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 2pda_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 2 G C 0.000 174.918 174.900 0.030 0.000 0.946 2 G CA 0.000 45.117 45.100 0.028 0.000 0.502 3 K N 0.394 120.805 120.400 0.019 0.000 2.440 3 K HA 0.441 4.760 4.320 -0.001 0.000 0.270 3 K C -0.194 176.396 176.600 -0.016 0.000 0.980 3 K CA 0.409 56.698 56.287 0.002 0.000 0.953 3 K CB 0.732 33.229 32.500 -0.004 0.000 0.925 3 K HN 0.505 nan 8.250 nan 0.000 0.497 4 K N 2.464 122.840 120.400 -0.040 0.000 2.553 4 K HA 0.200 4.519 4.320 -0.001 0.000 0.250 4 K C -0.979 175.573 176.600 -0.079 0.000 0.953 4 K CA -0.588 55.665 56.287 -0.057 0.000 0.800 4 K CB 0.984 33.447 32.500 -0.061 0.000 1.243 4 K HN 0.374 nan 8.250 nan 0.000 0.435 5 M N 3.700 123.261 119.600 -0.066 0.000 2.242 5 M HA 0.365 4.844 4.480 -0.001 0.000 0.344 5 M C -0.266 175.990 176.300 -0.072 0.000 1.140 5 M CA 0.317 55.579 55.300 -0.064 0.000 1.160 5 M CB 0.843 33.411 32.600 -0.053 0.000 1.491 5 M HN 0.836 nan 8.290 nan 0.000 0.459 6 M N 1.430 120.991 119.600 -0.065 0.000 2.449 6 M HA 0.196 4.676 4.480 -0.001 0.000 0.291 6 M C -1.135 175.148 176.300 -0.029 0.000 1.148 6 M CA -0.309 54.953 55.300 -0.063 0.000 0.925 6 M CB 2.348 34.879 32.600 -0.116 0.000 1.767 6 M HN 0.761 nan 8.290 nan 0.000 0.503 7 T N 1.461 116.012 114.554 -0.005 0.000 2.963 7 T HA 0.782 5.131 4.350 -0.001 0.000 0.343 7 T C -0.587 174.132 174.700 0.032 0.000 1.146 7 T CA 0.125 62.239 62.100 0.023 0.000 1.016 7 T CB 0.398 69.292 68.868 0.042 0.000 1.046 7 T HN 0.852 nan 8.240 nan 0.000 0.496 8 T N 0.770 115.345 114.554 0.035 0.000 2.681 8 T HA 0.645 4.995 4.350 -0.001 0.000 0.296 8 T C -0.871 173.865 174.700 0.060 0.000 1.157 8 T CA -0.791 61.337 62.100 0.047 0.000 1.025 8 T CB 1.252 70.142 68.868 0.036 0.000 1.441 8 T HN 0.587 nan 8.240 nan 0.000 0.504 9 D N -0.550 119.886 120.400 0.060 0.000 2.451 9 D HA 0.436 5.076 4.640 -0.001 0.000 0.259 9 D C 1.639 177.974 176.300 0.059 0.000 1.201 9 D CA -0.080 53.963 54.000 0.073 0.000 1.028 9 D CB -0.157 40.668 40.800 0.041 0.000 1.095 9 D HN 0.790 nan 8.370 nan 0.000 0.539 10 G N -0.878 107.971 108.800 0.081 0.000 2.421 10 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 10 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 10 G C 1.309 176.178 174.900 -0.052 0.000 1.143 10 G CA 0.407 45.498 45.100 -0.014 0.000 0.784 10 G HN 0.610 nan 8.290 nan 0.000 0.541 11 N N 0.063 118.837 118.700 0.123 0.000 2.028 11 N HA -0.159 4.581 4.740 -0.001 0.000 0.194 11 N C 2.582 178.134 175.510 0.071 0.000 1.050 11 N CA 1.975 55.120 53.050 0.158 0.000 0.848 11 N CB -0.192 38.308 38.487 0.023 0.000 1.038 11 N HN 0.391 nan 8.380 nan 0.000 0.423 12 T N -1.107 113.472 114.554 0.043 0.000 2.915 12 T HA 0.043 4.392 4.350 -0.001 0.000 0.269 12 T C 1.867 176.685 174.700 0.197 0.000 1.071 12 T CA 0.969 63.139 62.100 0.116 0.000 1.132 12 T CB -0.274 68.666 68.868 0.120 0.000 0.878 12 T HN 0.209 nan 8.240 nan 0.000 0.479 13 A N 1.692 124.582 122.820 0.117 0.000 1.908 13 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 13 A C 2.758 180.464 177.584 0.203 0.000 1.181 13 A CA 2.513 54.635 52.037 0.141 0.000 0.627 13 A CB -1.517 17.526 19.000 0.072 0.000 0.818 13 A HN 0.717 nan 8.150 nan 0.000 0.445 14 T N -2.401 112.220 114.554 0.112 0.000 2.978 14 T HA 0.231 4.581 4.350 -0.001 0.000 0.262 14 T C 1.862 176.675 174.700 0.188 0.000 1.063 14 T CA 1.441 63.632 62.100 0.151 0.000 1.140 14 T CB -0.387 68.596 68.868 0.190 0.000 0.886 14 T HN 0.535 nan 8.240 nan 0.000 0.470 15 A N 0.702 123.647 122.820 0.209 0.000 2.121 15 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 15 A C 2.207 180.141 177.584 0.582 0.000 1.154 15 A CA 1.469 53.645 52.037 0.231 0.000 0.679 15 A CB -1.190 17.757 19.000 -0.089 0.000 0.795 15 A HN 0.834 nan 8.150 nan 0.000 0.458 16 H N -0.102 119.255 119.070 0.479 0.000 2.256 16 H HA -0.114 4.441 4.556 -0.001 0.000 0.299 16 H C 1.960 177.480 175.328 0.320 0.000 1.071 16 H CA 2.175 58.497 56.048 0.456 0.000 1.280 16 H CB 0.018 29.977 29.762 0.328 0.000 1.370 16 H HN 0.235 nan 8.280 nan 0.000 0.490 17 V N 1.423 121.424 119.914 0.145 0.000 2.392 17 V HA -0.263 3.856 4.120 -0.001 0.000 0.249 17 V C 3.001 178.968 176.094 -0.212 0.000 1.059 17 V CA 1.561 63.779 62.300 -0.137 0.000 1.051 17 V CB -1.146 30.596 31.823 -0.135 0.000 0.658 17 V HN 0.594 nan 8.190 nan 0.000 0.455 18 A N -0.894 121.915 122.820 -0.019 0.000 1.873 18 A HA -0.239 4.080 4.320 -0.001 0.000 0.215 18 A C 2.177 179.794 177.584 0.055 0.000 1.186 18 A CA 1.848 53.888 52.037 0.006 0.000 0.616 18 A CB -0.790 18.326 19.000 0.193 0.000 0.823 18 A HN 0.568 nan 8.150 nan 0.000 0.442 19 Y N 0.818 121.213 120.300 0.157 0.000 2.165 19 Y HA -0.162 4.388 4.550 -0.001 0.000 0.286 19 Y C 2.675 178.540 175.900 -0.058 0.000 1.155 19 Y CA 1.086 59.314 58.100 0.214 0.000 1.164 19 Y CB -0.594 38.189 38.460 0.538 0.000 0.978 19 Y HN 0.317 nan 8.280 nan 0.000 0.513 20 A N -0.221 122.468 122.820 -0.218 0.000 1.902 20 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 20 A C 1.912 179.212 177.584 -0.473 0.000 1.181 20 A CA 1.979 53.507 52.037 -0.849 0.000 0.623 20 A CB -0.508 17.413 19.000 -1.797 0.000 0.818 20 A HN 0.424 nan 8.150 nan 0.000 0.443 21 M N 0.227 119.546 119.600 -0.467 0.000 2.505 21 M HA 0.237 4.716 4.480 -0.001 0.000 0.230 21 M C -0.251 175.966 176.300 -0.138 0.000 1.153 21 M CA 0.292 55.349 55.300 -0.404 0.000 0.997 21 M CB -0.679 31.426 32.600 -0.826 0.000 1.606 21 M HN 0.151 nan 8.290 nan 0.000 0.481 22 S N -0.018 115.649 115.700 -0.055 0.000 2.536 22 S HA 0.417 4.887 4.470 -0.001 0.000 0.298 22 S C 0.640 175.274 174.600 0.056 0.000 1.083 22 S CA -0.689 57.539 58.200 0.046 0.000 0.995 22 S CB 2.508 65.727 63.200 0.032 0.000 1.058 22 S HN 0.264 nan 8.310 nan 0.000 0.488 23 E N 0.358 120.591 120.200 0.056 0.000 2.447 23 E HA 0.272 4.621 4.350 -0.001 0.000 0.204 23 E C -0.535 176.060 176.600 -0.007 0.000 0.977 23 E CA 0.237 56.637 56.400 -0.001 0.000 0.950 23 E CB 0.812 30.463 29.700 -0.083 0.000 0.975 23 E HN 0.248 nan 8.360 nan 0.000 0.496 24 V N 0.457 120.379 119.914 0.015 0.000 3.048 24 V HA 0.638 4.758 4.120 -0.001 0.000 0.303 24 V C -1.584 174.527 176.094 0.028 0.000 1.214 24 V CA -0.954 61.358 62.300 0.020 0.000 0.984 24 V CB 2.073 33.917 31.823 0.034 0.000 1.054 24 V HN 0.066 nan 8.190 nan 0.000 0.430 25 A N 2.697 125.534 122.820 0.029 0.000 2.402 25 A HA 0.938 5.258 4.320 -0.001 0.000 0.291 25 A C -0.507 177.092 177.584 0.024 0.000 1.051 25 A CA -0.031 52.027 52.037 0.034 0.000 0.716 25 A CB 1.567 20.627 19.000 0.100 0.000 1.223 25 A HN 1.601 nan 8.150 nan 0.000 0.425 26 A N 2.689 125.509 122.820 0.001 0.000 2.276 26 A HA 0.824 5.143 4.320 -0.001 0.000 0.316 26 A C -0.483 177.087 177.584 -0.024 0.000 1.229 26 A CA -0.240 51.790 52.037 -0.011 0.000 0.851 26 A CB 0.258 19.259 19.000 0.001 0.000 1.165 26 A HN 0.851 nan 8.150 nan 0.000 0.513 27 I N 0.565 121.109 120.570 -0.043 0.000 3.239 27 I HA 0.666 4.836 4.170 -0.001 0.000 0.314 27 I C -1.467 174.668 176.117 0.030 0.000 1.126 27 I CA -0.707 60.577 61.300 -0.027 0.000 0.973 27 I CB 2.565 40.515 38.000 -0.083 0.000 1.252 27 I HN 0.682 nan 8.210 nan 0.000 0.463 28 Y N 3.944 124.196 120.300 -0.081 0.000 2.357 28 Y HA 0.304 4.854 4.550 -0.001 0.000 0.319 28 Y C -2.644 173.309 175.900 0.089 0.000 1.225 28 Y CA -1.511 56.588 58.100 -0.002 0.000 1.095 28 Y CB 1.626 40.114 38.460 0.046 0.000 1.302 28 Y HN 0.214 nan 8.280 nan 0.000 0.429 29 P HA 0.338 nan 4.420 nan 0.000 0.271 29 P C -0.812 176.464 177.300 -0.040 0.000 1.233 29 P CA 0.374 63.438 63.100 -0.060 0.000 0.764 29 P CB 1.390 33.096 31.700 0.011 0.000 0.825 30 I N 2.335 122.919 120.570 0.025 0.000 2.571 30 I HA 0.156 4.326 4.170 -0.001 0.000 0.286 30 I C -0.421 175.681 176.117 -0.025 0.000 1.134 30 I CA -0.415 60.896 61.300 0.018 0.000 1.052 30 I CB 2.031 40.084 38.000 0.088 0.000 1.237 30 I HN 0.149 nan 8.210 nan 0.000 0.435 31 T N 8.704 123.223 114.554 -0.060 0.000 2.940 31 T HA 0.157 4.507 4.350 -0.001 0.000 0.309 31 T C -2.028 172.600 174.700 -0.119 0.000 1.056 31 T CA -0.513 61.530 62.100 -0.095 0.000 1.137 31 T CB 0.556 69.380 68.868 -0.073 0.000 0.976 31 T HN 0.483 nan 8.240 nan 0.000 0.547 32 P HA 0.118 nan 4.420 nan 0.000 0.261 32 P C 1.075 178.270 177.300 -0.174 0.000 1.268 32 P CA -0.013 62.813 63.100 -0.457 0.000 0.833 32 P CB 0.066 31.060 31.700 -1.177 0.000 1.231 33 S N -1.869 113.766 115.700 -0.109 0.000 2.603 33 S HA 0.023 4.492 4.470 -0.001 0.000 0.220 33 S C 1.639 176.225 174.600 -0.024 0.000 0.967 33 S CA 0.280 58.457 58.200 -0.038 0.000 0.920 33 S CB -1.132 62.074 63.200 0.009 0.000 0.773 33 S HN -0.038 nan 8.310 nan 0.000 0.529 34 S N 2.316 117.996 115.700 -0.034 0.000 2.374 34 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 34 S C 1.961 176.510 174.600 -0.085 0.000 1.037 34 S CA 1.939 60.124 58.200 -0.025 0.000 1.024 34 S CB -1.135 62.051 63.200 -0.024 0.000 0.861 34 S HN 0.756 nan 8.310 nan 0.000 0.456 35 T N 3.284 117.758 114.554 -0.133 0.000 2.544 35 T HA -0.234 4.115 4.350 -0.001 0.000 0.264 35 T C 1.824 176.335 174.700 -0.315 0.000 1.096 35 T CA 1.852 63.825 62.100 -0.211 0.000 1.181 35 T CB -0.649 68.089 68.868 -0.216 0.000 0.864 35 T HN 0.329 nan 8.240 nan 0.000 0.415 36 M N 0.726 120.104 119.600 -0.370 0.000 2.345 36 M HA -0.245 4.234 4.480 -0.001 0.000 0.253 36 M C 2.685 178.426 176.300 -0.931 0.000 1.068 36 M CA 2.277 57.153 55.300 -0.707 0.000 1.069 36 M CB -1.280 30.791 32.600 -0.881 0.000 1.292 36 M HN 0.515 nan 8.290 nan 0.000 0.430 37 G N -0.333 108.066 108.800 -0.668 0.000 2.422 37 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.218 37 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.218 37 G C 1.265 176.171 174.900 0.009 0.000 1.146 37 G CA 1.010 46.000 45.100 -0.183 0.000 0.769 37 G HN 0.622 nan 8.290 nan 0.000 0.547 38 E N 0.485 120.577 120.200 -0.179 0.000 2.107 38 E HA -0.069 4.281 4.350 -0.001 0.000 0.191 38 E C 2.332 178.657 176.600 -0.458 0.000 0.982 38 E CA 0.913 57.053 56.400 -0.433 0.000 0.809 38 E CB -0.100 29.340 29.700 -0.434 0.000 0.756 38 E HN 0.560 nan 8.360 nan 0.000 0.459 39 E N 1.091 120.946 120.200 -0.575 0.000 2.072 39 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 39 E C 2.207 178.163 176.600 -1.074 0.000 0.982 39 E CA 0.735 56.544 56.400 -0.984 0.000 0.803 39 E CB -0.128 28.856 29.700 -1.194 0.000 0.755 39 E HN 0.208 nan 8.360 nan 0.000 0.453 40 A N 1.659 124.127 122.820 -0.586 0.000 1.948 40 A HA -0.280 4.039 4.320 -0.001 0.000 0.220 40 A C 1.861 179.567 177.584 0.203 0.000 1.177 40 A CA 2.135 54.179 52.037 0.012 0.000 0.636 40 A CB -0.477 18.590 19.000 0.112 0.000 0.815 40 A HN 0.213 nan 8.150 nan 0.000 0.449 41 D N -0.897 119.525 120.400 0.037 0.000 2.162 41 D HA -0.082 4.557 4.640 -0.001 0.000 0.203 41 D C 1.278 177.607 176.300 0.049 0.000 0.967 41 D CA 1.153 55.215 54.000 0.102 0.000 0.840 41 D CB -0.067 40.782 40.800 0.082 0.000 0.972 41 D HN 0.323 nan 8.370 nan 0.000 0.482 42 D N -0.475 119.872 120.400 -0.088 0.000 2.117 42 D HA -0.118 4.522 4.640 -0.001 0.000 0.198 42 D C 1.789 178.207 176.300 0.196 0.000 0.982 42 D CA 0.585 54.580 54.000 -0.007 0.000 0.828 42 D CB -0.347 40.403 40.800 -0.084 0.000 0.967 42 D HN 0.391 nan 8.370 nan 0.000 0.464 43 W N 1.705 123.021 121.300 0.027 0.000 2.335 43 W HA -0.002 4.658 4.660 -0.001 0.000 0.311 43 W C 2.597 179.147 176.519 0.051 0.000 1.213 43 W CA 0.699 58.015 57.345 -0.049 0.000 1.274 43 W CB -1.423 27.901 29.460 -0.226 0.000 1.148 43 W HN -0.037 nan 8.180 nan 0.000 0.498 44 A N 0.517 123.668 122.820 0.552 0.000 1.908 44 A HA -0.036 4.284 4.320 -0.001 0.000 0.218 44 A C 2.193 179.942 177.584 0.275 0.000 1.181 44 A CA 2.731 55.060 52.037 0.486 0.000 0.627 44 A CB -1.156 18.105 19.000 0.435 0.000 0.818 44 A HN 0.156 