 0.000 2.535 737 R HA 0.424 4.765 4.340 0.001 0.000 0.274 737 R C -2.162 173.320 176.300 -1.363 0.000 1.090 737 R CA -0.729 54.847 56.100 -0.874 0.000 0.930 737 R CB 1.269 31.237 30.300 -0.554 0.000 1.223 737 R HN 0.613 nan 8.270 nan 0.000 0.441 738 I N 4.157 123.553 120.570 -1.957 0.000 2.301 738 I HA 0.168 4.339 4.170 0.001 0.000 0.292 738 I C -0.146 175.352 176.117 -1.031 0.000 1.046 738 I CA -0.226 60.230 61.300 -1.407 0.000 1.282 738 I CB 1.147 38.209 38.000 -1.562 0.000 1.409 738 I HN 0.609 nan 8.210 nan 0.000 0.484 739 Q N 6.883 126.340 119.800 -0.571 0.000 2.314 739 Q HA 0.402 4.743 4.340 0.001 0.000 0.259 739 Q C -0.877 175.011 176.000 -0.187 0.000 0.951 739 Q CA -0.383 55.227 55.803 -0.321 0.000 0.909 739 Q CB 1.040 29.673 28.738 -0.175 0.000 1.236 739 Q HN 0.360 nan 8.270 nan 0.000 0.444 740 I N 3.912 124.412 120.570 -0.117 0.000 2.395 740 I HA 0.189 4.360 4.170 0.001 0.000 0.289 740 I C 0.158 176.258 176.117 -0.029 0.000 1.023 740 I CA -0.370 60.896 61.300 -0.057 0.000 1.350 740 I CB 0.860 38.851 38.000 -0.015 0.000 1.409 740 I HN 0.670 nan 8.210 nan 0.000 0.507 741 N N 4.788 123.472 118.700 -0.027 0.000 2.645 741 N HA 0.041 4.782 4.740 0.001 0.000 0.233 741 N C 1.115 176.589 175.510 -0.060 0.000 1.058 741 N CA -0.106 52.917 53.050 -0.045 0.000 0.942 741 N CB 0.692 39.149 38.487 -0.050 0.000 1.210 741 N HN 0.692 nan 8.380 nan 0.000 0.512 742 T N 0.543 115.071 114.554 -0.043 0.000 2.995 742 T HA -0.027 4.324 4.350 0.001 0.000 0.269 742 T C 1.752 176.417 174.700 -0.059 0.000 1.091 742 T CA 0.676 62.754 62.100 -0.037 0.000 1.128 742 T CB -0.060 68.802 68.868 -0.010 0.000 0.891 742 T HN 0.395 nan 8.240 nan 0.000 0.492 743 L N 0.361 121.529 121.223 -0.092 0.000 2.270 743 L HA 0.143 4.484 4.340 0.001 0.000 0.210 743 L C 2.100 178.873 176.870 -0.161 0.000 1.104 743 L CA 0.900 55.677 54.840 -0.105 0.000 0.804 743 L CB -0.238 41.757 42.059 -0.105 0.000 0.937 743 L HN 0.192 nan 8.230 nan 0.000 0.450 744 D N -0.744 119.507 120.400 -0.249 0.000 2.354 744 D HA -0.007 4.633 4.640 0.001 0.000 0.209 744 D C 0.758 176.969 176.300 -0.147 0.000 1.015 744 D CA 0.155 53.971 54.000 -0.308 0.000 0.867 744 D CB 0.147 40.494 40.800 -0.755 0.000 0.933 744 D HN 0.209 nan 8.370 nan 0.000 0.520 745 C N 1.412 120.648 119.300 -0.107 0.000 2.657 745 C HA 0.024 4.485 4.460 0.001 0.000 0.420 745 C C 1.640 176.550 174.990 -0.133 0.000 1.323 745 C CA -0.116 58.855 59.018 -0.078 0.000 1.894 745 C CB -0.193 27.520 27.740 -0.044 0.000 2.681 745 C HN 0.179 nan 8.230 nan 0.000 0.613 746 M N 4.035 123.525 119.600 -0.184 0.000 2.371 746 M HA 0.201 4.682 4.480 0.001 0.000 0.246 746 M C 1.741 177.983 176.300 -0.097 0.000 1.103 746 M CA 1.031 56.200 55.300 -0.218 0.000 1.010 746 M CB -0.943 31.384 32.600 -0.454 0.000 1.457 746 M HN 1.186 nan 8.290 nan 0.000 0.486 747 G N 0.993 109.760 108.800 -0.055 0.000 2.160 747 G HA2 -0.326 3.635 3.960 0.001 0.000 0.251 747 G HA3 -0.326 3.635 3.960 0.001 0.000 0.251 747 G C 1.066 175.961 174.900 -0.009 0.000 1.008 747 G CA 0.563 45.650 45.100 -0.022 0.000 0.724 747 G HN 0.634 nan 8.290 nan 0.000 0.514 748 C N -1.960 117.337 119.300 -0.005 0.000 2.446 748 C HA 0.470 4.931 4.460 0.001 0.000 0.277 748 C C 2.669 177.667 174.990 0.013 0.000 1.275 748 C CA 1.505 60.528 59.018 0.009 0.000 1.727 748 C CB -0.823 26.930 27.740 0.022 0.000 2.010 748 C HN 2.436 nan 8.230 nan 0.000 0.486 749 G N 0.920 109.729 108.800 0.015 0.000 2.176 749 G HA2 -0.294 3.667 3.960 0.001 0.000 0.232 749 G HA3 -0.294 3.667 3.960 0.001 0.000 0.232 749 G C 0.460 175.373 174.900 0.021 0.000 0.986 749 G CA 0.617 45.728 45.100 0.019 0.000 0.643 749 G HN 0.595 nan 8.290 nan 0.000 0.522 750 N N 0.000 118.712 118.700 0.019 0.000 2.069 750 N HA -0.167 4.574 4.740 0.001 0.000 0.191 750 N C 2.731 178.255 175.510 0.023 0.000 1.031 750 N CA 2.693 55.754 53.050 0.018 0.000 0.852 750 N CB -0.483 38.008 38.487 0.008 0.000 1.018 750 N HN 0.958 nan 8.380 nan 0.000 0.423 751 C N 0.165 119.481 119.300 0.026 0.000 2.388 751 C HA -0.007 4.454 4.460 0.001 0.000 0.277 751 C C 2.739 177.755 174.990 0.043 0.000 1.210 751 C CA 0.618 59.656 59.018 0.035 0.000 1.743 751 C CB -1.474 26.286 27.740 0.034 0.000 2.047 751 C HN 0.393 nan 8.230 nan 0.000 0.458 752 A N 1.140 123.987 122.820 0.044 0.000 1.972 752 A HA -0.180 4.141 4.320 0.001 0.000 0.219 752 A C 1.902 179.509 177.584 0.038 0.000 1.169 752 A CA 2.255 54.321 52.037 0.048 0.000 0.635 752 A CB -0.987 18.040 19.000 0.044 0.000 0.810 752 A HN 0.710 nan 8.150 nan 0.000 0.446 753 D N -1.227 119.192 120.400 0.031 0.000 2.219 753 D HA -0.080 4.560 4.640 0.001 0.000 0.205 753 D C 1.354 177.669 176.300 0.025 0.000 0.970 753 D CA 0.906 54.922 54.000 0.026 0.000 0.851 753 D CB -0.035 40.780 40.800 0.024 0.000 0.943 753 D HN 0.298 nan 8.370 nan 0.000 0.488 754 I N 0.019 120.605 120.570 0.027 0.000 3.645 754 I HA 0.123 4.294 4.170 0.001 0.000 0.300 754 I C 0.251 176.381 176.117 0.021 0.000 1.260 754 I CA -0.102 61.210 61.300 0.021 0.000 1.365 754 I CB -0.112 37.900 38.000 0.020 0.000 1.077 754 I HN 0.106 nan 8.210 nan 0.000 0.439 755 C N 3.802 123.123 119.300 0.035 0.000 2.409 755 C HA -0.037 4.423 4.460 0.001 0.000 0.398 755 C C -0.375 174.632 174.990 0.028 0.000 1.507 755 C CA -0.897 58.149 59.018 0.045 0.000 1.460 755 C CB -0.033 27.747 27.740 0.067 0.000 2.472 755 C HN 0.287 nan 8.230 nan 0.000 0.614 756 P HA -0.068 nan 4.420 nan 0.000 0.214 756 P C -1.721 175.583 177.300 0.006 0.000 1.169 756 P CA 1.382 64.484 63.100 0.004 0.000 0.908 756 P CB -1.087 30.610 31.700 -0.006 0.000 0.791 757 P HA -0.015 nan 4.420 nan 0.000 0.265 757 P C 0.442 177.745 177.300 0.005 0.000 1.193 757 P CA 0.503 63.606 63.100 0.005 0.000 0.765 757 P CB 0.913 32.616 31.700 0.006 0.000 0.823 758 K N 0.892 121.292 120.400 0.000 0.000 2.032 758 K HA -0.098 4.223 4.320 0.001 0.000 0.209 758 K C 0.607 177.206 176.600 -0.001 0.000 1.048 758 K CA 1.163 57.450 56.287 0.000 0.000 0.927 758 K CB 0.018 32.517 32.500 -0.002 0.000 0.712 758 K HN 0.518 nan 8.250 nan 0.000 0.441 759 E N 2.547 122.744 120.200 -0.005 0.000 1.932 759 E HA 0.052 4.402 4.350 0.001 0.000 0.275 759 E C -0.471 176.124 176.600 -0.008 0.000 1.159 759 E CA 0.058 56.452 56.400 -0.010 0.000 0.905 759 E CB 0.494 30.183 29.700 -0.019 0.000 1.059 759 E HN 0.037 nan 8.360 nan 0.000 0.400 760 K N 0.856 121.256 120.400 0.001 0.000 2.518 760 K HA 0.043 4.363 4.320 0.001 0.000 0.276 760 K C 0.753 177.358 176.600 0.008 0.000 0.974 760 K CA 0.077 56.372 56.287 0.014 0.000 0.986 760 K CB 0.741 33.255 32.500 0.023 0.000 0.901 760 K HN 0.424 nan 8.250 nan 0.000 0.497 761 A N 3.132 125.976 122.820 0.039 0.000 2.348 761 A HA 0.214 4.535 4.320 0.001 0.000 0.224 761 A C 0.299 177.966 177.584 0.137 0.000 1.227 761 A CA 0.093 52.152 52.037 0.036 0.000 0.885 761 A CB 0.205 19.270 19.000 0.108 0.000 0.933 761 A HN 0.515 nan 8.150 nan 0.000 0.506 762 L N 0.486 121.783 121.223 0.122 0.000 2.439 762 L HA 0.547 4.888 4.340 0.001 0.000 0.270 762 L C -1.478 175.437 176.870 0.076 0.000 0.972 762 L CA -0.632 54.289 54.840 0.136 0.000 0.836 762 L CB 2.389 44.531 42.059 0.138 0.000 1.255 762 L HN -0.099 nan 8.230 nan 0.000 0.404 763 V N 3.688 123.642 119.914 0.066 0.000 2.709 763 V HA 0.463 4.583 4.120 0.001 0.000 0.308 763 V C 0.024 176.143 176.094 0.042 0.000 1.062 763 V CA -0.659 61.666 62.300 0.042 0.000 0.901 763 V CB 2.356 34.196 31.823 0.027 0.000 1.003 763 V HN 0.625 nan 8.190 nan 0.000 0.425 764 M N 4.620 124.240 119.600 0.032 0.000 2.200 764 M HA 0.444 4.925 4.480 0.001 0.000 0.355 764 M C -0.303 176.012 176.300 0.024 0.000 1.283 764 M CA 0.309 55.626 55.300 0.028 0.000 1.124 764 M CB 0.624 33.237 32.600 0.022 0.000 1.625 764 M HN 0.614 nan 8.290 nan 0.000 0.463 765 Q N 2.612 122.426 119.800 0.024 0.000 2.416 765 Q HA 0.553 4.894 4.340 0.001 0.000 0.281 765 Q C -2.543 173.469 176.000 0.020 0.000 1.067 765 Q CA -1.944 53.872 55.803 0.022 0.000 0.809 765 Q CB 1.634 30.388 28.738 0.026 0.000 1.418 765 Q HN 0.327 nan 8.270 nan 0.000 0.411 766 P HA -0.072 nan 4.420 nan 0.000 0.264 766 P C 0.846 178.158 177.300 0.021 0.000 1.183 766 P CA -0.026 63.085 63.100 0.018 0.000 0.763 766 P CB 0.488 32.199 31.700 0.019 0.000 0.807 767 L N 4.709 125.944 121.223 0.019 0.000 2.013 767 L HA -0.253 4.088 4.340 0.001 0.000 0.212 767 L C 1.510 178.396 176.870 0.027 0.000 1.073 767 L CA 2.463 57.315 54.840 0.020 0.000 0.753 767 L CB -1.422 40.648 42.059 0.018 0.000 0.890 767 L HN 0.399 nan 8.230 nan 0.000 0.432 768 D N -2.117 118.302 120.400 0.032 0.000 2.309 768 D HA -0.203 4.438 4.640 0.001 0.000 0.212 768 D C 1.840 178.162 176.300 0.036 0.000 0.968 768 D CA 1.347 55.371 54.000 0.039 0.000 0.882 768 D CB -1.011 39.819 40.800 0.049 0.000 0.918 768 D HN 0.579 nan 8.370 nan 0.000 0.503 769 T N -3.984 110.589 114.554 0.032 0.000 3.088 769 T HA -0.001 4.350 4.350 0.001 0.000 0.259 769 T C 1.489 176.208 174.700 0.031 0.000 1.122 769 T CA 0.348 62.466 62.100 0.030 0.000 1.095 769 T CB 0.104 68.988 68.868 0.027 0.000 0.930 769 T HN 0.028 nan 8.240 nan 0.000 0.508 770 Q N 0.766 120.585 119.800 0.031 0.000 2.391 770 Q HA 0.213 4.554 4.340 0.001 0.000 0.243 770 Q C 2.500 178.519 176.000 0.032 0.000 0.874 770 Q CA 0.385 56.208 55.803 0.033 0.000 0.950 770 Q CB 0.012 28.770 28.738 0.032 0.000 1.103 770 Q HN 0.747 nan 8.270 nan 0.000 0.544 771 R N 1.081 121.599 120.500 0.029 0.000 2.083 771 R HA -0.127 4.214 4.340 0.001 0.000 0.237 771 R C 0.969 177.287 176.300 0.030 0.000 1.137 771 R CA 1.700 57.816 56.100 0.027 0.000 0.951 771 R CB -0.431 29.884 30.300 0.025 0.000 0.851 771 R HN -0.035 nan 8.270 nan 0.000 0.434 772 D N 1.209 121.628 120.400 0.032 0.000 2.123 772 D HA -0.122 4.518 4.640 0.001 0.000 0.196 772 D C 1.955 178.276 176.300 0.035 0.000 0.992 772 D CA 1.915 55.934 54.000 0.031 0.000 0.833 772 D CB -0.183 40.635 40.800 0.029 0.000 0.954 772 D HN 0.476 nan 8.370 nan 0.000 0.455 773 A N 0.632 123.476 122.820 0.039 0.000 1.855 773 A HA -0.111 4.210 4.320 0.001 0.000 0.213 773 A C 2.059 179.681 177.584 0.062 0.000 1.195 773 A CA 0.890 52.956 52.037 0.048 0.000 0.610 773 A CB -0.303 18.726 19.000 0.049 0.000 0.837 773 A HN 0.017 nan 8.150 nan 0.000 0.444 774 Q N -0.029 119.805 119.800 0.057 0.000 2.297 774 Q HA -0.030 4.311 4.340 0.001 0.000 0.204 774 Q C 2.195 178.231 176.000 0.059 0.000 0.962 774 Q CA 1.104 56.944 55.803 0.062 0.000 0.879 774 Q CB -0.865 27.899 28.738 0.044 0.000 0.947 774 Q HN 0.441 nan 8.270 nan 0.000 0.462 775 V N 2.386 122.325 119.914 0.043 0.000 2.261 775 V HA -0.181 3.940 4.120 0.001 0.000 0.246 775 V C -0.660 175.466 176.094 0.053 0.000 1.047 775 V CA 2.145 64.465 62.300 0.033 0.000 1.015 775 V CB -1.538 30.297 31.823 0.020 0.000 0.642 775 V HN 0.255 nan 8.190 nan 0.000 0.446 776 P HA -0.133 nan 4.420 nan 0.000 0.219 776 P C 1.116 178.489 177.300 0.122 0.000 1.150 776 P CA 1.451 64.593 63.100 0.071 0.000 0.814 776 P CB -0.262 31.466 31.700 0.046 0.000 0.787 777 N N -0.288 118.511 118.700 0.165 0.000 2.244 777 N HA -0.073 4.668 4.740 0.001 0.000 0.183 777 N C 1.853 177.569 175.510 0.344 0.000 1.016 777 N CA 0.137 53.382 53.050 0.324 0.000 0.866 777 N CB -0.316 38.369 38.487 0.331 0.000 0.980 777 N HN 0.049 nan 8.380 nan 0.000 0.430 778 L N 1.937 123.270 121.223 0.184 0.000 2.072 778 L HA -0.109 4.232 4.340 0.001 0.000 0.205 778 L C 1.892 178.829 176.870 0.113 0.000 1.079 778 L CA 1.773 56.688 54.840 0.127 0.000 0.752 778 L CB -0.622 41.466 42.059 0.047 0.000 0.906 778 L HN 0.152 nan 8.230 nan 0.000 0.436 779 E N -0.210 120.048 120.200 0.097 0.000 2.021 779 E HA -0.320 4.031 4.350 0.001 0.000 0.200 779 E C 2.019 178.664 176.600 0.076 0.000 1.015 779 E CA 1.887 58.330 56.400 0.072 0.000 0.824 779 E CB -1.016 28.727 29.700 0.072 0.000 0.762 779 E HN 0.566 nan 8.360 nan 0.000 0.454 780 Y N 1.502 121.783 120.300 -0.031 0.000 2.053 780 Y HA -0.286 4.264 4.550 0.001 0.000 0.277 780 Y C 2.449 178.291 175.900 -0.097 0.000 1.159 780 Y CA 2.192 60.221 58.100 -0.118 0.000 1.125 780 Y CB -0.723 37.575 38.460 -0.269 0.000 0.969 780 Y HN 0.054 nan 8.280 nan 0.000 0.492 781 A N 0.345 123.223 122.820 0.097 0.000 2.032 781 A HA -0.174 4.147 4.320 0.001 0.000 0.221 781 A C 2.329 179.902 177.584 -0.018 0.000 1.165 781 A CA 1.912 54.023 52.037 0.123 0.000 0.645 781 A CB -1.494 17.732 19.000 0.377 0.000 0.807 781 A HN 0.671 nan 8.150 nan 0.000 0.453 782 A N -0.431 122.378 122.820 -0.018 0.000 2.066 782 A HA -0.049 4.272 4.320 0.001 0.000 0.218 782 A C 2.053 179.593 177.584 -0.073 0.000 1.157 782 A CA 1.206 53.227 52.037 -0.027 0.000 0.670 782 A CB -0.275 18.724 19.000 -0.001 0.000 0.804 782 A HN 0.571 nan 8.150 nan 0.000 0.453 783 R N -0.744 119.667 120.500 -0.149 0.000 2.317 783 R HA 0.334 4.674 4.340 0.001 0.000 0.208 783 R C -0.312 175.870 176.300 -0.196 0.000 0.914 783 R CA -0.088 55.913 56.100 -0.165 0.000 1.060 783 R CB 0.074 30.258 30.300 -0.193 0.000 1.015 783 R HN 0.417 nan 8.270 nan 0.000 0.498 784 I N 2.708 123.149 120.570 -0.215 0.000 2.441 784 I HA 0.144 4.315 4.170 0.001 0.000 0.287 784 I C -1.998 174.068 176.117 -0.085 0.000 1.049 784 I CA -2.347 58.852 61.300 -0.168 0.000 1.381 784 I CB 0.859 38.773 38.000 -0.144 0.000 1.409 784 I HN -0.275 nan 8.210 nan 0.000 0.523 785 P HA -0.019 nan 4.420 nan 0.000 0.261 785 P C -0.544 176.734 177.300 -0.037 0.000 1.183 785 P CA -0.066 63.010 63.100 -0.040 0.000 0.761 785 P CB 0.239 31.922 31.700 -0.027 0.000 0.785 786 V N 5.800 125.698 119.914 -0.027 0.000 2.479 786 V HA -0.006 4.115 4.120 0.001 0.000 0.281 786 V C 1.095 177.166 176.094 -0.037 0.000 1.031 786 V CA 0.203 62.495 62.300 -0.013 0.000 1.038 786 V CB 0.065 31.892 31.823 0.006 0.000 0.981 786 V HN 0.397 nan 8.190 nan 0.000 0.478 787 K N 3.988 124.329 120.400 -0.099 0.000 2.278 787 K HA 0.113 4.433 4.320 0.001 0.000 0.237 787 K C 1.363 177.900 176.600 -0.104 0.000 1.229 787 K CA 0.181 56.364 56.287 -0.173 0.000 1.155 787 K CB 0.202 32.449 32.500 -0.422 0.000 1.590 787 K HN 0.855 nan 8.250 nan 0.000 0.290 788 S N -0.063 115.621 115.700 -0.027 0.000 2.522 788 S HA -0.026 4.444 4.470 0.001 0.000 0.227 788 S C 0.914 175.517 174.600 0.004 0.000 0.986 788 S CA 0.391 58.600 58.200 0.014 0.000 0.929 788 S CB 0.155 63.361 63.200 0.011 0.000 0.769 788 S HN 0.302 nan 8.310 nan 0.000 0.529 789 E N 0.912 121.099 120.200 -0.021 0.000 2.476 789 E HA 0.231 4.582 4.350 0.001 0.000 0.199 789 E C 1.820 178.410 176.600 -0.017 0.000 1.021 789 E CA 0.141 56.535 56.400 -0.010 0.000 0.907 789 E CB -0.018 29.680 29.700 -0.003 0.000 0.974 789 E HN 0.447 nan 8.360 nan 0.000 0.489 790 V N 0.792 120.669 119.914 -0.061 0.000 2.323 790 V HA -0.066 4.055 4.120 0.001 0.000 0.244 790 V C 1.363 177.453 176.094 -0.007 0.000 1.041 790 V CA 1.216 63.472 62.300 -0.074 0.000 1.025 790 V CB -0.145 31.527 31.823 -0.251 0.000 0.656 790 V HN 0.091 nan 8.190 nan 0.000 0.451 791 L N -0.938 120.311 121.223 0.043 0.000 2.286 791 L HA 0.486 4.826 4.340 0.001 0.000 0.265 791 L C -2.553 174.354 176.870 0.062 0.000 1.012 791 L CA -2.069 52.817 54.840 0.077 0.000 0.818 791 L CB 1.000 43.150 42.059 0.152 0.000 1.337 791 L HN -0.041 nan 8.230 nan 0.000 0.438 792 P HA 0.082 nan 4.420 nan 0.000 0.265 792 P C 0.095 177.409 177.300 0.023 0.000 1.193 792 P CA -0.078 63.039 63.100 0.028 0.000 0.765 792 P CB 0.645 32.358 31.700 0.021 0.000 0.823 793 R N 3.149 123.651 120.500 0.005 0.000 2.105 793 R HA -0.177 4.164 4.340 0.001 0.000 0.239 793 R C 0.887 177.157 176.300 -0.050 0.000 1.135 793 R CA 1.990 58.076 56.100 -0.023 0.000 0.967 793 R CB -0.222 30.048 30.300 -0.049 0.000 0.861 793 R HN 0.543 nan 8.270 nan 0.000 0.442 794 D N -0.171 120.200 120.400 -0.048 0.000 2.325 794 D HA -0.032 4.609 4.640 0.001 0.000 0.225 794 D C 0.014 176.304 176.300 -0.016 0.000 1.096 794 D CA -0.073 53.893 54.000 -0.056 0.000 0.844 794 D CB 0.074 40.841 40.800 -0.055 0.000 0.925 794 D HN 0.156 nan 8.370 nan 0.000 0.513 795 S N -0.762 114.937 115.700 -0.003 0.000 2.632 795 S HA 0.244 4.715 4.470 0.001 0.000 0.271 795 S C 1.306 175.903 174.600 -0.005 0.000 1.260 795 S CA -0.941 57.257 58.200 -0.004 0.000 1.010 795 S CB 1.767 64.969 63.200 0.002 0.000 0.965 795 S HN 0.161 nan 8.310 nan 0.000 0.534 796 L N 1.126 122.318 121.223 -0.052 0.000 1.971 796 L HA -0.166 4.175 4.340 0.001 0.000 0.215 796 L C 2.781 179.601 176.870 -0.083 0.000 1.072 796 L CA 1.885 56.652 54.840 -0.122 0.000 0.758 796 L CB -0.450 41.472 42.059 -0.228 0.000 0.889 796 L HN 0.932 nan 8.230 nan 0.000 0.433 797 K N -0.833 119.501 120.400 -0.111 0.000 2.057 797 K HA -0.129 4.192 4.320 0.001 0.000 0.206 797 K C 1.889 178.342 176.600 -0.245 0.000 1.050 797 K CA 1.207 57.383 56.287 -0.185 0.000 0.935 797 K CB -0.289 32.139 32.500 -0.121 0.000 0.715 797 K HN 0.527 nan 8.250 nan 0.000 0.439 798 G N 0.636 109.407 108.800 -0.049 0.000 2.422 798 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 798 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 798 G C 1.497 176.403 174.900 0.010 0.000 1.146 798 G CA 1.233 46.370 45.100 0.062 0.000 0.769 798 G HN 0.486 nan 8.290 nan 0.000 0.547 799 S N 0.210 115.906 115.700 -0.008 0.000 2.387 799 S HA -0.155 4.315 4.470 0.001 0.000 0.230 799 S C 2.007 176.578 174.600 -0.049 0.000 1.035 799 S CA 1.521 59.717 58.200 -0.006 0.000 1.014 799 S CB -0.262 62.992 63.200 0.089 0.000 0.836 799 S HN 0.317 nan 8.310 nan 0.000 0.466 800 Q N 0.035 119.764 119.800 -0.118 0.000 2.482 800 Q HA 0.290 4.631 4.340 0.001 0.000 0.209 800 Q C 0.597 176.476 176.000 -0.202 0.000 0.961 800 Q CA 0.387 56.079 55.803 -0.185 0.000 0.945 800 Q CB -0.516 