nan 8.150 nan 0.000 0.445 45 A N -1.029 121.920 122.820 0.215 0.000 2.172 45 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 45 A C 1.700 179.373 177.584 0.148 0.000 1.154 45 A CA 1.269 53.397 52.037 0.153 0.000 0.701 45 A CB -0.341 18.723 19.000 0.107 0.000 0.789 45 A HN 0.679 nan 8.150 nan 0.000 0.465 46 Q N -1.478 118.412 119.800 0.151 0.000 2.189 46 Q HA 0.355 4.694 4.340 -0.001 0.000 0.221 46 Q C 0.990 177.034 176.000 0.073 0.000 0.848 46 Q CA 0.196 56.061 55.803 0.103 0.000 1.007 46 Q CB 0.342 29.133 28.738 0.088 0.000 1.116 46 Q HN 0.723 nan 8.270 nan 0.000 0.481 47 G N 1.940 110.802 108.800 0.104 0.000 2.189 47 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.267 47 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.267 47 G C 0.333 175.282 174.900 0.081 0.000 0.975 47 G CA 0.330 45.484 45.100 0.092 0.000 0.644 47 G HN 0.398 nan 8.290 nan 0.000 0.537 48 R N 0.651 121.177 120.500 0.044 0.000 2.523 48 R HA 0.258 4.597 4.340 -0.001 0.000 0.281 48 R C 0.127 176.505 176.300 0.130 0.000 0.969 48 R CA 0.472 56.541 56.100 -0.053 0.000 1.093 48 R CB 0.325 30.432 30.300 -0.322 0.000 0.917 48 R HN 0.040 nan 8.270 nan 0.000 0.408 49 K N 3.250 123.721 120.400 0.118 0.000 2.138 49 K HA 0.164 4.484 4.320 -0.001 0.000 0.263 49 K C -0.122 176.722 176.600 0.406 0.000 0.965 49 K CA -0.854 55.585 56.287 0.254 0.000 0.868 49 K CB 1.288 33.881 32.500 0.156 0.000 1.083 49 K HN 0.702 nan 8.250 nan 0.000 0.443 50 N N 0.944 119.905 118.700 0.436 0.000 2.374 50 N HA 0.078 4.818 4.740 -0.001 0.000 0.284 50 N C 1.202 176.813 175.510 0.170 0.000 1.280 50 N CA -0.397 52.863 53.050 0.349 0.000 0.963 50 N CB -0.078 38.571 38.487 0.269 0.000 1.141 50 N HN 0.613 nan 8.380 nan 0.000 0.565 51 I N -4.563 115.956 120.570 -0.085 0.000 2.850 51 I HA 0.021 4.190 4.170 -0.001 0.000 0.266 51 I C 0.333 176.258 176.117 -0.320 0.000 1.257 51 I CA 1.143 62.281 61.300 -0.269 0.000 1.465 51 I CB -0.606 37.096 38.000 -0.498 0.000 1.091 51 I HN 0.199 nan 8.210 nan 0.000 0.467 52 F N 1.851 121.828 119.950 0.045 0.000 2.664 52 F HA 0.485 5.011 4.527 -0.001 0.000 0.303 52 F C 1.892 177.726 175.800 0.057 0.000 1.092 52 F CA 0.266 58.293 58.000 0.045 0.000 1.305 52 F CB 0.254 39.278 39.000 0.041 0.000 1.054 52 F HN 0.232 nan 8.300 nan 0.000 0.565 53 G N -0.104 108.822 108.800 0.211 0.000 2.143 53 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.249 53 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.249 53 G C 0.128 175.132 174.900 0.173 0.000 0.981 53 G CA -0.187 45.011 45.100 0.163 0.000 0.665 53 G HN 0.236 nan 8.290 nan 0.000 0.528 54 Q N 0.726 120.657 119.800 0.217 0.000 2.257 54 Q HA 0.626 4.965 4.340 -0.001 0.000 0.262 54 Q C 0.707 176.836 176.000 0.215 0.000 0.997 54 Q CA 0.170 56.081 55.803 0.180 0.000 0.873 54 Q CB 1.382 30.205 28.738 0.141 0.000 1.312 54 Q HN 0.592 nan 8.270 nan 0.000 0.450 55 T N -1.576 113.094 114.554 0.194 0.000 2.899 55 T HA 0.416 4.765 4.350 -0.001 0.000 0.295 55 T C 0.303 175.101 174.700 0.164 0.000 1.033 55 T CA -0.800 61.456 62.100 0.260 0.000 1.084 55 T CB 0.579 69.584 68.868 0.228 0.000 0.979 55 T HN 0.381 nan 8.240 nan 0.000 0.532 56 L N 2.124 123.408 121.223 0.101 0.000 2.439 56 L HA 0.361 4.700 4.340 -0.001 0.000 0.269 56 L C 0.357 177.240 176.870 0.022 0.000 1.179 56 L CA 0.392 55.180 54.840 -0.087 0.000 0.828 56 L CB 0.775 42.559 42.059 -0.458 0.000 1.106 56 L HN 0.892 nan 8.230 nan 0.000 0.467 57 T N 6.484 121.044 114.554 0.011 0.000 2.811 57 T HA 0.540 4.890 4.350 -0.001 0.000 0.309 57 T C -0.256 174.468 174.700 0.040 0.000 1.005 57 T CA -0.077 62.044 62.100 0.035 0.000 0.955 57 T CB -0.372 68.509 68.868 0.022 0.000 0.970 57 T HN 0.324 nan 8.240 nan 0.000 0.496 58 I N 3.114 123.725 120.570 0.069 0.000 2.460 58 I HA 0.617 4.786 4.170 -0.001 0.000 0.298 58 I C 0.287 176.429 176.117 0.042 0.000 0.989 58 I CA -0.849 60.496 61.300 0.075 0.000 1.173 58 I CB 1.157 39.249 38.000 0.154 0.000 1.338 58 I HN 0.210 nan 8.210 nan 0.000 0.456 59 R N 3.036 123.529 120.500 -0.012 0.000 2.725 59 R HA 0.434 4.774 4.340 -0.001 0.000 0.277 59 R C -1.069 175.148 176.300 -0.138 0.000 0.987 59 R CA -0.867 55.205 56.100 -0.046 0.000 0.901 59 R CB 2.167 32.455 30.300 -0.020 0.000 1.207 59 R HN 0.695 nan 8.270 nan 0.000 0.463 60 E N 3.184 123.272 120.200 -0.186 0.000 2.134 60 E HA 0.275 4.625 4.350 -0.001 0.000 0.278 60 E C -0.227 176.333 176.600 -0.068 0.000 0.959 60 E CA -0.583 55.663 56.400 -0.257 0.000 0.783 60 E CB 0.842 30.294 29.700 -0.414 0.000 1.095 60 E HN 0.202 nan 8.360 nan 0.000 0.399 61 M N 2.536 122.150 119.600 0.022 0.000 2.219 61 M HA 0.029 4.508 4.480 -0.001 0.000 0.280 61 M C 1.183 177.581 176.300 0.163 0.000 1.189 61 M CA -0.083 55.250 55.300 0.055 0.000 1.010 61 M CB 0.588 33.189 32.600 0.002 0.000 1.422 61 M HN 0.603 nan 8.290 nan 0.000 0.504 62 Q N 0.631 120.466 119.800 0.058 0.000 2.389 62 Q HA 0.037 4.377 4.340 -0.001 0.000 0.204 62 Q C -0.117 175.809 176.000 -0.124 0.000 0.944 62 Q CA 0.759 56.617 55.803 0.091 0.000 0.908 62 Q CB 0.215 28.973 28.738 0.033 0.000 1.002 62 Q HN 0.732 nan 8.270 nan 0.000 0.493 63 S N -0.585 114.793 115.700 -0.536 0.000 2.615 63 S HA 0.174 4.644 4.470 -0.001 0.000 0.268 63 S C 0.105 174.241 174.600 -0.773 0.000 1.146 63 S CA -0.313 57.241 58.200 -1.077 0.000 0.818 63 S CB 0.644 63.561 63.200 -0.473 0.000 1.111 63 S HN 0.222 nan 8.310 nan 0.000 0.465 64 E N 0.559 120.392 120.200 -0.610 0.000 2.502 64 E HA 0.161 4.510 4.350 -0.001 0.000 0.194 64 E C 1.431 177.952 176.600 -0.132 0.000 1.062 64 E CA 0.740 57.008 56.400 -0.220 0.000 0.867 64 E CB -0.172 29.494 29.700 -0.056 0.000 0.888 64 E HN 0.686 nan 8.360 nan 0.000 0.510 65 A N 1.793 124.524 122.820 -0.148 0.000 1.943 65 A HA 0.199 4.518 4.320 -0.001 0.000 0.213 65 A C 2.409 179.960 177.584 -0.056 0.000 1.181 65 A CA 0.968 52.961 52.037 -0.073 0.000 0.653 65 A CB -0.809 18.146 19.000 -0.075 0.000 0.833 65 A HN 0.349 nan 8.150 nan 0.000 0.451 66 G N 0.014 108.757 108.800 -0.095 0.000 2.421 66 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.216 66 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.216 66 G C 1.753 176.633 174.900 -0.033 0.000 1.171 66 G CA 1.471 46.536 45.100 -0.059 0.000 0.775 66 G HN 0.766 nan 8.290 nan 0.000 0.543 67 A N 1.093 123.881 122.820 -0.054 0.000 1.940 67 A HA 0.205 4.525 4.320 -0.001 0.000 0.219 67 A C 2.790 180.374 177.584 0.000 0.000 1.176 67 A CA 2.341 54.361 52.037 -0.027 0.000 0.631 67 A CB -0.707 18.273 19.000 -0.034 0.000 0.814 67 A HN 0.810 nan 8.150 nan 0.000 0.446 68 A N -0.592 122.235 122.820 0.012 0.000 1.898 68 A HA 0.154 4.473 4.320 -0.001 0.000 0.216 68 A C 2.398 180.076 177.584 0.156 0.000 1.181 68 A CA 1.828 53.925 52.037 0.101 0.000 0.620 68 A CB -1.296 17.761 19.000 0.095 0.000 0.819 68 A HN 0.729 nan 8.150 nan 0.000 0.442 69 G N -0.785 108.081 108.800 0.110 0.000 2.422 69 G HA2 0.094 4.054 3.960 -0.001 0.000 0.218 69 G HA3 0.094 4.054 3.960 -0.001 0.000 0.218 69 G C 1.646 176.616 174.900 0.118 0.000 1.140 69 G CA 1.256 46.440 45.100 0.140 0.000 0.775 69 G HN 0.742 nan 8.290 nan 0.000 0.545 70 A N 0.228 123.093 122.820 0.074 0.000 1.897 70 A HA 0.145 4.464 4.320 -0.001 0.000 0.215 70 A C 2.551 180.187 177.584 0.087 0.000 1.181 70 A CA 1.519 53.587 52.037 0.052 0.000 0.620 70 A CB -0.586 18.430 19.000 0.026 0.000 0.821 70 A HN 0.206 nan 8.150 nan 0.000 0.443 71 V N -0.136 119.853 119.914 0.125 0.000 2.392 71 V HA -0.315 3.805 4.120 -0.001 0.000 0.249 71 V C 2.435 178.681 176.094 0.254 0.000 1.059 71 V CA 2.325 64.734 62.300 0.182 0.000 1.051 71 V CB -0.986 30.979 31.823 0.238 0.000 0.658 71 V HN 0.833 nan 8.190 nan 0.000 0.455 72 H N 0.035 119.191 119.070 0.144 0.000 2.299 72 H HA -0.123 4.433 4.556 -0.001 0.000 0.302 72 H C 2.294 177.681 175.328 0.098 0.000 1.078 72 H CA 1.383 57.509 56.048 0.130 0.000 1.323 72 H CB -0.187 29.646 29.762 0.117 0.000 1.381 72 H HN 0.450 nan 8.280 nan 0.000 0.498 73 G N 0.117 108.872 108.800 -0.075 0.000 2.432 73 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 73 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 73 G C 1.822 176.699 174.900 -0.038 0.000 1.135 73 G CA 0.771 45.782 45.100 -0.148 0.000 0.767 73 G HN 0.577 nan 8.290 nan 0.000 0.550 74 A N 0.705 123.546 122.820 0.035 0.000 1.841 74 A HA 0.105 4.424 4.320 -0.001 0.000 0.214 74 A C 2.431 180.078 177.584 0.104 0.000 1.195 74 A CA 1.274 53.345 52.037 0.057 0.000 0.611 74 A CB -0.536 18.510 19.000 0.077 0.000 0.835 74 A HN 0.326 nan 8.150 nan 0.000 0.443 75 L N -0.591 120.741 121.223 0.182 0.000 2.012 75 L HA -0.260 4.080 4.340 -0.001 0.000 0.210 75 L C 3.138 180.159 176.870 0.251 0.000 1.073 75 L CA 1.235 56.259 54.840 0.307 0.000 0.748 75 L CB -0.587 41.648 42.059 0.294 0.000 0.891 75 L HN 0.467 nan 8.230 nan 0.000 0.431 76 A N 0.061 122.973 122.820 0.153 0.000 1.892 76 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 76 A C 2.222 179.813 177.584 0.011 0.000 1.188 76 A CA 1.828 53.915 52.037 0.084 0.000 0.631 76 A CB -0.839 18.139 19.000 -0.037 0.000 0.822 76 A HN 0.413 nan 8.150 nan 0.000 0.447 77 A N -1.698 121.108 122.820 -0.022 0.000 2.250 77 A HA 0.402 4.722 4.320 -0.001 0.000 0.208 77 A C 1.802 179.316 177.584 -0.117 0.000 1.254 77 A CA 1.183 53.181 52.037 -0.066 0.000 0.858 77 A CB -1.394 17.572 19.000 -0.057 0.000 0.820 77 A HN 2.014 nan 8.150 nan 0.000 0.484 78 G N -1.934 106.740 108.800 -0.210 0.000 2.253 78 G HA2 0.016 3.976 3.960 -0.001 0.000 0.251 78 G HA3 0.016 3.976 3.960 -0.001 0.000 0.251 78 G C 0.554 175.276 174.900 -0.295 0.000 0.998 78 G CA 0.250 45.063 45.100 -0.477 0.000 0.621 78 G HN 1.713 nan 8.290 nan 0.000 0.524 79 A N 0.507 123.331 122.820 0.007 0.000 2.340 79 A HA 0.750 5.070 4.320 -0.001 0.000 0.268 79 A C 0.554 178.351 177.584 0.355 0.000 1.100 79 A CA -0.273 51.835 52.037 0.119 0.000 0.803 79 A CB 0.449 19.475 19.000 0.043 0.000 1.043 79 A HN 0.832 nan 8.150 nan 0.000 0.488 80 L N 1.743 123.143 121.223 0.295 0.000 2.380 80 L HA 0.412 4.752 4.340 -0.001 0.000 0.273 80 L C 0.335 177.290 176.870 0.143 0.000 1.138 80 L CA 0.105 55.061 54.840 0.194 0.000 0.832 80 L CB 1.034 43.184 42.059 0.151 0.000 1.124 80 L HN 0.779 nan 8.230 nan 0.000 0.454 81 T N 0.680 115.312 114.554 0.130 0.000 2.883 81 T HA 0.686 5.035 4.350 -0.001 0.000 0.296 81 T C -0.452 174.332 174.700 0.140 0.000 1.117 81 T CA -0.629 61.547 62.100 0.127 0.000 1.006 81 T CB 2.265 71.216 68.868 0.139 0.000 1.191 81 T HN 0.613 nan 8.240 nan 0.000 0.508 82 T N 0.114 114.714 114.554 0.078 0.000 2.812 82 T HA 0.846 5.195 4.350 -0.001 0.000 0.294 82 T C -0.911 173.645 174.700 -0.240 0.000 1.159 82 T CA -0.823 61.273 62.100 -0.007 0.000 1.008 82 T CB 2.042 70.856 68.868 -0.090 0.000 1.289 82 T HN 0.730 nan 8.240 nan 0.000 0.514 83 T N 0.224 114.454 114.554 -0.539 0.000 2.893 83 T HA 0.601 4.951 4.350 -0.001 0.000 0.337 83 T C -2.167 172.052 174.700 -0.802 0.000 1.587 83 T CA -0.636 61.054 62.100 -0.683 0.000 1.066 83 T CB 0.616 69.113 68.868 -0.618 0.000 1.414 83 T HN 0.425 nan 8.240 nan 0.000 0.488 84 F N 1.667 121.592 119.950 -0.041 0.000 2.520 84 F HA 0.809 5.336 4.527 -0.001 0.000 0.322 84 F C 0.730 176.507 175.800 -0.039 0.000 1.103 84 F CA -0.576 57.438 58.000 0.025 0.000 0.926 84 F CB 2.497 41.539 39.000 0.070 0.000 1.154 84 F HN 0.557 nan 8.300 nan 0.000 0.453 85 T N 0.812 115.426 114.554 0.100 0.000 2.718 85 T HA 0.853 5.202 4.350 -0.001 0.000 0.306 85 T C -1.724 172.979 174.700 0.006 0.000 1.485 85 T CA -0.315 61.807 62.100 0.036 0.000 0.997 85 T CB 1.486 70.327 68.868 -0.044 0.000 1.504 85 T HN 1.032 nan 8.240 nan 0.000 0.497 86 A N 0.552 123.370 122.820 -0.003 0.000 2.568 86 A HA 0.819 5.138 4.320 -0.001 0.000 0.291 86 A C 1.080 178.650 177.584 -0.022 0.000 1.159 86 A CA 0.496 52.512 52.037 -0.034 0.000 0.679 86 A CB 0.530 19.497 19.000 -0.055 0.000 1.285 86 A HN 2.101 nan 8.150 nan 0.000 0.428 87 S N 0.146 115.825 115.700 -0.034 0.000 1.878 87 S HA -0.434 4.036 4.470 -0.001 0.000 0.537 87 S C 1.490 176.083 174.600 -0.012 0.000 0.915 87 S CA 2.602 60.786 58.200 -0.026 0.000 3.381 87 S CB -1.381 61.805 63.200 -0.023 0.000 2.352 87 S HN 1.074 nan 8.310 nan 0.000 0.593 88 Q N 1.885 121.688 119.800 0.004 0.000 2.124 88 Q HA 0.029 4.369 4.340 -0.001 0.000 0.202 88 Q C 2.585 178.601 176.000 0.027 0.000 0.977 88 Q CA 1.790 57.604 55.803 0.018 0.000 0.850 88 Q CB -1.599 27.162 28.738 0.039 0.000 0.901 88 Q HN 0.868 nan 8.270 nan 0.000 0.429 89 G N 1.608 110.435 108.800 0.045 0.000 2.440 89 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 89 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 89 G C 1.511 176.416 174.900 0.008 0.000 1.154 89 G CA 0.908 46.038 45.100 0.050 0.000 0.767 89 G HN 0.316 nan 8.290 nan 0.000 0.552 90 L N 0.454 121.675 121.223 -0.004 0.000 2.017 90 L HA 0.096 4.435 4.340 -0.001 0.000 0.208 90 L C 2.782 179.639 176.870 -0.021 0.000 1.073 90 L CA 1.310 56.141 54.840 -0.016 0.000 0.745 90 L CB -0.465 41.575 42.059 -0.032 0.000 0.894 90 L HN 0.210 nan 8.230 nan 0.000 0.432 91 L N -1.025 120.186 121.223 -0.019 0.000 2.081 91 L HA -0.287 4.053 4.340 -0.001 0.000 0.212 91 L C 2.413 179.277 176.870 -0.010 0.000 1.080 91 L CA 1.296 56.126 54.840 -0.016 0.000 0.754 91 L CB -0.602 41.451 42.059 -0.010 0.000 0.893 91 L HN 0.336 nan 8.230 nan 0.000 0.433 92 L N -1.121 120.096 121.223 -0.010 0.000 2.362 92 L HA -0.159 4.180 4.340 -0.001 0.000 0.219 92 L C 2.154 179.020 176.870 -0.008 0.000 1.134 92 L CA 0.939 55.770 54.840 -0.016 0.000 0.807 92 L CB -0.288 41.751 42.059 -0.033 0.000 0.927 92 L HN 0.406 nan 8.230 nan 0.000 0.447 93 M N -1.073 118.527 119.600 0.000 0.000 2.495 93 M HA 0.035 4.515 4.480 -0.001 0.000 0.237 93 M C 1.929 178.230 176.300 0.002 0.000 1.131 93 M CA 0.353 55.672 55.300 0.031 0.000 1.032 93 M CB 0.299 32.953 32.600 0.090 0.000 1.513 93 M HN 0.170 nan 8.290 nan 0.000 0.488 94 I N 0.973 121.533 120.570 -0.017 0.000 2.163 94 I HA -0.217 3.953 4.170 -0.001 0.000 0.243 94 I C -0.594 175.595 176.117 0.120 0.000 1.085 94 I CA 1.688 62.974 61.300 -0.023 0.000 1.347 94 I CB -1.785 36.225 38.000 0.015 0.000 1.044 94 I HN 0.146 nan 8.210 nan 0.000 0.408 95 P HA -0.146 nan 4.420 nan 0.000 0.215 95 P C 1.266 178.654 177.300 0.146 0.000 1.157 95 P CA 1.487 64.681 63.100 0.156 0.000 0.874 95 P CB -0.093 31.639 31.700 0.054 0.000 0.790 96 N N -1.138 117.606 118.700 0.073 0.000 2.106 96 N HA -0.100 4.640 4.740 -0.001 0.000 0.188 96 N C 1.746 177.245 175.510 -0.018 0.000 1.029 96 N CA 1.317 54.384 53.050 0.027 0.000 0.848 96 N CB -0.624 37.910 38.487 0.078 0.000 1.007 96 N HN 0.170 nan 8.380 nan 0.000 0.423 97 M N -0.030 119.514 119.600 -0.094 0.000 2.116 97 M HA -0.258 4.221 4.480 -0.001 0.000 0.255 97 M C 1.818 178.076 176.300 -0.069 0.000 1.075 97 M CA 1.726 56.841 55.300 -0.308 0.000 1.087 97 M CB -0.590 31.500 32.600 -0.850 0.000 1.340 97 M HN 0.185 nan 8.290 nan 0.000 0.402 98 Y N 0.158 120.417 120.300 -0.069 0.000 2.181 98 Y HA -0.194 4.355 4.550 -0.001 0.000 0.288 98 Y C 2.529 178.415 175.900 -0.023 0.000 1.146 98 Y CA 1.171 59.260 58.100 -0.018 0.000 1.164 98 Y CB -0.260 38.185 38.460 -0.025 0.000 0.982 98 Y HN 0.058 nan 8.280 nan 0.000 0.515 99 K N 0.228 120.671 120.400 0.072 0.000 2.103 99 K HA -0.071 4.248 4.320 -0.001 0.000 0.204 99 K C 2.013 178.517 176.600 -0.160 0.000 1.052 99 K CA 1.118 57.353 56.287 -0.086 0.000 0.945 99 K CB -0.616 31.720 32.500 -0.273 0.000 0.722 99 K HN 0.385 nan 8.250 nan 0.000 0.443 100 I N 1.354 121.836 120.570 -0.146 0.000 2.226 100 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 100 I C 2.215 178.326 176.117 -0.010 0.000 1.100 100 I CA 1.556 62.827 61.300 -0.049 0.000 1.374 100 I CB -0.237 37.822 38.000 0.098 0.000 1.057 100 I HN 0.107 nan 8.210 nan 0.000 0.413 101 S N 0.095 115.825 115.700 0.050 0.000 2.478 101 S HA 0.085 4.554 4.470 -0.001 0.000 0.222 101 S C 2.115 176.743 174.600 0.046 0.000 1.008 101 S CA 0.390 58.587 58.200 -0.004 0.000 0.928 101 S CB -0.595 62.654 63.200 0.081 0.000 0.781 101 S HN 0.428 nan 8.310 nan 0.000 0.518 102 G N 2.467 111.305 108.800 0.064 0.000 2.440 102 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.218 102 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.218 102 G C 1.198 176.112 174.900 0.023 0.000 1.154 102 G CA 0.703 45.838 45.100 0.058 0.000 0.767 102 G HN 0.695 nan 8.290 nan 0.000 0.552 103 E N 0.580 120.796 120.200 0.027 0.000 2.403 103 E HA 0.294 4.643 4.350 -0.001 0.000 0.188 103 E C 0.063 176.664 176.600 0.002 0.000 1.056 103 E CA -0.441 55.983 56.400 0.040 0.000 0.892 103 E CB -0.019 29.755 29.700 0.123 0.000 1.049 103 E HN 0.342 nan 8.360 nan 0.000 0.465 104 L N 1.465 122.654 121.223 -0.057 0.000 3.844 104 L HA -0.235 4.104 4.340 -0.001 0.000 0.580 104 L C -0.622 176.215 176.870 -0.055 0.000 1.156 104 L CA 0.406 55.173 54.840 -0.121 0.000 0.848 104 L CB -1.435 40.470 42.059 -0.256 0.000 1.283 104 L HN 0.329 nan 8.230 nan 0.000 0.803 105 L N 2.793 123.982 121.223 -0.058 0.000 2.346 105 L HA 0.506 4.846 4.340 -0.001 0.000 0.274 105 L C -1.581 175.186 176.870 -0.170 0.000 1.007 105 L CA -1.759 53.068 54.840 -0.022 0.000 0.818 105 L CB 1.818 43.932 42.059 0.092 0.000 1.284 105 L HN -0.038 nan 8.230 nan 0.000 0.424 106 P HA 0.050 nan 4.420 nan 0.000 0.237 106 P C 0.330 177.479 177.300 -0.251 0.000 1.723 106 P CA 0.024 62.925 63.100 -0.331 0.000 0.882 106 P CB -0.094 31.296 31.700 -0.518 0.000 1.810 107 G N -0.034 108.634 108.800 -0.220 0.000 2.606 107 G HA2 0.415 4.375 3.960 -0.001 0.000 0.252 107 G HA3 0.415 4.375 3.960 -0.001 0.000 0.252 107 G C -0.851 173.958 174.900 -0.152 0.000 1.206 107 G CA -0.147 44.890 45.100 -0.104 0.000 0.861 107 G HN 0.161 nan 8.290 nan 0.000 0.561 108 V N 1.029 120.983 119.914 0.066 0.000 2.655 108 V HA 0.380 4.499 4.120 -0.001 0.000 0.301 108 V C -1.429 174.917 176.094 0.419 0.000 1.082 108 V CA -0.730 61.587 62.300 0.028 0.000 0.899 108 V CB 1.645 33.270 31.823 -0.330 0.000 1.014 108 V HN 0.567 nan 8.190 nan 0.000 0.429 109 F N 2.791 122.740 119.950 -0.000 0.000 2.467 109 F HA 0.613 5.140 4.527 -0.001 0.000 0.336 109 F C 0.197 175.947 175.800 -0.084 0.000 1.123 109 F CA -1.265 56.753 58.000 0.029 0.000 0.964 109 F CB 1.535 40.617 39.000 0.137 0.000 1.136 109 F HN 0.506 nan 8.300 nan 0.000 0.447 110 H N 1.581 120.785 119.070 0.223 0.000 2.541 110 H HA 0.579 5.135 4.556 -0.001 0.000 0.316 110 H C -0.550 174.892 175.328 0.190 0.000 1.043 110 H CA -0.629 55.604 56.048 0.309 0.000 1.232 110 H CB 1.632 31.685 29.762 0.485 0.000 1.406 110 H HN 0.398 nan 8.280 nan 0.000 0.469 111 V N 1.912 121.899 119.914 0.122 0.000 2.540 111 V HA 0.494 4.614 4.120 -0.001 0.000 0.302 111 V C 0.197 176.093 176.094 -0.331 0.000 1.035 111 V CA -0.795 61.487 62.300 -0.029 0.000 0.873 111 V CB 1.884 33.706 31.823 -0.002 0.000 0.992 111 V HN 0.870 nan 8.190 nan 0.000 0.428 112 T N 3.377 117.676 114.554 -0.426 0.000 3.414 112 T HA 0.654 5.004 4.350 -0.001 0.000 0.304 112 T C 0.588 175.125 174.700 -0.270 0.000 1.241 112 T CA 0.278 61.992 62.100 -0.644 0.000 1.076 112 T CB -0.107 68.472 68.868 -0.482 0.000 1.134 112 T HN 1.993 nan 8.240 nan 0.000 0.759 113 A N 3.593 126.317 122.820 -0.160 0.000 2.589 113 A HA 0.172 4.491 4.320 -0.001 0.000 0.259 113 A C 0.697 178.262 177.584 -0.030 0.000 1.000 113 A CA 0.266 52.275 52.037 -0.047 0.000 0.847 113 A CB -0.289 18.787 19.000 0.126 0.000 0.885 113 A HN 0.994 nan 8.150 nan 0.000 0.508 114 R N 2.397 122.872 120.500 -0.042 0.000 2.771 114 R HA 0.641 4.981 4.340 -0.001 0.000 0.274 114 R C -0.046 176.242 176.300 -0.019 0.000 0.987 114 R CA -0.191 55.901 56.100 -0.012 0.000 0.908 114 R CB 1.536 31.822 30.300 -0.023 0.000 1.213 114 R HN 1.081 nan 8.270 nan 0.000 0.468 115 A N 3.825 126.645 122.820 -0.000 0.000 2.466 115 A HA 0.283 4.603 4.320 -0.001 0.000 0.238 115 A C 0.127 177.699 177.584 -0.021 0.000 1.074 115 A CA -0.174 51.857 52.037 -0.011 0.000 0.774 115 A CB 0.169 19.173 19.000 0.007 0.000 1.015 115 A HN 0.528 nan 8.150 nan 0.000 0.498 116 I N 0.804 121.358 120.570 -0.026 0.000 2.428 116 I HA 0.372 4.542 4.170 -0.001 0.000 0.296 116 I C 0.894 176.978 176.117 -0.055 0.000 0.985 116 I CA -0.249 61.032 61.300 -0.032 0.000 1.260 116 I CB 1.153 39.139 38.000 -0.022 0.000 1.389 116 I HN 0.701 nan 8.210 nan 0.000 0.484 117 A N 4.681 127.466 122.820 -0.059 0.000 2.395 117 A HA 0.595 4.915 4.320 -0.001 0.000 0.286 117 A C 0.503 178.032 177.584 -0.091 0.000 1.193 117 A CA 0.229 52.211 52.037 -0.092 0.000 0.852 117 A CB 0.090 19.048 19.000 -0.070 0.000 1.118 117 A HN 0.972 nan 8.150 nan 0.000 0.524 118 A N 2.310 125.044 122.820 -0.143 0.000 2.523 118 A HA 0.357 4.676 4.320 -0.001 0.000 0.212 118 A C 1.678 179.217 177.584 -0.075 0.000 2.213 118 A CA 0.523 52.517 52.037 -0.071 0.000 1.683 118 A CB -0.595 18.403 19.000 -0.002 0.000 1.169 118 A HN 0.982 nan 8.150 nan 0.000 0.397 119 H N -0.001 119.092 119.070 0.037 0.000 2.457 119 H HA 0.373 4.929 4.556 -0.001 0.000 0.294 119 H C 0.512 175.888 175.328 0.081 0.000 1.064 119 H CA 1.323 57.410 56.048 0.064 0.000 1.330 119 H CB -0.255 29.549 29.762 0.069 0.000 1.395 119 H HN 0.616 nan 8.280 nan 0.000 0.541 120 A N 0.869 123.299 122.820 -0.649 0.000 2.594 120 A HA 0.534 4.853 4.320 -0.001 0.000 0.291 120 A C -1.018 176.394 177.584 -0.287 0.000 1.105 120 A CA -0.803 51.043 52.037 -0.318 0.000 0.694 120 A CB 1.534 20.420 19.000 -0.189 0.000 1.291 120 A HN 0.290 nan 8.150 nan 0.000 0.410 121 L N 0.410 121.557 121.223 -0.126 0.000 2.416 121 L HA 0.869 5.208 4.340 -0.001 0.000 0.262 121 L C -0.013 176.824 176.870 -0.055 0.000 1.093 121 L CA -0.128 54.660 54.840 -0.086 0.000 0.801 121 L CB 1.753 43.784 42.059 -0.047 0.000 1.191 121 L HN 0.770 nan 8.230 nan 0.000 0.459 122 S N 1.344 117.024 115.700 -0.034 0.000 2.562 122 S HA 0.356 4.826 4.470 -0.001 0.000 0.274 122 S C 0.244 174.821 174.600 -0.039 0.000 1.160 122 S CA -0.714 57.498 58.200 0.020 0.000 0.933 122 S CB 1.193 64.439 63.200 0.077 0.000 1.100 122 S HN 0.684 nan 8.310 nan 0.000 0.468 123 I N 0.919 121.383 120.570 -0.176 0.000 3.603 123 I HA 0.398 4.567 4.170 -0.001 0.000 0.297 123 I C -0.009 175.944 176.117 -0.273 0.000 1.269 123 I CA 0.032 61.173 61.300 -0.265 0.000 1.361 123 I CB -0.179 37.587 38.000 -0.391 0.000 1.063 123 I HN 0.308 nan 8.210 nan 0.000 0.448 124 F N 2.595 122.568 119.950 0.037 0.000 2.408 124 F HA 0.545 5.071 4.527 -0.001 0.000 0.303 124 F C 1.492 177.365 175.800 0.122 0.000 1.268 124 F CA -0.180 57.853 58.000 0.056 0.000 1.218 124 F CB 0.020 38.960 39.000 -0.100 0.000 1.283 124 F HN -0.120 nan 8.300 nan 0.000 0.545 125 G N 0.176 109.181 108.800 0.342 0.000 2.338 125 G HA2 0.527 4.486 3.960 -0.001 0.000 0.298 125 G HA3 0.527 4.486 3.960 -0.001 0.000 0.298 125 G C -1.570 173.344 174.900 0.022 0.000 1.140 125 G CA -0.249 44.954 45.100 0.171 0.000 0.860 125 G HN 0.718 nan 8.290 nan 0.000 0.470 126 D N -1.031 119.339 120.400 -0.051 0.000 2.725 126 D HA 0.079 4.719 4.640 -0.001 0.000 0.292 126 D C -0.426 175.774 176.300 -0.167 0.000 1.288 126 D CA -0.773 53.100 54.000 -0.212 0.000 0.784 126 D CB 0.187 40.868 40.800 -0.197 0.000 1.308 126 D HN 0.414 nan 8.370 nan 0.000 0.429 127 H N -0.568 118.397 119.070 -0.175 0.000 2.537 127 H HA 0.233 4.789 4.556 -0.001 0.000 0.295 127 H C 0.775 175.978 175.328 -0.208 0.000 1.054 127 H CA -0.105 55.742 56.048 -0.336 0.000 1.156 127 H CB 0.484 29.865 29.762 -0.634 0.000 1.468 127 H HN 0.262 nan 8.280 nan 0.000 0.551 128 Q N 0.745 120.549 119.800 0.006 0.000 2.167 128 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 128 Q C 1.401 177.404 176.000 0.005 0.000 0.970 128 Q CA 1.572 57.402 55.803 0.044 0.000 0.855 128 Q CB 