28.095 28.738 -0.213 0.000 1.012 800 Q HN 0.804 nan 8.270 nan 0.000 0.515 801 F N 0.341 120.290 119.950 -0.001 0.000 2.641 801 F HA 0.144 4.672 4.527 0.002 0.000 0.302 801 F C 0.783 176.557 175.800 -0.043 0.000 1.098 801 F CA -0.545 57.440 58.000 -0.025 0.000 1.318 801 F CB 0.807 39.788 39.000 -0.031 0.000 1.035 801 F HN -0.106 nan 8.300 nan 0.000 0.551 802 Q N 0.802 120.653 119.800 0.084 0.000 2.215 802 Q HA 0.243 4.584 4.340 0.001 0.000 0.256 802 Q C -0.273 175.719 176.000 -0.014 0.000 0.972 802 Q CA -0.449 55.364 55.803 0.017 0.000 0.889 802 Q CB 1.281 29.998 28.738 -0.034 0.000 1.281 802 Q HN 0.304 nan 8.270 nan 0.000 0.456 803 E N 3.286 123.470 120.200 -0.027 0.000 2.257 803 E HA 0.163 4.514 4.350 0.001 0.000 0.278 803 E C -2.070 174.484 176.600 -0.078 0.000 1.049 803 E CA -1.515 54.858 56.400 -0.046 0.000 0.876 803 E CB 0.648 30.325 29.700 -0.038 0.000 1.035 803 E HN 0.194 nan 8.360 nan 0.000 0.419 804 P HA 0.082 nan 4.420 nan 0.000 0.285 804 P C -0.108 177.102 177.300 -0.151 0.000 1.259 804 P CA -0.049 62.963 63.100 -0.148 0.000 0.794 804 P CB 0.875 32.462 31.700 -0.189 0.000 0.940 805 L N 2.775 123.928 121.223 -0.117 0.000 2.928 805 L HA 0.378 4.718 4.340 0.001 0.000 0.246 805 L C 0.688 177.491 176.870 -0.111 0.000 1.239 805 L CA 0.263 55.056 54.840 -0.077 0.000 1.035 805 L CB 0.017 42.084 42.059 0.012 0.000 1.360 805 L HN 0.383 nan 8.230 nan 0.000 0.529 806 M N 1.545 120.985 119.600 -0.267 0.000 2.221 806 M HA 0.405 4.886 4.480 0.001 0.000 0.259 806 M C -1.746 174.265 176.300 -0.481 0.000 1.001 806 M CA 0.173 55.194 55.300 -0.465 0.000 1.009 806 M CB 1.936 34.193 32.600 -0.573 0.000 1.939 806 M HN 0.129 nan 8.290 nan 0.000 0.477 807 E N 4.102 123.966 120.200 -0.560 0.000 2.390 807 E HA 0.532 4.883 4.350 0.001 0.000 0.277 807 E C -0.881 175.329 176.600 -0.650 0.000 0.939 807 E CA -0.853 55.048 56.400 -0.831 0.000 0.769 807 E CB 1.873 30.645 29.700 -1.547 0.000 1.251 807 E HN 0.688 nan 8.360 nan 0.000 0.450 808 F N 0.053 119.970 119.950 -0.056 0.000 3.067 808 F HA -0.279 4.248 4.527 0.001 0.000 0.279 808 F C 0.876 176.716 175.800 0.067 0.000 0.945 808 F CA 0.210 58.233 58.000 0.039 0.000 0.948 808 F CB -1.804 37.196 39.000 -0.001 0.000 0.898 808 F HN 0.408 nan 8.300 nan 0.000 0.746 809 S N 0.641 116.405 115.700 0.108 0.000 2.626 809 S HA 0.521 4.992 4.470 0.001 0.000 0.257 809 S C 1.295 176.031 174.600 0.228 0.000 1.288 809 S CA -0.128 58.138 58.200 0.109 0.000 0.980 809 S CB 1.596 64.784 63.200 -0.021 0.000 0.975 809 S HN 0.464 nan 8.310 nan 0.000 0.577 810 G N -0.566 108.384 108.800 0.251 0.000 3.314 810 G HA2 0.496 4.457 3.960 0.001 0.000 0.238 810 G HA3 0.496 4.457 3.960 0.001 0.000 0.238 810 G C 0.431 175.491 174.900 0.266 0.000 1.184 810 G CA 0.013 45.265 45.100 0.254 0.000 0.806 810 G HN 1.079 nan 8.290 nan 0.000 0.536 811 A N -0.437 122.501 122.820 0.197 0.000 2.406 811 A HA 0.422 4.743 4.320 0.001 0.000 0.243 811 A C 0.912 178.614 177.584 0.197 0.000 1.082 811 A CA -0.271 51.814 52.037 0.080 0.000 0.786 811 A CB 0.035 18.738 19.000 -0.496 0.000 1.029 811 A HN 0.380 nan 8.150 nan 0.000 0.495 812 C N 0.657 120.038 119.300 0.135 0.000 2.727 812 C HA 0.327 4.787 4.460 0.001 0.000 0.401 812 C C 1.563 176.659 174.990 0.177 0.000 1.294 812 C CA -0.074 59.021 59.018 0.128 0.000 2.134 812 C CB -0.225 27.563 27.740 0.081 0.000 2.724 812 C HN 0.921 nan 8.230 nan 0.000 0.677 813 S N 1.006 116.767 115.700 0.101 0.000 2.525 813 S HA 0.391 4.861 4.470 0.001 0.000 0.285 813 S C 1.214 175.865 174.600 0.085 0.000 1.283 813 S CA 0.817 59.058 58.200 0.069 0.000 1.072 813 S CB -0.364 62.830 63.200 -0.010 0.000 0.867 813 S HN 1.994 nan 8.310 nan 0.000 0.492 814 G N 3.085 111.950 108.800 0.109 0.000 2.159 814 G HA2 -0.281 3.680 3.960 0.001 0.000 0.256 814 G HA3 -0.281 3.680 3.960 0.001 0.000 0.256 814 G C 0.645 175.546 174.900 0.002 0.000 0.977 814 G CA -0.058 45.067 45.100 0.042 0.000 0.652 814 G HN 1.248 nan 8.290 nan 0.000 0.531 815 C N 1.257 120.550 119.300 -0.012 0.000 2.378 815 C HA 0.416 4.877 4.460 0.001 0.000 0.395 815 C C 2.234 177.168 174.990 -0.094 0.000 1.476 815 C CA 1.256 60.231 59.018 -0.072 0.000 1.541 815 C CB -0.144 27.486 27.740 -0.183 0.000 2.524 815 C HN 1.124 nan 8.230 nan 0.000 0.595 816 G N 3.324 112.098 108.800 -0.043 0.000 2.813 816 G HA2 -0.002 3.959 3.960 0.001 0.000 0.209 816 G HA3 -0.002 3.959 3.960 0.001 0.000 0.209 816 G C 1.322 176.264 174.900 0.069 0.000 1.150 816 G CA 0.380 45.469 45.100 -0.018 0.000 0.785 816 G HN 0.915 nan 8.290 nan 0.000 0.535 817 E N 0.373 120.606 120.200 0.055 0.000 2.060 817 E HA -0.083 4.268 4.350 0.001 0.000 0.189 817 E C 2.837 179.483 176.600 0.077 0.000 0.974 817 E CA 1.321 57.835 56.400 0.190 0.000 0.808 817 E CB -0.146 29.753 29.700 0.330 0.000 0.768 817 E HN 0.476 nan 8.360 nan 0.000 0.453 818 T N -0.371 113.991 114.554 -0.320 0.000 2.881 818 T HA -0.068 4.283 4.350 0.001 0.000 0.270 818 T C -1.208 173.287 174.700 -0.342 0.000 1.068 818 T CA 0.550 62.328 62.100 -0.536 0.000 1.131 818 T CB -1.248 67.059 68.868 -0.936 0.000 0.871 818 T HN -0.011 nan 8.240 nan 0.000 0.479 819 P HA -0.015 nan 4.420 nan 0.000 0.216 819 P C 0.893 178.003 177.300 -0.317 0.000 1.153 819 P CA 0.953 63.838 63.100 -0.358 0.000 0.848 819 P CB -0.227 31.218 31.700 -0.426 0.000 0.787 820 Y N -1.016 119.180 120.300 -0.174 0.000 2.145 820 Y HA -0.176 4.375 4.550 0.001 0.000 0.286 820 Y C 2.372 178.210 175.900 -0.104 0.000 1.145 820 Y CA 0.756 58.780 58.100 -0.127 0.000 1.148 820 Y CB -1.316 37.162 38.460 0.030 0.000 0.981 820 Y HN -0.257 nan 8.280 nan 0.000 0.507 821 V N 0.192 120.149 119.914 0.072 0.000 2.427 821 V HA -0.295 3.826 4.120 0.001 0.000 0.248 821 V C 2.400 178.490 176.094 -0.008 0.000 1.051 821 V CA 2.014 64.338 62.300 0.039 0.000 1.048 821 V CB -0.601 31.371 31.823 0.248 0.000 0.666 821 V HN 0.323 nan 8.190 nan 0.000 0.456 822 R N 0.511 120.938 120.500 -0.122 0.000 2.080 822 R HA -0.172 4.169 4.340 0.001 0.000 0.236 822 R C 2.377 178.564 176.300 -0.188 0.000 1.137 822 R CA 2.244 58.232 56.100 -0.188 0.000 0.943 822 R CB -0.515 29.624 30.300 -0.268 0.000 0.846 822 R HN 0.479 nan 8.270 nan 0.000 0.431 823 V N -0.370 119.409 119.914 -0.225 0.000 2.515 823 V HA -0.125 3.996 4.120 0.001 0.000 0.250 823 V C 2.030 177.995 176.094 -0.215 0.000 1.058 823 V CA 1.656 63.796 62.300 -0.267 0.000 1.064 823 V CB -0.415 31.168 31.823 -0.400 0.000 0.675 823 V HN 0.361 nan 8.190 nan 0.000 0.461 824 I N 2.231 122.708 120.570 -0.154 0.000 2.208 824 I HA -0.232 3.939 4.170 0.001 0.000 0.245 824 I C 2.875 178.898 176.117 -0.156 0.000 1.097 824 I CA 2.291 63.469 61.300 -0.204 0.000 1.363 824 I CB -0.752 37.081 38.000 -0.279 0.000 1.051 824 I HN 0.611 nan 8.210 nan 0.000 0.413 825 T N -2.098 112.409 114.554 -0.078 0.000 2.995 825 T HA -0.167 4.184 4.350 0.001 0.000 0.269 825 T C 1.698 176.338 174.700 -0.101 0.000 1.091 825 T CA 0.871 62.951 62.100 -0.033 0.000 1.128 825 T CB -0.261 68.627 68.868 0.034 0.000 0.891 825 T HN 0.405 nan 8.240 nan 0.000 0.492 826 Q N -0.087 119.616 119.800 -0.162 0.000 2.297 826 Q HA 0.142 4.482 4.340 0.001 0.000 0.204 826 Q C 1.686 177.549 176.000 -0.230 0.000 0.962 826 Q CA 0.810 56.512 55.803 -0.169 0.000 0.879 826 Q CB -0.106 28.527 28.738 -0.174 0.000 0.947 826 Q HN 0.417 nan 8.270 nan 0.000 0.462 827 L N -2.275 118.710 121.223 -0.396 0.000 2.357 827 L HA 0.091 4.432 4.340 0.001 0.000 0.211 827 L C 0.877 177.296 176.870 -0.751 0.000 1.075 827 L CA 1.276 55.698 54.840 -0.697 0.000 0.830 827 L CB 0.354 41.711 42.059 -1.170 0.000 0.996 827 L HN 0.138 nan 8.230 nan 0.000 0.467 828 F N -2.536 117.391 119.950 -0.038 0.000 2.871 828 F HA 0.340 4.868 4.527 0.001 0.000 0.344 828 F C 2.119 177.916 175.800 -0.004 0.000 1.078 828 F CA 0.175 58.181 58.000 0.011 0.000 1.149 828 F CB -0.649 38.390 39.000 0.065 0.000 1.087 828 F HN -0.062 nan 8.300 nan 0.000 0.557 829 G N 1.910 110.769 108.800 0.098 0.000 2.703 829 G HA2 -0.396 3.565 3.960 0.001 0.000 0.222 829 G HA3 -0.396 3.565 3.960 0.001 0.000 0.222 829 G C 1.658 176.594 174.900 0.059 0.000 1.183 829 G CA 1.751 46.892 45.100 0.069 0.000 0.775 829 G HN 0.449 nan 8.290 nan 0.000 0.615 830 E N 1.635 121.864 120.200 0.049 0.000 2.331 830 E HA -0.218 4.133 4.350 0.001 0.000 0.199 830 E C 1.839 178.456 176.600 0.028 0.000 1.008 830 E CA 1.379 57.797 56.400 0.031 0.000 0.843 830 E CB -0.283 29.435 29.700 0.030 0.000 0.761 830 E HN 0.753 nan 8.360 nan 0.000 0.507 831 R N 0.501 121.043 120.500 0.070 0.000 2.642 831 R HA 0.353 4.693 4.340 0.001 0.000 0.435 831 R C 0.562 176.905 176.300 0.071 0.000 1.046 831 R CA -0.320 55.816 56.100 0.060 0.000 1.103 831 R CB -0.234 30.138 30.300 0.120 0.000 1.425 831 R HN 0.114 nan 8.270 nan 0.000 0.586 832 M N -0.720 118.904 119.600 0.040 0.000 2.508 832 M HA 0.565 5.046 4.480 0.001 0.000 0.327 832 M C -1.482 174.784 176.300 -0.057 0.000 1.160 832 M CA -0.749 54.614 55.300 0.105 0.000 0.980 832 M CB 1.552 34.257 32.600 0.175 0.000 1.693 832 M HN -0.183 nan 8.290 nan 0.000 0.452 833 F N 2.051 122.028 119.950 0.045 0.000 2.458 833 F HA 0.699 5.227 4.527 0.001 0.000 0.330 833 F C -0.351 175.376 175.800 -0.123 0.000 1.082 833 F CA -0.539 57.425 58.000 -0.060 0.000 0.995 833 F CB 1.864 40.808 39.000 -0.094 0.000 1.170 833 F HN 0.477 nan 8.300 nan 0.000 0.478 834 I N 2.529 123.049 120.570 -0.084 0.000 2.468 834 I HA 0.432 4.603 4.170 0.001 0.000 0.285 834 I C -0.820 175.014 176.117 -0.472 0.000 1.039 834 I CA -0.795 60.283 61.300 -0.370 0.000 1.074 834 I CB 1.822 39.427 38.000 -0.657 0.000 1.228 834 I HN 0.638 nan 8.210 nan 0.000 0.436 835 A N 5.092 127.698 122.820 -0.357 0.000 2.294 835 A HA 0.451 4.772 4.320 0.001 0.000 0.316 835 A C -0.442 176.954 177.584 -0.312 0.000 1.359 835 A CA -0.381 51.491 52.037 -0.274 0.000 0.956 835 A CB -0.051 18.852 19.000 -0.161 0.000 1.155 835 A HN 0.784 nan 8.150 nan 0.000 0.544 836 N N 1.713 120.115 118.700 -0.497 0.000 2.425 836 N HA 0.532 5.272 4.740 0.001 0.000 0.268 836 N C 0.163 175.475 175.510 -0.330 0.000 0.991 836 N CA -0.137 52.653 53.050 -0.433 0.000 0.931 836 N CB 1.093 39.179 38.487 -0.668 0.000 1.130 836 N HN 0.754 nan 8.380 nan 0.000 0.493 837 A N 2.509 125.110 122.820 -0.364 0.000 2.445 837 A HA 0.192 4.513 4.320 0.001 0.000 0.242 837 A C 0.328 177.893 177.584 -0.033 0.000 1.075 837 A CA -0.145 51.698 52.037 -0.324 0.000 0.777 837 A CB 0.075 18.655 19.000 -0.700 0.000 1.013 837 A HN 0.637 nan 8.150 nan 0.000 0.493 838 T N 1.282 115.903 114.554 0.111 0.000 2.940 838 T HA 0.498 4.849 4.350 0.001 0.000 0.309 838 T C 0.733 175.425 174.700 -0.014 0.000 1.056 838 T CA 1.061 63.188 62.100 0.046 0.000 1.137 838 T CB 0.544 69.429 68.868 0.028 0.000 0.976 838 T HN 1.768 nan 8.240 nan 0.000 0.547 839 G N 0.156 108.908 108.800 -0.079 0.000 2.356 839 G HA2 0.110 4.070 3.960 0.001 0.000 0.288 839 G HA3 0.110 4.070 3.960 0.001 0.000 0.288 839 G C 0.791 175.644 174.900 -0.078 0.000 1.302 839 G CA -0.294 44.760 45.100 -0.077 0.000 0.887 839 G HN 0.683 nan 8.290 nan 0.000 0.521 840 C N 0.374 119.657 119.300 -0.027 0.000 2.391 840 C HA -0.105 4.355 4.460 0.001 0.000 0.276 840 C C 3.402 178.127 174.990 -0.441 0.000 1.217 840 C CA 2.854 61.855 59.018 -0.028 0.000 1.766 840 C CB -1.306 26.545 27.740 0.186 0.000 2.046 840 C HN 1.120 nan 8.230 nan 0.000 0.475 841 S N 0.862 116.289 115.700 -0.455 0.000 2.442 841 S HA -0.133 4.338 4.470 0.001 0.000 0.236 841 S C 1.680 175.819 174.600 -0.769 0.000 1.007 841 S CA 1.674 59.225 58.200 -1.081 0.000 0.965 841 S CB -0.562 62.477 63.200 -0.268 0.000 0.773 841 S HN 0.813 nan 8.310 nan 0.000 0.504 842 S N 1.222 116.772 115.700 -0.250 0.000 2.439 842 S HA 0.185 4.656 4.470 0.001 0.000 0.224 842 S C 1.759 176.332 174.600 -0.045 0.000 1.029 842 S CA 0.123 58.377 58.200 0.091 0.000 0.946 842 S CB -0.444 62.837 63.200 0.134 0.000 0.797 842 S HN 0.366 nan 8.310 nan 0.000 0.504 843 I N 2.386 122.870 120.570 -0.144 0.000 2.233 843 I HA -0.004 4.166 4.170 0.001 0.000 0.243 843 I C 2.622 178.747 176.117 0.012 0.000 1.093 843 I CA 0.826 62.094 61.300 -0.054 0.000 1.380 843 I CB -1.701 36.291 38.000 -0.015 0.000 1.067 843 I HN 0.652 nan 8.210 nan 0.000 0.413 844 W N 0.929 122.280 121.300 0.084 0.000 2.584 844 W HA 0.167 4.828 4.660 0.002 0.000 0.264 844 W C 1.830 178.362 176.519 0.022 0.000 1.264 844 W CA 0.702 58.079 57.345 0.053 0.000 1.306 844 W CB -1.366 28.121 29.460 0.045 0.000 1.110 844 W HN 0.125 nan 8.180 nan 0.000 0.606 845 G N 1.097 109.850 108.800 -0.077 0.000 2.464 845 G HA2 0.176 4.137 3.960 0.001 0.000 0.217 845 G HA3 0.176 4.137 3.960 0.001 0.000 0.217 845 G C 0.970 175.658 174.900 -0.354 0.000 1.138 845 G CA 0.992 46.051 45.100 -0.067 0.000 0.793 845 G HN 0.327 nan 8.290 nan 0.000 0.539 846 A N -0.188 122.450 122.820 -0.304 0.000 3.368 846 A HA 0.577 4.898 4.320 0.001 0.000 0.211 846 A C 0.028 177.516 177.584 -0.161 0.000 1.004 846 A CA -0.288 51.546 52.037 -0.338 0.000 1.059 846 A CB 0.035 18.640 19.000 -0.658 0.000 1.298 846 A HN 0.029 nan 8.150 nan 0.000 0.613 847 S N 1.827 117.480 115.700 -0.077 0.000 2.416 847 S HA 0.529 5.000 4.470 0.001 0.000 0.287 847 S C 0.836 175.383 174.600 -0.089 0.000 1.139 847 S CA 0.148 58.321 58.200 -0.046 0.000 1.058 847 S CB 0.780 63.998 63.200 0.030 0.000 0.967 847 S HN 1.166 nan 8.310 nan 0.000 0.495 848 A N 5.395 128.094 122.820 -0.200 0.000 2.561 848 A HA 0.268 4.588 4.320 0.001 0.000 0.234 848 A C -1.027 176.532 177.584 -0.041 0.000 1.055 848 A CA -0.646 51.195 52.037 -0.326 0.000 0.756 848 A CB -0.083 18.645 19.000 -0.454 0.000 0.986 848 A HN 0.629 nan 8.150 nan 0.000 0.505 849 P HA 0.107 nan 4.420 nan 0.000 0.272 849 P C 0.061 177.524 177.300 0.273 0.000 1.408 849 P CA 0.071 63.306 63.100 0.224 0.000 0.996 849 P CB 0.307 32.239 31.700 0.386 0.000 1.481 850 S N 1.470 117.272 115.700 0.169 0.000 2.416 850 S HA 0.450 4.921 4.470 0.001 0.000 0.287 850 S C 0.121 174.804 174.600 0.139 0.000 1.139 850 S CA -0.488 57.837 58.200 0.208 0.000 1.058 850 S CB -0.406 62.910 63.200 0.194 0.000 0.967 850 S HN -0.113 nan 8.310 nan 0.000 0.495 851 M N 8.192 127.900 119.600 0.180 0.000 2.036 851 M HA 0.331 4.812 4.480 0.001 0.000 0.337 851 M C -1.832 174.519 176.300 0.085 0.000 1.012 851 M CA -2.836 52.526 55.300 0.104 0.000 0.962 851 M CB 1.115 33.804 32.600 0.149 0.000 1.423 851 M HN 0.404 nan 8.290 nan 0.000 0.405 852 P HA -0.098 nan 4.420 nan 0.000 0.220 852 P C 0.021 177.207 177.300 -0.190 0.000 1.152 852 P CA 1.020 64.067 63.100 -0.089 0.000 0.812 852 P CB 0.107 31.740 31.700 -0.111 0.000 0.792 853 Y N 1.986 122.239 120.300 -0.079 0.000 2.497 853 Y HA 0.101 4.652 4.550 0.002 0.000 0.334 853 Y C 1.621 177.488 175.900 -0.056 0.000 1.199 853 Y CA 0.374 58.435 58.100 -0.064 0.000 1.425 853 Y CB 0.408 38.825 38.460 -0.071 0.000 1.291 853 Y HN 0.036 nan 8.280 nan 0.000 0.562 854 K N -0.749 119.697 120.400 0.077 0.000 2.399 854 K HA 0.752 5.072 4.320 0.001 0.000 0.260 854 K C -1.052 175.568 176.600 0.033 0.000 1.049 854 K CA -1.107 55.196 56.287 0.027 0.000 0.890 854 K CB 1.435 33.904 32.500 -0.052 0.000 1.430 854 K HN 0.502 nan 8.250 nan 0.000 0.459 855 T N -1.120 113.443 114.554 0.015 0.000 2.944 855 T HA 0.323 4.673 4.350 0.001 0.000 0.284 855 T C 0.103 174.799 174.700 -0.006 0.000 1.010 855 T CA -0.848 61.257 62.100 0.009 0.000 1.025 855 T CB 0.727 69.601 68.868 0.009 0.000 1.079 855 T HN 0.730 nan 8.240 nan 0.000 0.516 856 N N 0.495 119.191 118.700 -0.006 0.000 2.366 856 N HA 0.168 4.909 4.740 0.001 0.000 0.277 856 N C 1.305 176.811 175.510 -0.007 0.000 1.275 856 N CA -1.077 51.967 53.050 -0.012 0.000 0.964 856 N CB 0.266 38.747 38.487 -0.009 0.000 1.167 856 N HN 0.822 nan 8.380 nan 0.000 0.568 857 R N -0.803 119.692 120.500 -0.008 0.000 2.293 857 R HA 0.001 4.342 4.340 0.001 0.000 0.219 857 R C 0.693 176.992 176.300 -0.001 0.000 1.091 857 R CA 1.105 57.202 56.100 -0.005 0.000 1.004 857 R CB -0.769 29.527 30.300 -0.008 0.000 0.865 857 R HN 0.536 nan 8.270 nan 0.000 0.469 858 L N 0.461 121.683 121.223 -0.001 0.000 2.628 858 L HA 0.303 4.644 4.340 0.001 0.000 0.229 858 L C 0.863 177.732 176.870 -0.001 0.000 1.137 858 L CA 0.375 55.215 54.840 0.000 0.000 0.909 858 L CB 0.476 42.537 42.059 0.002 0.000 1.137 858 L HN 0.569 nan 8.230 nan 0.000 0.470 859 G N 0.142 108.941 108.800 -0.001 0.000 2.143 859 G HA2 -0.270 3.691 3.960 0.001 0.000 0.249 859 G HA3 -0.270 3.691 3.960 0.001 0.000 0.249 859 G C 0.130 175.025 174.900 -0.008 0.000 0.981 859 G CA -0.042 45.057 45.100 -0.002 0.000 0.665 859 G HN 0.460 nan 8.290 nan 0.000 0.528 860 Q N -0.500 119.296 119.800 -0.007 0.000 2.226 860 Q HA 0.684 5.025 4.340 0.001 0.000 0.256 860 Q C 0.434 176.430 176.000 -0.007 0.000 0.962 860 Q CA -0.118 55.677 55.803 -0.014 0.000 0.887 860 Q CB 2.159 30.892 28.738 -0.008 0.000 1.282 860 Q HN 0.931 nan 8.270 nan 0.000 0.449 861 G N 0.828 109.619 108.800 -0.014 0.000 2.356 861 G HA2 0.350 4.311 3.960 0.001 0.000 0.294 861 G HA3 0.350 4.311 3.960 0.001 0.000 0.294 861 G C -3.103 171.792 174.900 -0.009 0.000 1.423 861 G CA -1.029 44.078 45.100 0.010 0.000 0.806 861 G HN 0.311 nan 8.290 nan 0.000 0.527 862 P HA 0.391 nan 4.420 nan 0.000 0.263 862 P C -0.029 177.243 177.300 -0.047 0.000 1.195 862 P CA 0.248 63.340 63.100 -0.013 0.000 0.762 862 P CB 0.988 32.717 31.700 0.049 0.000 0.799 863 A N 4.260 126.996 122.820 -0.139 0.000 2.539 863 A HA 0.198 4.519 4.320 0.001 0.000 0.306 863 A C -0.722 176.864 177.584 0.002 0.000 1.392 863 A CA -0.421 51.550 52.037 -0.110 0.000 1.060 863 A CB -0.765 18.021 19.000 -0.355 0.000 1.134 863 A HN 0.626 nan 8.150 nan 0.000 