0.196 28.942 28.738 0.012 0.000 0.911 128 Q HN 0.683 nan 8.270 nan 0.000 0.438 129 D N 0.230 120.593 120.400 -0.060 0.000 2.213 129 D HA -0.132 4.508 4.640 -0.001 0.000 0.205 129 D C 1.827 178.041 176.300 -0.144 0.000 0.961 129 D CA 0.645 54.597 54.000 -0.081 0.000 0.853 129 D CB -0.470 40.283 40.800 -0.078 0.000 0.967 129 D HN 0.471 nan 8.370 nan 0.000 0.496 130 I N -2.216 118.178 120.570 -0.294 0.000 2.286 130 I HA -0.126 4.044 4.170 -0.001 0.000 0.245 130 I C 1.890 177.864 176.117 -0.239 0.000 1.104 130 I CA 0.779 61.814 61.300 -0.441 0.000 1.397 130 I CB -0.787 36.586 38.000 -1.046 0.000 1.072 130 I HN -0.242 nan 8.210 nan 0.000 0.417 131 Y N 1.948 122.124 120.300 -0.208 0.000 2.403 131 Y HA 0.002 4.552 4.550 -0.001 0.000 0.291 131 Y C 2.759 178.621 175.900 -0.063 0.000 1.143 131 Y CA 0.535 58.574 58.100 -0.101 0.000 1.257 131 Y CB -0.937 37.474 38.460 -0.083 0.000 0.984 131 Y HN 0.289 nan 8.280 nan 0.000 0.550 132 A N -0.521 122.339 122.820 0.067 0.000 2.014 132 A HA 0.140 4.460 4.320 -0.001 0.000 0.218 132 A C 2.169 179.741 177.584 -0.020 0.000 1.163 132 A CA 1.255 53.304 52.037 0.021 0.000 0.652 132 A CB -0.670 18.328 19.000 -0.003 0.000 0.808 132 A HN 0.278 nan 8.150 nan 0.000 0.449 133 A N -1.190 121.593 122.820 -0.061 0.000 2.423 133 A HA 0.281 4.600 4.320 -0.001 0.000 0.246 133 A C 1.724 179.241 177.584 -0.111 0.000 1.278 133 A CA 0.131 52.083 52.037 -0.142 0.000 0.903 133 A CB -0.419 18.457 19.000 -0.208 0.000 0.997 133 A HN 0.441 nan 8.150 nan 0.000 0.510 134 R N 0.467 120.966 120.500 -0.001 0.000 2.133 134 R HA -0.204 4.136 4.340 -0.001 0.000 0.247 134 R C 1.948 178.234 176.300 -0.024 0.000 1.151 134 R CA 1.969 58.109 56.100 0.066 0.000 0.971 134 R CB 0.056 30.435 30.300 0.132 0.000 0.866 134 R HN 0.777 nan 8.270 nan 0.000 0.447 135 Q N -0.779 118.979 119.800 -0.071 0.000 2.282 135 Q HA -0.008 4.331 4.340 -0.001 0.000 0.206 135 Q C 1.215 177.076 176.000 -0.232 0.000 0.878 135 Q CA 1.073 56.823 55.803 -0.088 0.000 0.944 135 Q CB 0.224 28.964 28.738 0.003 0.000 1.100 135 Q HN 0.265 nan 8.270 nan 0.000 0.509 136 T N -2.385 111.889 114.554 -0.466 0.000 2.946 136 T HA 0.106 4.455 4.350 -0.001 0.000 0.271 136 T C 1.526 176.007 174.700 -0.364 0.000 1.104 136 T CA 1.403 62.965 62.100 -0.898 0.000 1.114 136 T CB -0.256 68.101 68.868 -0.851 0.000 0.867 136 T HN 0.580 nan 8.240 nan 0.000 0.513 137 G N 0.152 108.882 108.800 -0.116 0.000 2.195 137 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.224 137 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.224 137 G C -0.094 174.930 174.900 0.207 0.000 0.990 137 G CA -0.325 44.805 45.100 0.050 0.000 0.639 137 G HN 0.468 nan 8.290 nan 0.000 0.514 138 F N 2.125 121.982 119.950 -0.155 0.000 2.506 138 F HA 0.623 5.149 4.527 -0.001 0.000 0.351 138 F C 1.140 176.802 175.800 -0.230 0.000 1.136 138 F CA -0.138 57.734 58.000 -0.214 0.000 1.298 138 F CB 0.953 39.784 39.000 -0.281 0.000 1.145 138 F HN 0.372 nan 8.300 nan 0.000 0.593 139 A N 4.886 127.474 122.820 -0.387 0.000 2.322 139 A HA 0.702 5.021 4.320 -0.001 0.000 0.269 139 A C -0.452 176.850 177.584 -0.471 0.000 1.094 139 A CA -0.497 51.167 52.037 -0.622 0.000 0.807 139 A CB 0.360 18.460 19.000 -1.500 0.000 1.047 139 A HN 0.754 nan 8.150 nan 0.000 0.487 140 M N 1.743 121.202 119.600 -0.235 0.000 2.393 140 M HA 0.497 4.976 4.480 -0.001 0.000 0.299 140 M C -1.244 175.129 176.300 0.122 0.000 1.103 140 M CA -0.052 55.300 55.300 0.087 0.000 0.910 140 M CB 2.094 34.883 32.600 0.315 0.000 1.659 140 M HN 0.537 nan 8.290 nan 0.000 0.445 141 L N 2.311 123.643 121.223 0.182 0.000 2.482 141 L HA 0.802 5.142 4.340 -0.001 0.000 0.269 141 L C -1.185 175.605 176.870 -0.133 0.000 0.967 141 L CA -0.398 54.492 54.840 0.083 0.000 0.851 141 L CB 1.830 44.018 42.059 0.215 0.000 1.242 141 L HN 0.924 nan 8.230 nan 0.000 0.404 142 A N 2.891 125.485 122.820 -0.376 0.000 2.305 142 A HA 0.748 5.067 4.320 -0.001 0.000 0.322 142 A C -0.148 177.249 177.584 -0.311 0.000 1.187 142 A CA -0.419 51.157 52.037 -0.769 0.000 0.825 142 A CB 1.239 19.574 19.000 -1.109 0.000 1.164 142 A HN 0.689 nan 8.150 nan 0.000 0.498 143 S N 0.981 116.584 115.700 -0.162 0.000 2.509 143 S HA 0.557 5.027 4.470 -0.001 0.000 0.297 143 S C 0.316 174.933 174.600 0.030 0.000 1.118 143 S CA 0.064 58.253 58.200 -0.019 0.000 1.074 143 S CB 1.468 64.738 63.200 0.116 0.000 1.038 143 S HN 1.402 nan 8.310 nan 0.000 0.498 144 S N 0.163 115.894 115.700 0.052 0.000 2.624 144 S HA 0.541 5.011 4.470 -0.001 0.000 0.246 144 S C -0.027 174.645 174.600 0.120 0.000 1.072 144 S CA -0.005 58.260 58.200 0.109 0.000 1.045 144 S CB -1.052 62.214 63.200 0.110 0.000 0.851 144 S HN 1.612 nan 8.310 nan 0.000 0.480 145 S N -1.367 114.399 115.700 0.109 0.000 2.680 145 S HA 0.286 4.756 4.470 -0.001 0.000 0.284 145 S C 0.412 175.058 174.600 0.076 0.000 1.055 145 S CA -0.349 57.911 58.200 0.100 0.000 0.849 145 S CB 0.262 63.517 63.200 0.092 0.000 1.068 145 S HN 0.152 nan 8.310 nan 0.000 0.453 146 V N 1.508 121.467 119.914 0.074 0.000 2.317 146 V HA -0.244 3.875 4.120 -0.001 0.000 0.251 146 V C 2.901 179.030 176.094 0.058 0.000 1.065 146 V CA 2.775 65.103 62.300 0.047 0.000 1.049 146 V CB -1.100 30.763 31.823 0.065 0.000 0.651 146 V HN 1.000 nan 8.190 nan 0.000 0.450 147 Q N 0.509 120.358 119.800 0.083 0.000 2.084 147 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 147 Q C 2.102 178.188 176.000 0.144 0.000 0.978 147 Q CA 2.067 57.936 55.803 0.109 0.000 0.844 147 Q CB -0.367 28.443 28.738 0.119 0.000 0.898 147 Q HN 0.696 nan 8.270 nan 0.000 0.426 148 E N -1.086 119.182 120.200 0.113 0.000 2.338 148 E HA -0.082 4.267 4.350 -0.001 0.000 0.197 148 E C 1.589 178.192 176.600 0.004 0.000 1.007 148 E CA 0.573 57.005 56.400 0.052 0.000 0.849 148 E CB -0.065 29.649 29.700 0.023 0.000 0.774 148 E HN 0.510 nan 8.360 nan 0.000 0.506 149 A N 0.763 123.592 122.820 0.014 0.000 1.929 149 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 149 A C 2.022 179.633 177.584 0.044 0.000 1.176 149 A CA 1.392 53.417 52.037 -0.021 0.000 0.628 149 A CB -0.572 18.224 19.000 -0.340 0.000 0.816 149 A HN 0.379 nan 8.150 nan 0.000 0.444 150 H N 0.526 119.598 119.070 0.003 0.000 2.276 150 H HA -0.130 4.425 4.556 -0.001 0.000 0.301 150 H C 1.343 176.685 175.328 0.023 0.000 1.073 150 H CA 2.005 58.087 56.048 0.056 0.000 1.311 150 H CB -0.314 29.500 29.762 0.085 0.000 1.379 150 H HN 0.375 nan 8.280 nan 0.000 0.494 151 D N 0.810 121.293 120.400 0.138 0.000 2.088 151 D HA -0.152 4.488 4.640 -0.001 0.000 0.191 151 D C 2.381 178.573 176.300 -0.181 0.000 0.992 151 D CA 1.128 55.161 54.000 0.055 0.000 0.831 151 D CB -0.525 40.401 40.800 0.211 0.000 0.973 151 D HN 0.261 nan 8.370 nan 0.000 0.447 152 M N 0.615 120.048 119.600 -0.279 0.000 2.260 152 M HA -0.109 4.371 4.480 -0.001 0.000 0.261 152 M C 1.894 177.838 176.300 -0.594 0.000 1.066 152 M CA 0.833 55.886 55.300 -0.410 0.000 1.082 152 M CB -0.668 31.711 32.600 -0.367 0.000 1.388 152 M HN 0.094 nan 8.290 nan 0.000 0.419 153 A N -1.051 121.421 122.820 -0.579 0.000 1.929 153 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 153 A C 2.229 179.759 177.584 -0.089 0.000 1.176 153 A CA 1.020 52.860 52.037 -0.329 0.000 0.628 153 A CB -0.735 18.311 19.000 0.076 0.000 0.816 153 A HN 0.478 nan 8.150 nan 0.000 0.444 154 L N -0.123 120.979 121.223 -0.202 0.000 1.994 154 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 154 L C 2.496 179.238 176.870 -0.213 0.000 1.071 154 L CA 1.604 56.331 54.840 -0.187 0.000 0.745 154 L CB -0.361 41.560 42.059 -0.229 0.000 0.892 154 L HN 0.259 nan 8.230 nan 0.000 0.431 155 V N 0.421 120.197 119.914 -0.230 0.000 2.282 155 V HA -0.360 3.760 4.120 -0.001 0.000 0.249 155 V C 2.807 178.627 176.094 -0.458 0.000 1.057 155 V CA 1.905 64.046 62.300 -0.266 0.000 1.032 155 V CB -1.067 30.650 31.823 -0.177 0.000 0.645 155 V HN 0.609 nan 8.190 nan 0.000 0.447 156 A N -1.639 120.905 122.820 -0.460 0.000 1.972 156 A HA -0.249 4.070 4.320 -0.001 0.000 0.219 156 A C 2.130 179.275 177.584 -0.732 0.000 1.169 156 A CA 1.801 53.411 52.037 -0.712 0.000 0.635 156 A CB -0.680 18.136 19.000 -0.306 0.000 0.810 156 A HN 0.689 nan 8.150 nan 0.000 0.446 157 H N -0.437 118.384 119.070 -0.415 0.000 2.317 157 H HA 0.036 4.591 4.556 -0.001 0.000 0.304 157 H C 2.128 177.189 175.328 -0.445 0.000 1.067 157 H CA 1.695 57.546 56.048 -0.329 0.000 1.352 157 H CB -0.219 29.416 29.762 -0.212 0.000 1.398 157 H HN 0.425 nan 8.280 nan 0.000 0.510 158 L N 0.247 121.197 121.223 -0.456 0.000 2.017 158 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 158 L C 2.908 179.285 176.870 -0.821 0.000 1.073 158 L CA 1.098 55.481 54.840 -0.763 0.000 0.745 158 L CB -0.511 40.772 42.059 -1.294 0.000 0.894 158 L HN 0.181 nan 8.230 nan 0.000 0.432 159 A N -0.137 122.198 122.820 -0.808 0.000 2.019 159 A HA -0.095 4.225 4.320 -0.001 0.000 0.219 159 A C 2.500 179.858 177.584 -0.377 0.000 1.164 159 A CA 1.591 53.350 52.037 -0.463 0.000 0.644 159 A CB -0.580 18.076 19.000 -0.573 0.000 0.805 159 A HN 0.408 nan 8.150 nan 0.000 0.449 160 A N -0.019 122.496 122.820 -0.508 0.000 1.897 160 A HA 0.015 4.334 4.320 -0.001 0.000 0.215 160 A C 2.076 179.531 177.584 -0.215 0.000 1.181 160 A CA 1.283 53.149 52.037 -0.286 0.000 0.620 160 A CB -0.508 18.308 19.000 -0.307 0.000 0.821 160 A HN 0.462 nan 8.150 nan 0.000 0.443 161 I N -0.700 119.731 120.570 -0.232 0.000 2.226 161 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 161 I C 2.617 178.684 176.117 -0.083 0.000 1.100 161 I CA 1.806 62.998 61.300 -0.180 0.000 1.374 161 I CB -0.223 37.694 38.000 -0.138 0.000 1.057 161 I HN 0.492 nan 8.210 nan 0.000 0.413 162 E N 0.430 120.608 120.200 -0.037 0.000 2.086 162 E HA -0.159 4.191 4.350 -0.001 0.000 0.190 162 E C 2.273 178.896 176.600 0.038 0.000 0.975 162 E CA 1.365 57.794 56.400 0.048 0.000 0.813 162 E CB 0.163 29.962 29.700 0.166 0.000 0.768 162 E HN 0.475 nan 8.360 nan 0.000 0.457 163 S N -0.063 115.651 115.700 0.023 0.000 2.446 163 S HA -0.041 4.428 4.470 -0.001 0.000 0.225 163 S C 0.814 175.463 174.600 0.082 0.000 1.016 163 S CA 0.821 59.047 58.200 0.043 0.000 0.943 163 S CB -0.031 63.200 63.200 0.051 0.000 0.786 163 S HN 0.333 nan 8.310 nan 0.000 0.508 164 N N -0.489 118.215 118.700 0.008 0.000 2.850 164 N HA -0.115 4.625 4.740 -0.001 0.000 0.249 164 N C -1.210 174.226 175.510 -0.123 0.000 1.060 164 N CA 0.895 53.926 53.050 -0.032 0.000 0.825 164 N CB -1.645 36.883 38.487 0.069 0.000 1.132 164 N HN 0.391 nan 8.380 nan 0.000 0.564 165 V N 0.859 120.683 119.914 -0.150 0.000 2.357 165 V HA 0.429 4.549 4.120 -0.001 0.000 0.284 165 V C -1.952 173.992 176.094 -0.250 0.000 1.018 165 V CA -1.566 60.562 62.300 -0.286 0.000 0.841 165 V CB 1.801 33.379 31.823 -0.409 0.000 0.991 165 V HN -0.096 nan 8.190 nan 0.000 0.437 166 P HA 0.172 nan 4.420 nan 0.000 0.270 166 P C -1.020 175.907 177.300 -0.622 0.000 1.227 166 P CA 0.057 62.711 63.100 -0.743 0.000 0.788 166 P CB 0.397 31.085 31.700 -1.685 0.000 0.926 167 F N 0.689 120.253 119.950 -0.644 0.000 2.551 167 F HA 0.545 5.071 4.527 -0.001 0.000 0.316 167 F C 0.120 175.854 175.800 -0.109 0.000 1.089 167 F CA -0.692 57.116 58.000 -0.319 0.000 0.915 167 F CB 1.731 40.574 39.000 -0.262 0.000 1.186 167 F HN 0.113 nan 8.300 nan 0.000 0.456 168 M N 5.037 124.736 119.600 0.165 0.000 2.181 168 M HA 0.404 4.883 4.480 -0.001 0.000 0.323 168 M C -1.942 174.547 176.300 0.314 0.000 1.004 168 M CA -0.540 54.937 55.300 0.294 0.000 0.941 168 M CB 1.026 33.805 32.600 0.297 0.000 1.579 168 M HN 0.750 nan 8.290 nan 0.000 0.427 169 H N 6.165 125.313 119.070 0.130 0.000 2.511 169 H HA 0.620 5.175 4.556 -0.001 0.000 0.328 169 H C -2.091 173.424 175.328 0.311 0.000 1.044 169 H CA -0.699 55.434 56.048 0.140 0.000 1.212 169 H CB 0.692 30.436 29.762 -0.029 0.000 1.428 169 H HN 0.610 nan 8.280 