0.542 864 W N 2.647 123.848 121.300 -0.166 0.000 2.417 864 W HA 0.570 5.231 4.660 0.001 0.000 0.317 864 W C 0.318 176.803 176.519 -0.057 0.000 1.121 864 W CA 0.343 57.565 57.345 -0.204 0.000 1.208 864 W CB 1.660 30.880 29.460 -0.400 0.000 1.253 864 W HN 0.815 nan 8.180 nan 0.000 0.533 865 G N 3.738 112.300 108.800 -0.396 0.000 2.746 865 G HA2 0.278 4.239 3.960 0.001 0.000 0.297 865 G HA3 0.278 4.239 3.960 0.001 0.000 0.297 865 G C -2.175 172.378 174.900 -0.578 0.000 1.426 865 G CA -1.015 43.985 45.100 -0.166 0.000 0.989 865 G HN 0.460 nan 8.290 nan 0.000 0.520 866 N N 0.631 119.138 118.700 -0.322 0.000 2.407 866 N HA 0.505 5.246 4.740 0.001 0.000 0.277 866 N C 0.684 176.028 175.510 -0.276 0.000 0.995 866 N CA -0.146 52.713 53.050 -0.318 0.000 0.903 866 N CB 2.366 40.811 38.487 -0.069 0.000 1.218 866 N HN 0.325 nan 8.380 nan 0.000 0.487 867 S N 3.345 118.730 115.700 -0.526 0.000 2.356 867 S HA 0.486 4.957 4.470 0.001 0.000 0.179 867 S C 0.289 174.714 174.600 -0.292 0.000 0.940 867 S CA 0.266 58.065 58.200 -0.670 0.000 0.955 867 S CB -0.189 62.281 63.200 -1.216 0.000 0.861 867 S HN 0.496 nan 8.310 nan 0.000 0.527 868 L N -1.039 120.057 121.223 -0.212 0.000 2.170 868 L HA 0.505 4.846 4.340 0.001 0.000 0.247 868 L C 0.457 177.384 176.870 0.094 0.000 1.078 868 L CA -0.710 54.110 54.840 -0.034 0.000 0.936 868 L CB 0.550 42.602 42.059 -0.011 0.000 1.528 868 L HN 0.361 nan 8.230 nan 0.000 0.455 869 F N 1.218 121.177 119.950 0.015 0.000 2.219 869 F HA -0.028 4.500 4.527 0.001 0.000 0.294 869 F C 2.221 178.161 175.800 0.232 0.000 1.086 869 F CA 1.356 59.418 58.000 0.104 0.000 1.330 869 F CB -0.019 39.078 39.000 0.161 0.000 1.047 869 F HN 0.620 nan 8.300 nan 0.000 0.495 870 E N 0.002 120.263 120.200 0.101 0.000 2.435 870 E HA -0.100 4.251 4.350 0.001 0.000 0.195 870 E C 0.325 177.012 176.600 0.146 0.000 1.029 870 E CA 1.107 57.525 56.400 0.029 0.000 0.865 870 E CB -0.655 29.030 29.700 -0.025 0.000 0.833 870 E HN 0.561 nan 8.360 nan 0.000 0.510 871 D N 0.162 120.643 120.400 0.135 0.000 2.501 871 D HA 0.260 4.901 4.640 0.001 0.000 0.224 871 D C 1.378 177.779 176.300 0.168 0.000 1.202 871 D CA 0.323 54.406 54.000 0.138 0.000 0.829 871 D CB 0.421 41.248 40.800 0.045 0.000 1.023 871 D HN 0.102 nan 8.370 nan 0.000 0.499 872 A N 1.158 124.048 122.820 0.117 0.000 1.917 872 A HA -0.061 4.260 4.320 0.001 0.000 0.219 872 A C 2.378 180.052 177.584 0.150 0.000 1.182 872 A CA 2.392 54.392 52.037 -0.061 0.000 0.633 872 A CB -0.854 17.695 19.000 -0.751 0.000 0.819 872 A HN 0.403 nan 8.150 nan 0.000 0.448 873 A N -0.304 122.758 122.820 0.403 0.000 1.873 873 A HA -0.118 4.203 4.320 0.001 0.000 0.215 873 A C 1.865 179.609 177.584 0.267 0.000 1.186 873 A CA 1.847 54.110 52.037 0.377 0.000 0.616 873 A CB -0.559 18.702 19.000 0.435 0.000 0.823 873 A HN 0.534 nan 8.150 nan 0.000 0.442 874 E N -1.367 118.975 120.200 0.236 0.000 2.153 874 E HA -0.179 4.172 4.350 0.001 0.000 0.194 874 E C 1.752 178.525 176.600 0.288 0.000 0.988 874 E CA 1.325 57.863 56.400 0.230 0.000 0.811 874 E CB -0.425 29.360 29.700 0.143 0.000 0.746 874 E HN 0.746 nan 8.360 nan 0.000 0.466 875 Y N 0.899 121.247 120.300 0.080 0.000 2.163 875 Y HA -0.066 4.484 4.550 0.001 0.000 0.288 875 Y C 2.317 178.216 175.900 -0.002 0.000 1.136 875 Y CA 1.705 59.815 58.100 0.017 0.000 1.147 875 Y CB -0.763 37.674 38.460 -0.038 0.000 0.987 875 Y HN 0.036 nan 8.280 nan 0.000 0.509 876 G N -0.790 108.023 108.800 0.022 0.000 2.408 876 G HA2 -0.312 3.649 3.960 0.001 0.000 0.217 876 G HA3 -0.312 3.649 3.960 0.001 0.000 0.217 876 G C 1.689 176.557 174.900 -0.053 0.000 1.150 876 G CA 0.713 45.745 45.100 -0.113 0.000 0.776 876 G HN 0.469 nan 8.290 nan 0.000 0.542 877 F N 2.529 122.443 119.950 -0.061 0.000 2.161 877 F HA -0.021 4.507 4.527 0.001 0.000 0.300 877 F C 2.534 178.281 175.800 -0.088 0.000 1.089 877 F CA 1.516 59.482 58.000 -0.056 0.000 1.282 877 F CB -0.433 38.569 39.000 0.005 0.000 1.010 877 F HN 0.115 nan 8.300 nan 0.000 0.485 878 G N -0.103 108.669 108.800 -0.047 0.000 2.422 878 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 878 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 878 G C 1.658 176.399 174.900 -0.265 0.000 1.140 878 G CA 0.888 45.904 45.100 -0.139 0.000 0.775 878 G HN 0.393 nan 8.290 nan 0.000 0.545 879 M N 0.308 119.696 119.600 -0.353 0.000 2.175 879 M HA -0.042 4.439 4.480 0.001 0.000 0.264 879 M C 2.391 178.394 176.300 -0.495 0.000 1.063 879 M CA 1.008 56.006 55.300 -0.503 0.000 1.119 879 M CB -0.356 31.829 32.600 -0.692 0.000 1.377 879 M HN 0.276 nan 8.290 nan 0.000 0.415 880 N N 0.659 119.104 118.700 -0.425 0.000 2.142 880 N HA -0.136 4.605 4.740 0.001 0.000 0.186 880 N C 1.699 177.029 175.510 -0.301 0.000 1.023 880 N CA 1.329 54.166 53.050 -0.356 0.000 0.852 880 N CB 0.020 38.305 38.487 -0.337 0.000 0.998 880 N HN 0.350 nan 8.380 nan 0.000 0.424 881 M N 0.109 119.465 119.600 -0.406 0.000 2.149 881 M HA -0.137 4.344 4.480 0.001 0.000 0.261 881 M C 2.486 178.727 176.300 -0.099 0.000 1.064 881 M CA 1.164 56.296 55.300 -0.280 0.000 1.102 881 M CB -0.249 32.147 32.600 -0.340 0.000 1.369 881 M HN 0.143 nan 8.290 nan 0.000 0.408 882 S N 0.317 115.930 115.700 -0.145 0.000 2.355 882 S HA -0.118 4.353 4.470 0.001 0.000 0.222 882 S C 1.990 176.560 174.600 -0.050 0.000 1.031 882 S CA 1.027 59.175 58.200 -0.086 0.000 0.993 882 S CB 0.025 63.154 63.200 -0.119 0.000 0.859 882 S HN 0.300 nan 8.310 nan 0.000 0.453 883 M N 0.442 119.983 119.600 -0.099 0.000 2.080 883 M HA -0.034 4.447 4.480 0.001 0.000 0.260 883 M C 2.020 178.332 176.300 0.019 0.000 1.068 883 M CA 1.435 56.714 55.300 -0.034 0.000 1.109 883 M CB -1.617 30.940 32.600 -0.071 0.000 1.342 883 M HN 0.540 nan 8.290 nan 0.000 0.405 884 F N 1.129 121.025 119.950 -0.091 0.000 2.069 884 F HA -0.184 4.344 4.527 0.001 0.000 0.298 884 F C 2.389 178.176 175.800 -0.022 0.000 1.113 884 F CA 1.984 59.948 58.000 -0.060 0.000 1.214 884 F CB -0.478 38.460 39.000 -0.103 0.000 0.978 884 F HN 0.130 nan 8.300 nan 0.000 0.474 885 A N 0.834 123.717 122.820 0.105 0.000 1.865 885 A HA -0.238 4.082 4.320 0.001 0.000 0.217 885 A C 2.315 179.880 177.584 -0.032 0.000 1.191 885 A CA 2.147 54.202 52.037 0.031 0.000 0.623 885 A CB -0.874 18.172 19.000 0.077 0.000 0.826 885 A HN 0.509 nan 8.150 nan 0.000 0.444 886 R N -0.944 119.561 120.500 0.008 0.000 2.092 886 R HA -0.030 4.310 4.340 0.001 0.000 0.231 886 R C 2.377 178.702 176.300 0.042 0.000 1.119 886 R CA 1.358 57.490 56.100 0.053 0.000 0.970 886 R CB -0.248 30.080 30.300 0.047 0.000 0.864 886 R HN 0.486 nan 8.270 nan 0.000 0.440 887 R N -0.382 120.120 120.500 0.004 0.000 2.153 887 R HA 0.013 4.354 4.340 0.001 0.000 0.218 887 R C 1.914 178.223 176.300 0.014 0.000 1.072 887 R CA 1.215 57.354 56.100 0.066 0.000 0.990 887 R CB -0.068 30.292 30.300 0.100 0.000 0.889 887 R HN 0.141 nan 8.270 nan 0.000 0.452 888 T N -0.266 114.182 114.554 -0.177 0.000 2.821 888 T HA -0.161 4.190 4.350 0.001 0.000 0.267 888 T C 1.564 176.265 174.700 0.002 0.000 1.046 888 T CA 1.112 63.083 62.100 -0.214 0.000 1.139 888 T CB -0.222 68.364 68.868 -0.471 0.000 0.871 888 T HN 0.462 nan 8.240 nan 0.000 0.454 889 H N 0.278 119.301 119.070 -0.079 0.000 2.357 889 H HA -0.042 4.515 4.556 0.001 0.000 0.301 889 H C 2.349 177.671 175.328 -0.011 0.000 1.082 889 H CA 1.020 57.045 56.048 -0.037 0.000 1.342 889 H CB -0.090 29.653 29.762 -0.032 0.000 1.389 889 H HN 0.187 nan 8.280 nan 0.000 0.511 890 L N 1.196 122.406 121.223 -0.021 0.000 2.046 890 L HA -0.080 4.261 4.340 0.001 0.000 0.208 890 L C 2.494 179.374 176.870 0.016 0.000 1.077 890 L CA 1.955 56.734 54.840 -0.101 0.000 0.747 890 L CB -0.959 41.047 42.059 -0.088 0.000 0.896 890 L HN 0.334 nan 8.230 nan 0.000 0.432 891 A N -0.896 122.034 122.820 0.183 0.000 1.969 891 A HA -0.227 4.094 4.320 0.001 0.000 0.218 891 A C 2.019 179.679 177.584 0.126 0.000 1.169 891 A CA 1.578 53.781 52.037 0.277 0.000 0.635 891 A CB -0.889 18.246 19.000 0.225 0.000 0.810 891 A HN 0.621 nan 8.150 nan 0.000 0.445 892 D N -0.017 120.435 120.400 0.088 0.000 2.097 892 D HA -0.114 4.527 4.640 0.001 0.000 0.197 892 D C 1.782 178.116 176.300 0.056 0.000 0.984 892 D CA 1.237 55.280 54.000 0.072 0.000 0.826 892 D CB -0.227 40.630 40.800 0.095 0.000 0.973 892 D HN 0.398 nan 8.370 nan 0.000 0.460 893 L N 0.065 121.310 121.223 0.037 0.000 2.083 893 L HA -0.077 4.264 4.340 0.001 0.000 0.209 893 L C 2.606 179.466 176.870 -0.017 0.000 1.083 893 L CA 1.067 55.903 54.840 -0.007 0.000 0.752 893 L CB -0.530 41.479 42.059 -0.083 0.000 0.899 893 L HN 0.103 nan 8.230 nan 0.000 0.433 894 A N 0.015 122.829 122.820 -0.009 0.000 1.930 894 A HA -0.114 4.207 4.320 0.001 0.000 0.217 894 A C 2.531 180.127 177.584 0.020 0.000 1.175 894 A CA 1.600 53.635 52.037 -0.004 0.000 0.627 894 A CB -0.568 18.466 19.000 0.057 0.000 0.815 894 A HN 0.388 nan 8.150 nan 0.000 0.443 895 A N -0.154 122.687 122.820 0.035 0.000 1.930 895 A HA -0.091 4.230 4.320 0.001 0.000 0.217 895 A C 2.095 179.686 177.584 0.012 0.000 1.175 895 A CA 1.532 53.584 52.037 0.024 0.000 0.627 895 A CB -0.306 18.710 19.000 0.027 0.000 0.815 895 A HN 0.385 nan 8.150 nan 0.000 0.443 896 K N 0.054 120.461 120.400 0.012 0.000 2.026 896 K HA -0.094 4.227 4.320 0.001 0.000 0.208 896 K C 2.262 178.862 176.600 -0.000 0.000 1.048 896 K CA 1.298 57.589 56.287 0.007 0.000 0.929 896 K CB -0.740 31.767 32.500 0.010 0.000 0.713 896 K HN 0.432 nan 8.250 nan 0.000 0.439 897 A N 1.768 124.585 122.820 -0.006 0.000 1.978 897 A HA -0.139 4.182 4.320 0.001 0.000 0.220 897 A C 2.249 179.826 177.584 -0.010 0.000 1.170 897 A CA 1.240 53.269 52.037 -0.013 0.000 0.636 897 A CB -0.707 18.278 19.000 -0.026 0.000 0.810 897 A HN 0.203 nan 8.150 nan 0.000 0.448 898 L N -0.896 120.323 121.223 -0.007 0.000 2.265 898 L HA -0.135 4.206 4.340 0.001 0.000 0.215 898 L C 1.273 178.140 176.870 -0.006 0.000 1.117 898 L CA 1.075 55.910 54.840 -0.007 0.000 0.782 898 L CB -0.337 41.719 42.059 -0.005 0.000 0.914 898 L HN 0.458 nan 8.230 nan 0.000 0.441 899 E N -0.501 119.696 120.200 -0.004 0.000 2.411 899 E HA 0.076 4.427 4.350 0.001 0.000 0.204 899 E C 0.376 176.974 176.600 -0.003 0.000 1.059 899 E CA -0.239 56.159 56.400 -0.003 0.000 1.112 899 E CB 0.404 30.103 29.700 -0.002 0.000 1.168 899 E HN 0.364 nan 8.360 nan 0.000 0.445 900 S N -0.037 115.660 115.700 -0.005 0.000 2.837 900 S HA 0.209 4.680 4.470 0.001 0.000 0.314 900 S C 0.340 174.937 174.600 -0.005 0.000 1.098 900 S CA -0.788 57.409 58.200 -0.005 0.000 0.903 900 S CB 1.024 64.220 63.200 -0.007 0.000 1.310 900 S HN 0.082 nan 8.310 nan 0.000 0.581 901 D N 0.188 120.585 120.400 -0.005 0.000 2.395 901 D HA 0.349 4.990 4.640 0.001 0.000 0.226 901 D C 0.742 177.039 176.300 -0.005 0.000 1.146 901 D CA -0.257 53.741 54.000 -0.004 0.000 0.830 901 D CB -0.643 40.155 40.800 -0.003 0.000 0.958 901 D HN 0.721 nan 8.370 nan 0.000 0.501 902 A N 0.877 123.693 122.820 -0.007 0.000 2.492 902 A HA 0.372 4.693 4.320 0.001 0.000 0.236 902 A C 1.000 178.581 177.584 -0.005 0.000 1.078 902 A CA 0.015 52.047 52.037 -0.008 0.000 0.773 902 A CB 0.073 19.066 19.000 -0.012 0.000 1.023 902 A HN 0.431 nan 8.150 nan 0.000 0.504 903 S N 0.985 116.683 115.700 -0.004 0.000 2.596 903 S HA 0.349 4.820 4.470 0.001 0.000 0.260 903 S C 1.402 176.002 174.600 0.001 0.000 1.336 903 S CA -0.115 58.084 58.200 -0.001 0.000 0.993 903 S CB 0.655 63.856 63.200 0.001 0.000 0.923 903 S HN 1.430 nan 8.310 nan 0.000 0.567 904 G N 0.275 109.077 108.800 0.003 0.000 2.422 904 G HA2 -0.150 3.810 3.960 0.001 0.000 0.218 904 G HA3 -0.150 3.810 3.960 0.001 0.000 0.218 904 G C 0.910 175.817 174.900 0.011 0.000 1.146 904 G CA 0.723 45.826 45.100 0.006 0.000 0.769 904 G HN 0.739 nan 8.290 nan 0.000 0.547 905 D N 0.178 120.586 120.400 0.013 0.000 2.117 905 D HA -0.081 4.560 4.640 0.001 0.000 0.197 905 D C 2.739 179.052 176.300 0.021 0.000 0.987 905 D CA 0.576 54.589 54.000 0.022 0.000 0.829 905 D CB -0.365 40.446 40.800 0.018 0.000 0.961 905 D HN 0.182 nan 8.370 nan 0.000 0.460 906 V N 0.989 120.907 119.914 0.008 0.000 2.427 906 V HA -0.194 3.927 4.120 0.001 0.000 0.248 906 V C 2.257 178.347 176.094 -0.007 0.000 1.051 906 V CA 1.447 63.745 62.300 -0.003 0.000 1.048 906 V CB -0.239 31.576 31.823 -0.012 0.000 0.666 906 V HN 0.201 nan 8.190 nan 0.000 0.456 907 K N -0.309 120.088 120.400 -0.004 0.000 2.103 907 K HA -0.176 4.145 4.320 0.001 0.000 0.204 907 K C 2.160 178.753 176.600 -0.011 0.000 1.052 907 K CA 1.338 57.620 56.287 -0.009 0.000 0.945 907 K CB -0.107 32.388 32.500 -0.008 0.000 0.722 907 K HN 0.481 nan 8.250 nan 0.000 0.443 908 E N 0.800 121.002 120.200 0.004 0.000 2.077 908 E HA -0.181 4.169 4.350 0.001 0.000 0.193 908 E C 1.953 178.558 176.600 0.008 0.000 0.989 908 E CA 1.091 57.496 56.400 0.008 0.000 0.800 908 E CB 0.001 29.727 29.700 0.043 0.000 0.746 908 E HN 0.323 nan 8.360 nan 0.000 0.452 909 A N 0.586 123.445 122.820 0.066 0.000 1.898 909 A HA -0.143 4.177 4.320 0.001 0.000 0.216 909 A C 2.128 179.737 177.584 0.042 0.000 1.181 909 A CA 0.976 53.099 52.037 0.144 0.000 0.620 909 A CB -0.553 18.512 19.000 0.107 0.000 0.819 909 A HN 0.236 nan 8.150 nan 0.000 0.442 910 L N -0.815 120.406 121.223 -0.003 0.000 2.093 910 L HA -0.233 4.107 4.340 0.001 0.000 0.208 910 L C 2.875 179.756 176.870 0.018 0.000 1.085 910 L CA 1.414 56.260 54.840 0.011 0.000 0.755 910 L CB -0.545 41.504 42.059 -0.017 0.000 0.904 910 L HN 0.508 nan 8.230 nan 0.000 0.435 911 Q N -0.355 119.408 119.800 -0.063 0.000 2.083 911 Q HA -0.096 4.245 4.340 0.001 0.000 0.198 911 Q C 2.361 178.216 176.000 -0.242 0.000 0.969 911 Q CA 1.335 57.074 55.803 -0.108 0.000 0.838 911 Q CB -0.423 28.253 28.738 -0.102 0.000 0.900 911 Q HN 0.566 nan 8.270 nan 0.000 0.436 912 G N 0.547 109.061 108.800 -0.476 0.000 2.446 912 G HA2 -0.287 3.674 3.960 0.001 0.000 0.217 912 G HA3 -0.287 3.674 3.960 0.001 0.000 0.217 912 G C 1.014 175.478 174.900 -0.727 0.000 1.168 912 G CA 0.699 45.124 45.100 -1.124 0.000 0.771 912 G HN 0.471 nan 8.290 nan 0.000 0.551 913 W N 1.104 122.136 121.300 -0.446 0.000 2.358 913 W HA 0.027 4.688 4.660 0.001 0.000 0.303 913 W C 2.296 178.736 176.519 -0.132 0.000 1.208 913 W CA 1.142 58.400 57.345 -0.145 0.000 1.274 913 W CB -0.283 29.101 29.460 -0.128 0.000 1.138 913 W HN 0.121 nan 8.180 nan 0.000 0.515 914 L N 0.355 121.537 121.223 -0.070 0.000 2.191 914 L HA -0.166 4.174 4.340 0.001 0.000 0.212 914 L C 2.560 179.246 176.870 -0.307 0.000 1.103 914 L CA 1.307 56.024 54.840 -0.205 0.000 0.769 914 L CB -0.941 41.113 42.059 -0.007 0.000 0.908 914 L HN 0.136 nan 8.230 nan 0.000 0.438 915 A N -0.724 121.931 122.820 -0.275 0.000 1.984 915 A HA 0.095 4.416 4.320 0.001 0.000 0.214 915 A C 1.998 179.442 177.584 -0.232 0.000 1.173 915 A CA 1.126 53.029 52.037 -0.224 0.000 0.673 915 A CB -0.393 18.492 19.000 -0.192 0.000 0.830 915 A HN 0.381 nan 8.150 nan 0.000 0.453 916 G N 0.139 108.772 108.800 -0.279 0.000 3.575 916 G HA2 0.184 4.145 3.960 0.001 0.000 0.273 916 G HA3 0.184 4.145 3.960 0.001 0.000 0.273 916 G C 1.115 175.811 174.900 -0.339 0.000 1.053 916 G CA 0.504 45.483 45.100 -0.202 0.000 0.803 916 G HN 0.647 nan 8.290 nan 0.000 0.528 917 K N 0.197 120.206 120.400 -0.652 0.000 2.160 917 K HA -0.103 4.218 4.320 0.001 0.000 0.206 917 K C 1.126 177.497 176.600 -0.381 0.000 1.047 917 K CA 1.275 57.015 56.287 -0.911 0.000 0.930 917 K CB -0.094 31.554 32.500 -1.420 0.000 0.720 917 K HN 0.064 nan 8.250 nan 0.000 0.450 918 N N 1.197 119.750 118.700 -0.245 0.000 2.268 918 N HA -0.008 4.733 4.740 0.001 0.000 0.204 918 N C -0.880 174.595 175.510 -0.059 0.000 1.124 918 N CA 0.232 53.215 53.050 -0.113 0.000 0.838 918 N CB 0.309 38.741 38.487 -0.091 0.000 0.994 918 N HN 0.306 nan 8.380 nan 0.000 0.489 919 D N 0.751 121.114 120.400 -0.062 0.000 2.373 919 D HA 0.208 4.849 4.640 0.001 0.000 0.227 919 D C -1.781 174.540 176.300 0.035 0.000 1.091 919 D CA -2.077 51.919 54.000 -0.006 0.000 0.840 919 D CB 2.099 42.895 40.800 -0.006 0.000 1.060 919 D HN -0.089 nan 8.370 nan 0.000 0.502 920 P HA -0.186 nan 4.420 nan 0.000 0.216 920 P C 1.661 179.019 177.300 0.097 0.000 1.154 920 P CA 0.893 64.052 63.100 0.099 0.000 0.865 920 P CB 0.391 32.166 31.700 0.125 0.000 0.789 921 I N -0.998 119.620 120.570 0.080 0.000 2.141 921 I HA -0.166 4.004 4.170 0.001 0.000 0.236 921 I C 2.055 178.214 176.117 0.070 0.000 1.071 921 I CA 1.682 63.023 61.300 0.068 0.000 1.345 921 I CB -1.437 36.597 38.000 0.056 0.000 1.066 921 I HN -0.037 nan 8.210 nan 0.000 0.406 922 K N 1.377 121.828 120.400 0.085 0.000 2.057 922 K HA -0.087 4.233 4.320 0.001 0.000 0.206 922 K C 2.264 178.989 176.600 0.208 0.000 1.050 922 K CA 1.619 57.996 56.287 0.150 0.000 0.935 922 K CB -0.764 31.848 32.500 0.188 0.000 0.715 922 K HN 0.480 nan 8.250 nan 0.000 0.439 923 S N 1.234 117.011 115.700 0.128 0.000 2.370 923 S HA -0.194 4.277 4.470 0.001 0.000 0.226 923 S C 2.123 176.914 174.600 0.319 0.000 1.033 923 S CA 1.491 59.800 58.200 0.181 0.000 1.011 923 S CB -0.210 63.057 63.200 0.112 0.000 0.852 923 S HN 0.303 nan 8.310 nan 0.000 0.457 924 K N 1.321 121.844 120.400 0.206 0.000 2.057 924 K HA -0.115 4.206 4.320 0.001 0.000 0.206 924 K C 2.437 179.106 176.600 0.114 0.000 1.050 924 K CA 1.436 57.828 56.287 0.174 0.000 0.935 924 K CB -0.252 32.319 32.500 0.119 0.000 0.715 924 K HN 0.648 nan 8.250 nan 0.000 0.439 925 E N -0.493 119.729 120.200 0.037 0.000 2.051 925 E HA -0.214 4.137 4.350 0.001 0.000 0.192 925 E C 1.623 178.109 176.600 -0.191 0.000 0.991 925 E CA 1.433 57.757 56.400 -0.127 0.000 0.799 925 E CB -0.150 29.383 29.700 -0.279 0.000 0.748 925 E HN 0.430 nan 8.360 nan 0.000 0.449 926 Y N -0.388 119.973 120.300 0.102 0.000 2.457 926 Y HA 0.090 4.641 4.550 0.001 0.000 0.292 926 Y C 2.289 178.209 175.900 0.034 0.000 1.125 926 Y CA 0.698 58.851 58.100 0.089 0.000 1.254 926 Y CB -0.076 38.466 38.460 0.137 0.000 1.012 926 Y HN 0.192 nan 8.280 nan 0.000 0.555 927 G N -0.187 108.742 108.800 0.215 0.000 2.394 927 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 927 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 927 G C 1.153 176.125 174.900 0.120 0.000 1.165 927 G CA 1.066 46.181 45.100 0.025 0.000 0.784 927 G HN 0.236 nan 8.290 nan 0.000 0.535 928 D N 0.668 121.141 120.400 0.122 0.000 2.178 928 D HA -0.038 4.603 4.640 0.001 0.000 0.201 928 D C 2.423 178.752 176.300 0.049 0.000 0.980 928 D CA 0.771 54.825 54.000 0.090 0.000 0.842 928 D CB -0.077 40.752 40.800 0.049 0.000 0.948 928 D HN 0.293 nan 8.370 nan 0.000 0.472 929 K N 0.033 120.441 120.400 0.015 0.000 2.097 929 K HA 0.001 4.322 4.320 0.001 0.000 0.205 929 K C 2.214 178.819 176.600 0.007 0.000 1.050 929 K CA 0.457 56.749 56.287 0.009 0.000 0.938 929 K CB -0.049 32.460 32.500 0.015 0.000 0.718 929 K HN 0.136 nan 8.250 nan 0.000 0.442 930 L N 0.999 122.196 121.223 -0.042 0.000 2.141 930 L HA -0.171 4.170 4.340 0.001 0.000 0.209 930 L C 2.361 179.265 176.870 0.057 0.000 1.094 930 L CA 0.994 55.783 54.840 -0.085 0.000 0.763 930 L CB -0.257 41.557 42.059 -0.408 0.000 0.908 930 L HN 0.103 nan 8.230 nan 0.000 0.437 931 K N 0.393 120.887 120.400 0.156 0.000 2.057 931 K HA -0.234 4.087 4.320 0.001 0.000 0.207 931 K C 2.095 178.736 176.600 0.069 0.000 1.049 931 K CA 1.381 57.762 56.287 0.158 0.000 0.931 931 K CB -0.142 32.442 32.500 0.140 0.000 0.714 931 K HN 0.274 nan 8.250 nan 0.000 0.440 932 K N 1.033 121.462 120.400 0.048 0.000 2.062 932 K HA -0.048 4.273 4.320 0.001 0.000 0.205 932 K C 2.226 178.838 176.600 0.020 0.000 1.051 932 K CA 0.673 56.976 56.287 0.027 0.000 0.941 932 K CB 0.006 32.517 32.500 0.019 0.000 0.719 932 K HN 0.005 nan 8.250 nan 0.000 0.440 933 L N 0.928 122.162 121.223 0.017 0.000 2.093 933 L HA -0.093 4.247 4.340 0.001 0.000 0.208 933 L C 1.885 178.760 176.870 0.007 0.000 1.085 933 L CA 0.800 55.645 54.840 0.009 0.000 0.755 933 L CB -0.084 41.977 42.059 0.003 0.000 0.904 933 L HN 0.205 nan 8.230 nan 0.000 0.435 934 L N -0.262 120.970 121.223 0.014 0.000 2.653 934 L HA 0.269 4.610 4.340 0.001 0.000 0.231 934 L C 1.017 177.894 176.870 0.013 0.000 1.153 934 L CA -0.629 54.218 54.840 0.012 0.000 0.933 934 L CB -0.303 41.767 42.059 0.020 0.000 1.175 934 L HN 0.058 nan 8.230 nan 0.000 0.473 935 A N 0.444 123.273 122.820 0.014 0.000 2.548 935 A HA 0.377 4.698 4.320 0.001 0.000 0.247 935 A C 1.425 179.010 177.584 0.002 0.000 1.067 935 A CA 1.005 53.047 52.037 0.008 0.000 0.757 935 A CB -0.157 18.848 19.000 0.008 0.000 0.996 935 A HN 0.624 nan 8.150 nan 0.000 0.504 936 G N 0.977 109.776 108.800 -0.002 0.000 2.358 936 G HA2 -0.230 3.731 3.960 0.001 0.000 0.224 936 G HA3 -0.230 3.731 3.960 0.001 0.000 0.224 936 G C 0.374 175.271 174.900 -0.006 0.000 1.073 936 G CA 0.189 45.286 45.100 -0.004 0.000 0.635 936 G HN 0.908 nan 8.290 nan 0.000 0.509 937 Q N 0.793 120.590 119.800 -0.005 0.000 2.308 937 Q HA 0.207 4.548 4.340 0.001 0.000 0.313 937 Q C 0.989 176.982 176.000 -0.011 0.000 1.075 937 Q CA 0.795 56.593 55.803 -0.008 0.000 0.995 937 Q CB 0.912 29.646 28.738 -0.007 0.000 1.107 937 Q HN 0.559 nan 8.270 nan 0.000 0.380 938 K N 1.438 121.832 120.400 -0.011 0.000 2.538 938 K HA 0.163 4.483 4.320 0.001 0.000 0.215 938 K C -0.441 176.152 176.600 -0.012 0.000 1.345 938 K CA 0.154 56.433 56.287 -0.012 0.000 0.985 938 K CB 0.857 33.350 32.500 -0.010 0.000 1.116 938 K HN 0.477 nan 8.250 nan 0.000 0.582 939 D N 0.101 120.495 120.400 -0.010 0.000 2.268 939 D HA 0.495 5.135 4.640 0.001 0.000 0.249 939 D C 0.624 176.918 176.300 -0.010 0.000 1.008 939 D CA 0.602 54.596 54.000 -0.009 0.000 0.939 939 D CB 1.246 42.042 40.800 -0.006 0.000 1.170 939 D HN 0.183 nan 8.370 nan 0.000 0.468 940 G N 0.077 108.872 108.800 -0.008 0.000 2.581 940 G HA2 -0.326 3.635 3.960 0.001 0.000 0.289 940 G HA3 -0.326 3.635 3.960 0.001 0.000 0.289 940 G C 0.838 175.730 174.900 -0.013 0.000 1.303 940 G CA 0.039 45.134 45.100 -0.008 0.000 0.931 940 G HN 0.475 nan 8.290 nan 0.000 0.555 941 L N -0.069 121.147 121.223 -0.013 0.000 2.013 941 L HA -0.055 4.286 4.340 0.001 0.000 0.212 941 L C 2.999 179.850 176.870 -0.032 0.000 1.073 941 L CA 2.548 57.376 54.840 -0.021 0.000 0.753 941 L CB -0.723 41.326 42.059 -0.016 0.000 0.890 941 L HN 0.550 nan 8.230 nan 0.000 0.432 942 L N -1.761 119.447 121.223 -0.026 0.000 2.201 942 L HA -0.099 4.242 4.340 0.001 0.000 0.212 942 L C 2.434 179.289 176.870 -0.025 0.000 1.105 942 L CA 0.993 55.816 54.840 -0.028 0.000 0.775 942 L CB -1.288 40.759 42.059 -0.021 0.000 0.913 942 L HN 0.424 nan 8.230 nan 0.000 0.440 943 G N -0.683 108.103 108.800 -0.023 0.000 2.402 943 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 943 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 943 G C 1.517 176.396 174.900 -0.035 0.000 1.162 943 G CA 0.174 45.260 45.100 -0.023 0.000 0.777 943 G HN 0.341 nan 8.290 nan 0.000 0.539 944 Q N -0.233 119.541 119.800 -0.043 0.000 2.050 944 Q HA -0.011 4.330 4.340 0.001 0.000 0.202 944 Q C 2.632 178.579 176.000 -0.089 0.000 0.980 944 Q CA 1.030 56.793 55.803 -0.066 0.000 0.840 944 Q CB -0.202 28.491 28.738 -0.074 0.000 0.898 944 Q HN 0.516 nan 8.270 nan 0.000 0.424 945 I N 0.569 121.093 120.570 -0.076 0.000 2.226 945 I HA -0.277 3.894 4.170 0.001 0.000 0.245 945 I C 2.411 178.532 176.117 0.007 0.000 1.100 945 I CA 0.913 62.176 61.300 -0.062 0.000 1.374 945 I CB -0.413 37.542 38.000 -0.076 0.000 1.057 945 I HN 0.160 nan 8.210 nan 0.000 0.413 946 A N 0.744 123.564 122.820 -0.001 0.000 1.933 946 A HA -0.140 4.181 4.320 0.001 0.000 0.218 946 A C 2.419 179.963 177.584 -0.067 0.000 1.175 946 A CA 1.804 53.847 52.037 0.010 0.000 0.628 946 A CB -0.693 18.304 19.000 -0.004 0.000 0.814 946 A HN 0.442 nan 8.150 nan 0.000 0.444 947 A N -1.338 121.434 122.820 -0.081 0.000 2.206 947 A HA 0.267 4.587 4.320 0.001 0.000 0.211 947 A C 1.648 179.139 177.584 -0.156 0.000 1.158 947 A CA 0.904 52.879 52.037 -0.104 0.000 0.761 947 A CB -0.441 18.515 19.000 -0.073 0.000 0.801 947 A HN 0.502 nan 8.150 nan 0.000 0.473 948 M N -0.049 119.429 119.600 -0.202 0.000 2.560 948 M HA 0.041 4.522 4.480 0.001 0.000 0.297 948 M C 1.638 177.606 176.300 -0.553 0.000 1.201 948 M CA 0.427 55.573 55.300 -0.257 0.000 0.973 948 M CB 0.340 32.829 32.600 -0.185 0.000 1.401 948 M HN 0.482 nan 8.290 nan 0.000 0.497 949 S N 0.410 115.621 115.700 -0.815 0.000 2.442 949 S HA -0.170 4.301 4.470 0.001 0.000 0.236 949 S C 1.265 175.353 174.600 -0.854 0.000 1.007 949 S CA 1.647 58.886 58.200 -1.600 0.000 0.965 949 S CB -0.485 62.152 63.200 -0.939 0.000 0.773 949 S HN 0.626 nan 8.310 nan 0.000 0.504 950 D N 1.022 121.172 120.400 -0.416 0.000 2.338 950 D HA 0.037 4.678 4.640 0.001 0.000 0.239 950 D C 1.119 177.359 176.300 -0.101 0.000 1.095 950 D CA 0.183 54.063 54.000 -0.201 0.000 0.888 950 D CB -0.429 40.299 40.800 -0.120 0.000 0.899 950 D HN 0.534 nan 8.370 nan 0.000 0.525 951 L N -1.402 119.739 121.223 -0.138 0.000 2.858 951 L HA 0.219 4.560 4.340 0.001 0.000 0.251 951 L C 1.559 178.572 176.870 0.237 0.000 1.149 951 L CA -0.403 54.469 54.840 0.053 0.000 0.955 951 L CB -0.073 42.007 42.059 0.036 0.000 1.289 951 L HN -0.024 nan 8.230 nan 0.000 0.542 952 Y N 0.901 121.234 120.300 0.055 0.000 2.049 952 Y HA -0.147 4.403 4.550 0.001 0.000 0.277 952 Y C 1.329 177.498 175.900 0.448 0.000 1.143 952 Y CA 0.412 58.601 58.100 0.148 0.000 1.115 952 Y CB -0.270 38.182 38.460 -0.013 0.000 0.975 952 Y HN 0.020 nan 8.280 nan 0.000 0.487 953 T N 2.394 117.203 114.554 0.426 0.000 2.888 953 T HA 0.030 4.381 4.350 0.001 0.000 0.301 953 T C -0.052 174.801 174.700 0.255 0.000 1.001 953 T CA -0.524 61.761 62.100 0.309 0.000 1.147 953 T CB 0.756 69.746 68.868 0.203 0.000 0.931 953 T HN 0.003 nan 8.240 nan 0.000 0.541 954 K N 3.928 124.451 120.400 0.205 0.000 2.472 954 K HA 0.036 4.357 4.320 0.001 0.000 0.280 954 K C 0.058 176.754 176.600 0.159 0.000 1.028 954 K CA 0.411 56.789 56.287 0.151 0.000 1.045 954 K CB 0.329 32.881 32.500 0.088 0.000 0.902 954 K HN 0.235 nan 8.250 nan 0.000 0.478 955 K N 2.108 122.615 120.400 0.178 0.000 2.106 955 K HA 0.274 4.595 4.320 0.001 0.000 0.246 955 K C -0.551 176.162 176.600 0.188 0.000 0.987 955 K CA -0.584 55.836 56.287 0.221 0.000 0.904 955 K CB 1.741 34.477 32.500 0.393 0.000 1.071 955 K HN 0.569 nan 8.250 nan 0.000 0.453 956 S N 0.900 116.736 115.700 0.227 0.000 2.566 956 S HA 0.321 4.792 4.470 0.001 0.000 0.324 956 S C -0.899 173.860 174.600 0.265 0.000 1.081 956 S CA -0.704 57.600 58.200 0.172 0.000 1.105 956 S CB 0.384 63.717 63.200 0.222 0.000 0.981 956 S HN 0.228 nan 8.310 nan 0.000 0.464 957 V N 6.271 126.219 119.914 0.056 0.000 2.385 957 V HA 0.425 4.545 4.120 0.001 0.000 0.269 957 V C -0.662 175.340 176.094 -0.153 0.000 1.043 957 V CA -0.415 61.906 62.300 0.033 0.000 0.906 957 V CB 0.125 31.881 31.823 -0.112 0.000 0.995 957 V HN 0.841 nan 8.190 nan 0.000 0.467 958 W N 4.866 126.145 121.300 -0.035 0.000 2.627 958 W HA 0.739 5.400 4.660 0.001 0.000 0.339 958 W C -0.354 176.113 176.519 -0.087 0.000 1.058 958 W CA -0.614 56.715 57.345 -0.026 0.000 1.223 958 W CB 1.496 30.905 29.460 -0.084 0.000 1.389 958 W HN 0.327 nan 8.180 nan 0.000 0.541 959 I N 3.442 124.185 120.570 0.288 0.000 2.410 959 I HA 0.324 4.495 4.170 0.001 0.000 0.286 959 I C -0.748 175.659 176.117 0.483 0.000 1.009 959 I CA -0.564 60.851 61.300 0.193 0.000 1.111 959 I CB 0.705 38.815 38.000 0.182 0.000 1.262 959 I HN 0.207 nan 8.210 nan 0.000 0.443 960 F N 3.968 123.957 119.950 0.065 0.000 2.421 960 F HA 0.788 5.316 4.527 0.002 0.000 0.337 960 F C 0.813 176.535 175.800 -0.129 0.000 1.105 960 F CA -0.771 57.318 58.000 0.148 0.000 1.049 960 F CB 2.235 41.361 39.000 0.210 0.000 1.139 960 F HN 0.499 nan 8.300 nan 0.000 0.479 961 G N 1.159 110.077 108.800 0.198 0.000 2.547 961 G HA2 0.472 4.433 3.960 0.001 0.000 0.291 961 G HA3 0.472 4.433 3.960 0.001 0.000 0.291 961 G C -1.277 173.865 174.900 0.402 0.000 1.471 961 G CA -0.567 44.628 45.100 0.159 0.000 0.798 961 G HN 0.891 nan 8.290 nan 0.000 0.504 962 G N -1.082 107.980 108.800 0.436 0.000 2.537 962 G HA2 0.484 4.445 3.960 0.001 0.000 0.297 962 G HA3 0.484 4.445 3.960 0.001 0.000 0.297 962 G C 0.800 175.913 174.900 0.355 0.000 1.310 962 G CA 0.526 45.817 45.100 0.318 0.000 1.027 962 G HN 0.672 nan 8.290 nan 0.000 0.505 963 D N -0.884 119.612 120.400 0.159 0.000 2.183 963 D HA -0.073 4.568 4.640 0.001 0.000 0.203 963 D C 2.143 178.456 176.300 0.022 0.000 0.969 963 D CA 1.132 55.187 54.000 0.092 0.000 0.842 963 D CB -0.636 39.997 40.800 -0.277 0.000 0.957 963 D HN 0.466 nan 8.370 nan 0.000 0.484 964 G N 0.339 109.082 108.800 -0.096 0.000 2.418 964 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 964 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 964 G C 1.375 176.387 174.900 0.186 0.000 1.158 964 G CA 0.727 45.655 45.100 -0.288 0.000 0.771 964 G HN 0.402 nan 8.290 nan 0.000 0.545 965 W N 1.754 123.183 121.300 0.215 0.000 2.380 965 W HA 0.173 4.834 4.660 0.001 0.000 0.317 965 W C 2.658 179.224 176.519 0.080 0.000 1.196 965 W CA 2.224 59.602 57.345 0.056 0.000 1.307 965 W CB -0.524 29.056 29.460 0.200 0.000 1.157 965 W HN 0.216 nan 8.180 nan 0.000 0.483 966 A N -0.794 121.790 122.820 -0.393 0.000 1.933 966 A HA -0.180 4.141 4.320 0.001 0.000 0.218 966 A C 1.808 179.193 177.584 -0.331 0.000 1.175 966 A CA 1.799 53.425 52.037 -0.686 0.000 0.628 966 A CB -1.287 17.552 19.000 -0.269 0.000 0.814 966 A HN 0.533 nan 8.150 nan 0.000 0.444 967 Y N -0.435 119.697 120.300 -0.280 0.000 2.503 967 Y HA 0.082 4.632 4.550 0.001 0.000 0.278 967 Y C 1.583 177.346 175.900 -0.230 0.000 1.111 967 Y CA 0.574 58.489 58.100 -0.308 0.000 1.270 967 Y CB 0.100 38.427 38.460 -0.222 0.000 1.063 967 Y HN 0.306 nan 8.280 nan 0.000 0.548 968 D N -0.977 119.447 120.400 0.041 0.000 3.066 968 D HA 0.038 4.679 4.640 0.001 0.000 0.225 968 D C 2.024 178.334 176.300 0.018 0.000 1.397 968 D CA -0.057 53.996 54.000 0.090 0.000 1.344 968 D CB -0.763 40.198 40.800 0.268 0.000 0.934 968 D HN 0.041 nan 8.370 nan 0.000 0.202 969 I N 1.029 121.589 120.570 -0.018 0.000 2.163 969 I HA -0.155 4.016 4.170 0.001 0.000 0.243 969 I C 1.641 177.635 176.117 -0.205 0.000 1.085 969 I CA 1.873 63.066 61.300 -0.178 0.000 1.347 969 I CB -0.011 37.781 38.000 -0.348 0.000 1.044 969 I HN 0.161 nan 8.210 nan 0.000 0.408 970 G N -1.571 107.038 108.800 -0.319 0.000 3.141 970 G HA2 -0.180 3.780 3.960 0.001 0.000 0.218 970 G HA3 -0.180 3.780 3.960 0.001 0.000 0.218 970 G C 1.107 175.772 174.900 -0.390 0.000 1.170 970 G CA -0.184 44.715 45.100 -0.335 0.000 0.769 970 G HN 0.409 nan 8.290 nan 0.000 0.546 971 Y N 2.099 122.151 120.300 -0.414 0.000 2.128 971 Y HA -0.121 4.430 4.550 0.002 0.000 0.284 971 Y C 2.517 178.288 175.900 -0.214 0.000 1.154 971 Y CA 1.555 59.452 58.100 -0.338 0.000 1.149 971 Y CB -0.589 37.730 38.460 -0.235 0.000 0.976 971 Y HN 0.127 nan 8.280 nan 0.000 0.505 972 G N -0.852 107.754 108.800 -0.324 0.000 2.442 972 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 972 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 972 G C 1.892 176.642 174.900 -0.251 0.000 1.141 972 G CA 0.846 45.741 45.100 -0.341 0.000 0.763 972 G HN 0.625 nan 8.290 nan 0.000 0.554 973 G N 0.519 109.218 108.800 -0.168 0.000 2.408 973 G HA2 -0.002 3.959 3.960 0.001 0.000 0.215 973 G HA3 -0.002 3.959 3.960 0.001 0.000 0.215 973 G C 1.704 176.568 174.900 -0.059 0.000 1.156 973 G CA 0.866 45.920 45.100 -0.077 0.000 0.793 973 G HN 0.398 nan 8.290 nan 0.000 0.535 974 L N 1.293 122.446 121.223 -0.117 0.000 2.017 974 L HA -0.021 4.320 4.340 0.001 0.000 0.208 974 L C 2.195 178.986 176.870 -0.133 0.000 1.073 974 L CA 2.740 57.525 54.840 -0.091 0.000 0.745 974 L CB -0.795 41.099 42.059 -0.276 0.000 0.894 974 L HN 0.301 nan 8.230 nan 0.000 0.432 975 D N -1.658 118.581 120.400 -0.269 0.000 2.092 975 D HA -0.311 4.329 4.640 0.001 0.000 0.193 975 D C 2.280 178.474 176.300 -0.178 0.000 0.994 975 D CA 1.710 55.556 54.000 -0.256 0.000 0.828 975 D CB -0.286 40.197 40.800 -0.528 0.000 0.963 975 D HN 0.580 nan 8.370 nan 0.000 0.450 976 H N -0.298 118.623 119.070 -0.249 0.000 2.353 976 H HA -0.073 4.484 4.556 0.001 0.000 0.300 976 H C 2.118 177.262 175.328 -0.307 0.000 1.090 976 H CA 1.441 57.341 56.048 -0.246 0.000 1.327 976 H CB -0.070 29.548 29.762 -0.240 0.000 1.383 976 H HN 0.122 nan 8.280 nan 0.000 0.508 977 V N 1.287 121.073 119.914 -0.214 0.000 2.427 977 V HA -0.241 3.880 4.120 0.001 0.000 0.248 977 V C 2.887 178.859 176.094 -0.204 0.000 1.051 977 V CA 1.298 63.419 62.300 -0.299 0.000 1.048 977 V CB -0.463 31.294 31.823 -0.110 0.000 0.666 977 V HN 0.327 nan 8.190 nan 0.000 0.456 978 L N 0.007 121.125 121.223 -0.176 0.000 2.093 978 L HA -0.077 4.264 4.340 0.001 0.000 0.208 978 L C 2.648 179.337 176.870 -0.303 0.000 1.085 978 L CA 1.409 56.149 54.840 -0.167 0.000 0.755 978 L CB -0.758 41.207 42.059 -0.156 0.000 0.904 978 L HN 0.345 nan 8.230 nan 0.000 0.435 979 A N 0.101 122.609 122.820 -0.520 0.000 2.067 979 A HA -0.172 4.149 4.320 0.001 0.000 0.219 979 A C 2.495 179.950 177.584 -0.216 0.000 1.158 979 A CA 1.536 53.231 52.037 -0.569 0.000 0.661 979 A CB -0.529 18.128 19.000 -0.571 0.000 0.801 979 A HN 0.523 nan 8.150 nan 0.000 0.452 980 S N -1.291 114.233 115.700 -0.294 0.000 2.419 980 S HA 0.203 4.674 4.470 0.001 0.000 0.233 980 S C 1.700 176.246 174.600 -0.090 0.000 1.016 980 S CA 1.461 59.528 58.200 -0.222 0.000 0.974 980 S CB -0.705 62.363 63.200 -0.220 0.000 0.786 980 S HN 1.946 nan 8.310 nan 0.000 0.492 981 G N 0.695 109.498 108.800 0.004 0.000 2.179 981 G HA2 -0.218 3.743 3.960 0.001 0.000 0.260 981 G HA3 -0.218 3.743 3.960 0.001 0.000 0.260 981 G C -0.105 174.813 174.900 0.030 0.000 0.977 981 G CA 0.312 45.426 45.100 0.023 0.000 0.641 981 G HN 0.589 nan 8.290 nan 0.000 0.533 982 E N 0.570 120.808 120.200 0.065 0.000 2.392 982 E HA 0.267 4.618 4.350 0.001 0.000 0.256 982 E C -0.244 176.376 176.600 0.034 0.000 1.145 982 E CA -0.475 55.952 56.400 0.044 0.000 0.929 982 E CB 0.571 30.347 29.700 0.127 0.000 0.998 982 E HN 0.183 nan 8.360 nan 0.000 0.442 983 D N 1.597 121.983 120.400 -0.023 0.000 2.470 983 D HA 0.162 4.802 4.640 0.001 0.000 0.226 983 D C -0.864 175.394 176.300 -0.070 0.000 1.196 983 D CA -0.228 53.743 54.000 -0.048 0.000 0.979 983 D CB -0.424 40.333 40.800 -0.072 0.000 1.059 983 D HN 0.228 nan 8.370 nan 0.000 0.515 984 V N 0.680 120.562 119.914 -0.054 0.000 3.078 984 V HA 0.671 4.792 4.120 0.001 0.000 0.311 984 V C -0.726 175.251 176.094 -0.196 0.000 1.138 984 V CA -1.100 61.130 62.300 -0.117 0.000 1.007 984 V CB 2.412 34.232 31.823 -0.004 0.000 1.045 984 V HN 0.270 nan 8.190 nan 0.000 0.432 985 N N 1.185 119.645 118.700 -0.399 0.000 2.399 985 N HA 0.588 5.329 4.740 0.001 0.000 0.280 985 N C -1.260 174.152 175.510 -0.164 0.000 1.008 985 N CA -0.280 52.430 53.050 -0.568 0.000 0.894 985 N CB 2.319 39.762 38.487 -1.741 0.000 1.273 985 N HN 0.628 nan 8.380 nan 0.000 0.486 986 V N 2.854 122.839 119.914 0.119 0.000 2.370 986 V HA 0.397 4.518 4.120 0.001 0.000 0.283 986 V C -0.646 175.778 176.094 0.551 0.000 1.023 986 V CA -0.660 61.866 62.300 0.377 0.000 0.857 986 V CB 0.810 32.841 31.823 0.347 0.000 0.985 986 V HN 0.504 nan 8.190 nan 0.000 0.443 987 F N 5.882 