nan 0.000 0.483 170 F N 4.125 124.055 119.950 -0.034 0.000 2.577 170 F HA 0.741 5.268 4.527 -0.001 0.000 0.318 170 F C -1.961 173.885 175.800 0.076 0.000 1.065 170 F CA -1.536 56.400 58.000 -0.107 0.000 0.929 170 F CB 1.177 40.100 39.000 -0.127 0.000 1.237 170 F HN 0.335 nan 8.300 nan 0.000 0.468 171 F N -1.019 118.950 119.950 0.031 0.000 2.613 171 F HA 0.555 5.082 4.527 -0.001 0.000 0.310 171 F C -1.023 174.897 175.800 0.200 0.000 1.085 171 F CA -1.690 56.336 58.000 0.042 0.000 0.945 171 F CB 0.482 39.486 39.000 0.007 0.000 1.298 171 F HN 0.360 nan 8.300 nan 0.000 0.455 172 D N 1.240 121.831 120.400 0.318 0.000 2.455 172 D HA 0.301 4.940 4.640 -0.001 0.000 0.241 172 D C 0.454 176.849 176.300 0.159 0.000 1.138 172 D CA 0.511 54.647 54.000 0.226 0.000 0.877 172 D CB 1.185 42.120 40.800 0.225 0.000 1.187 172 D HN 0.989 nan 8.370 nan 0.000 0.451 173 G N 1.141 109.999 108.800 0.098 0.000 2.343 173 G HA2 0.282 4.242 3.960 -0.001 0.000 0.254 173 G HA3 0.282 4.242 3.960 -0.001 0.000 0.254 173 G C 0.300 175.383 174.900 0.304 0.000 1.277 173 G CA -0.203 44.938 45.100 0.067 0.000 0.909 173 G HN 0.516 nan 8.290 nan 0.000 0.502 174 F N -0.188 119.860 119.950 0.164 0.000 2.545 174 F HA -0.256 4.271 4.527 -0.001 0.000 0.690 174 F C 2.195 178.267 175.800 0.454 0.000 0.488 174 F CA 1.706 59.843 58.000 0.228 0.000 0.791 174 F CB -0.824 38.277 39.000 0.168 0.000 1.653 174 F HN 0.461 nan 8.300 nan 0.000 0.266 175 R N 0.748 121.555 120.500 0.511 0.000 2.328 175 R HA 0.096 4.436 4.340 -0.001 0.000 0.207 175 R C 1.208 177.682 176.300 0.289 0.000 1.056 175 R CA 1.846 58.131 56.100 0.307 0.000 1.016 175 R CB -0.598 29.800 30.300 0.163 0.000 0.872 175 R HN 0.640 nan 8.270 nan 0.000 0.471 176 T N -2.437 112.340 114.554 0.372 0.000 3.336 176 T HA -0.038 4.312 4.350 -0.001 0.000 0.273 176 T C 1.438 176.398 174.700 0.433 0.000 0.932 176 T CA 0.511 62.828 62.100 0.361 0.000 0.995 176 T CB -0.128 68.977 68.868 0.394 0.000 1.213 176 T HN 0.289 nan 8.240 nan 0.000 0.502 177 S N 1.606 117.635 115.700 0.548 0.000 2.370 177 S HA -0.160 4.309 4.470 -0.001 0.000 0.226 177 S C 1.247 176.054 174.600 0.346 0.000 1.033 177 S CA 1.486 60.020 58.200 0.556 0.000 1.011 177 S CB -0.506 62.906 63.200 0.355 0.000 0.852 177 S HN 0.559 nan 8.310 nan 0.000 0.457 178 H N 1.023 120.229 119.070 0.225 0.000 2.488 178 H HA 0.520 5.075 4.556 -0.001 0.000 0.294 178 H C -0.338 175.185 175.328 0.325 0.000 1.088 178 H CA -0.355 55.838 56.048 0.242 0.000 1.086 178 H CB 0.093 30.019 29.762 0.274 0.000 1.569 178 H HN 0.604 nan 8.280 nan 0.000 0.548 179 E N 1.788 122.212 120.200 0.373 0.000 2.113 179 E HA 0.203 4.552 4.350 -0.001 0.000 0.273 179 E C -0.275 176.442 176.600 0.195 0.000 0.924 179 E CA -0.980 55.614 56.400 0.323 0.000 0.764 179 E CB 0.965 30.828 29.700 0.272 0.000 1.104 179 E HN 0.414 nan 8.360 nan 0.000 0.406 180 I N 2.664 123.337 120.570 0.172 0.000 2.634 180 I HA 0.275 4.445 4.170 -0.001 0.000 0.284 180 I C -0.659 175.503 176.117 0.074 0.000 1.124 180 I CA 0.223 61.595 61.300 0.121 0.000 1.417 180 I CB 0.918 39.008 38.000 0.149 0.000 1.396 180 I HN 0.579 nan 8.210 nan 0.000 0.571 181 Q N 4.748 124.588 119.800 0.066 0.000 2.479 181 Q HA 0.319 4.659 4.340 -0.001 0.000 0.276 181 Q C -1.605 174.437 176.000 0.070 0.000 0.989 181 Q CA -0.766 55.074 55.803 0.060 0.000 0.864 181 Q CB 1.398 30.175 28.738 0.066 0.000 1.444 181 Q HN 0.705 nan 8.270 nan 0.000 0.388 182 K N 4.491 124.948 120.400 0.094 0.000 2.292 182 K HA 0.351 4.670 4.320 -0.001 0.000 0.290 182 K C -0.353 176.302 176.600 0.092 0.000 1.083 182 K CA -0.058 56.276 56.287 0.079 0.000 0.918 182 K CB -0.193 32.348 32.500 0.069 0.000 1.089 182 K HN 0.653 nan 8.250 nan 0.000 0.473 183 I N -0.622 119.970 120.570 0.037 0.000 3.264 183 I HA 0.502 4.671 4.170 -0.001 0.000 0.309 183 I C -0.611 175.481 176.117 -0.041 0.000 1.099 183 I CA -0.946 60.365 61.300 0.018 0.000 0.989 183 I CB 1.978 39.979 38.000 0.002 0.000 1.250 183 I HN 0.377 nan 8.210 nan 0.000 0.478 184 E N 2.717 122.871 120.200 -0.077 0.000 2.155 184 E HA 0.465 4.815 4.350 -0.001 0.000 0.264 184 E C -1.104 175.326 176.600 -0.283 0.000 0.886 184 E CA -0.541 55.786 56.400 -0.121 0.000 0.752 184 E CB 2.085 31.750 29.700 -0.060 0.000 1.133 184 E HN 0.633 nan 8.360 nan 0.000 0.414 185 V N 1.825 121.567 119.914 -0.288 0.000 3.438 185 V HA 0.665 4.784 4.120 -0.001 0.000 0.298 185 V C 0.019 176.056 176.094 -0.096 0.000 1.148 185 V CA -0.879 61.169 62.300 -0.420 0.000 0.994 185 V CB 1.068 32.693 31.823 -0.330 0.000 1.236 185 V HN 0.628 nan 8.190 nan 0.000 0.455 186 L N -0.168 121.224 121.223 0.282 0.000 2.371 186 L HA 0.585 4.925 4.340 -0.001 0.000 0.262 186 L C -1.034 176.040 176.870 0.341 0.000 1.006 186 L CA -0.787 54.230 54.840 0.295 0.000 0.818 186 L CB 2.247 44.506 42.059 0.333 0.000 1.354 186 L HN 0.663 nan 8.230 nan 0.000 0.415 187 D N -0.042 120.475 120.400 0.196 0.000 2.313 187 D HA 0.089 4.728 4.640 -0.001 0.000 0.247 187 D C 0.604 177.046 176.300 0.236 0.000 1.094 187 D CA -0.176 53.918 54.000 0.157 0.000 0.925 187 D CB 0.897 41.736 40.800 0.064 0.000 1.188 187 D HN 0.270 nan 8.370 nan 0.000 0.430 188 Y N 1.035 121.291 120.300 -0.073 0.000 2.207 188 Y HA -0.172 4.377 4.550 -0.001 0.000 0.287 188 Y C 2.338 178.185 175.900 -0.088 0.000 1.156 188 Y CA 0.834 58.868 58.100 -0.110 0.000 1.182 188 Y CB -1.133 37.253 38.460 -0.123 0.000 0.979 188 Y HN 0.483 nan 8.280 nan 0.000 0.521 189 A N 0.055 122.936 122.820 0.101 0.000 1.978 189 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 189 A C 1.854 179.447 177.584 0.014 0.000 1.170 189 A CA 2.038 54.094 52.037 0.031 0.000 0.636 189 A CB -0.627 18.387 19.000 0.023 0.000 0.810 189 A HN 0.360 nan 8.150 nan 0.000 0.448 190 D N -0.786 119.636 120.400 0.037 0.000 2.162 190 D HA -0.036 4.603 4.640 -0.001 0.000 0.203 190 D C 2.002 178.306 176.300 0.006 0.000 0.967 190 D CA 1.121 55.140 54.000 0.032 0.000 0.840 190 D CB -0.305 40.531 40.800 0.060 0.000 0.972 190 D HN 0.455 nan 8.370 nan 0.000 0.482 191 M N 0.479 120.068 119.600 -0.018 0.000 2.086 191 M HA -0.097 4.383 4.480 -0.001 0.000 0.261 191 M C 2.265 178.493 176.300 -0.120 0.000 1.067 191 M CA 1.421 56.666 55.300 -0.091 0.000 1.116 191 M CB -0.203 32.287 32.600 -0.184 0.000 1.348 191 M HN 0.006 nan 8.290 nan 0.000 0.407 192 A N 0.256 122.998 122.820 -0.129 0.000 1.940 192 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 192 A C 2.234 179.762 177.584 -0.093 0.000 1.176 192 A CA 2.202 54.145 52.037 -0.157 0.000 0.631 192 A CB -1.023 17.887 19.000 -0.149 0.000 0.814 192 A HN 0.607 nan 8.150 nan 0.000 0.446 193 S N -1.285 114.387 115.700 -0.047 0.000 2.515 193 S HA 0.045 4.514 4.470 -0.001 0.000 0.231 193 S C 1.254 175.858 174.600 0.007 0.000 0.987 193 S CA 0.949 59.140 58.200 -0.015 0.000 0.936 193 S CB -0.174 63.027 63.200 0.000 0.000 0.766 193 S HN 0.203 nan 8.310 nan 0.000 0.528 194 L N 1.638 122.866 121.223 0.009 0.000 2.585 194 L HA 0.418 4.758 4.340 -0.001 0.000 0.226 194 L C 0.302 177.231 176.870 0.100 0.000 1.113 194 L CA 0.015 54.901 54.840 0.077 0.000 0.876 194 L CB -0.411 41.704 42.059 0.093 0.000 1.072 194 L HN 0.196 nan 8.230 nan 0.000 0.468 195 V N 1.651 121.570 119.914 0.008 0.000 2.479 195 V HA 0.031 4.151 4.120 -0.001 0.000 0.281 195 V C 0.936 177.063 176.094 0.055 0.000 1.031 195 V CA -0.409 61.891 62.300 0.001 0.000 1.038 195 V CB 0.405 32.194 31.823 -0.055 0.000 0.981 195 V HN 0.325 nan 8.190 nan 0.000 0.478 196 N N 5.132 123.889 118.700 0.095 0.000 2.416 196 N HA 0.024 4.764 4.740 -0.001 0.000 0.271 196 N C 1.098 176.652 175.510 0.074 0.000 1.245 196 N CA 0.021 53.127 53.050 0.093 0.000 0.940 196 N CB 1.070 39.629 38.487 0.119 0.000 1.175 196 N HN 0.638 nan 8.380 nan 0.000 0.483 197 Q N 3.314 123.153 119.800 0.065 0.000 2.187 197 Q HA -0.095 4.245 4.340 -0.001 0.000 0.199 197 Q C 1.007 177.053 176.000 0.077 0.000 0.957 197 Q CA 1.183 57.031 55.803 0.075 0.000 0.857 197 Q CB 0.009 28.782 28.738 0.060 0.000 0.929 197 Q HN 0.516 nan 8.270 nan 0.000 0.453 198 K N 1.401 121.838 120.400 0.062 0.000 2.148 198 K HA -0.035 4.284 4.320 -0.001 0.000 0.204 198 K C 2.024 178.667 176.600 0.072 0.000 1.050 198 K CA 1.290 57.610 56.287 0.056 0.000 0.942 198 K CB -0.340 32.184 32.500 0.039 0.000 0.724 198 K HN 0.174 nan 8.250 nan 0.000 0.446 199 A N 0.819 123.687 122.820 0.079 0.000 1.898 199 A HA -0.024 4.296 4.320 -0.001 0.000 0.214 199 A C 2.073 179.740 177.584 0.137 0.000 1.183 199 A CA 0.884 52.977 52.037 0.094 0.000 0.622 199 A CB -0.456 18.590 19.000 0.076 0.000 0.824 199 A HN 0.228 nan 8.150 nan 0.000 0.444 200 L N -0.262 121.047 121.223 0.143 0.000 2.141 200 L HA 0.079 4.418 4.340 -0.001 0.000 0.209 200 L C 2.447 179.450 176.870 0.223 0.000 1.094 200 L CA 1.987 56.956 54.840 0.216 0.000 0.763 200 L CB -0.662 41.522 42.059 0.207 0.000 0.908 200 L HN 0.300 nan 8.230 nan 0.000 0.437 201 A N -1.168 121.738 122.820 0.145 0.000 2.066 201 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 201 A C 2.110 179.744 177.584 0.084 0.000 1.157 201 A CA 1.261 53.359 52.037 0.101 0.000 0.670 201 A CB -0.409 18.633 19.000 0.071 0.000 0.804 201 A HN 0.598 nan 8.150 nan 0.000 0.453 202 E N -1.355 118.913 120.200 0.114 0.000 2.170 202 E HA -0.051 4.298 4.350 -0.001 0.000 0.191 202 E C 1.627 178.312 176.600 0.142 0.000 0.981 202 E CA 0.700 57.160 56.400 0.101 0.000 0.830 202 E CB -0.203 29.556 29.700 0.098 0.000 0.775 202 E HN 0.672 nan 8.360 nan 0.000 0.470 203 F N 2.319 122.293 119.950 0.040 0.000 2.126 203 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 203 F C 2.092 177.917 175.800 0.041 0.000 1.096 203 F CA 1.398 59.422 58.000 0.039 0.000 1.255 203 F CB -0.087 38.938 39.000 0.041 0.000 0.997 203 F HN -0.221 nan 8.300 nan 0.000 0.479 204 R N 0.451 120.846 120.500 -0.175 0.000 2.091 204 R HA -0.061 4.279 4.340 -0.001 0.000 0.238 204 R C 2.455 178.682 176.300 -0.121 0.000 1.136 204 R CA 1.624 57.575 56.100 -0.249 0.000 0.959 204 R CB -1.035 29.211 30.300 -0.089 0.000 0.856 204 R HN 0.409 nan 8.270 nan 0.000 0.437 205 A N 0.652 123.448 122.820 -0.039 0.000 2.021 205 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 205 A C 1.853 179.463 177.584 0.043 0.000 1.163 205 A CA 1.216 53.254 52.037 0.003 0.000 0.676 205 A CB -0.333 18.644 19.000 -0.039 0.000 0.818 205 A HN 0.358 nan 8.150 nan 0.000 0.453 206 K N 0.057 120.457 120.400 -0.001 0.000 2.365 206 K HA 0.053 4.373 4.320 -0.001 0.000 0.199 206 K C 0.532 177.106 176.600 -0.043 0.000 1.045 206 K CA 0.876 57.148 56.287 -0.025 0.000 0.962 206 K CB -0.150 32.363 32.500 0.021 0.000 0.759 206 K HN 0.277 nan 8.250 nan 0.000 0.469 207 S N 1.040 116.715 115.700 -0.042 0.000 2.596 207 S HA 0.111 4.581 4.470 -0.001 0.000 0.260 207 S C 0.261 174.911 174.600 0.084 0.000 1.336 207 S CA -0.501 57.681 58.200 -0.029 0.000 0.993 207 S CB 0.426 63.504 63.200 -0.203 0.000 0.923 207 S HN 0.228 nan 8.310 nan 0.000 0.567 208 M N 2.691 122.330 119.600 0.064 0.000 2.238 208 M HA 0.216 4.696 4.480 -0.001 0.000 0.347 208 M C 0.242 176.443 176.300 -0.166 0.000 1.173 208 M CA 0.513 55.799 55.300 -0.023 0.000 1.147 208 M CB 0.191 32.730 32.600 -0.101 0.000 1.547 208 M HN 0.539 nan 8.290 nan 0.000 0.455 209 N N 2.594 121.124 118.700 -0.282 0.000 3.186 209 N HA 0.172 4.911 4.740 -0.001 0.000 0.230 209 N C -2.674 172.654 175.510 -0.303 0.000 1.062 209 N CA -0.807 52.043 53.050 -0.334 0.000 1.084 209 N CB 2.080 40.242 38.487 -0.542 0.000 1.662 209 N HN 0.165 nan 8.380 nan 0.000 0.627 210 P HA 0.014 nan 4.420 nan 0.000 0.228 210 P C 0.635 177.898 177.300 -0.062 0.000 1.151 210 P CA 0.920 63.958 63.100 -0.103 0.000 0.770 210 P CB 0.534 32.193 31.700 -0.069 0.000 0.786 211 E N -0.661 119.508 120.200 -0.052 0.000 2.216 211 E HA -0.091 4.258 4.350 -0.001 0.000 0.192 211 E C 0.576 177.266 176.600 0.150 0.000 0.988 