126.171 119.950 0.564 0.000 2.445 987 F HA 0.650 5.178 4.527 0.001 0.000 0.348 987 F C -0.351 175.666 175.800 0.361 0.000 1.125 987 F CA -0.738 57.551 58.000 0.482 0.000 0.983 987 F CB 1.475 40.789 39.000 0.523 0.000 1.198 987 F HN 0.259 nan 8.300 nan 0.000 0.436 988 V N 7.630 127.396 119.914 -0.246 0.000 2.383 988 V HA 0.300 4.420 4.120 0.001 0.000 0.275 988 V C 0.110 175.937 176.094 -0.444 0.000 1.036 988 V CA -0.485 61.750 62.300 -0.108 0.000 0.889 988 V CB 1.361 33.248 31.823 0.106 0.000 0.985 988 V HN 0.710 nan 8.190 nan 0.000 0.459 989 M N 4.371 123.827 119.600 -0.241 0.000 2.111 989 M HA 0.304 4.785 4.480 0.001 0.000 0.351 989 M C -0.298 175.959 176.300 -0.071 0.000 1.214 989 M CA -0.228 54.940 55.300 -0.221 0.000 1.120 989 M CB 0.534 33.125 32.600 -0.015 0.000 1.443 989 M HN 0.503 nan 8.290 nan 0.000 0.429 990 D N 2.356 122.696 120.400 -0.099 0.000 2.365 990 D HA 0.095 4.735 4.640 0.001 0.000 0.237 990 D C 0.888 177.059 176.300 -0.214 0.000 1.190 990 D CA 0.090 54.053 54.000 -0.062 0.000 0.867 990 D CB 1.035 41.915 40.800 0.133 0.000 1.050 990 D HN 0.652 nan 8.370 nan 0.000 0.491 991 T N 0.023 114.479 114.554 -0.163 0.000 3.086 991 T HA 0.084 4.435 4.350 0.001 0.000 0.250 991 T C 0.578 175.177 174.700 -0.168 0.000 1.074 991 T CA -0.264 61.721 62.100 -0.192 0.000 0.988 991 T CB -0.156 68.656 68.868 -0.093 0.000 0.988 991 T HN 0.583 nan 8.240 nan 0.000 0.530 992 E N -0.120 119.984 120.200 -0.160 0.000 2.791 992 E HA -0.159 4.192 4.350 0.001 0.000 0.271 992 E C -0.122 176.410 176.600 -0.112 0.000 1.044 992 E CA 0.596 56.925 56.400 -0.119 0.000 0.814 992 E CB -2.478 27.229 29.700 0.011 0.000 1.400 992 E HN 0.817 nan 8.360 nan 0.000 0.423 993 V N -4.795 115.039 119.914 -0.133 0.000 3.279 993 V HA 0.352 4.472 4.120 0.001 0.000 0.281 993 V C -1.073 174.975 176.094 -0.077 0.000 1.601 993 V CA -1.297 60.956 62.300 -0.078 0.000 1.044 993 V CB 0.794 32.601 31.823 -0.027 0.000 1.205 993 V HN 0.059 nan 8.190 nan 0.000 0.464 994 Y N 1.523 121.824 120.300 0.001 0.000 2.585 994 Y HA 0.493 5.044 4.550 0.001 0.000 0.354 994 Y C 1.777 177.662 175.900 -0.025 0.000 1.024 994 Y CA 0.795 58.906 58.100 0.017 0.000 1.321 994 Y CB 1.338 39.798 38.460 -0.001 0.000 1.151 994 Y HN 0.769 nan 8.280 nan 0.000 0.525 995 S N 1.971 117.727 115.700 0.094 0.000 2.335 995 S HA -0.197 4.273 4.470 0.001 0.000 0.217 995 S C 1.939 176.560 174.600 0.034 0.000 1.032 995 S CA 1.326 59.554 58.200 0.048 0.000 0.985 995 S CB -0.241 62.987 63.200 0.047 0.000 0.896 995 S HN 0.820 nan 8.310 nan 0.000 0.445 996 N N 1.248 119.970 118.700 0.036 0.000 2.060 996 N HA -0.156 4.585 4.740 0.001 0.000 0.195 996 N C 1.565 177.056 175.510 -0.032 0.000 1.028 996 N CA 2.242 55.294 53.050 0.004 0.000 0.861 996 N CB -0.372 38.103 38.487 -0.021 0.000 1.029 996 N HN 0.538 nan 8.380 nan 0.000 0.428 997 T N -4.353 110.175 114.554 -0.043 0.000 3.118 997 T HA 0.269 4.619 4.350 0.001 0.000 0.260 997 T C 1.225 175.873 174.700 -0.087 0.000 1.139 997 T CA 0.545 62.595 62.100 -0.082 0.000 1.085 997 T CB 0.108 68.898 68.868 -0.129 0.000 0.934 997 T HN 0.353 nan 8.240 nan 0.000 0.518 998 G N 0.221 108.981 108.800 -0.066 0.000 2.157 998 G HA2 0.327 4.288 3.960 0.001 0.000 0.114 998 G HA3 0.327 4.288 3.960 0.001 0.000 0.114 998 G C 0.677 175.516 174.900 -0.101 0.000 1.041 998 G CA -0.127 44.917 45.100 -0.094 0.000 0.714 998 G HN 1.440 nan 8.290 nan 0.000 0.492 999 G N -0.976 107.793 108.800 -0.052 0.000 2.256 999 G HA2 -0.075 3.886 3.960 0.001 0.000 0.272 999 G HA3 -0.075 3.886 3.960 0.001 0.000 0.272 999 G C 0.196 175.063 174.900 -0.056 0.000 1.076 999 G CA 0.910 45.980 45.100 -0.049 0.000 0.882 999 G HN 1.053 nan 8.290 nan 0.000 0.497 1000 Q N 0.168 119.973 119.800 0.008 0.000 2.306 1000 Q HA 0.617 4.958 4.340 0.001 0.000 0.241 1000 Q C 0.887 177.029 176.000 0.236 0.000 0.948 1000 Q CA 0.302 56.127 55.803 0.037 0.000 0.886 1000 Q CB 1.233 30.001 28.738 0.050 0.000 1.227 1000 Q HN 0.412 nan 8.270 nan 0.000 0.457 1001 S N 0.829 116.657 115.700 0.213 0.000 2.573 1001 S HA 0.419 4.889 4.470 0.001 0.000 0.277 1001 S C -0.263 174.528 174.600 0.319 0.000 1.346 1001 S CA 0.015 58.334 58.200 0.197 0.000 1.034 1001 S CB 0.144 63.441 63.200 0.163 0.000 0.879 1001 S HN 0.649 nan 8.310 nan 0.000 0.528 1002 S N 2.786 118.552 115.700 0.110 0.000 2.697 1002 S HA 0.507 4.977 4.470 0.001 0.000 0.289 1002 S C 0.176 174.767 174.600 -0.016 0.000 1.149 1002 S CA -1.003 57.214 58.200 0.028 0.000 0.850 1002 S CB 1.131 64.086 63.200 -0.408 0.000 1.151 1002 S HN 0.711 nan 8.310 nan 0.000 0.491 1003 K N 0.079 120.471 120.400 -0.013 0.000 2.515 1003 K HA 0.085 4.405 4.320 0.001 0.000 0.196 1003 K C 1.555 178.090 176.600 -0.108 0.000 1.038 1003 K CA 0.837 57.123 56.287 -0.001 0.000 0.967 1003 K CB -0.379 32.154 32.500 0.056 0.000 0.780 1003 K HN 0.657 nan 8.250 nan 0.000 0.483 1004 A N 0.848 123.434 122.820 -0.390 0.000 2.178 1004 A HA 0.031 4.351 4.320 0.001 0.000 0.211 1004 A C 0.767 178.211 177.584 -0.232 0.000 1.157 1004 A CA 0.231 51.867 52.037 -0.669 0.000 0.780 1004 A CB 0.096 18.300 19.000 -1.327 0.000 0.828 1004 A HN 0.061 nan 8.150 nan 0.000 0.476 1005 T N 3.824 118.306 114.554 -0.121 0.000 2.834 1005 T HA 0.326 4.677 4.350 0.001 0.000 0.298 1005 T C -2.375 172.367 174.700 0.071 0.000 0.966 1005 T CA -0.605 61.492 62.100 -0.006 0.000 1.141 1005 T CB 0.954 69.824 68.868 0.003 0.000 0.905 1005 T HN 0.286 nan 8.240 nan 0.000 0.535 1006 P HA 0.146 nan 4.420 nan 0.000 0.276 1006 P C -0.268 177.181 177.300 0.248 0.000 1.244 1006 P CA -0.526 62.723 63.100 0.248 0.000 0.801 1006 P CB 0.389 32.367 31.700 0.464 0.000 1.006 1007 T N 1.310 115.997 114.554 0.222 0.000 2.891 1007 T HA 0.215 4.566 4.350 0.001 0.000 0.296 1007 T C 1.486 176.350 174.700 0.273 0.000 1.025 1007 T CA 1.996 64.213 62.100 0.193 0.000 1.149 1007 T CB -0.817 68.147 68.868 0.160 0.000 1.007 1007 T HN 0.831 nan 8.240 nan 0.000 0.528 1008 G N 2.146 111.067 108.800 0.201 0.000 2.205 1008 G HA2 -0.155 3.805 3.960 0.001 0.000 0.261 1008 G HA3 -0.155 3.805 3.960 0.001 0.000 0.261 1008 G C 0.308 175.349 174.900 0.235 0.000 0.980 1008 G CA 0.053 45.294 45.100 0.235 0.000 0.632 1008 G HN 1.233 nan 8.290 nan 0.000 0.533 1009 A N 0.157 123.062 122.820 0.143 0.000 2.401 1009 A HA 0.660 4.981 4.320 0.001 0.000 0.259 1009 A C 0.552 178.025 177.584 -0.184 0.000 1.103 1009 A CA 0.283 52.147 52.037 -0.289 0.000 0.789 1009 A CB 0.959 19.788 19.000 -0.284 0.000 1.035 1009 A HN 1.112 nan 8.150 nan 0.000 0.491 1010 V N 1.806 121.575 119.914 -0.241 0.000 2.465 1010 V HA 0.650 4.770 4.120 0.001 0.000 0.279 1010 V C 0.638 176.642 176.094 -0.150 0.000 1.045 1010 V CA 0.738 62.952 62.300 -0.143 0.000 0.938 1010 V CB 0.683 32.442 31.823 -0.106 0.000 0.986 1010 V HN 1.362 nan 8.190 nan 0.000 0.467 1011 A N 4.837 127.589 122.820 -0.114 0.000 2.599 1011 A HA 0.728 5.049 4.320 0.001 0.000 0.290 1011 A C -1.107 176.385 177.584 -0.154 0.000 1.101 1011 A CA -0.994 50.971 52.037 -0.120 0.000 0.674 1011 A CB 1.279 20.233 19.000 -0.078 0.000 1.277 1011 A HN 0.516 nan 8.150 nan 0.000 0.419 1012 K N 0.503 120.750 120.400 -0.255 0.000 2.451 1012 K HA 0.389 4.710 4.320 0.001 0.000 0.280 1012 K C -0.445 175.864 176.600 -0.485 0.000 1.020 1012 K CA 0.483 56.452 56.287 -0.531 0.000 1.008 1012 K CB -0.814 31.205 32.500 -0.801 0.000 0.917 1012 K HN 0.902 nan 8.250 nan 0.000 0.478 1013 F N -0.784 119.139 119.950 -0.046 0.000 2.795 1013 F HA -0.303 4.225 4.527 0.001 0.000 0.297 1013 F C 0.478 176.271 175.800 -0.012 0.000 0.699 1013 F CA 0.530 58.517 58.000 -0.023 0.000 1.384 1013 F CB -1.514 37.475 39.000 -0.018 0.000 1.672 1013 F HN 0.601 nan 8.300 nan 0.000 0.345 1014 A N -0.281 122.581 122.820 0.070 0.000 3.019 1014 A HA 0.748 5.069 4.320 0.001 0.000 0.202 1014 A C 0.751 178.313 177.584 -0.036 0.000 0.924 1014 A CA 0.325 52.378 52.037 0.026 0.000 1.156 1014 A CB -0.285 18.730 19.000 0.026 0.000 1.265 1014 A HN 0.707 nan 8.150 nan 0.000 0.526 1015 A N -0.449 122.347 122.820 -0.040 0.000 2.248 1015 A HA 0.394 4.715 4.320 0.001 0.000 0.210 1015 A C 1.446 178.967 177.584 -0.105 0.000 1.174 1015 A CA 1.596 53.597 52.037 -0.059 0.000 0.750 1015 A CB -0.149 18.832 19.000 -0.033 0.000 0.780 1015 A HN 1.639 nan 8.150 nan 0.000 0.478 1016 A N -1.188 121.524 122.820 -0.179 0.000 2.594 1016 A HA 0.540 4.861 4.320 0.001 0.000 0.292 1016 A C 0.849 178.281 177.584 -0.254 0.000 1.026 1016 A CA 0.516 52.307 52.037 -0.409 0.000 0.983 1016 A CB -0.678 18.009 19.000 -0.522 0.000 1.233 1016 A HN 1.984 nan 8.150 nan 0.000 0.519 1017 G N 0.365 109.092 108.800 -0.122 0.000 3.019 1017 G HA2 -0.114 3.847 3.960 0.001 0.000 0.686 1017 G HA3 -0.114 3.847 3.960 0.001 0.000 0.686 1017 G C -0.362 174.528 174.900 -0.017 0.000 1.056 1017 G CA -0.182 44.890 45.100 -0.047 0.000 0.774 1017 G HN 0.723 nan 8.290 nan 0.000 0.583 1018 K N 1.291 121.702 120.400 0.018 0.000 2.451 1018 K HA 0.240 4.561 4.320 0.001 0.000 0.280 1018 K C 1.024 177.654 176.600 0.049 0.000 1.020 1018 K CA -0.267 56.043 56.287 0.039 0.000 1.008 1018 K CB 0.250 32.785 32.500 0.057 0.000 0.917 1018 K HN 0.368 nan 8.250 nan 0.000 0.478 1019 R N 2.229 122.752 120.500 0.038 0.000 2.426 1019 R HA 0.075 4.415 4.340 0.001 0.000 0.263 1019 R C -0.219 176.107 176.300 0.044 0.000 0.961 1019 R CA 0.068 56.191 56.100 0.037 0.000 1.086 1019 R CB -0.205 30.107 30.300 0.021 0.000 1.186 1019 R HN 0.779 nan 8.270 nan 0.000 0.537 1020 T N -3.818 110.767 114.554 0.051 0.000 2.903 1020 T HA 0.689 5.040 4.350 0.001 0.000 0.299 1020 T C 0.421 175.156 174.700 0.059 0.000 1.093 1020 T CA -0.765 61.364 62.100 0.048 0.000 1.002 1020 T CB 2.711 71.603 68.868 0.040 0.000 1.127 1020 T HN 0.071 nan 8.240 nan 0.000 0.488 1021 G N 0.655 109.488 108.800 0.054 0.000 2.616 1021 G HA2 0.444 4.405 3.960 0.001 0.000 0.268 1021 G HA3 0.444 4.405 3.960 0.001 0.000 0.268 1021 G C -0.342 174.588 174.900 0.050 0.000 1.213 1021 G CA -0.943 44.194 45.100 0.060 0.000 0.926 1021 G HN 0.985 nan 8.290 nan 0.000 0.523 1022 K N 0.021 120.453 120.400 0.053 0.000 2.436 1022 K HA 0.052 4.372 4.320 0.001 0.000 0.275 1022 K C 0.547 177.177 176.600 0.050 0.000 0.999 1022 K CA -0.134 56.180 56.287 0.046 0.000 0.980 1022 K CB 0.388 32.915 32.500 0.046 0.000 0.919 1022 K HN 0.476 nan 8.250 nan 0.000 0.484 1023 K N 3.488 123.941 120.400 0.088 0.000 2.298 1023 K HA -0.038 4.283 4.320 0.001 0.000 0.280 1023 K C -0.497 176.146 176.600 0.071 0.000 1.032 1023 K CA -0.270 56.056 56.287 0.064 0.000 0.958 1023 K CB 0.734 33.275 32.500 0.069 0.000 0.978 1023 K HN 0.502 nan 8.250 nan 0.000 0.472 1024 D N 5.604 125.978 120.400 -0.043 0.000 2.619 1024 D HA 0.004 4.645 4.640 0.001 0.000 0.224 1024 D C 1.040 177.237 176.300 -0.171 0.000 1.133 1024 D CA -0.165 53.786 54.000 -0.082 0.000 1.017 1024 D CB 0.287 41.026 40.800 -0.100 0.000 1.077 1024 D HN 0.562 nan 8.370 nan 0.000 0.503 1025 L N 3.219 124.275 121.223 -0.279 0.000 2.042 1025 L HA -0.155 4.186 4.340 0.001 0.000 0.210 1025 L C 2.063 178.790 176.870 -0.239 0.000 1.076 1025 L CA 2.176 56.752 54.840 -0.440 0.000 0.749 1025 L CB -0.560 40.949 42.059 -0.917 0.000 0.893 1025 L HN 0.274 nan 8.230 nan 0.000 0.432 1026 A N -0.324 122.407 122.820 -0.149 0.000 1.865 1026 A HA -0.228 4.093 4.320 0.001 0.000 0.217 1026 A C 2.433 179.958 177.584 -0.099 0.000 1.191 1026 A CA 1.945 53.963 52.037 -0.032 0.000 0.623 1026 A CB -0.585 18.524 19.000 0.181 0.000 0.826 1026 A HN 0.519 nan 8.150 nan 0.000 0.444 1027 R N -1.228 119.182 120.500 -0.150 0.000 2.115 1027 R HA 0.001 4.342 4.340 0.001 0.000 0.230 1027 R C 2.249 178.403 176.300 -0.243 0.000 1.111 1027 R CA 1.333 57.288 56.100 -0.242 0.000 0.976 1027 R CB -0.371 29.779 30.300 -0.249 0.000 0.870 1027 R HN 0.571 nan 8.270 nan 0.000 0.445 1028 M N 0.049 119.529 119.600 -0.200 0.000 2.086 1028 M HA -0.159 4.321 4.480 0.001 0.000 0.261 1028 M C 2.248 178.413 176.300 -0.225 0.000 1.067 1028 M CA 1.549 56.733 55.300 -0.193 0.000 1.116 1028 M CB -0.175 32.347 32.600 -0.130 0.000 1.348 1028 M HN -0.037 nan 8.290 nan 0.000 0.407 1029 V N 0.176 120.001 119.914 -0.150 0.000 2.626 1029 V HA -0.227 3.894 4.120 0.001 0.000 0.252 1029 V C 2.241 178.215 176.094 -0.200 0.000 1.067 1029 V CA 1.382 63.639 62.300 -0.071 0.000 1.081 1029 V CB -0.571 31.245 31.823 -0.012 0.000 0.686 1029 V HN 0.518 nan 8.190 nan 0.000 0.468 1030 M N 0.623 120.011 119.600 -0.353 0.000 2.358 1030 M HA -0.133 4.348 4.480 0.001 0.000 0.264 1030 M C 2.269 178.212 176.300 -0.594 0.000 1.064 1030 M CA 1.913 56.817 55.300 -0.660 0.000 1.093 1030 M CB -0.714 31.452 32.600 -0.724 0.000 1.401 1030 M HN 0.640 nan 8.290 nan 0.000 0.440 1031 T N -2.337 111.951 114.554 -0.443 0.000 3.025 1031 T HA -0.157 4.194 4.350 0.001 0.000 0.270 1031 T C 1.326 175.797 174.700 -0.382 0.000 1.126 1031 T CA 0.946 62.811 62.100 -0.391 0.000 1.105 1031 T CB -0.491 68.138 68.868 -0.399 0.000 0.884 1031 T HN 0.321 nan 8.240 nan 0.000 0.522 1032 Y N 1.917 121.999 120.300 -0.364 0.000 2.263 1032 Y HA 0.279 4.830 4.550 0.001 0.000 0.292 1032 Y C 2.565 178.244 175.900 -0.367 0.000 1.130 1032 Y CA 0.450 58.262 58.100 -0.480 0.000 1.179 1032 Y CB -0.722 37.246 38.460 -0.820 0.000 0.998 1032 Y HN 0.434 nan 8.280 nan 0.000 0.532 1033 G N -0.771 107.960 108.800 -0.115 0.000 2.284 1033 G HA2 -0.395 3.566 3.960 0.001 0.000 0.247 1033 G HA3 -0.395 3.566 3.960 0.001 0.000 0.247 1033 G C 0.737 175.822 174.900 0.309 0.000 1.012 1033 G CA 0.723 45.916 45.100 0.155 0.000 0.618 1033 G HN 0.574 nan 8.290 nan 0.000 0.521 1034 Y N -0.291 120.173 120.300 0.274 0.000 2.584 1034 Y HA 0.759 5.310 4.550 0.002 0.000 0.254 1034 Y C 0.400 176.461 175.900 0.269 0.000 1.177 1034 Y CA -0.818 57.485 58.100 0.338 0.000 1.216 1034 Y CB -0.063 38.658 38.460 0.435 0.000 1.172 1034 Y HN 0.216 nan 8.280 nan 0.000 0.529 1035 V N 1.677 121.621 119.914 0.050 0.000 2.483 1035 V HA 0.179 4.300 4.120 0.001 0.000 0.295 1035 V C -0.882 175.129 176.094 -0.138 0.000 1.035 1035 V CA -1.166 61.147 62.300 0.022 0.000 0.896 1035 V CB 1.373 33.142 31.823 -0.089 0.000 0.986 1035 V HN 0.318 nan 8.190 nan 0.000 0.447 1036 Y N 4.704 124.735 120.300 -0.448 0.000 2.393 1036 Y HA 0.563 5.113 4.550 0.001 0.000 0.338 1036 Y C -0.332 175.489 175.900 -0.132 0.000 1.029 1036 Y CA -0.040 57.757 58.100 -0.506 0.000 1.239 1036 Y CB 1.058 38.999 38.460 -0.865 0.000 1.170 1036 Y HN 0.412 nan 8.280 nan 0.000 0.515 1037 V N 5.695 125.435 119.914 -0.291 0.000 2.680 1037 V HA 0.923 5.044 4.120 0.001 0.000 0.309 1037 V C -0.594 175.468 176.094 -0.054 0.000 1.052 1037 V CA -0.481 61.794 62.300 -0.043 0.000 0.908 1037 V CB 1.322 33.146 31.823 0.001 0.000 1.001 1037 V HN 0.932 nan 8.190 nan 0.000 0.431 1038 A N 2.532 125.417 122.820 0.107 0.000 2.612 1038 A HA 0.933 5.254 4.320 0.001 0.000 0.293 1038 A C -0.467 177.098 177.584 -0.031 0.000 1.075 1038 A CA -0.295 51.781 52.037 0.066 0.000 0.680 1038 A CB 2.185 21.324 19.000 0.232 0.000 1.279 1038 A HN 0.998 nan 8.150 nan 0.000 0.411 1039 T N -1.192 113.192 114.554 -0.284 0.000 2.887 1039 T HA 0.831 5.182 4.350 0.001 0.000 0.288 1039 T C -0.156 174.587 174.700 0.071 0.000 1.021 1039 T CA -0.107 61.857 62.100 -0.226 0.000 1.000 1039 T CB 1.015 69.414 68.868 -0.781 0.000 1.034 1039 T HN 2.107 nan 8.240 nan 0.000 0.467 1040 V N -1.647 118.469 119.914 0.337 0.000 3.160 1040 V HA 0.983 5.103 4.120 0.001 0.000 0.310 1040 V C -0.569 175.819 176.094 0.490 0.000 1.181 1040 V CA -0.900 61.659 62.300 0.431 0.000 1.047 1040 V CB 1.722 33.878 31.823 0.555 0.000 1.068 1040 V HN 1.173 nan 8.190 nan 0.000 0.441 1041 S N 1.671 117.636 115.700 0.442 0.000 2.536 1041 S HA 0.332 4.803 4.470 0.001 0.000 0.246 1041 S C 0.292 175.094 174.600 0.336 0.000 1.077 1041 S CA -0.044 58.380 58.200 0.373 0.000 1.091 1041 S CB 1.271 64.635 63.200 0.274 0.000 1.148 1041 S HN 1.055 nan 8.310 nan 0.000 0.447 1042 M N 4.155 123.901 119.600 0.244 0.000 2.082 1042 M HA -0.023 4.458 4.480 0.001 0.000 0.258 1042 M C 1.914 178.273 176.300 0.098 0.000 1.069 1042 M CA 2.634 57.970 55.300 0.060 0.000 1.102 1042 M CB -0.729 31.664 32.600 -0.344 0.000 1.336 1042 M HN 0.810 nan 8.290 nan 0.000 0.404 1043 G N -1.359 107.497 108.800 0.094 0.000 2.448 1043 G HA2 -0.296 3.665 3.960 0.001 0.000 0.219 1043 G HA3 -0.296 3.665 3.960 0.001 0.000 0.219 1043 G C 1.184 176.161 174.900 0.129 0.000 1.127 1043 G CA 0.917 46.072 45.100 0.091 0.000 0.766 1043 G HN 0.619 nan 8.290 nan 0.000 0.552 1044 Y N 0.626 120.960 120.300 0.057 0.000 2.269 1044 Y HA 0.349 4.899 4.550 0.000 0.000 0.294 1044 Y C 0.940 176.876 175.900 0.060 0.000 1.120 1044 Y CA 0.905 59.039 58.100 0.056 0.000 1.159 1044 Y CB 0.446 38.953 38.460 0.078 0.000 1.024 1044 Y HN 0.132 nan 8.280 nan 0.000 0.532 1045 S N -0.130 115.619 115.700 0.082 0.000 2.614 1045 S HA 0.280 4.751 4.470 0.001 0.000 0.259 1045 S C -0.143 174.532 174.600 0.125 0.000 1.118 1045 S CA -0.776 57.417 58.200 -0.012 0.000 1.065 1045 S CB 0.787 63.991 63.200 0.006 0.000 1.121 1045 S HN 0.336 nan 8.310 nan 0.000 0.458 1046 K N 2.549 122.949 120.400 -0.001 0.000 2.155 1046 K HA -0.015 4.306 4.320 0.001 0.000 0.203 1046 K C 1.908 178.546 176.600 0.064 0.000 1.052 1046 K CA 1.052 57.334 56.287 -0.008 0.000 0.948 1046 K CB 0.042 32.165 32.500 -0.627 0.000 0.728 1046 K HN 0.634 nan 8.250 nan 0.000 0.448 1047 Q N 0.579 120.370 119.800 -0.014 0.000 2.079 1047 Q HA -0.162 4.179 4.340 0.001 0.000 0.200 1047 Q C 2.265 178.329 176.000 0.105 0.000 0.974 1047 Q CA 0.982 56.794 55.803 0.014 0.000 0.840 1047 Q CB -0.043 28.679 28.738 -0.027 0.000 0.898 1047 Q HN 0.265 nan 8.270 nan 0.000 0.430 1048 Q N 0.458 120.351 119.800 0.155 0.000 2.167 1048 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 1048 Q C 1.886 178.073 176.000 0.311 0.000 0.970 1048 Q CA 1.063 56.991 55.803 0.210 0.000 0.855 1048 Q CB -0.126 28.754 28.738 0.238 0.000 0.911 1048 Q HN 0.328 nan 8.270 nan 0.000 0.438 1049 F N 1.200 121.286 119.950 0.227 0.000 2.075 1049 F HA -0.177 4.351 4.527 0.001 0.000 0.297 1049 F C 1.964 177.926 175.800 0.271 0.000 1.113 1049 F CA 1.326 59.509 58.000 0.304 0.000 1.218 1049 F CB -0.674 38.561 39.000 0.391 0.000 0.984 1049 F HN 0.046 nan 8.300 nan 0.000 0.472 1050 L N 0.259 121.468 121.223 -0.023 0.000 2.083 1050 L HA -0.235 4.106 4.340 0.001 0.000 0.209 1050 L C 2.600 179.449 176.870 -0.036 0.000 1.083 1050 L CA 1.847 56.600 54.840 -0.146 0.000 0.752 1050 L CB -0.807 41.246 42.059 -0.009 0.000 0.899 1050 L HN 0.152 nan 8.230 nan 0.000 0.433 1051 K N 0.102 120.534 120.400 0.054 0.000 2.057 1051 K HA -0.144 4.177 4.320 0.001 0.000 0.207 1051 K C 2.001 178.674 176.600 0.121 0.000 1.049 1051 K CA 1.200 57.537 56.287 0.084 0.000 0.931 1051 K CB 0.051 32.610 32.500 0.099 0.000 0.714 1051 K HN 0.062 nan 8.250 nan 0.000 0.440 1052 V N 1.625 121.640 119.914 0.168 0.000 2.427 1052 V HA -0.229 3.892 4.120 0.001 0.000 0.248 1052 V C 2.255 178.466 176.094 0.194 0.000 1.051 1052 V CA 1.409 63.857 62.300 0.247 0.000 1.048 1052 V CB -0.299 31.734 31.823 0.349 0.000 0.666 1052 V HN 0.331 nan 8.190 nan 0.000 0.456 1053 L N -0.229 121.073 121.223 0.132 0.000 1.994 1053 L HA -0.182 4.158 4.340 0.001 0.000 0.208 1053 L C 2.729 179.804 176.870 0.342 0.000 1.071 1053 L CA 1.762 56.748 54.840 0.243 0.000 0.745 1053 L CB -0.718 41.365 42.059 0.041 0.000 0.892 1053 L HN 0.264 nan 8.230 nan 0.000 0.431 1054 K N 0.710 121.246 120.400 0.226 0.000 2.063 1054 K HA -0.214 4.107 4.320 0.001 0.000 0.208 1054 K C 1.847 178.520 176.600 0.122 0.000 1.048 1054 K CA 1.758 58.183 56.287 0.230 0.000 0.928 1054 K CB -0.051 32.523 32.500 0.122 0.000 0.713 1054 K HN 0.417 nan 8.250 nan 0.000 0.442 1055 E N -0.248 119.970 120.200 0.030 0.000 2.072 1055 E HA -0.129 4.221 4.350 0.001 0.000 0.191 1055 E C 2.006 178.300 176.600 -0.509 0.000 0.985 1055 E CA 0.973 57.298 56.400 -0.125 0.000 0.801 1055 E CB -0.087 29.610 29.700 -0.005 0.000 0.750 1055 E HN 0.382 nan 8.360 nan 0.000 0.452 1056 A N 1.646 124.102 122.820 -0.607 0.000 1.873 1056 A HA -0.209 4.112 4.320 0.001 0.000 0.215 1056 A C 2.161 179.590 177.584 -0.259 0.000 1.186 1056 A CA 1.267 52.896 52.037 -0.679 0.000 0.616 1056 A CB -0.360 18.509 19.000 -0.217 0.000 0.823 1056 A HN 0.103 nan 8.150 nan 0.000 0.442 1057 E N 0.774 120.904 120.200 -0.117 0.000 2.077 1057 E HA -0.159 4.192 4.350 0.001 0.000 0.193 1057 E C 2.279 178.819 176.600 -0.100 0.000 0.989 1057 E CA 1.705 57.985 56.400 -0.199 0.000 0.800 1057 E CB -0.251 29.239 29.700 -0.351 0.000 0.746 1057 E HN 0.661 nan 8.360 nan 0.000 0.452 1058 S N -0.207 115.491 115.700 -0.003 0.000 2.481 1058 S HA -0.081 4.390 4.470 0.001 0.000 0.231 1058 S C 0.875 175.500 174.600 0.043 0.000 0.996 1058 S CA -0.346 57.874 58.200 0.034 0.000 0.942 1058 S CB -0.551 62.693 63.200 0.074 0.000 0.768 1058 S HN 0.190 nan 8.310 nan 0.000 0.520 1059 F N 5.668 125.539 119.950 -0.132 0.000 2.571 1059 F HA 0.301 4.829 4.527 0.002 0.000 0.384 1059 F C -2.128 173.665 175.800 -0.013 0.000 1.058 1059 F CA -2.780 55.175 58.000 -0.075 0.000 1.200 1059 F CB 0.638 39.558 39.000 -0.133 0.000 1.077 1059 F HN 0.052 nan 8.300 nan 0.000 0.558 1060 P HA 0.264 nan 4.420 nan 0.000 0.225 1060 P C -0.157 176.806 177.300 -0.562 0.000 1.768 1060 P CA 0.359 63.207 63.100 -0.421 0.000 0.943 1060 P CB -0.097 31.453 31.700 -0.250 0.000 1.936 1061 G N 1.280 109.776 108.800 -0.507 0.000 2.427 1061 G HA2 0.378 4.339 3.960 0.001 0.000 0.306 1061 G HA3 0.378 4.339 3.960 0.001 0.000 0.306 1061 G C -3.573 171.479 174.900 0.253 0.000 1.280 1061 G CA -0.945 44.077 45.100 -0.131 0.000 0.837 1061 G HN -0.151 nan 8.290 nan 0.000 0.482 1062 P HA 0.465 nan 4.420 nan 0.000 0.276 1062 P C -0.671 176.822 177.300 0.322 0.000 1.230 1062 P CA 0.021 63.282 63.100 0.269 0.000 0.776 1062 P CB 1.478 33.288 31.700 0.184 0.000 0.888 1063 S N 2.133 117.941 115.700 0.180 0.000 2.521 1063 S HA 0.626 5.097 4.470 0.001 0.000 0.295 1063 S C -1.110 173.584 174.600 0.158 0.000 1.098 1063 S CA -0.447 57.854 58.200 0.169 0.000 0.999 1063 S CB 0.778 64.010 63.200 0.054 0.000 1.034 1063 S HN 0.332 nan 8.310 nan 0.000 0.483 1064 L N 4.332 125.685 121.223 0.217 0.000 2.372 1064 L HA 0.744 5.085 4.340 0.001 0.000 0.274 1064 L C -1.551 175.478 176.870 0.266 0.000 0.988 1064 L CA -0.371 54.594 54.840 0.209 0.000 0.833 1064 L CB 1.425 43.559 42.059 0.124 0.000 1.236 1064 L HN 0.445 nan 8.230 nan 0.000 0.410 1065 V N 6.638 126.750 119.914 0.331 0.000 2.487 1065 V HA 0.524 4.645 4.120 0.001 0.000 0.298 1065 V C -0.121 176.080 176.094 0.178 0.000 1.028 1065 V CA -0.385 62.137 62.300 0.370 0.000 0.860 1065 V CB 1.755 33.976 31.823 0.662 0.000 0.991 1065 V HN 0.608 nan 8.190 nan 0.000 0.427 1066 I N 4.304 124.944 120.570 0.115 0.000 2.362 1066 I HA 0.745 4.915 4.170 0.001 0.000 0.289 1066 I C 0.318 176.524 176.117 0.149 0.000 0.994 1066 I CA -0.444 60.892 61.300 0.061 0.000 1.158 1066 I CB 1.764 39.843 38.000 0.132 0.000 1.315 1066 I HN 0.661 nan 8.210 nan 0.000 0.451 1067 A N 5.544 128.283 122.820 -0.135 0.000 2.325 1067 A HA 0.510 4.831 4.320 0.001 0.000 0.333 1067 A C -1.287 176.171 177.584 -0.211 0.000 1.155 1067 A CA -0.431 51.469 52.037 -0.229 0.000 0.814 1067 A CB 0.796 19.193 19.000 -1.004 0.000 1.206 1067 A HN 0.645 nan 8.150 nan 0.000 0.482 1068 Y N 2.054 122.102 120.300 -0.421 0.000 2.504 1068 Y HA 0.461 5.012 4.550 0.002 0.000 0.351 1068 Y C 0.356 176.124 175.900 -0.220 0.000 0.988 1068 Y CA -0.223 57.403 58.100 -0.790 0.000 1.239 1068 Y CB 0.315 38.037 38.460 -1.230 0.000 1.128 1068 Y HN 0.755 nan 8.280 nan 0.000 0.525 1069 A N 5.388 127.879 122.820 -0.550 0.000 2.258 1069 A HA 0.480 4.801 4.320 0.001 0.000 0.316 1069 A C 0.139 177.498 177.584 -0.374 0.000 1.279 1069 A CA -0.381 51.523 52.037 -0.221 0.000 0.876 1069 A CB -0.150 18.792 19.000 -0.097 0.000 1.170 1069 A HN 0.786 nan 8.150 nan 0.000 0.520 1070 T N -0.848 113.597 114.554 -0.181 0.000 2.860 1070 T HA 0.481 4.832 4.350 0.001 0.000 0.299 1070 T C 0.056 174.705 174.700 -0.084 0.000 1.045 1070 T CA -0.483 61.541 62.100 -0.126 0.000 1.071 1070 T CB 1.031 69.907 68.868 0.012 0.000 0.985 1070 T HN 1.297 nan 8.240 nan 0.000 0.537 1071 C N 2.850 122.109 119.300 -0.068 0.000 3.239 1071 C HA 0.495 4.956 4.460 0.001 0.000 0.329 1071 C C 1.699 176.670 174.990 -0.031 0.000 1.252 1071 C CA -0.868 58.127 59.018 -0.039 0.000 1.323 1071 C CB 0.088 27.800 27.740 -0.047 0.000 1.663 1071 C HN 1.096 nan 8.230 nan 0.000 0.487 1072 I N 1.297 121.858 120.570 -0.014 0.000 2.423 1072 I HA -0.123 4.048 4.170 0.001 0.000 0.254 1072 I C 1.635 177.731 176.117 -0.035 0.000 1.151 1072 I CA 2.106 63.396 61.300 -0.017 0.000 1.421 1072 I CB -0.611 37.388 38.000 -0.003 0.000 1.079 1072 I HN 0.779 nan 8.210 nan 0.000 0.431 1073 N N 1.020 119.696 118.700 -0.041 0.000 2.289 1073 N HA -0.189 4.552 4.740 0.001 0.000 0.184 1073 N C 1.788 177.247 175.510 -0.085 0.000 1.016 1073 N CA 1.132 54.145 53.050 -0.061 0.000 0.872 1073 N CB -0.146 38.305 38.487 -0.059 0.000 0.973 1073 N HN 0.571 nan 8.380 nan 0.000 0.433 1074 Q N -0.097 119.653 119.800 -0.083 0.000 2.369 1074 Q HA 0.047 4.388 4.340 0.001 0.000 0.206 1074 Q C 0.676 176.617 176.000 -0.099 0.000 0.963 1074 Q CA 0.481 56.221 55.803 -0.106 0.000 0.894 1074 Q CB 0.320 29.011 28.738 -0.079 0.000 0.965 1074 Q HN 0.391 nan 8.270 nan 0.000 0.475 1075 G N 1.502 110.260 108.800 -0.070 0.000 2.351 1075 G HA2 -0.259 3.702 3.960 0.001 0.000 0.297 1075 G HA3 -0.259 3.702 3.960 0.001 0.000 0.297 1075 G C -0.299 174.573 174.900 -0.047 0.000 1.054 1075 G CA -0.295 44.771 45.100 -0.057 0.000 1.123 1075 G HN 0.238 nan 8.290 nan 0.000 0.512 1076 L N -0.049 121.152 121.223 -0.037 0.000 2.534 1076 L HA 0.138 4.478 4.340 0.001 0.000 0.271 1076 L C 2.121 178.978 176.870 -0.022 0.000 1.178 1076 L CA -0.158 54.664 54.840 -0.031 0.000 0.907 1076 L CB 0.303 42.354 42.059 -0.013 0.000 1.164 1076 L HN 0.388 nan 8.230 nan 0.000 0.482 1077 R N 2.240 122.726 120.500 -0.023 0.000 2.285 1077 R HA -0.090 4.251 4.340 0.001 0.000 0.213 1077 R C 0.984 177.280 176.300 -0.007 0.000 1.068 1077 R CA 0.963 57.054 56.100 -0.014 0.000 1.004 1077 R CB 0.023 30.314 30.300 -0.014 0.000 0.873 1077 R HN 0.554 nan 8.270 nan 0.000 0.467 1078 K N -0.202 120.196 120.400 -0.003 0.000 2.387 1078 K HA 0.184 4.505 4.320 0.001 0.000 0.203 1078 K C -0.033 176.570 176.600 0.005 0.000 1.030 1078 K CA 0.216 56.505 56.287 0.003 0.000 1.099 1078 K CB 1.722 34.226 32.500 0.006 0.000 0.863 1078 K HN 0.247 nan 8.250 nan 0.000 0.529 1079 G N 0.949 109.751 108.800 0.003 0.000 2.515 1079 G HA2 -0.177 3.784 3.960 0.001 0.000 0.686 1079 G HA3 -0.177 3.784 3.960 0.001 0.000 0.686 1079 G C 0.136 175.041 174.900 0.008 0.000 1.274 1079 G CA -0.883 44.221 45.100 0.005 0.000 0.874 1079 G HN -0.106 nan 8.290 nan 0.000 0.631 1080 M N 1.123 120.729 119.600 0.009 0.000 2.630 1080 M HA 0.055 4.535 4.480 0.001 0.000 0.254 1080 M C 2.424 178.733 176.300 0.015 0.000 1.092 1080 M CA 1.634 56.941 55.300 0.012 0.000 1.087 1080 M CB -0.975 31.632 32.600 0.012 0.000 1.453 1080 M HN 0.983 nan 8.290 nan 0.000 0.509 1081 G N 0.060 108.869 108.800 0.015 0.000 2.679 1081 G HA2 -0.122 3.839 3.960 0.001 0.000 0.212 1081 G HA3 -0.122 3.839 3.960 0.001 0.000 0.212 1081 G C 1.451 176.363 174.900 0.021 0.000 1.137 1081 G CA 0.327 45.437 45.100 0.017 0.000 0.787 1081 G HN 0.269 nan 8.290 nan 0.000 0.534 1082 K N 0.767 121.182 120.400 0.023 0.000 2.397 1082 K HA 0.257 4.578 4.320 0.001 0.000 0.202 1082 K C 2.004 178.631 176.600 0.046 0.000 1.022 1082 K CA -0.068 56.238 56.287 0.032 0.000 1.141 1082 K CB 0.491 33.008 32.500 0.030 0.000 0.857 1082 K HN 0.124 nan 8.250 nan 0.000 0.514 1083 S N 1.692 117.416 115.700 0.040 0.000 2.365 1083 S HA -0.173 4.297 4.470 0.001 0.000 0.225 1083 S C 1.766 176.409 174.600 0.071 0.000 1.039 1083 S CA 1.297 59.531 58.200 0.056 0.000 1.033 1083 S CB 0.031 63.245 63.200 0.025 0.000 0.887 1083 S HN 0.338 nan 8.310 nan 0.000 0.447 1084 Q N 0.848 120.673 119.800 0.042 0.000 2.061 1084 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 1084 Q C 1.958 178.000 176.000 0.070 0.000 0.984 1084 Q CA 1.647 57.477 55.803 0.044 0.000 0.846 1084 Q CB -0.814 27.939 28.738 0.025 0.000 0.902 1084 Q HN 0.595 nan 8.270 nan 0.000 0.421 1085 D N -0.087 120.352 120.400 0.065 0.000 2.117 1085 D HA -0.120 4.520 4.640 0.001 0.000 0.197 1085 D C 1.894 178.257 176.300 0.105 0.000 0.987 1085 D CA 0.907 54.951 54.000 0.074 0.000 0.829 1085 D CB 0.175 41.010 40.800 0.058 0.000 0.961 1085 D HN 0.010 nan 8.370 nan 0.000 0.460 1086 V N 0.198 120.187 119.914 0.126 0.000 2.358 1086 V HA -0.232 3.889 4.120 0.001 0.000 0.246 1086 V C 2.460 178.671 176.094 0.195 0.000 1.047 1086 V CA 1.656 64.076 62.300 0.200 0.000 1.035 1086 V CB -0.429 31.510 31.823 0.192 0.000 0.658 1086 V HN 0.324 nan 8.190 nan 0.000 0.452 1087 M N -0.111 119.586 119.600 0.162 0.000 2.159 1087 M HA -0.199 4.282 4.480 0.001 0.000 0.263 1087 M C 2.123 178.443 176.300 0.034 0.000 1.063 1087 M CA 2.055 57.407 55.300 0.087 0.000 1.110 1087 M CB -0.725 31.980 32.600 0.175 0.000 1.374 1087 M HN 0.465 nan 8.290 nan 0.000 0.411 1088 N N -0.526 118.239 118.700 0.108 0.000 2.084 1088 N HA -0.150 4.591 4.740 0.001 0.000 0.190 1088 N C 1.374 176.939 175.510 0.092 0.000 1.030 1088 N CA 1.691 54.845 53.050 0.174 0.000 0.849 1088 N CB 0.145 38.718 38.487 0.144 0.000 1.012 1088 N HN 0.234 nan 8.380 nan 0.000 0.423 1089 T N 0.503 115.079 114.554 0.038 0.000 2.821 1089 T HA -0.017 4.334 4.350 0.001 0.000 0.267 1089 T C 1.899 176.388 174.700 -0.351 0.000 1.046 1089 T CA 0.945 63.018 62.100 -0.046 0.000 1.139 1089 T CB -0.343 68.583 68.868 0.097 0.000 0.871 1089 T HN 0.416 nan 8.240 nan 0.000 0.454 1090 A N 0.985 123.519 122.820 -0.476 0.000 1.917 1090 A HA -0.120 4.201 4.320 0.001 0.000 0.219 1090 A C 2.537 179.857 177.584 -0.439 0.000 1.182 1090 A CA 1.744 53.247 52.037 -0.890 0.000 0.633 1090 A CB -1.004 17.477 19.000 -0.865 0.000 0.819 1090 A HN 0.386 nan 8.150 nan 0.000 0.448 1091 V N -0.322 119.416 119.914 -0.293 0.000 2.302 1091 V HA -0.200 3.921 4.120 0.001 0.000 0.243 1091 V C 2.397 178.294 176.094 -0.327 0.000 1.036 1091 V CA 2.122 64.232 62.300 -0.317 0.000 1.020 1091 V CB -0.670 30.745 31.823 -0.679 0.000 0.657 1091 V HN 0.520 nan 8.190 nan 0.000 0.453 1092 K N 1.152 121.406 120.400 -0.243 0.000 2.063 1092 K HA -0.180 4.140 4.320 0.001 0.000 0.208 1092 K C 2.250 178.753 176.600 -0.163 0.000 1.048 1092 K CA 1.873 58.082 56.287 -0.130 0.000 0.928 1092 K CB -0.414 32.086 32.500 0.000 0.000 0.713 1092 K HN 0.625 nan 8.250 nan 0.000 0.442 1093 S N -0.511 115.064 115.700 -0.210 0.000 2.507 1093 S HA -0.009 4.461 4.470 0.001 0.000 0.235 1093 S C 1.520 176.019 174.600 -0.169 0.000 0.988 1093 S CA 0.802 58.881 58.200 -0.201 0.000 0.944 1093 S CB -0.122 62.889 63.200 -0.314 0.000 0.762 1093 S HN 0.502 nan 8.310 nan 0.000 0.526 1094 G N 0.248 108.948 108.800 -0.168 0.000 2.179 1094 G HA2 -0.409 3.552 3.960 0.001 0.000 0.260 1094 G HA3 -0.409 3.552 3.960 0.001 0.000 0.260 1094 G C 0.358 175.265 174.900 0.011 0.000 0.977 1094 G CA 0.456 45.496 45.100 -0.101 0.000 0.641 1094 G HN 0.625 nan 8.290 nan 0.000 0.533 1095 Y N -0.448 119.742 120.300 -0.183 0.000 2.181 1095 Y HA 0.168 4.719 4.550 0.002 0.000 0.288 1095 Y C 1.352 177.287 175.900 0.059 0.000 1.146 1095 Y CA 1.943 59.980 58.100 -0.105 0.000 1.164 1095 Y CB 0.180 38.441 38.460 -0.333 0.000 0.982 1095 Y HN 0.360 nan 8.280 nan 0.000 0.515 1096 W N 4.732 125.960 121.300 -0.120 0.000 2.433 1096 W HA 0.313 4.973 4.660 0.001 0.000 0.288 1096 W C -2.971 173.481 176.519 -0.112 0.000 0.986 1096 W CA -2.226 55.039 57.345 -0.134 0.000 1.680 1096 W CB 0.858 30.225 29.460 -0.155 0.000 1.615 1096 W HN -0.022 nan 8.180 nan 0.000 0.416 1097 P HA 0.140 nan 4.420 nan 0.000 0.275 1097 P C -0.402 176.814 177.300 -0.139 0.000 1.227 1097 P CA 0.209 63.325 63.100 0.027 0.000 0.781 1097 P CB 1.924 33.773 31.700 0.248 0.000 0.906 1098 L N 4.064 125.251 121.223 -0.060 0.000 2.325 1098 L HA 0.592 4.933 4.340 0.001 0.000 0.279 1098 L C 0.255 177.094 176.870 -0.051 0.000 1.054 1098 L CA -0.614 54.146 54.840 -0.133 0.000 0.804 1098 L CB 0.339 42.425 42.059 0.045 0.000 1.200 1098 L HN 0.454 nan 8.230 nan 0.000 0.436 1099 F N 0.177 120.083 119.950 -0.075 0.000 2.741 1099 F HA 0.708 5.236 4.527 0.001 0.000 0.311 1099 F C -1.219 174.440 175.800 -0.235 0.000 1.149 1099 F CA -1.426 56.423 58.000 -0.251 0.000 0.930 1099 F CB 1.480 40.269 39.000 -0.351 0.000 1.312 1099 F HN 0.245 nan 8.300 nan 0.000 0.450 1100 R N 0.825 121.282 120.500 -0.070 0.000 2.628 1100 R HA 0.471 4.812 4.340 0.001 0.000 0.288 1100 R C -2.340 173.785 176.300 -0.291 0.000 0.980 1100 R CA -0.981 55.034 56.100 -0.143 0.000 0.891 1100 R CB 2.667 32.886 30.300 -0.135 0.000 1.188 1100 R HN 0.854 nan 8.270 nan 0.000 0.450 1101 Y N 2.243 122.276 120.300 -0.444 0.000 2.376 1101 Y HA 0.243 4.794 4.550 0.001 0.000 0.326 1101 Y C -1.041 174.445 175.900 -0.690 0.000 0.970 1101 Y CA -0.643 57.230 58.100 -0.379 0.000 1.248 1101 Y CB 1.091 39.439 38.460 -0.187 0.000 1.117 1101 Y HN 0.456 nan 8.280 nan 0.000 0.476 1102 D N 8.492 128.461 120.400 -0.719 0.000 2.460 1102 D HA 0.311 4.951 4.640 0.001 0.000 0.232 1102 D C -2.140 173.885 176.300 -0.459 0.000 1.079 1102 D CA -2.508 51.189 54.000 -0.504 0.000 0.864 1102 D CB 2.078 42.767 40.800 -0.185 0.000 1.048 1102 D HN 0.314 nan 8.370 nan 0.000 0.523 1103 P HA -0.164 nan 4.420 nan 0.000 0.218 1103 P C 1.197 178.322 177.300 -0.291 0.000 1.146 1103 P CA 1.069 63.925 63.100 -0.405 0.000 0.813 1103 P CB 0.118 31.455 31.700 -0.605 0.000 0.778 1104 R N -0.608 119.813 120.500 -0.133 0.000 2.235 1104 R HA 0.039 4.379 4.340 0.001 0.000 0.213 1104 R C 1.913 178.269 176.300 0.094 0.000 1.059 1104 R CA 0.799 56.992 56.100 0.155 0.000 0.997 1104 R CB -1.294 29.173 30.300 0.279 0.000 0.884 1104 R HN 0.251 nan 8.270 nan 0.000 0.462 1105 L N 1.043 122.238 121.223 -0.047 0.000 2.093 1105 L HA -0.041 4.300 4.340 0.001 0.000 0.208 1105 L C 2.779 179.584 176.870 -0.108 0.000 1.085 1105 L CA 1.224 56.006 54.840 -0.097 0.000 0.755 1105 L CB -0.539 41.394 42.059 -0.211 0.000 0.904 1105 L HN 0.307 nan 8.230 nan 0.000 0.435 1106 A N 0.108 122.850 122.820 -0.130 0.000 1.933 1106 A HA -0.167 4.154 4.320 0.001 0.000 0.218 1106 A C 2.480 180.165 177.584 0.167 0.000 1.175 1106 A CA 1.630 53.645 52.037 -0.037 0.000 0.628 1106 A CB -0.576 18.450 19.000 0.043 0.000 0.814 1106 A HN 0.406 nan 8.150 nan 0.000 0.444 1107 A N -0.791 122.163 122.820 0.224 0.000 2.015 1107 A HA -0.145 4.175 4.320 0.001 0.000 0.219 1107 A C 1.897 179.576 177.584 0.158 0.000 1.163 1107 A CA 1.428 53.611 52.037 0.243 0.000 0.646 1107 A CB -0.392 18.811 19.000 0.339 0.000 0.806 1107 A HN 0.665 nan 8.150 nan 0.000 0.448 1108 Q N -1.400 118.472 119.800 0.121 0.000 2.320 1108 Q HA 0.301 4.642 4.340 0.001 0.000 0.201 1108 Q C 0.956 177.011 176.000 0.091 0.000 0.910 1108 Q CA 0.270 56.125 55.803 0.087 0.000 0.946 1108 Q CB 0.158 28.931 28.738 0.058 0.000 1.062 1108 Q HN 0.810 nan 8.270 nan 0.000 0.503 1109 G N 1.402 110.288 108.800 0.143 0.000 2.143 1109 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 1109 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 