211 E CA 0.640 57.081 56.400 0.067 0.000 0.834 211 E CB -0.036 29.754 29.700 0.149 0.000 0.772 211 E HN 0.451 nan 8.360 nan 0.000 0.479 212 H N -1.931 117.148 119.070 0.014 0.000 2.750 212 H HA 0.316 4.872 4.556 -0.001 0.000 0.261 212 H C -2.915 172.451 175.328 0.064 0.000 1.387 212 H CA -2.119 53.946 56.048 0.028 0.000 1.557 212 H CB 0.093 29.867 29.762 0.019 0.000 1.756 212 H HN -0.047 nan 8.280 nan 0.000 0.580 213 P HA 0.237 nan 4.420 nan 0.000 0.276 213 P C -0.329 177.044 177.300 0.123 0.000 1.261 213 P CA 0.165 63.261 63.100 -0.007 0.000 0.800 213 P CB 1.889 33.562 31.700 -0.045 0.000 1.066 214 H N -1.858 117.192 119.070 -0.033 0.000 3.037 214 H HA 0.415 4.970 4.556 -0.001 0.000 0.336 214 H C -1.908 173.412 175.328 -0.013 0.000 1.323 214 H CA -0.943 55.100 56.048 -0.008 0.000 1.159 214 H CB 1.086 30.852 29.762 0.007 0.000 1.882 214 H HN 0.311 nan 8.280 nan 0.000 0.535 215 V N 2.700 122.608 119.914 -0.011 0.000 2.459 215 V HA 0.656 4.775 4.120 -0.001 0.000 0.295 215 V C -0.251 175.859 176.094 0.027 0.000 1.029 215 V CA -0.574 61.681 62.300 -0.075 0.000 0.874 215 V CB 1.184 32.991 31.823 -0.026 0.000 0.985 215 V HN 1.027 nan 8.190 nan 0.000 0.438 216 R N 4.512 125.001 120.500 -0.018 0.000 2.854 216 R HA 0.853 5.192 4.340 -0.001 0.000 0.271 216 R C 0.588 176.918 176.300 0.051 0.000 0.994 216 R CA -0.226 55.916 56.100 0.070 0.000 0.945 216 R CB 1.794 32.162 30.300 0.114 0.000 1.194 216 R HN 1.623 nan 8.270 nan 0.000 0.476 217 G N 0.370 109.218 108.800 0.080 0.000 2.234 217 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.235 217 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.235 217 G C 0.347 175.287 174.900 0.066 0.000 0.997 217 G CA 0.256 45.403 45.100 0.079 0.000 0.623 217 G HN 1.200 nan 8.290 nan 0.000 0.514 218 T N -0.330 114.258 114.554 0.057 0.000 2.819 218 T HA 0.339 4.689 4.350 -0.001 0.000 0.320 218 T C 0.570 175.310 174.700 0.066 0.000 1.044 218 T CA 1.154 63.286 62.100 0.054 0.000 1.135 218 T CB 0.810 69.712 68.868 0.056 0.000 1.089 218 T HN 2.069 nan 8.240 nan 0.000 0.502 219 A N 3.820 126.673 122.820 0.054 0.000 2.260 219 A HA 0.546 4.866 4.320 -0.001 0.000 0.308 219 A C 0.241 177.868 177.584 0.071 0.000 1.254 219 A CA -0.819 51.251 52.037 0.055 0.000 0.874 219 A CB 0.564 19.580 19.000 0.028 0.000 1.153 219 A HN 0.899 nan 8.150 nan 0.000 0.527 220 Q N 2.032 121.899 119.800 0.111 0.000 2.345 220 Q HA 0.331 4.671 4.340 -0.001 0.000 0.268 220 Q C -0.574 175.489 176.000 0.105 0.000 1.054 220 Q CA -0.778 55.106 55.803 0.135 0.000 0.835 220 Q CB 1.861 30.728 28.738 0.215 0.000 1.339 220 Q HN 0.879 nan 8.270 nan 0.000 0.447 221 N N 1.053 119.804 118.700 0.085 0.000 2.385 221 N HA 0.162 4.902 4.740 -0.001 0.000 0.291 221 N C -1.823 173.735 175.510 0.080 0.000 1.298 221 N CA -0.931 52.151 53.050 0.052 0.000 0.955 221 N CB 0.151 38.661 38.487 0.039 0.000 1.096 221 N HN 0.324 nan 8.380 nan 0.000 0.543 222 P HA 0.035 nan 4.420 nan 0.000 0.230 222 P C -0.097 177.276 177.300 0.122 0.000 1.168 222 P CA 0.585 63.738 63.100 0.089 0.000 0.793 222 P CB 0.124 31.852 31.700 0.048 0.000 0.851 223 D N 0.757 121.211 120.400 0.090 0.000 2.178 223 D HA -0.176 4.464 4.640 -0.001 0.000 0.201 223 D C 1.583 177.935 176.300 0.087 0.000 0.980 223 D CA 1.374 55.420 54.000 0.077 0.000 0.842 223 D CB -1.062 39.769 40.800 0.053 0.000 0.948 223 D HN 0.339 nan 8.370 nan 0.000 0.472 224 I N -5.099 115.537 120.570 0.109 0.000 4.327 224 I HA 0.302 4.471 4.170 -0.001 0.000 0.331 224 I C 1.767 177.968 176.117 0.140 0.000 1.348 224 I CA -0.744 60.615 61.300 0.098 0.000 1.152 224 I CB -0.073 37.968 38.000 0.067 0.000 1.151 224 I HN -0.185 nan 8.210 nan 0.000 0.410 225 Y N 1.888 122.237 120.300 0.082 0.000 2.070 225 Y HA -0.262 4.287 4.550 -0.001 0.000 0.279 225 Y C 2.399 178.402 175.900 0.172 0.000 1.134 225 Y CA 2.282 60.438 58.100 0.094 0.000 1.113 225 Y CB -0.440 38.059 38.460 0.066 0.000 0.981 225 Y HN 0.207 nan 8.280 nan 0.000 0.487 226 F N 1.598 121.648 119.950 0.167 0.000 2.111 226 F HA -0.366 4.161 4.527 -0.001 0.000 0.300 226 F C 2.104 177.875 175.800 -0.048 0.000 1.088 226 F CA 2.313 60.347 58.000 0.057 0.000 1.243 226 F CB -1.062 37.991 39.000 0.089 0.000 0.996 226 F HN 0.284 nan 8.300 nan 0.000 0.483 227 Q N -0.445 119.375 119.800 0.032 0.000 1.967 227 Q HA -0.056 4.283 4.340 -0.001 0.000 0.202 227 Q C 2.601 178.568 176.000 -0.055 0.000 0.985 227 Q CA 1.860 57.612 55.803 -0.085 0.000 0.839 227 Q CB -1.315 27.383 28.738 -0.066 0.000 0.906 227 Q HN 0.459 nan 8.270 nan 0.000 0.423 228 G N 0.328 109.092 108.800 -0.060 0.000 2.532 228 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.222 228 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.222 228 G C 1.514 176.341 174.900 -0.123 0.000 1.102 228 G CA 1.074 46.124 45.100 -0.083 0.000 0.742 228 G HN 0.115 nan 8.290 nan 0.000 0.577 229 R N 0.380 120.779 120.500 -0.168 0.000 2.093 229 R HA 0.066 4.405 4.340 -0.001 0.000 0.224 229 R C 2.197 178.478 176.300 -0.031 0.000 1.101 229 R CA 1.026 57.032 56.100 -0.157 0.000 0.979 229 R CB -0.139 30.042 30.300 -0.199 0.000 0.877 229 R HN 0.232 nan 8.270 nan 0.000 0.441 230 E N -0.102 120.106 120.200 0.014 0.000 2.435 230 E HA 0.042 4.392 4.350 -0.001 0.000 0.195 230 E C 1.461 178.073 176.600 0.020 0.000 1.029 230 E CA 0.706 57.120 56.400 0.024 0.000 0.865 230 E CB 0.274 29.977 29.700 0.004 0.000 0.833 230 E HN 0.402 nan 8.360 nan 0.000 0.510 231 A N 1.166 123.989 122.820 0.006 0.000 2.178 231 A HA -0.034 4.285 4.320 -0.001 0.000 0.218 231 A C 2.148 179.781 177.584 0.081 0.000 1.157 231 A CA 1.429 53.485 52.037 0.031 0.000 0.689 231 A CB -0.181 18.824 19.000 0.008 0.000 0.787 231 A HN 0.196 nan 8.150 nan 0.000 0.465 232 A N -0.406 122.464 122.820 0.084 0.000 2.275 232 A HA 0.091 4.410 4.320 -0.001 0.000 0.212 232 A C 1.458 179.255 177.584 0.355 0.000 1.201 232 A CA 0.500 52.633 52.037 0.160 0.000 0.843 232 A CB -0.614 18.453 19.000 0.111 0.000 0.873 232 A HN 0.692 nan 8.150 nan 0.000 0.492 233 N N 1.156 119.997 118.700 0.235 0.000 2.021 233 N HA -0.193 4.547 4.740 -0.001 0.000 0.198 233 N C -1.076 174.592 175.510 0.264 0.000 1.041 233 N CA 1.763 54.948 53.050 0.224 0.000 0.862 233 N CB -1.030 37.527 38.487 0.117 0.000 1.048 233 N HN 0.308 nan 8.380 nan 0.000 0.427 234 P HA -0.190 nan 4.420 nan 0.000 0.217 234 P C 0.622 177.943 177.300 0.035 0.000 1.151 234 P CA 1.319 64.470 63.100 0.086 0.000 0.849 234 P CB -0.093 31.615 31.700 0.014 0.000 0.787 235 Y N -2.419 117.922 120.300 0.068 0.000 2.133 235 Y HA -0.171 4.378 4.550 -0.001 0.000 0.287 235 Y C 2.350 178.213 175.900 -0.062 0.000 1.134 235 Y CA 1.353 59.441 58.100 -0.020 0.000 1.133 235 Y CB -1.620 36.789 38.460 -0.084 0.000 0.987 235 Y HN -0.024 nan 8.280 nan 0.000 0.502 236 Y N -0.545 119.862 120.300 0.180 0.000 2.497 236 Y HA -0.140 4.410 4.550 -0.001 0.000 0.292 236 Y C 2.073 178.012 175.900 0.066 0.000 1.137 236 Y CA 0.825 58.981 58.100 0.093 0.000 1.285 236 Y CB -0.647 37.850 38.460 0.063 0.000 0.991 236 Y HN 0.104 nan 8.280 nan 0.000 0.556 237 L N -0.501 120.833 121.223 0.185 0.000 2.109 237 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 237 L C 1.856 178.762 176.870 0.059 0.000 1.086 237 L CA 1.427 56.331 54.840 0.107 0.000 0.760 237 L CB -0.241 41.864 42.059 0.075 0.000 0.910 237 L HN 0.030 nan 8.230 nan 0.000 0.437 238 K N -0.946 119.468 120.400 0.023 0.000 2.400 238 K HA 0.003 4.323 4.320 -0.001 0.000 0.194 238 K C 1.836 178.447 176.600 0.017 0.000 1.033 238 K CA 0.154 56.437 56.287 -0.006 0.000 1.021 238 K CB 0.253 32.711 32.500 -0.070 0.000 0.808 238 K HN 0.034 nan 8.250 nan 0.000 0.505 239 V N 1.907 121.838 119.914 0.028 0.000 2.594 239 V HA -0.094 4.025 4.120 -0.001 0.000 0.253 239 V C -1.288 174.874 176.094 0.113 0.000 1.069 239 V CA 1.413 63.752 62.300 0.064 0.000 1.082 239 V CB -0.269 31.559 31.823 0.008 0.000 0.680 239 V HN 0.158 nan 8.190 nan 0.000 0.469 240 P HA 0.031 nan 4.420 nan 0.000 0.215 240 P C 1.756 179.105 177.300 0.082 0.000 1.157 240 P CA 1.652 64.811 63.100 0.098 0.000 0.856 240 P CB -0.452 31.301 31.700 0.087 0.000 0.786 241 G N 0.034 108.866 108.800 0.054 0.000 2.422 241 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 241 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 241 G C 1.536 176.446 174.900 0.016 0.000 1.146 241 G CA 0.519 45.635 45.100 0.027 0.000 0.769 241 G HN 0.207 nan 8.290 nan 0.000 0.547 242 I N 0.365 120.956 120.570 0.034 0.000 2.286 242 I HA -0.152 4.018 4.170 -0.001 0.000 0.248 242 I C 2.698 178.891 176.117 0.126 0.000 1.115 242 I CA 0.508 61.837 61.300 0.048 0.000 1.392 242 I CB -0.201 37.854 38.000 0.091 0.000 1.065 242 I HN 0.041 nan 8.210 nan 0.000 0.418 243 V N 0.986 120.984 119.914 0.141 0.000 2.379 243 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 243 V C 2.714 178.880 176.094 0.120 0.000 1.044 243 V CA 1.875 64.267 62.300 0.153 0.000 1.036 243 V CB -0.789 31.147 31.823 0.188 0.000 0.664 243 V HN 0.469 nan 8.190 nan 0.000 0.453 244 A N -0.278 122.592 122.820 0.083 0.000 1.933 244 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 244 A C 2.279 179.878 177.584 0.025 0.000 1.175 244 A CA 1.954 54.029 52.037 0.063 0.000 0.628 244 A CB -0.508 18.522 19.000 0.051 0.000 0.814 244 A HN 0.651 nan 8.150 nan 0.000 0.444 245 E N -1.444 118.731 120.200 -0.041 0.000 2.085 245 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 245 E C 1.664 178.146 176.600 -0.197 0.000 0.994 245 E CA 1.562 57.861 56.400 -0.169 0.000 0.801 245 E CB -0.275 29.230 29.700 -0.325 0.000 0.743 245 E HN 0.711 nan 8.360 nan 0.000 0.453 246 Y N -0.022 120.270 120.300 -0.014 0.000 2.337 246 Y HA 0.033 4.583 4.550 -0.001 0.000 0.293 246 Y C 2.280 178.186 175.900 0.011 0.000 1.123 246 Y CA 0.887 58.974 58.100 -0.022 0.000 1.201 246 Y CB -0.072 38.345 38.460 -0.071 0.000 1.011 246 Y HN 0.063 nan 8.280 nan 0.000 0.545 247 M N -0.744 118.962 119.600 0.177 0.000 2.213 247 M HA -0.260 4.220 4.480 -0.001 0.000 0.263 247 M C 1.894 178.288 176.300 0.155 0.000 1.062 247 M CA 1.645 57.059 55.300 0.190 0.000 1.105 247 M CB -0.250 32.471 32.600 0.201 0.000 1.385 247 M HN 0.245 nan 8.290 nan 0.000 0.417 248 Q N 0.200 120.055 119.800 0.092 0.000 2.083 248 Q HA -0.089 4.251 4.340 -0.001 0.000 0.198 248 Q C 1.956 177.983 176.000 0.045 0.000 0.969 248 Q CA 1.343 57.175 55.803 0.048 0.000 0.838 248 Q CB 0.140 28.883 28.738 0.009 0.000 0.900 248 Q HN 0.385 nan 8.270 nan 0.000 0.436 249 K N -0.375 120.053 120.400 0.046 0.000 2.002 249 K HA -0.119 4.200 4.320 -0.001 0.000 0.209 249 K C 2.037 178.692 176.600 0.091 0.000 1.048 249 K CA 1.483 57.805 56.287 0.058 0.000 0.930 249 K CB -0.230 32.318 32.500 0.080 0.000 0.714 249 K HN 0.026 nan 8.250 nan 0.000 0.438 250 V N 1.545 121.538 119.914 0.130 0.000 2.392 250 V HA -0.284 3.835 4.120 -0.001 0.000 0.249 250 V C 2.337 178.499 176.094 0.113 0.000 1.059 250 V CA 2.084 64.461 62.300 0.129 0.000 1.051 250 V CB -0.731 31.182 31.823 0.149 0.000 0.658 250 V HN 0.391 nan 8.190 nan 0.000 0.455 251 A N -0.708 122.172 122.820 0.100 0.000 1.972 251 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 251 A C 2.549 180.155 177.584 0.037 0.000 1.169 251 A CA 2.018 54.087 52.037 0.053 0.000 0.635 251 A CB -0.701 18.309 19.000 0.017 0.000 0.810 251 A HN 0.513 nan 8.150 nan 0.000 0.446 252 S N -0.367 115.357 115.700 0.041 0.000 2.370 252 S HA -0.124 4.346 4.470 -0.001 0.000 0.226 252 S C 1.817 176.438 174.600 0.034 0.000 1.033 252 S CA 1.669 59.887 58.200 0.029 0.000 1.011 252 S CB -0.426 62.790 63.200 0.026 0.000 0.852 252 S HN 0.507 nan 8.310 nan 0.000 0.457 253 L N 0.717 121.970 121.223 0.049 0.000 2.270 253 L HA 0.086 4.425 4.340 -0.001 0.000 0.210 253 L C 2.815 179.716 176.870 0.053 0.000 1.104 253 L CA 1.315 56.185 54.840 0.050 0.000 0.804 253 L CB -0.601 41.496 42.059 0.064 0.000 0.937 253 L HN 0.508 nan 8.230 nan 0.000 0.450 254 T N -4.500 110.092 114.554 0.062 0.000 3.033 254 T HA 0.262 4.612 4.350 -0.001 0.000 0.248 254 T C 1.594 176.314 174.700 0.033 0.000 1.040 254 T CA 0.735 62.871 62.100 0.060 0.000 1.133 254 T CB 0.710 69.638 68.868 0.101 0.000 0.895 254 T HN 0.357 nan 8.240 nan 0.000 0.465 255 G N 1.665 110.475 108.800 0.017 0.000 2.213 255 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.236 255 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.236 255 G C 0.210 175.086 174.900 -0.041 0.000 0.991 255 G CA -0.180 44.916 45.100 -0.005 0.000 0.629 255 G HN 0.667 nan 8.290 nan 0.000 0.517 256 R N 1.244 121.714 120.500 -0.049 0.000 2.204 256 R HA 0.550 4.889 4.340 -0.001 0.000 0.341 256 R C -0.340 175.757 176.300 -0.339 0.000 1.035 256 R CA -0.058 55.941 56.100 -0.168 0.000 0.887 256 R CB 1.234 31.499 30.300 -0.057 0.000 1.114 256 R HN 0.156 nan 8.270 nan 0.000 0.473 257 S N 2.366 117.816 115.700 -0.416 0.000 2.541 257 S HA 0.494 4.963 4.470 -0.001 0.000 0.283 257 S C -1.094 173.141 174.600 -0.608 0.000 1.196 257 S CA -0.313 57.667 58.200 -0.367 0.000 1.062 257 S CB 0.537 63.642 63.200 -0.159 0.000 1.009 257 S HN 0.312 nan 8.310 nan 0.000 0.502 258 Y N 1.055 121.381 120.300 0.042 0.000 2.581 258 Y HA 0.567 5.116 4.550 -0.001 0.000 0.345 258 Y C 0.197 176.123 175.900 0.045 0.000 1.036 258 Y CA -0.968 57.157 58.100 0.042 0.000 1.042 258 Y CB 1.579 40.061 38.460 0.036 0.000 1.289 258 Y HN 0.434 nan 8.280 nan 0.000 0.471 259 K N 0.699 121.238 120.400 0.231 0.000 2.443 259 K HA 0.365 4.684 4.320 -0.001 0.000 0.251 259 K C -0.090 176.592 176.600 0.136 0.000 0.972 259 K CA -0.829 55.553 56.287 0.158 0.000 0.833 259 K CB 2.141 34.726 32.500 0.141 0.000 1.317 259 K HN 0.371 nan 8.250 nan 0.000 0.441 260 L N 0.926 122.221 121.223 0.120 0.000 2.043 260 L HA -0.064 4.275 4.340 -0.001 0.000 0.212 260 L C 0.186 176.997 176.870 -0.097 0.000 1.075 260 L CA 1.840 56.707 54.840 0.044 0.000 0.752 260 L CB -0.383 41.765 42.059 0.147 0.000 0.891 260 L HN 0.427 nan 8.230 nan 0.000 0.432 261 F N -1.614 118.356 119.950 0.034 0.000 2.569 261 F HA 0.402 4.928 4.527 -0.001 0.000 0.312 261 F C -0.203 175.628 175.800 0.051 0.000 1.109 261 F CA -1.311 56.712 58.000 0.038 0.000 0.919 261 F CB 1.633 40.619 39.000 -0.023 0.000 1.211 261 F HN -0.259 nan 8.300 nan 0.000 0.446 262 D N 1.600 122.153 120.400 0.255 0.000 2.649 262 D HA 0.166 4.805 4.640 -0.001 0.000 0.249 262 D C -1.499 174.928 176.300 0.212 0.000 1.112 262 D CA -0.363 53.757 54.000 0.201 0.000 0.850 262 D CB 2.581 43.481 40.800 0.166 0.000 1.399 262 D HN 0.416 nan 8.370 nan 0.000 0.503 263 Y N 1.832 122.172 120.300 0.066 0.000 2.310 263 Y HA 0.453 5.002 4.550 -0.001 0.000 0.326 263 Y C -0.726 175.213 175.900 0.066 0.000 1.151 263 Y CA -0.125 58.009 58.100 0.057 0.000 1.195 263 Y CB 0.957 39.433 38.460 0.027 0.000 1.210 263 Y HN 0.076 nan 8.280 nan 0.000 0.483 264 V N 4.565 124.047 119.914 -0.721 0.000 2.888 264 V HA 0.846 4.965 4.120 -0.001 0.000 0.309 264 V C 0.019 175.666 176.094 -0.745 0.000 1.114 264 V CA -0.131 61.889 62.300 -0.467 0.000 0.940 264 V CB 1.365 33.073 31.823 -0.190 0.000 1.021 264 V HN 1.205 nan 8.190 nan 0.000 0.426 265 G N 2.732 111.315 108.800 -0.362 0.000 2.409 265 G HA2 0.437 4.396 3.960 -0.001 0.000 0.421 265 G HA3 0.437 4.396 3.960 -0.001 0.000 0.421 265 G C -0.187 174.723 174.900 0.017 0.000 1.259 265 G CA -0.040 44.940 45.100 -0.200 0.000 1.011 265 G HN 1.756 nan 8.290 nan 0.000 0.497 266 A N 0.347 123.233 122.820 0.109 0.000 2.477 266 A HA 0.637 4.956 4.320 -0.001 0.000 0.246 266 A C -0.606 177.144 177.584 0.278 0.000 1.078 266 A CA 0.245 52.380 52.037 0.163 0.000 0.770 266 A CB 0.272 19.333 19.000 0.102 0.000 1.011 266 A HN 0.452 nan 8.150 nan 0.000 0.494 267 P HA -0.084 nan 4.420 nan 0.000 0.221 267 P C 0.200 177.539 177.300 0.064 0.000 1.150 267 P CA 1.498 64.672 63.100 0.124 0.000 0.800 267 P CB 0.176 31.924 31.700 0.080 0.000 0.787 268 D N -1.672 118.773 120.400 0.074 0.000 2.643 268 D HA 0.226 4.866 4.640 -0.001 0.000 0.244 268 D C 0.064 176.407 176.300 0.072 0.000 1.257 268 D CA -0.746 53.286 54.000 0.053 0.000 0.831 268 D CB -0.702 40.121 40.800 0.040 0.000 1.043 268 D HN -0.068 nan 8.370 nan 0.000 0.488 269 A N 0.452 123.341 122.820 0.115 0.000 2.498 269 A HA 0.187 4.506 4.320 -0.001 0.000 0.239 269 A C 0.936 178.589 177.584 0.114 0.000 1.068 269 A CA -0.128 51.989 52.037 0.134 0.000 0.766 269 A CB 0.456 19.599 19.000 0.237 0.000 1.003 269 A HN 0.260 nan 8.150 nan 0.000 0.497 270 E N 0.835 121.096 120.200 0.102 0.000 2.340 270 E HA 0.028 4.378 4.350 -0.001 0.000 0.198 270 E C -0.053 176.622 176.600 0.125 0.000 0.961 270 E CA 0.351 56.808 56.400 0.095 0.000 0.905 270 E CB 0.305 30.048 29.700 0.070 0.000 0.884 270 E HN 0.658 nan 8.360 nan 0.000 0.491 271 R N 1.473 122.068 120.500 0.159 0.000 2.320 271 R HA 0.397 4.736 4.340 -0.001 0.000 0.319 271 R C -1.051 175.435 176.300 0.309 0.000 0.969 271 R CA -0.332 55.900 56.100 0.219 0.000 0.857 271 R CB 2.007 32.458 30.300 0.252 0.000 1.160 271 R HN -0.134 nan 8.270 nan 0.000 0.491 272 V N 4.522 124.611 119.914 0.290 0.000 2.769 272 V HA 0.529 4.649 4.120 -0.001 0.000 0.312 272 V C 0.213 176.477 176.094 0.283 0.000 1.058 272 V CA -0.822 61.683 62.300 0.341 0.000 0.952 272 V CB 2.323 34.353 31.823 0.346 0.000 1.019 272 V HN 0.630 nan 8.190 nan 0.000 0.445 273 I N 2.255 122.982 120.570 0.262 0.000 2.569 273 I HA 0.497 4.667 4.170 -0.001 0.000 0.296 273 I C -1.047 175.203 176.117 0.221 0.000 1.028 273 I CA -0.829 60.569 61.300 0.162 0.000 1.082 273 I CB 2.401 40.417 38.000 0.027 0.000 1.264 273 I HN 0.271 nan 8.210 nan 0.000 0.429 274 V N 4.964 125.019 119.914 0.237 0.000 2.357 274 V HA 0.428 4.547 4.120 -0.001 0.000 0.284 274 V C -0.102 176.134 176.094 0.236 0.000 1.018 274 V CA -0.155 62.330 62.300 0.309 0.000 0.841 274 V CB 1.380 33.459 31.823 0.427 0.000 0.991 274 V HN 0.774 nan 8.190 nan 0.000 0.437 275 S N 4.722 120.552 115.700 0.216 0.000 2.740 275 S HA 0.924 5.393 4.470 -0.001 0.000 0.300 275 S C -0.932 173.799 174.600 0.218 0.000 1.147 275 S CA -0.704 57.592 58.200 0.160 0.000 0.871 275 S CB 1.869 65.096 63.200 0.045 0.000 1.173 275 S HN 0.763 nan 8.310 nan 0.000 0.510 276 M N 1.584 121.328 119.600 0.240 0.000 2.325 276 M HA 0.571 5.051 4.480 -0.001 0.000 0.285 276 M C -0.461 176.035 176.300 0.327 0.000 1.119 276 M CA 0.616 56.054 55.300 0.230 0.000 0.959 276 M CB 1.123 33.839 32.600 0.194 0.000 1.737 276 M HN 1.165 nan 8.290 nan 0.000 0.486 277 G N 1.990 110.921 108.800 0.218 0.000 2.582 277 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.222 277 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.222 277 G C 0.130 175.171 174.900 0.234 0.000 1.311 277 G CA 0.048 45.322 45.100 0.291 0.000 0.915 277 G HN 1.450 nan 8.290 nan 0.000 0.528 278 S N -0.466 115.381 115.700 0.245 0.000 2.547 278 S HA 0.015 4.485 4.470 -0.001 0.000 0.235 278 S C 2.343 177.084 174.600 0.236 0.000 0.980 278 S CA 1.842 60.170 58.200 0.214 0.000 0.941 278 S CB -0.375 62.946 63.200 0.201 0.000 0.763 278 S HN 1.800 nan 8.310 nan 0.000 0.532 279 S N 1.454 117.309 115.700 0.259 0.000 2.382 279 S HA -0.149 4.321 4.470 -0.001 0.000 0.228 279 S C 1.990 176.746 174.600 0.260 0.000 1.027 279 S CA 1.009 59.384 58.200 0.292 0.000 0.991 279 S CB -1.356 61.752 63.200 -0.153 0.000 0.823 279 S HN 0.712 nan 8.310 nan 0.000 0.469 280 C N 2.301 121.711 119.300 0.183 0.000 2.391 280 C HA -0.090 4.369 4.460 -0.001 0.000 0.276 280 C C 2.923 178.001 174.990 0.148 0.000 1.217 280 C CA 0.862 59.974 59.018 0.156 0.000 1.766 280 C CB -1.225 26.597 27.740 0.137 0.000 2.046 280 C HN 0.554 nan 8.230 nan 0.000 0.475 281 E N 0.524 120.813 120.200 0.148 0.000 2.038 281 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 281 E C 2.209 178.891 176.600 0.137 0.000 1.000 281 E CA 1.837 58.310 56.400 0.123 0.000 0.803 281 E CB -1.075 28.691 29.700 0.110 0.000 0.750 281 E HN 0.592 nan 8.360 nan 0.000 0.448 282 T N 1.742 116.404 114.554 0.180 0.000 2.788 282 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 282 T C 2.125 176.880 174.700 0.092 0.000 1.044 282 T CA 0.890 63.095 62.100 0.175 0.000 1.139 282 T CB -0.223 68.748 68.868 0.171 0.000 0.867 282 T HN 0.095 nan 8.240 nan 0.000 0.454 283 I N 0.834 121.481 120.570 0.129 0.000 2.226 283 I HA -0.151 4.018 4.170 -0.001 0.000 0.245 283 I C 2.663 178.859 176.117 0.131 0.000 1.100 283 I CA 1.332 62.711 61.300 0.132 0.000 1.374 283 I CB -0.329 37.782 38.000 0.185 0.000 1.057 283 I HN 0.304 nan 8.210 nan 0.000 0.413 284 E N 1.271 121.537 120.200 0.109 0.000 2.077 284 E HA -0.308 4.041 4.350 -0.001 0.000 0.193 284 E C 2.118 178.763 176.600 0.075 0.000 0.989 284 E CA 1.508 57.953 56.400 0.075 0.000 0.800 284 E CB -0.044 29.690 29.700 0.057 0.000 0.746 284 E HN 0.472 nan 8.360 nan 0.000 0.452 285 E N -0.319 119.934 120.200 0.090 0.000 2.153 285 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 285 E C 1.878 178.545 176.600 0.111 0.000 0.988 285 E CA 1.370 57.828 56.400 0.097 0.000 0.811 285 E CB 0.179 29.958 29.700 0.131 0.000 0.746 285 E HN 0.208 nan 8.360 nan 0.000 0.466 286 V N 0.984 120.964 119.914 0.110 0.000 2.649 286 V HA -0.164 3.956 4.120 -0.001 0.000 0.248 286 V C 2.310 178.488 176.094 0.140 0.000 1.054 286 V CA 0.981 63.365 62.300 0.140 0.000 1.073 286 V CB -0.272 31.620 31.823 0.114 0.000 0.699 286 V HN 0.345 nan 8.190 nan 0.000 0.463 287 I N 0.970 121.598 120.570 0.096 0.000 2.118 287 I HA -0.339 3.831 4.170 -0.001 0.000 0.241 287 I C 2.276 178.415 176.117 0.037 0.000 1.070 287 I CA 2.277 63.595 61.300 0.029 0.000 1.327 287 I CB -0.588 37.429 38.000 0.029 0.000 1.034 287 I HN 0.474 nan 8.210 nan 0.000 0.405 288 N N -0.466 118.270 118.700 0.060 0.000 2.036 288 N HA -0.286 4.454 4.740 -0.001 0.000 0.195 288 N C 2.009 177.564 175.510 0.074 0.000 1.037 288 N CA 1.334 54.416 53.050 0.052 0.000 0.855 288 N CB -0.376 38.143 38.487 0.053 0.000 1.033 288 N HN 0.427 nan 8.380 nan 0.000 0.423 289 H N 1.273 120.351 119.070 0.014 0.000 2.254 289 H HA -0.129 4.427 4.556 -0.001 0.000 0.294 289 H C 2.046 177.375 175.328 0.002 0.000 1.071 289 H CA 1.598 57.650 56.048 0.006 0.000 1.228 289 H CB -0.354 29.419 29.762 0.018 0.000 1.358 289 H HN 0.068 nan 8.280 nan 0.000 0.495 290 L N 1.142 122.505 121.223 0.234 0.000 2.043 290 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 290 L C 3.115 179.973 176.870 -0.019 0.000 1.075 290 L CA 1.947 56.851 54.840 0.108 0.000 0.752 290 L CB -1.434 40.664 42.059 0.064 0.000 0.891 290 L HN 0.439 nan 8.230 nan 0.000 0.432 291 A N -0.997 121.808 122.820 -0.025 0.000 1.930 291 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 291 A C 2.438 179.998 177.584 -0.040 0.000 1.175 291 A CA 1.494 53.510 52.037 -0.035 0.000 0.627 291 A CB -0.819 18.167 19.000 -0.024 0.000 0.815 291 A HN 0.392 nan 8.150 nan 0.000 0.443 292 A N -0.374 122.412 122.820 -0.056 0.000 2.076 292 A HA -0.131 4.189 4.320 -0.001 0.000 0.220 292 A C 1.894 179.429 177.584 -0.081 0.000 1.160 292 A CA 1.603 53.598 52.037 -0.070 0.000 0.653 292 A CB -0.329 18.612 19.000 -0.098 0.000 0.801 292 A HN 0.515 nan 8.150 nan 0.000 0.455 293 K N -1.569 118.775 120.400 -0.093 0.000 2.417 293 K HA 0.249 4.569 4.320 -0.001 0.000 0.196 293 K C 0.973 177.547 176.600 -0.042 0.000 1.023 293 K CA 0.460 56.700 56.287 -0.078 0.000 1.122 293 K CB 0.092 32.539 32.500 -0.088 0.000 0.850 293 K HN 0.618 nan 8.250 nan 0.000 0.521 294 G N 1.656 110.436 108.800 -0.034 0.000 2.175 294 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.244 294 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.244 294 G C -0.238 174.652 174.900 -0.017 0.000 0.982 294 G CA -0.280 44.808 45.100 -0.019 0.000 0.641 294 G HN 0.367 nan 8.290 nan 0.000 0.527 295 E N 0.775 120.958 120.200 -0.028 