1109 G C -0.118 174.917 174.900 0.224 0.000 0.991 1109 G CA 0.237 45.471 45.100 0.224 0.000 0.689 1109 G HN 0.245 nan 8.290 nan 0.000 0.522 1110 K N -0.499 119.900 120.400 -0.002 0.000 2.238 1110 K HA 0.449 4.769 4.320 0.001 0.000 0.239 1110 K C -0.147 175.958 176.600 -0.825 0.000 0.987 1110 K CA -1.144 55.022 56.287 -0.201 0.000 0.857 1110 K CB 0.788 33.203 32.500 -0.141 0.000 1.154 1110 K HN 0.031 nan 8.250 nan 0.000 0.439 1111 N N 2.971 121.187 118.700 -0.806 0.000 2.452 1111 N HA 0.021 4.762 4.740 0.001 0.000 0.266 1111 N C -1.660 173.441 175.510 -0.682 0.000 1.209 1111 N CA -1.696 50.751 53.050 -1.006 0.000 0.929 1111 N CB 0.720 38.968 38.487 -0.400 0.000 1.063 1111 N HN 0.324 nan 8.380 nan 0.000 0.472 1112 P HA -0.105 nan 4.420 nan 0.000 0.220 1112 P C 0.247 177.146 177.300 -0.669 0.000 1.148 1112 P CA 0.696 63.351 63.100 -0.741 0.000 0.803 1112 P CB 0.097 31.169 31.700 -1.046 0.000 0.782 1113 F N 1.738 121.321 119.950 -0.613 0.000 2.420 1113 F HA 0.292 4.819 4.527 0.001 0.000 0.352 1113 F C 0.052 175.702 175.800 -0.250 0.000 1.108 1113 F CA -0.322 57.456 58.000 -0.370 0.000 1.162 1113 F CB 0.639 39.502 39.000 -0.229 0.000 1.118 1113 F HN -0.167 nan 8.300 nan 0.000 0.510 1114 Q N 6.434 125.678 119.800 -0.926 0.000 2.321 1114 Q HA 0.434 4.775 4.340 0.001 0.000 0.270 1114 Q C -1.265 174.295 176.000 -0.733 0.000 1.032 1114 Q CA -0.756 54.683 55.803 -0.606 0.000 0.784 1114 Q CB 2.741 31.285 28.738 -0.324 0.000 1.264 1114 Q HN 0.671 nan 8.270 nan 0.000 0.448 1115 L N 2.800 123.772 121.223 -0.420 0.000 2.281 1115 L HA 0.209 4.550 4.340 0.001 0.000 0.285 1115 L C -0.076 176.767 176.870 -0.045 0.000 1.074 1115 L CA -0.005 54.720 54.840 -0.191 0.000 0.817 1115 L CB 0.796 42.815 42.059 -0.067 0.000 1.168 1115 L HN 0.768 nan 8.230 nan 0.000 0.434 1116 D N 0.765 121.181 120.400 0.027 0.000 2.369 1116 D HA 0.062 4.703 4.640 0.001 0.000 0.211 1116 D C 0.546 176.960 176.300 0.190 0.000 1.077 1116 D CA 0.306 54.364 54.000 0.097 0.000 0.842 1116 D CB 0.654 41.519 40.800 0.108 0.000 0.947 1116 D HN 0.525 nan 8.370 nan 0.000 0.509 1117 S N -1.061 114.752 115.700 0.188 0.000 2.709 1117 S HA 0.637 5.108 4.470 0.001 0.000 0.302 1117 S C -0.177 174.600 174.600 0.294 0.000 1.127 1117 S CA -0.870 57.447 58.200 0.195 0.000 0.905 1117 S CB 2.635 65.818 63.200 -0.030 0.000 1.151 1117 S HN -0.217 nan 8.310 nan 0.000 0.510 1118 K N 0.109 120.624 120.400 0.192 0.000 2.168 1118 K HA 0.739 5.060 4.320 0.001 0.000 0.239 1118 K C 0.027 176.418 176.600 -0.349 0.000 0.999 1118 K CA -0.827 55.535 56.287 0.125 0.000 0.900 1118 K CB 1.099 33.634 32.500 0.058 0.000 1.111 1118 K HN 0.833 nan 8.250 nan 0.000 0.452 1119 A N 1.967 124.424 122.820 -0.605 0.000 2.555 1119 A HA 0.134 4.454 4.320 0.001 0.000 0.233 1119 A C -2.158 174.996 177.584 -0.716 0.000 1.060 1119 A CA -0.708 50.594 52.037 -1.226 0.000 0.759 1119 A CB -0.840 17.863 19.000 -0.496 0.000 0.995 1119 A HN 0.380 nan 8.150 nan 0.000 0.506 1120 P HA -0.039 nan 4.420 nan 0.000 0.261 1120 P C -0.192 176.981 177.300 -0.212 0.000 1.165 1120 P CA 0.777 63.678 63.100 -0.332 0.000 0.759 1120 P CB 0.426 31.988 31.700 -0.229 0.000 0.772 1121 D N 2.027 122.337 120.400 -0.150 0.000 2.328 1121 D HA 0.094 4.735 4.640 0.001 0.000 0.221 1121 D C 1.307 177.569 176.300 -0.063 0.000 1.072 1121 D CA 0.317 54.261 54.000 -0.093 0.000 0.850 1121 D CB -0.568 40.193 40.800 -0.065 0.000 0.922 1121 D HN 0.543 nan 8.370 nan 0.000 0.516 1122 G N 0.363 109.123 108.800 -0.065 0.000 2.159 1122 G HA2 -0.337 3.624 3.960 0.001 0.000 0.256 1122 G HA3 -0.337 3.624 3.960 0.001 0.000 0.256 1122 G C 1.011 175.896 174.900 -0.025 0.000 0.977 1122 G CA 0.650 45.728 45.100 -0.038 0.000 0.652 1122 G HN 0.679 nan 8.290 nan 0.000 0.531 1123 S N -0.876 114.805 115.700 -0.032 0.000 2.593 1123 S HA 0.307 4.778 4.470 0.001 0.000 0.217 1123 S C 2.070 176.675 174.600 0.009 0.000 0.966 1123 S CA 1.113 59.308 58.200 -0.009 0.000 0.914 1123 S CB 0.882 64.077 63.200 -0.008 0.000 0.776 1123 S HN 1.198 nan 8.310 nan 0.000 0.523 1124 V N 2.144 122.050 119.914 -0.013 0.000 2.317 1124 V HA -0.281 3.840 4.120 0.001 0.000 0.251 1124 V C 2.644 178.763 176.094 0.042 0.000 1.065 1124 V CA 2.812 65.121 62.300 0.015 0.000 1.049 1124 V CB -0.736 31.091 31.823 0.006 0.000 0.651 1124 V HN 0.642 nan 8.190 nan 0.000 0.450 1125 E N 0.369 120.576 120.200 0.012 0.000 2.058 1125 E HA -0.266 4.085 4.350 0.001 0.000 0.194 1125 E C 2.045 178.642 176.600 -0.004 0.000 0.997 1125 E CA 2.348 58.744 56.400 -0.007 0.000 0.801 1125 E CB -0.379 29.322 29.700 0.001 0.000 0.746 1125 E HN 0.805 nan 8.360 nan 0.000 0.450 1126 E N -0.803 119.410 120.200 0.022 0.000 2.106 1126 E HA -0.142 4.209 4.350 0.001 0.000 0.192 1126 E C 1.874 178.492 176.600 0.029 0.000 0.984 1126 E CA 0.871 57.285 56.400 0.023 0.000 0.806 1126 E CB -0.341 29.380 29.700 0.035 0.000 0.750 1126 E HN 0.308 nan 8.360 nan 0.000 0.458 1127 F N 1.873 121.757 119.950 -0.109 0.000 2.065 1127 F HA -0.245 4.282 4.527 0.000 0.000 0.298 1127 F C 1.819 177.512 175.800 -0.180 0.000 1.112 1127 F CA 1.551 59.460 58.000 -0.151 0.000 1.212 1127 F CB -0.264 38.603 39.000 -0.221 0.000 0.975 1127 F HN -0.096 nan 8.300 nan 0.000 0.476 1128 L N -0.626 120.398 121.223 -0.333 0.000 1.988 1128 L HA -0.247 4.094 4.340 0.001 0.000 0.207 1128 L C 2.500 179.272 176.870 -0.164 0.000 1.071 1128 L CA 1.136 55.646 54.840 -0.550 0.000 0.744 1128 L CB -0.842 40.802 42.059 -0.691 0.000 0.893 1128 L HN 0.141 nan 8.230 nan 0.000 0.433 1129 M N -0.114 119.433 119.600 -0.089 0.000 2.530 1129 M HA -0.121 4.359 4.480 0.001 0.000 0.261 1129 M C 2.021 178.311 176.300 -0.018 0.000 1.067 1129 M CA 1.159 56.453 55.300 -0.009 0.000 1.071 1129 M CB -1.344 31.254 32.600 -0.003 0.000 1.405 1129 M HN 0.307 nan 8.290 nan 0.000 0.478 1130 A N -0.579 122.201 122.820 -0.068 0.000 2.275 1130 A HA 0.088 4.409 4.320 0.001 0.000 0.212 1130 A C 0.670 178.212 177.584 -0.071 0.000 1.201 1130 A CA 0.072 52.072 52.037 -0.062 0.000 0.843 1130 A CB -0.033 18.926 19.000 -0.069 0.000 0.873 1130 A HN 0.500 nan 8.150 nan 0.000 0.492 1131 Q N -0.683 119.087 119.800 -0.051 0.000 2.331 1131 Q HA 0.240 4.581 4.340 0.001 0.000 0.267 1131 Q C 0.076 176.076 176.000 0.001 0.000 1.006 1131 Q CA -0.588 55.197 55.803 -0.030 0.000 0.818 1131 Q CB 1.472 30.197 28.738 -0.021 0.000 1.276 1131 Q HN 0.371 nan 8.270 nan 0.000 0.450 1132 N N 2.054 120.729 118.700 -0.042 0.000 2.205 1132 N HA -0.214 4.526 4.740 0.001 0.000 0.186 1132 N C 1.483 176.934 175.510 -0.099 0.000 1.015 1132 N CA 1.595 54.617 53.050 -0.047 0.000 0.862 1132 N CB 0.227 38.683 38.487 -0.051 0.000 0.986 1132 N HN 0.533 nan 8.380 nan 0.000 0.429 1133 R N -1.351 119.024 120.500 -0.208 0.000 2.249 1133 R HA -0.116 4.225 4.340 0.001 0.000 0.230 1133 R C 0.976 176.967 176.300 -0.513 0.000 1.121 1133 R CA 1.354 57.224 56.100 -0.383 0.000 0.997 1133 R CB -0.541 29.440 30.300 -0.531 0.000 0.867 1133 R HN 0.306 nan 8.270 nan 0.000 0.465 1134 F N 0.178 120.103 119.950 -0.041 0.000 2.514 1134 F HA 0.381 4.909 4.527 0.002 0.000 0.281 1134 F C 2.653 178.450 175.800 -0.006 0.000 1.060 1134 F CA 0.217 58.204 58.000 -0.021 0.000 1.397 1134 F CB -0.094 38.878 39.000 -0.047 0.000 1.129 1134 F HN 0.041 nan 8.300 nan 0.000 0.620 1135 A N -0.081 122.829 122.820 0.151 0.000 1.933 1135 A HA -0.138 4.183 4.320 0.001 0.000 0.218 1135 A C 2.246 179.871 177.584 0.067 0.000 1.175 1135 A CA 1.731 53.823 52.037 0.091 0.000 0.628 1135 A CB -1.183 17.848 19.000 0.052 0.000 0.814 1135 A HN 0.222 nan 8.150 nan 0.000 0.444 1136 V N -0.445 119.494 119.914 0.042 0.000 2.469 1136 V HA -0.200 3.921 4.120 0.001 0.000 0.251 1136 V C 2.320 178.468 176.094 0.090 0.000 1.064 1136 V CA 2.207 64.531 62.300 0.040 0.000 1.066 1136 V CB -0.385 31.444 31.823 0.010 0.000 0.667 1136 V HN 0.542 nan 8.190 nan 0.000 0.461 1137 L N 0.550 121.840 121.223 0.111 0.000 2.056 1137 L HA -0.114 4.226 4.340 0.001 0.000 0.207 1137 L C 2.132 179.118 176.870 0.193 0.000 1.078 1137 L CA 2.647 57.598 54.840 0.185 0.000 0.749 1137 L CB -0.895 41.250 42.059 0.143 0.000 0.901 1137 L HN 0.532 nan 8.230 nan 0.000 0.433 1138 D N -0.892 119.589 120.400 0.136 0.000 2.123 1138 D HA -0.207 4.434 4.640 0.001 0.000 0.196 1138 D C 2.209 178.554 176.300 0.076 0.000 0.992 1138 D CA 1.363 55.426 54.000 0.106 0.000 0.833 1138 D CB 0.071 40.921 40.800 0.083 0.000 0.954 1138 D HN 0.290 nan 8.370 nan 0.000 0.455 1139 R N -0.484 120.050 120.500 0.058 0.000 2.153 1139 R HA 0.099 4.440 4.340 0.001 0.000 0.218 1139 R C 2.109 178.398 176.300 -0.018 0.000 1.072 1139 R CA 0.959 57.070 56.100 0.018 0.000 0.990 1139 R CB 0.123 30.429 30.300 0.010 0.000 0.889 1139 R HN 0.107 nan 8.270 nan 0.000 0.452 1140 S N -0.150 115.550 115.700 -0.001 0.000 2.460 1140 S HA 0.134 4.605 4.470 0.001 0.000 0.226 1140 S C 0.175 174.524 174.600 -0.419 0.000 1.057 1140 S CA 0.480 58.570 58.200 -0.183 0.000 0.948 1140 S CB 0.344 63.490 63.200 -0.090 0.000 0.822 1140 S HN 0.102 nan 8.310 nan 0.000 0.512 1141 F N 1.886 121.848 119.950 0.020 0.000 2.564 1141 F HA 0.377 4.904 4.527 0.001 0.000 0.329 1141 F C -1.911 173.906 175.800 0.029 0.000 1.458 1141 F CA -2.349 55.666 58.000 0.025 0.000 1.117 1141 F CB 0.947 39.965 39.000 0.029 0.000 1.383 1141 F HN -0.001 nan 8.300 nan 0.000 0.571 1142 P HA -0.254 nan 4.420 nan 0.000 0.218 1142 P C 0.940 178.299 177.300 0.098 0.000 1.154 1142 P CA 1.938 65.094 63.100 0.094 0.000 0.872 1142 P CB 0.456 32.183 31.700 0.046 0.000 0.790 1143 E N -0.404 119.858 120.200 0.102 0.000 2.047 1143 E HA -0.153 4.198 4.350 0.001 0.000 0.191 1143 E C 1.963 178.619 176.600 0.094 0.000 0.987 1143 E CA 1.049 57.501 56.400 0.086 0.000 0.799 1143 E CB -0.453 29.294 29.700 0.079 0.000 0.752 1143 E HN 0.220 nan 8.360 nan 0.000 0.449 1144 D N 0.519 120.995 120.400 0.126 0.000 2.144 1144 D HA -0.093 4.548 4.640 0.001 0.000 0.200 1144 D C 1.899 178.254 176.300 0.092 0.000 0.978 1144 D CA 1.202 55.260 54.000 0.096 0.000 0.833 1144 D CB -0.244 40.603 40.800 0.079 0.000 0.961 1144 D HN 0.148 nan 8.370 nan 0.000 0.470 1145 A N 1.076 123.969 122.820 0.122 0.000 1.883 1145 A HA -0.239 4.082 4.320 0.001 0.000 0.217 1145 A C 2.077 179.717 177.584 0.094 0.000 1.186 1145 A CA 1.801 53.909 52.037 0.119 0.000 0.624 1145 A CB -0.526 18.557 19.000 0.139 0.000 0.822 1145 A HN 0.144 nan 8.150 nan 0.000 0.444 1146 K N -0.502 119.946 120.400 0.079 0.000 2.020 1146 K HA -0.218 4.103 4.320 0.001 0.000 0.212 1146 K C 2.354 178.986 176.600 0.053 0.000 1.050 1146 K CA 1.781 58.103 56.287 0.058 0.000 0.929 1146 K CB -0.238 32.292 32.500 0.050 0.000 0.714 1146 K HN 0.453 nan 8.250 nan 0.000 0.443 1147 R N 0.311 120.843 120.500 0.054 0.000 2.080 1147 R HA -0.123 4.217 4.340 0.001 0.000 0.236 1147 R C 2.495 178.828 176.300 0.055 0.000 1.137 1147 R CA 1.772 57.900 56.100 0.046 0.000 0.943 1147 R CB -0.399 29.927 30.300 0.043 0.000 0.846 1147 R HN 0.231 nan 8.270 nan 0.000 0.431 1148 L N 0.040 121.305 121.223 0.070 0.000 2.093 1148 L HA -0.153 4.188 4.340 0.001 0.000 0.208 1148 L C 2.566 179.492 176.870 0.094 0.000 1.085 1148 L CA 1.283 56.176 54.840 0.088 0.000 0.755 1148 L CB -0.323 41.799 42.059 0.104 0.000 0.904 1148 L HN 0.159 nan 8.230 nan 0.000 0.435 1149 R N -0.108 120.438 120.500 0.076 0.000 2.092 1149 R HA -0.069 4.272 4.340 0.001 0.000 0.231 1149 R C 2.425 178.754 176.300 0.047 0.000 1.119 1149 R CA 1.184 57.308 56.100 0.041 0.000 0.970 1149 R CB -0.418 29.890 30.300 0.013 0.000 0.864 1149 R HN 0.332 nan 8.270 nan 0.000 0.440 1150 A N 1.031 123.882 122.820 0.051 0.000 1.930 1150 A HA -0.214 4.106 4.320 0.001 0.000 0.217 1150 A C 2.092 179.727 177.584 0.084 0.000 1.175 1150 A CA 1.138 53.208 52.037 0.055 0.000 0.627 1150 A CB -0.409 18.613 19.000 0.036 0.000 0.815 1150 A HN 0.330 nan 8.150 nan 0.000 0.443 1151 Q N -0.292 119.559 119.800 0.084 0.000 2.084 1151 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 1151 Q C 1.970 178.054 176.000 0.141 0.000 0.978 1151 Q CA 1.831 57.702 55.803 0.113 0.000 0.844 1151 Q CB -0.189 28.604 28.738 0.092 0.000 0.898 1151 Q HN 0.413 nan 8.270 nan 0.000 0.426 1152 V N 0.891 120.879 119.914 0.122 0.000 2.343 1152 V HA -0.288 3.833 4.120 0.001 0.000 0.247 1152 V C 2.342 178.509 176.094 0.121 0.000 1.051 1152 V CA 1.814 64.195 62.300 0.134 0.000 1.036 1152 V CB -0.977 30.932 31.823 0.144 0.000 0.654 1152 V HN 0.517 nan 8.190 nan 0.000 0.451 1153 A N -0.692 122.191 122.820 0.105 0.000 1.933 1153 A HA -0.310 4.011 4.320 0.001 0.000 0.218 1153 A C 2.096 179.741 177.584 0.102 0.000 1.175 1153 A CA 2.378 54.468 52.037 0.088 0.000 0.628 1153 A CB -0.786 18.256 19.000 0.070 0.000 0.814 1153 A HN 0.755 nan 8.150 nan 0.000 0.444 1154 H N -0.064 119.026 119.070 0.034 0.000 2.363 1154 H HA -0.019 4.537 4.556 0.001 0.000 0.301 1154 H C 1.935 177.281 175.328 0.031 0.000 1.074 1154 H CA 1.834 57.898 56.048 0.028 0.000 1.354 1154 H CB -0.117 29.660 29.762 0.024 0.000 1.397 1154 H HN 0.607 nan 8.280 nan 0.000 0.516 1155 E N -0.036 120.169 120.200 0.009 0.000 2.058 1155 E HA -0.181 4.170 4.350 0.001 0.000 0.194 1155 E C 2.190 178.750 176.600 -0.066 0.000 0.997 1155 E CA 1.604 57.977 56.400 -0.047 0.000 0.801 1155 E CB -0.203 29.517 29.700 0.033 0.000 0.746 1155 E HN 0.567 nan 8.360 nan 0.000 0.450 1156 L N -0.372 120.843 121.223 -0.014 0.000 2.291 1156 L HA 0.049 4.390 4.340 0.001 0.000 0.214 1156 L C 1.739 178.618 176.870 0.015 0.000 1.120 1156 L CA 1.705 56.549 54.840 0.006 0.000 0.799 1156 L CB -0.419 41.662 42.059 0.037 0.000 0.925 1156 L HN -0.132 nan 8.230 nan 0.000 0.446 1157 D N 0.432 120.811 120.400 -0.035 0.000 2.084 1157 D HA -0.161 4.480 4.640 0.001 0.000 0.196 1157 D C 2.072 178.353 176.300 -0.033 0.000 0.985 1157 D CA 1.616 55.598 54.000 -0.030 0.000 0.826 1157 D CB 0.034 40.802 40.800 -0.055 0.000 0.978 1157 D HN 0.125 nan 8.370 nan 0.000 0.456 1158 V N 0.390 120.209 119.914 -0.158 0.000 2.255 1158 V HA -0.244 3.877 4.120 0.001 0.000 0.247 1158 V C 2.573 178.627 176.094 -0.067 0.000 1.051 1158 V CA 2.117 64.330 62.300 -0.145 0.000 1.018 1158 V CB -0.611 31.065 31.823 -0.246 0.000 0.641 1158 V HN 0.205 nan 8.190 nan 0.000 0.445 1159 R N -0.682 119.783 120.500 -0.058 0.000 2.083 1159 R HA -0.233 4.108 4.340 0.001 0.000 0.237 1159 R C 2.224 178.506 176.300 -0.029 0.000 1.137 1159 R CA 2.222 58.289 56.100 -0.056 0.000 0.951 1159 R CB -0.509 29.762 30.300 -0.048 0.000 0.851 1159 R HN 0.453 nan 8.270 nan 0.000 0.434 1160 F N 1.303 121.213 119.950 -0.065 0.000 2.134 1160 F HA -0.161 4.367 4.527 0.003 0.000 0.299 1160 F C 1.976 177.758 175.800 -0.029 0.000 1.097 1160 F CA 1.776 59.756 58.000 -0.032 0.000 1.264 1160 F CB 0.012 38.999 39.000 -0.023 0.000 1.001 1160 F HN -0.028 nan 8.300 nan 0.000 0.479 1161 K N 0.065 120.549 120.400 0.141 0.000 2.063 1161 K HA -0.207 4.114 4.320 0.001 0.000 0.208 1161 K C 1.950 178.527 176.600 -0.038 0.000 1.048 1161 K CA 1.953 58.281 56.287 0.068 0.000 0.928 1161 K CB -0.234 32.296 32.500 0.049 0.000 0.713 1161 K HN 0.388 nan 8.250 nan 0.000 0.442 1162 E N 0.589 120.736 120.200 -0.089 0.000 2.106 1162 E HA -0.155 4.196 4.350 0.001 0.000 0.192 1162 E C 1.985 178.445 176.600 -0.233 0.000 0.984 1162 E CA 0.881 57.203 56.400 -0.131 0.000 0.806 1162 E CB -0.044 29.562 29.700 -0.155 0.000 0.750 1162 E HN 0.242 nan 8.360 nan 0.000 0.458 1163 L N 0.872 121.899 121.223 -0.327 0.000 2.141 1163 L HA -0.161 4.179 4.340 0.001 0.000 0.209 1163 L C 2.292 178.980 176.870 -0.303 0.000 1.094 1163 L CA 1.043 55.612 54.840 -0.451 0.000 0.763 1163 L CB -0.309 41.500 42.059 -0.417 0.000 0.908 1163 L HN 0.118 nan 8.230 nan 0.000 0.437 1164 E N -0.736 119.303 120.200 -0.269 0.000 2.106 1164 E HA -0.265 4.086 4.350 0.001 0.000 0.192 1164 E C 2.040 178.599 176.600 -0.068 0.000 0.984 1164 E CA 1.244 57.569 56.400 -0.126 0.000 0.806 1164 E CB -0.065 29.620 29.700 -0.025 0.000 0.750 1164 E HN 0.488 nan 8.360 nan 0.000 0.458 1165 H N 0.504 119.503 119.070 -0.119 0.000 2.357 1165 H HA -0.017 4.540 4.556 0.001 0.000 0.301 1165 H C 2.031 177.289 175.328 -0.116 0.000 1.082 1165 H CA 1.616 57.608 56.048 -0.094 0.000 1.342 1165 H CB -0.081 29.620 29.762 -0.101 0.000 1.389 1165 H HN 0.022 nan 8.280 nan 0.000 0.511 1166 M N -0.256 119.086 119.600 -0.430 0.000 2.108 1166 M HA -0.222 4.259 4.480 0.001 0.000 0.257 1166 M C 2.384 178.509 176.300 -0.291 0.000 1.071 1166 M CA 1.829 56.808 55.300 -0.535 0.000 1.093 1166 M CB -0.240 31.774 32.600 -0.976 0.000 1.345 1166 M HN 0.539 nan 8.290 nan 0.000 0.403 1167 A N -0.732 122.046 122.820 -0.070 0.000 2.066 1167 A HA 0.118 4.439 4.320 0.001 0.000 0.218 1167 A C 2.069 179.630 177.584 -0.038 0.000 1.157 1167 A CA 1.497 53.596 52.037 0.103 0.000 0.670 1167 A CB -0.542 18.538 19.000 0.132 0.000 0.804 1167 A HN 0.540 nan 8.150 nan 0.000 0.453 1168 A N -1.459 121.278 122.820 -0.138 0.000 2.195 1168 A HA 0.285 4.605 4.320 0.001 0.000 0.210 1168 A C 1.386 178.895 177.584 -0.125 0.000 1.165 1168 A CA 0.897 52.877 52.037 -0.096 0.000 0.806 1168 A CB -0.550 18.430 19.000 -0.033 0.000 0.847 1168 A HN 0.344 nan 8.150 nan 0.000 0.482 1169 T N 0.989 115.365 114.554 -0.297 0.000 2.856 1169 T HA 0.184 4.534 4.350 0.001 0.000 0.306 1169 T C 0.926 175.675 174.700 0.082 0.000 1.062 1169 T CA 0.702 62.703 62.100 -0.164 0.000 1.083 1169 T CB 0.169 68.888 68.868 -0.249 0.000 0.984 1169 T HN 0.597 nan 8.240 nan 0.000 0.542 1170 N N 1.803 120.547 118.700 0.072 0.000 2.197 1170 N HA 0.184 4.925 4.740 0.001 0.000 0.228 1170 N C -0.466 174.846 175.510 -0.330 0.000 1.212 1170 N CA -0.161 52.917 53.050 0.047 0.000 0.883 1170 N CB -0.051 38.434 38.487 -0.004 0.000 1.107 1170 N HN 0.485 nan 8.380 nan 0.000 0.519 1171 I N 1.735 122.213 120.570 -0.153 0.000 2.306 1171 I HA 0.417 4.588 4.170 0.001 0.000 0.288 1171 I C -1.167 174.909 176.117 -0.068 0.000 1.036 1171 I CA -0.985 60.183 61.300 -0.220 0.000 1.221 1171 I CB -0.001 37.965 38.000 -0.056 0.000 1.385 1171 I HN -0.023 nan 8.210 nan 0.000 0.472 1172 F N 2.622 122.580 119.950 0.013 0.000 2.665 1172 F HA 0.547 5.075 4.527 0.001 0.000 0.308 1172 F C -0.605 175.228 175.800 0.055 0.000 1.112 1172 F CA -1.086 56.933 58.000 0.032 0.000 0.972 1172 F CB 1.058 40.063 39.000 0.009 0.000 1.295 1172 F HN 0.260 nan 8.300 nan 0.000 0.440 1173 E N 1.570 121.943 120.200 0.287 0.000 2.313 1173 E HA 0.470 4.820 4.350 0.001 0.000 0.272 1173 E C -0.325 176.449 176.600 0.291 0.000 1.038 1173 E CA -0.596 55.939 56.400 0.224 0.000 0.863 1173 E CB 1.360 31.171 29.700 0.184 0.000 1.060 1173 E HN 0.756 nan 8.360 nan 0.000 0.402 1174 S N 1.990 117.830 115.700 0.234 0.000 2.572 1174 S HA -0.031 4.439 4.470 0.001 0.000 0.262 1174 S C -0.390 174.410 174.600 0.334 0.000 1.375 1174 S CA 0.032 58.380 58.200 0.246 0.000 0.996 1174 S CB 0.183 63.474 63.200 0.152 0.000 0.892 1174 S HN 0.438 nan 8.310 nan 0.000 0.562 1175 F N 1.080 121.122 119.950 0.152 0.000 2.500 1175 F HA 0.603 5.131 4.527 0.002 0.000 0.349 1175 F C -0.423 175.445 175.800 0.114 0.000 1.127 1175 F CA -1.414 56.689 58.000 0.172 0.000 0.998 1175 F CB 0.330 39.455 39.000 0.209 0.000 1.237 1175 F HN 0.546 nan 8.300 nan 0.000 0.439 1176 A N 7.909 130.503 122.820 -0.376 0.000 2.280 1176 A HA 0.598 4.919 4.320 0.001 0.000 0.320 1176 A C -1.970 175.190 177.584 -0.706 0.000 1.366 1176 A CA -1.275 50.476 52.037 -0.476 0.000 0.938 1176 A CB 0.193 19.071 19.000 -0.204 0.000 1.157 1176 A HN 0.668 nan 8.150 nan 0.000 0.536 1177 P HA 0.094 nan 4.420 nan 0.000 0.211 1177 P C 0.591 177.711 177.300 -0.301 0.000 1.179 1177 P CA 2.060 64.802 63.100 -0.597 0.000 0.910 1177 P CB 0.294 31.733 31.700 -0.436 0.000 0.785 1178 A N -3.328 119.347 122.820 -0.242 0.000 2.438 1178 A HA 0.618 4.939 4.320 0.001 0.000 0.301 1178 A C -1.107 176.397 177.584 -0.133 0.000 1.101 1178 A CA -0.113 51.822 52.037 -0.169 0.000 0.621 1178 A CB 0.594 19.512 19.000 -0.137 0.000 1.350 1178 A HN 0.461 nan 8.150 nan 0.000 0.496 1179 G N -1.890 106.851 108.800 -0.099 0.000 3.326 1179 G HA2 0.644 4.605 3.960 0.001 0.000 0.681 1179 G HA3 0.644 4.605 3.960 0.001 0.000 0.681 1179 G C 0.456 175.319 174.900 -0.063 0.000 1.255 1179 G CA 0.992 46.047 45.100 -0.075 0.000 0.976 1179 G HN 2.932 nan 8.290 nan 0.000 0.563 1180 G N 1.673 110.446 108.800 -0.046 0.000 1.701 1180 G HA2 0.263 4.224 3.960 0.001 0.000 0.057 1180 G HA3 0.263 4.224 3.960 0.001 0.000 0.057 1180 G C 1.014 175.897 174.900 -0.028 0.000 1.314 1180 G CA 1.033 46.110 45.100 -0.037 0.000 1.162 1180 G HN 1.804 nan 8.290 nan 0.000 0.358 1181 K N -0.469 119.913 120.400 -0.030 0.000 7.118 1181 K HA -0.236 4.085 4.320 0.001 0.000 0.461 1181 K C 1.106 177.698 176.600 -0.013 0.000 0.407 1181 K CA 2.316 58.590 56.287 -0.021 0.000 1.885 1181 K CB -1.720 30.771 32.500 -0.014 0.000 0.873 1181 K HN 2.624 nan 8.250 nan 0.000 0.809 1182 A N 2.028 124.841 122.820 -0.012 0.000 1.900 1182 A HA -0.185 4.136 4.320 0.001 0.000 0.251 1182 A C -0.198 177.383 177.584 -0.004 0.000 1.334 1182 A CA 1.242 53.274 52.037 -0.008 0.000 0.728 1182 A CB -1.363 17.631 19.000 -0.009 0.000 1.197 1182 A HN 0.508 nan 8.150 nan 0.000 0.278 1183 D N -0.195 120.204 120.400 -0.002 0.000 3.659 1183 D HA 0.385 5.025 4.640 0.001 0.000 0.218 1183 D C 0.938 177.238 176.300 -0.000 0.000 1.220 1183 D CA 2.840 56.840 54.000 0.001 0.000 0.803 1183 D CB -0.284 40.517 40.800 0.002 0.000 1.180 1183 D HN 1.904 nan 8.370 nan 0.000 0.610 1184 G N 1.078 109.879 108.800 0.000 0.000 2.359 1184 G HA2 0.441 4.402 3.960 0.001 0.000 0.314 1184 G HA3 0.441 4.402 3.960 0.001 0.000 0.314 1184 G C -1.074 173.827 174.900 0.001 0.000 1.364 1184 G CA -0.271 44.829 45.100 -0.000 0.000 0.978 1184 G HN 1.085 nan 8.290 nan 0.000 0.615 1185 S N -2.319 113.382 115.700 0.001 0.000 2.611 1185 S HA 0.887 5.358 4.470 0.001 0.000 0.268 1185 S C -1.557 173.045 174.600 0.004 0.000 1.156 1185 S CA -0.023 58.180 58.200 0.006 0.000 0.817 1185 S CB 1.785 64.991 63.200 0.009 0.000 1.122 1185 S HN 2.355 nan 8.310 nan 0.000 0.466 1186 V N 0.694 120.614 119.914 0.010 0.000 3.049 1186 V HA 0.643 4.763 4.120 0.001 0.000 0.309 1186 V C -1.610 174.487 176.094 0.006 0.000 1.148 1186 V CA -0.602 61.700 62.300 0.002 0.000 0.990 1186 V CB 2.044 33.871 31.823 0.005 0.000 1.039 1186 V HN 1.180 nan 8.190 nan 0.000 0.430 1187 D N 2.857 123.233 120.400 -0.039 0.000 2.304 1187 D HA 0.250 4.890 4.640 0.001 0.000 0.250 1187 D C 0.989 177.221 176.300 -0.114 0.000 1.107 1187 D CA -0.086 53.851 54.000 -0.106 0.000 0.885 1187 D CB 0.954 41.627 40.800 -0.211 0.000 1.192 1187 D HN 0.505 nan 8.370 nan 0.000 0.436 1188 F N 1.636 121.586 119.950 0.001 0.000 2.583 1188 F HA 0.173 4.701 4.527 0.001 0.000 0.297 1188 F C 1.545 177.351 175.800 0.009 0.000 1.131 1188 F CA 0.472 58.474 58.000 0.004 0.000 1.467 1188 F CB -0.384 38.617 39.000 0.003 0.000 1.097 1188 F HN 0.298 nan 8.300 nan 0.000 0.586 1189 G N -0.457 108.042 108.800 -0.502 0.000 2.921 1189 G HA2 -0.018 3.943 3.960 0.001 0.000 0.213 1189 G HA3 -0.018 3.943 3.960 0.001 0.000 0.213 1189 G C -0.080 174.739 174.900 -0.136 0.000 1.143 1189 G CA -0.215 44.713 45.100 -0.286 0.000 0.764 1189 G HN 0.251 nan 8.290 nan 0.000 0.542 1190 E N 1.182 121.304 120.200 -0.130 0.000 2.585 1190 E HA 0.339 4.690 4.350 0.001 0.000 0.252 1190 E C 1.318 177.899 176.600 -0.031 0.000 0.981 1190 E CA 0.485 56.841 56.400 -0.074 0.000 0.943 1190 E CB -0.158 29.506 29.700 -0.060 0.000 0.923 1190 E HN 0.466 nan 8.360 nan 0.000 0.486 1191 G N 3.146 111.928 108.800 -0.029 0.000 2.249 1191 G HA2 -0.215 3.746 3.960 0.001 0.000 0.273 1191 G HA3 -0.215 3.746 3.960 0.001 0.000 0.273 1191 G C 0.275 175.179 174.900 0.006 0.000 1.036 1191 G CA 0.271 45.363 45.100 -0.013 0.000 0.824 1191 G HN 0.835 nan 8.290 nan 0.000 0.504 1192 A N -0.899 121.930 122.820 0.014 0.000 2.327 1192 A HA 0.749 5.070 4.320 0.001 0.000 0.283 1192 A C 1.111 178.726 177.584 0.052 0.000 1.127 1192 A CA 0.599 52.670 52.037 0.057 0.000 0.810 1192 A CB 0.536 19.584 19.000 0.081 0.000 1.066 1192 A HN 0.328 nan 8.150 nan 0.000 0.492 1193 E N 0.735 120.995 120.200 0.100 0.000 2.106 1193 E HA 0.016 4.367 4.350 0.001 0.000 0.192 1193 E C -0.556 175.966 176.600 -0.130 0.000 0.984 1193 E CA 1.415 57.825 56.400 0.017 0.000 0.806 1193 E CB -0.099 29.679 29.700 0.129 0.000 0.750 1193 E HN 0.646 nan 8.360 nan 0.000 0.458 1194 F N -1.280 118.677 119.950 0.011 0.000 2.598 1194 F HA 0.331 4.858 4.527 0.001 0.000 0.327 1194 F C 0.038 175.848 175.800 0.016 0.000 1.057 1194 F CA -1.720 56.287 58.000 0.012 0.000 0.957 1194 F CB 0.780 39.788 39.000 0.014 0.000 1.278 1194 F HN -0.274 nan 8.300 nan 0.000 0.484 1195 c N 1.270 119.991 118.600 0.203 0.000 2.563 1195 c HA 0.210 4.781 4.570 0.001 0.000 0.411 1195 c C 1.608 175.781 174.090 0.139 0.000 1.386 1195 c CA 0.284 56.686 56.329 0.122 0.000 1.703 1195 c CB -0.727 41.840 42.510 0.095 0.000 2.596 1195 c HN 0.938 nan 8.230 nan 0.000 0.605 1196 T N -0.238 114.387 114.554 0.119 0.000 3.054 1196 T HA 0.210 4.561 4.350 0.001 0.000 0.255 1196 T C 0.447 175.274 174.700 0.211 0.000 1.035 1196 T CA 0.028 62.242 62.100 0.189 0.000 0.941 1196 T CB 0.218 69.231 68.868 0.242 0.000 1.026 1196 T HN 0.737 nan 8.240 nan 0.000 0.533 1197 R N 1.614 122.188 120.500 0.123 0.000 2.837 1197 R HA 0.554 4.895 4.340 0.001 0.000 0.271 1197 R C -1.093 175.249 176.300 0.070 0.000 0.993 1197 R CA -0.864 55.300 56.100 0.108 0.000 0.931 1197 R CB 1.353 31.696 30.300 0.072 0.000 1.206 1197 R HN 0.315 nan 8.270 nan 0.000 0.474 1198 D N -0.745 119.689 120.400 0.058 0.000 2.511 1198 D HA 0.064 4.704 4.640 0.001 0.000 0.276 1198 D C -0.030 176.288 176.300 0.030 0.000 1.220 1198 D CA -0.451 53.574 54.000 0.041 0.000 1.077 1198 D CB 0.495 41.315 40.800 0.033 0.000 1.126 1198 D HN 0.302 nan 8.370 nan 0.000 0.583 1199 D N -1.134 119.280 120.400 0.023 0.000 2.328 1199 D HA 0.043 4.684 4.640 0.001 0.000 0.226 1199 D C 0.045 176.354 176.300 0.014 0.000 1.066 1199 D CA 0.281 54.292 54.000 0.017 0.000 0.861 1199 D CB -0.189 40.621 40.800 0.016 0.000 0.912 1199 D HN 0.281 nan 8.370 nan 0.000 0.521 1200 T N 2.016 116.579 114.554 0.015 0.000 2.898 1200 T HA 0.103 4.453 4.350 0.001 0.000 0.301 1200 T C -1.279 173.425 174.700 0.007 0.000 1.049 1200 T CA -1.013 61.093 62.100 0.011 0.000 1.095 1200 T CB 1.719 70.595 68.868 0.012 0.000 0.976 1200 T HN 0.009 nan 8.240 nan 0.000 0.539 1201 P HA 0.089 nan 4.420 nan 0.000 0.236 1201 P C 1.196 178.494 177.300 -0.004 0.000 1.177 1201 P CA 0.635 63.733 63.100 -0.003 0.000 0.773 1201 P CB 0.114 31.809 31.700 -0.008 0.000 0.878 1202 M N -1.258 118.342 119.600 -0.001 0.000 2.200 1202 M HA 0.039 4.520 4.480 0.001 0.000 0.265 1202 M C 2.172 178.479 176.300 0.012 0.000 1.066 1202 M CA 1.644 56.944 55.300 0.000 0.000 1.127 1202 M CB -0.498 32.102 32.600 -0.001 0.000 1.379 1202 M HN -0.164 nan 8.290 nan 0.000 0.420 1203 M N -0.326 119.286 119.600 0.020 0.000 2.502 1203 M HA 0.204 4.685 4.480 0.001 0.000 0.243 1203 M C 0.588 176.902 176.300 0.023 0.000 1.130 1203 M CA -0.273 55.048 55.300 0.035 0.000 1.055 1203 M CB -0.125 32.505 32.600 0.050 0.000 1.457 1203 M HN 0.117 nan 8.290 nan 0.000 0.488 1204 A N 2.210 125.037 122.820 0.011 0.000 2.546 1204 A HA 0.294 4.615 4.320 0.001 0.000 0.243 1204 A C 0.201 177.785 177.584 -0.000 0.000 1.063 1204 A CA 0.429 52.467 52.037 0.003 0.000 0.757 1204 A CB 0.238 19.238 19.000 -0.002 0.000 0.991 1204 A HN 0.333 nan 8.150 nan 0.000 0.503 1205 R N 1.760 122.256 120.500 -0.007 0.000 2.799 1205 R HA 0.370 4.711 4.340 0.001 0.000 0.270 1205 R C -2.319 173.971 176.300 -0.016 0.000 1.010 1205 R CA -1.869 54.224 56.100 -0.011 0.000 0.916 1205 R CB 0.399 30.689 30.300 -0.016 0.000 1.228 1205 R HN 0.366 nan 8.270 nan 0.000 0.469 1206 P HA -0.145 nan 4.420 nan 0.000 0.216 1206 P C 0.050 177.337 177.300 -0.022 0.000 1.157 1206 P CA 1.417 64.507 63.100 -0.018 0.000 0.880 1206 P CB 0.288 31.978 31.700 -0.017 0.000 0.791 1207 D N -1.316 119.066 120.400 -0.029 0.000 2.336 1207 D HA 0.051 4.692 4.640 0.001 0.000 0.228 1207 D C 0.529 176.805 176.300 -0.040 0.000 1.120 1207 D CA 0.306 54.285 54.000 -0.035 0.000 0.839 1207 D CB -0.155 40.620 40.800 -0.042 0.000 0.932 1207 D HN 0.256 nan 8.370 nan 0.000 0.509 1208 S N -1.575 114.105 115.700 -0.034 0.000 2.687 1208 S HA 0.637 5.107 4.470 0.001 0.000 0.283 1208 S C 1.160 175.746 174.600 -0.024 0.000 1.170 1208 S CA 0.125 58.305 58.200 -0.033 0.000 1.008 1208 S CB 2.535 65.719 63.200 -0.027 0.000 1.026 1208 S HN 0.184 nan 8.310 nan 0.000 0.541 1209 G N -0.094 108.694 108.800 -0.021 0.000 2.367 1209 G HA2 -0.166 3.794 3.960 0.001 0.000 0.181 1209 G HA3 -0.166 3.794 3.960 0.001 0.000 0.181 1209 G C -0.182 174.708 174.900 -0.017 0.000 1.000 1209 G CA -0.075 45.016 45.100 -0.015 0.000 0.693 1209 G HN 0.996 nan 8.290 nan 0.000 0.480 1210 E N 1.349 121.536 120.200 -0.022 0.000 2.360 1210 E HA 0.591 4.942 4.350 0.001 0.000 0.269 1210 E C 1.030 177.617 176.600 -0.022 0.000 1.022 1210 E CA 0.052 56.438 56.400 -0.024 0.000 0.887 1210 E CB 0.745 30.427 29.700 -0.030 0.000 0.990 1210 E HN 0.789 nan 8.360 nan 0.000 0.426 1211 A N 3.386 126.193 122.820 -0.022 0.000 2.555 1211 A HA 0.284 4.605 4.320 0.001 0.000 0.233 1211 A C -0.012 177.555 177.584 -0.028 0.000 1.060 1211 A CA 0.223 52.247 52.037 -0.021 0.000 0.759 1211 A CB -0.504 18.482 19.000 -0.023 0.000 0.995 1211 A HN 0.861 nan 8.150 nan 0.000 0.506 1212 c N -0.135 118.449 118.600 -0.026 0.000 3.306 1212 c HA 0.628 5.199 4.570 0.001 0.000 0.335 1212 c C -0.792 173.278 174.090 -0.033 0.000 1.382 1212 c CA -1.010 55.296 56.329 -0.038 0.000 1.254 1212 c CB 1.082 43.583 42.510 -0.014 0.000 1.555 1212 c HN 0.842 nan 8.230 nan 0.000 0.463 1213 D N 0.847 121.201 120.400 -0.077 0.000 2.336 1213 D HA 0.126 4.767 4.640 0.001 0.000 0.249 1213 D C 0.335 176.719 176.300 0.140 0.000 1.213 1213 D CA 0.687 54.658 54.000 -0.049 0.000 0.870 1213 D CB 1.149 41.742 40.800 -0.344 0.000 1.076 1213 D HN 0.738 nan 8.370 nan 0.000 0.483 1214 Q N 3.259 123.133 119.800 0.124 0.000 2.282 1214 Q HA 0.033 4.374 4.340 0.001 0.000 0.205 1214 Q C -0.132 175.957 176.000 0.149 0.000 0.915 1214 Q CA -0.094 55.786 55.803 0.129 0.000 0.949 1214 Q CB -0.134 28.647 28.738 0.071 0.000 1.035 1214 Q HN 0.500 nan 8.270 nan 0.000 0.484 1215 N N 0.330 119.181 118.700 0.251 0.000 2.741 1215 N HA -0.224 4.517 4.740 0.001 0.000 0.250 1215 N C -0.107 175.459 175.510 0.093 0.000 1.115 1215 N CA 0.916 54.069 53.050 0.172 0.000 0.724 1215 N CB -0.555 37.952 38.487 0.033 0.000 1.090 1215 N HN 0.447 nan 8.380 nan 0.000 0.558 1216 R N -0.241 120.314 120.500 0.092 0.000 2.334 1216 R HA 0.247 4.587 4.340 0.001 0.000 0.216 1216 R C 1.588 177.920 176.300 0.054 0.000 0.905 1216 R CA 0.820 56.953 56.100 0.056 0.000 1.064 1216 R CB 0.442 30.768 30.300 0.044 0.000 1.046 1216 R HN 0.240 nan 8.270 nan 0.000 0.508 1217 A N 0.341 123.208 122.820 0.079 0.000 2.431 1217 A HA 0.453 4.774 4.320 0.001 0.000 0.239 1217 A C 0.668 178.298 177.584 0.076 0.000 1.230 1217 A CA 0.339 52.416 52.037 0.068 0.000 0.928 1217 A CB 0.584 19.623 19.000 0.065 0.000 1.006 1217 A HN 0.327 nan 8.150 nan 0.000 0.520 1218 G N -1.148 107.703 108.800 0.084 0.000 2.631 1218 G HA2 0.012 3.973 3.960 0.001 0.000 0.504 1218 G HA3 0.012 3.973 3.960 0.001 0.000 0.504 1218 G C -0.088 174.873 174.900 0.102 0.000 1.306 1218 G CA -0.490 44.648 45.100 0.064 0.000 0.897 1218 G HN 0.566 nan 8.290 nan 0.000 0.520 1219 T N 0.351 114.938 114.554 0.055 0.000 2.734 1219 T HA 0.384 4.734 4.350 0.001 0.000 0.314 1219 T C 2.027 176.835 174.700 0.179 0.000 1.057 1219 T CA 0.644 62.783 62.100 0.066 0.000 1.047 1219 T CB 0.864 69.742 68.868 0.016 0.000 0.991 1219 T HN 0.849 nan 8.240 nan 0.000 0.540 1220 S N 0.492 116.342 115.700 0.250 0.000 2.348 1220 S HA -0.136 4.334 4.470 0.001 0.000 0.221 1220 S C 2.050 176.715 174.600 0.108 0.000 1.033 1220 S CA 1.394 59.727 58.200 0.222 0.000 1.010 1220 S CB -0.322 63.008 63.200 0.217 0.000 0.891 1220 S HN 0.827 nan 8.310 nan 0.000 0.442 1221 E N 1.022 121.270 120.200 0.080 0.000 2.058 1221 E HA -0.242 4.109 4.350 0.001 0.000 0.194 1221 E C 2.087 178.712 176.600 0.040 0.000 0.997 1221 E CA 1.252 57.681 56.400 0.047 0.000 0.801 1221 E CB -0.126 29.594 29.700 0.033 0.000 0.746 1221 E HN 0.561 nan 8.360 nan 0.000 0.450 1222 Q N -0.106 119.720 119.800 0.043 0.000 2.119 1222 Q HA -0.179 4.161 4.340 0.001 0.000 0.201 1222 Q C 2.327 178.350 176.000 0.038 0.000 0.972 1222 Q CA 1.424 57.248 55.803 0.034 0.000 0.847 1222 Q CB -0.012 28.745 28.738 0.031 0.000 0.903 1222 Q HN 0.397 nan 8.270 nan 0.000 0.433 1223 Q N -0.294 119.539 119.800 0.055 0.000 2.046 1223 Q HA -0.116 4.224 4.340 0.001 0.000 0.200 1223 Q C 2.248 178.265 176.000 0.029 0.000 0.975 1223 Q CA 1.260 57.091 55.803 0.046 0.000 0.836 1223 Q CB -0.293 28.481 28.738 0.060 0.000 0.896 1223 Q HN 0.503 nan 8.270 nan 0.000 0.428 1224 G N 0.872 109.690 108.800 0.030 0.000 2.442 1224 G HA2 -0.333 3.627 3.960 0.001 0.000 0.219 1224 G HA3 -0.333 3.627 3.960 0.001 0.000 0.219 1224 G C 0.944 175.853 174.900 0.015 0.000 1.141 1224 G CA 1.342 46.454 45.100 0.019 0.000 0.763 1224 G HN 0.367 nan 8.290 nan 0.000 0.554 1225 D N -0.343 120.067 120.400 0.017 0.000 2.144 1225 D HA -0.080 4.561 4.640 0.001 0.000 0.200 1225 D C 2.286 178.593 176.300 0.011 0.000 0.978 1225 D CA 0.502 54.510 54.000 0.013 0.000 0.833 1225 D CB -0.194 40.614 40.800 0.013 0.000 0.961 1225 D HN 0.158 nan 8.370 nan 0.000 0.470 1226 L N -0.066 121.165 121.223 0.013 0.000 2.131 1226 L HA -0.042 4.299 4.340 0.001 0.000 0.210 1226 L C 2.136 179.011 176.870 0.008 0.000 1.092 1226 L CA 1.570 56.417 54.840 0.011 0.000 0.759 1226 L CB -1.017 41.050 42.059 0.014 0.000 0.903 1226 L HN 0.028 nan 8.230 nan 0.000 0.435 1227 S N -0.499 115.206 115.700 0.008 0.000 2.338 1227 S HA -0.257 4.214 4.470 0.001 0.000 0.218 1227 S C 2.196 176.798 174.600 0.004 0.000 1.032 1227 S CA 1.615 59.817 58.200 0.005 0.000 0.999 1227 S CB -0.399 62.803 63.200 0.003 0.000 0.905 1227 S HN 0.585 nan 8.310 nan 0.000 0.439 1228 K N 0.567 120.969 120.400 0.004 0.000 2.044 1228 K HA -0.145 4.176 4.320 0.001 0.000 0.210 1228 K C 2.225 178.827 176.600 0.003 0.000 1.049 1228 K CA 1.517 57.806 56.287 0.004 0.000 0.927 1228 K CB -0.265 32.238 32.500 0.004 0.000 0.713 1228 K HN 0.341 nan 8.250 nan 0.000 0.443 1229 R N -0.146 120.357 120.500 0.004 0.000 2.235 1229 R HA -0.040 4.300 4.340 0.001 0.000 0.213 1229 R C 1.264 177.566 176.300 0.003 0.000 1.059 1229 R CA 1.488 57.590 56.100 0.004 0.000 0.997 1229 R CB -0.004 30.299 30.300 0.005 0.000 0.884 1229 R HN 0.392 nan 8.270 nan 0.000 0.462 1230 T N -1.905 112.651 114.554 0.003 0.000 3.266 1230 T HA 0.155 4.506 4.350 0.001 0.000 0.278 1230 T C 1.130 175.831 174.700 0.001 0.000 1.010 1230 T CA -0.659 61.443 62.100 0.002 0.000 0.909 1230 T CB 0.336 69.205 68.868 0.003 0.000 1.122 1230 T HN 0.194 nan 8.240 nan 0.000 0.536 1231 K N 1.460 121.861 120.400 0.001 0.000 2.090 1231 K HA -0.257 4.064 4.320 0.001 0.000 0.218 1231 K C 0.462 177.062 176.600 -0.000 0.000 1.055 1231 K CA 1.079 57.366 56.287 0.000 0.000 0.941 1231 K CB -0.644 31.856 32.500 0.000 0.000 0.722 1231 K HN 0.229 nan 8.250 nan 0.000 0.458 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543