0.000 2.338 295 E HA 0.299 4.649 4.350 -0.001 0.000 0.272 295 E C 0.138 176.716 176.600 -0.036 0.000 1.029 295 E CA -0.323 56.054 56.400 -0.039 0.000 0.872 295 E CB 0.424 30.082 29.700 -0.070 0.000 1.015 295 E HN 0.015 nan 8.360 nan 0.000 0.417 296 K N 4.487 124.876 120.400 -0.017 0.000 2.333 296 K HA 0.243 4.563 4.320 -0.001 0.000 0.241 296 K C -0.004 176.607 176.600 0.018 0.000 1.193 296 K CA -0.027 56.269 56.287 0.015 0.000 1.142 296 K CB -0.809 31.712 32.500 0.035 0.000 1.731 296 K HN 0.456 nan 8.250 nan 0.000 0.344 297 I N -2.988 117.565 120.570 -0.029 0.000 2.740 297 I HA 0.825 4.995 4.170 -0.001 0.000 0.303 297 I C -0.040 176.121 176.117 0.073 0.000 1.044 297 I CA -1.014 60.261 61.300 -0.042 0.000 1.064 297 I CB 2.462 40.174 38.000 -0.480 0.000 1.249 297 I HN 0.201 nan 8.210 nan 0.000 0.433 298 G N 3.497 112.430 108.800 0.222 0.000 2.921 298 G HA2 0.734 4.693 3.960 -0.001 0.000 0.291 298 G HA3 0.734 4.693 3.960 -0.001 0.000 0.291 298 G C -1.965 173.035 174.900 0.168 0.000 1.370 298 G CA -0.756 44.438 45.100 0.156 0.000 0.847 298 G HN 0.769 nan 8.290 nan 0.000 0.532 299 L N -0.793 120.379 121.223 -0.086 0.000 2.549 299 L HA 0.705 5.045 4.340 -0.001 0.000 0.259 299 L C -1.692 175.222 176.870 0.074 0.000 0.934 299 L CA -0.565 54.313 54.840 0.064 0.000 0.865 299 L CB 1.891 43.982 42.059 0.053 0.000 1.352 299 L HN 0.495 nan 8.230 nan 0.000 0.410 300 I N 4.215 124.924 120.570 0.232 0.000 2.354 300 I HA 0.390 4.559 4.170 -0.001 0.000 0.286 300 I C -0.440 175.833 176.117 0.260 0.000 1.007 300 I CA -0.658 60.804 61.300 0.269 0.000 1.167 300 I CB 1.444 39.599 38.000 0.257 0.000 1.320 300 I HN 0.565 nan 8.210 nan 0.000 0.458 301 K N 5.864 126.392 120.400 0.213 0.000 2.258 301 K HA 0.377 4.697 4.320 -0.001 0.000 0.284 301 K C -0.371 176.344 176.600 0.193 0.000 1.051 301 K CA -0.516 55.882 56.287 0.186 0.000 0.923 301 K CB 1.868 34.451 32.500 0.139 0.000 1.046 301 K HN 0.449 nan 8.250 nan 0.000 0.474 302 V N 2.188 122.207 119.914 0.174 0.000 2.546 302 V HA 0.328 4.448 4.120 -0.001 0.000 0.284 302 V C 0.318 176.335 176.094 -0.129 0.000 1.050 302 V CA -0.131 62.158 62.300 -0.018 0.000 0.981 302 V CB 1.554 33.440 31.823 0.105 0.000 0.990 302 V HN 0.726 nan 8.190 nan 0.000 0.474 303 R N 3.677 124.002 120.500 -0.293 0.000 2.049 303 R HA 0.483 4.822 4.340 -0.001 0.000 0.202 303 R C 0.312 176.497 176.300 -0.192 0.000 1.306 303 R CA 0.405 56.389 56.100 -0.193 0.000 1.107 303 R CB -0.425 29.797 30.300 -0.130 0.000 0.996 303 R HN 0.700 nan 8.270 nan 0.000 0.469 304 L N 1.807 122.858 121.223 -0.286 0.000 2.288 304 L HA 0.207 4.547 4.340 -0.001 0.000 0.283 304 L C 0.103 176.875 176.870 -0.162 0.000 1.072 304 L CA -0.121 54.628 54.840 -0.151 0.000 0.862 304 L CB 0.595 42.611 42.059 -0.071 0.000 1.245 304 L HN 0.257 nan 8.230 nan 0.000 0.432 305 Y N 4.359 124.623 120.300 -0.061 0.000 2.373 305 Y HA 0.218 4.767 4.550 -0.001 0.000 0.293 305 Y C 0.290 176.341 175.900 0.251 0.000 1.129 305 Y CA 0.603 58.799 58.100 0.160 0.000 1.226 305 Y CB 0.199 38.791 38.460 0.220 0.000 1.000 305 Y HN 0.416 nan 8.280 nan 0.000 0.549 306 R N 0.053 120.535 120.500 -0.030 0.000 2.508 306 R HA 0.301 4.640 4.340 -0.001 0.000 0.283 306 R C -3.088 173.176 176.300 -0.060 0.000 1.120 306 R CA -2.242 53.805 56.100 -0.088 0.000 0.958 306 R CB 1.348 31.566 30.300 -0.137 0.000 1.215 306 R HN -0.037 nan 8.270 nan 0.000 0.427 307 P HA 0.132 nan 4.420 nan 0.000 0.272 307 P C -0.547 176.831 177.300 0.129 0.000 1.223 307 P CA -0.217 62.931 63.100 0.079 0.000 0.784 307 P CB 0.402 32.177 31.700 0.126 0.000 0.923 308 F N 3.318 123.272 119.950 0.007 0.000 2.377 308 F HA 0.217 4.743 4.527 -0.001 0.000 0.360 308 F C -0.343 175.545 175.800 0.146 0.000 1.147 308 F CA -0.453 57.612 58.000 0.108 0.000 1.170 308 F CB 0.107 39.112 39.000 0.009 0.000 1.339 308 F HN -0.070 nan 8.300 nan 0.000 0.552 309 V N 6.320 126.256 119.914 0.037 0.000 2.387 309 V HA 0.010 4.129 4.120 -0.001 0.000 0.260 309 V C 1.094 177.112 176.094 -0.127 0.000 1.054 309 V CA 0.262 62.582 62.300 0.034 0.000 0.967 309 V CB 0.390 32.267 31.823 0.089 0.000 1.036 309 V HN 0.881 nan 8.190 nan 0.000 0.481 310 S N 3.431 119.124 115.700 -0.012 0.000 2.370 310 S HA -0.219 4.250 4.470 -0.001 0.000 0.226 310 S C 1.935 176.556 174.600 0.035 0.000 1.033 310 S CA 1.832 60.026 58.200 -0.010 0.000 1.011 310 S CB -0.127 63.164 63.200 0.151 0.000 0.852 310 S HN 0.986 nan 8.310 nan 0.000 0.457 311 E N 1.482 121.729 120.200 0.079 0.000 2.114 311 E HA -0.228 4.121 4.350 -0.001 0.000 0.199 311 E C 1.909 178.529 176.600 0.034 0.000 1.008 311 E CA 1.437 57.892 56.400 0.093 0.000 0.810 311 E CB -0.336 29.404 29.700 0.066 0.000 0.739 311 E HN 0.490 nan 8.360 nan 0.000 0.456 312 A N -0.079 122.724 122.820 -0.029 0.000 2.016 312 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 312 A C 1.908 179.323 177.584 -0.282 0.000 1.162 312 A CA 0.762 52.773 52.037 -0.044 0.000 0.662 312 A CB -0.697 18.369 19.000 0.110 0.000 0.812 312 A HN 0.519 nan 8.150 nan 0.000 0.450 313 F N 0.079 119.575 119.950 -0.757 0.000 2.051 313 F HA -0.155 4.371 4.527 -0.001 0.000 0.296 313 F C 1.834 177.223 175.800 -0.684 0.000 1.122 313 F CA 1.755 59.035 58.000 -1.200 0.000 1.201 313 F CB -0.537 37.642 39.000 -1.368 0.000 0.978 313 F HN 0.210 nan 8.300 nan 0.000 0.472 314 F N 0.988 120.742 119.950 -0.327 0.000 2.126 314 F HA -0.110 4.416 4.527 -0.001 0.000 0.299 314 F C 2.593 178.221 175.800 -0.287 0.000 1.096 314 F CA 1.252 59.072 58.000 -0.299 0.000 1.255 314 F CB -1.562 37.367 39.000 -0.118 0.000 0.997 314 F HN 0.078 nan 8.300 nan 0.000 0.479 315 A N -0.635 122.155 122.820 -0.050 0.000 2.272 315 A HA 0.178 4.497 4.320 -0.001 0.000 0.213 315 A C 1.990 179.514 177.584 -0.101 0.000 1.183 315 A CA 1.382 53.390 52.037 -0.048 0.000 0.719 315 A CB -1.034 17.959 19.000 -0.012 0.000 0.771 315 A HN 0.304 nan 8.150 nan 0.000 0.484 316 A N -1.433 121.255 122.820 -0.220 0.000 2.456 316 A HA 0.453 4.773 4.320 -0.001 0.000 0.237 316 A C 0.545 177.948 177.584 -0.302 0.000 1.217 316 A CA -0.169 51.764 52.037 -0.174 0.000 0.962 316 A CB 0.195 19.135 19.000 -0.099 0.000 1.079 316 A HN 0.465 nan 8.150 nan 0.000 0.536 317 L N 2.062 123.057 121.223 -0.380 0.000 2.257 317 L HA 0.457 4.796 4.340 -0.001 0.000 0.290 317 L C -2.945 173.775 176.870 -0.251 0.000 1.044 317 L CA -1.666 52.986 54.840 -0.314 0.000 0.810 317 L CB 1.005 42.916 42.059 -0.248 0.000 1.193 317 L HN -0.046 nan 8.230 nan 0.000 0.425 318 P HA 0.036 nan 4.420 nan 0.000 0.266 318 P C 0.302 177.556 177.300 -0.076 0.000 1.193 318 P CA 0.127 63.059 63.100 -0.282 0.000 0.770 318 P CB 0.803 32.316 31.700 -0.312 0.000 0.836 319 A N 2.133 124.929 122.820 -0.041 0.000 2.121 319 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 319 A C 1.752 179.355 177.584 0.033 0.000 1.154 319 A CA 1.659 53.703 52.037 0.012 0.000 0.679 319 A CB -1.046 17.954 19.000 0.000 0.000 0.795 319 A HN 0.569 nan 8.150 nan 0.000 0.458 320 S N -0.448 115.266 115.700 0.023 0.000 2.593 320 S HA 0.483 4.952 4.470 -0.001 0.000 0.217 320 S C 0.898 175.536 174.600 0.064 0.000 0.966 320 S CA 0.204 58.429 58.200 0.040 0.000 0.914 320 S CB -0.469 62.752 63.200 0.035 0.000 0.776 320 S HN 0.805 nan 8.310 nan 0.000 0.523 321 A N 1.924 124.794 122.820 0.082 0.000 2.537 321 A HA 0.254 4.574 4.320 -0.001 0.000 0.260 321 A C 1.062 178.708 177.584 0.103 0.000 1.082 321 A CA -0.085 52.023 52.037 0.117 0.000 0.765 321 A CB 0.044 19.142 19.000 0.164 0.000 1.019 321 A HN 0.465 nan 8.150 nan 0.000 0.507 322 K N 1.318 121.771 120.400 0.087 0.000 2.354 322 K HA 0.302 4.622 4.320 -0.001 0.000 0.194 322 K C -0.607 176.022 176.600 0.048 0.000 1.038 322 K CA 0.466 56.790 56.287 0.061 0.000 1.052 322 K CB 0.565 33.096 32.500 0.051 0.000 0.861 322 K HN 0.537 nan 8.250 nan 0.000 0.535 323 V N 1.568 121.523 119.914 0.068 0.000 2.969 323 V HA 0.393 4.513 4.120 -0.001 0.000 0.304 323 V C -1.377 174.775 176.094 0.097 0.000 1.192 323 V CA -1.125 61.210 62.300 0.057 0.000 0.962 323 V CB 2.318 34.178 31.823 0.061 0.000 1.045 323 V HN 0.142 nan 8.190 nan 0.000 0.428 324 I N 2.446 123.069 120.570 0.088 0.000 2.571 324 I HA 0.784 4.954 4.170 -0.001 0.000 0.289 324 I C -0.536 175.668 176.117 0.146 0.000 1.115 324 I CA -0.003 61.389 61.300 0.154 0.000 1.045 324 I CB 2.407 40.548 38.000 0.235 0.000 1.238 324 I HN 0.748 nan 8.210 nan 0.000 0.424 325 T N 5.839 120.480 114.554 0.145 0.000 2.779 325 T HA 0.642 4.992 4.350 -0.001 0.000 0.280 325 T C -0.640 174.146 174.700 0.144 0.000 0.987 325 T CA -0.507 61.673 62.100 0.133 0.000 0.966 325 T CB 1.277 70.238 68.868 0.155 0.000 0.933 325 T HN 0.455 nan 8.240 nan 0.000 0.442 326 V N 6.025 126.026 119.914 0.145 0.000 2.368 326 V HA 0.368 4.488 4.120 -0.001 0.000 0.266 326 V C -0.161 175.981 176.094 0.080 0.000 1.045 326 V CA -0.851 61.554 62.300 0.174 0.000 0.899 326 V CB 0.441 32.427 31.823 0.271 0.000 1.006 326 V HN 0.752 nan 8.190 nan 0.000 0.470 327 L N 5.020 126.285 121.223 0.070 0.000 2.290 327 L HA 0.476 4.816 4.340 -0.001 0.000 0.284 327 L C 0.228 177.236 176.870 0.231 0.000 1.078 327 L CA 0.473 55.331 54.840 0.031 0.000 0.815 327 L CB 0.817 42.730 42.059 -0.245 0.000 1.162 327 L HN 0.579 nan 8.230 nan 0.000 0.435 328 D N 3.004 123.541 120.400 0.230 0.000 2.375 328 D HA 0.238 4.878 4.640 -0.001 0.000 0.247 328 D C -0.072 176.250 176.300 0.036 0.000 1.061 328 D CA -0.463 53.669 54.000 0.220 0.000 0.834 328 D CB 1.915 42.768 40.800 0.087 0.000 1.247 328 D HN 0.332 nan 8.370 nan 0.000 0.489 329 R N 2.031 122.490 120.500 -0.068 0.000 4.306 329 R HA 0.209 4.549 4.340 -0.001 0.000 0.266 329 R C -0.434 175.730 176.300 -0.227 0.000 1.624 329 R CA 0.089 55.846 56.100 -0.572 0.000 1.487 329 R CB 0.028 29.761 30.300 -0.944 0.000 1.441 329 R HN 0.393 nan 8.270 nan 0.000 0.750 330 T N -0.189 114.309 114.554 -0.092 0.000 2.663 330 T HA 0.275 4.625 4.350 -0.001 0.000 0.305 330 T C -2.209 172.471 174.700 -0.034 0.000 1.660 330 T CA -0.866 61.232 62.100 -0.004 0.000 0.976 330 T CB 1.179 70.158 68.868 0.185 0.000 1.705 330 T HN 0.307 nan 8.240 nan 0.000 0.494 331 K N 1.933 122.321 120.400 -0.020 0.000 2.687 331 K HA 0.468 4.787 4.320 -0.001 0.000 0.249 331 K C -1.318 175.270 176.600 -0.020 0.000 0.994 331 K CA -0.408 55.862 56.287 -0.029 0.000 0.913 331 K CB 1.186 33.670 32.500 -0.026 0.000 1.202 331 K HN 0.499 nan 8.250 nan 0.000 0.460 332 E N 5.308 125.488 120.200 -0.033 0.000 2.014 332 E HA 0.208 4.558 4.350 -0.001 0.000 0.275 332 E C -2.210 174.376 176.600 -0.024 0.000 0.997 332 E CA -1.994 54.388 56.400 -0.029 0.000 0.804 332 E CB 0.757 30.429 29.700 -0.046 0.000 1.090 332 E HN 0.497 nan 8.360 nan 0.000 0.401 333 P HA -0.028 nan 4.420 nan 0.000 0.260 333 P C 0.810 178.099 177.300 -0.018 0.000 1.185 333 P CA 0.666 63.758 63.100 -0.014 0.000 0.763 333 P CB 0.514 32.214 31.700 -0.001 0.000 0.776 334 G N 1.919 110.703 108.800 -0.027 0.000 2.176 334 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.253 334 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.253 334 G C 0.475 175.359 174.900 -0.028 0.000 0.979 334 G CA 0.015 45.099 45.100 -0.027 0.000 0.641 334 G HN 0.861 nan 8.290 nan 0.000 0.530 335 A N 0.565 123.369 122.820 -0.026 0.000 2.272 335 A HA 0.775 5.095 4.320 -0.001 0.000 0.275 335 A C -0.178 177.398 177.584 -0.012 0.000 1.096 335 A CA -0.287 51.740 52.037 -0.016 0.000 0.822 335 A CB 0.554 19.545 19.000 -0.014 0.000 1.088 335 A HN 0.242 nan 8.150 nan 0.000 0.495 336 P HA 0.272 nan 4.420 nan 0.000 0.257 336 P C 0.268 177.678 177.300 0.183 0.000 1.281 336 P CA 0.909 64.037 63.100 0.047 0.000 0.826 336 P CB 0.291 32.029 31.700 0.064 0.000 1.237 337 G N -0.492 108.416 108.800 0.180 0.000 2.340 337 G HA2 0.156 4.115 3.960 -0.001 0.000 0.298 337 G HA3 0.156 4.115 3.960 -0.001 0.000 0.298 337 G C -1.921 173.088 174.900 0.182 0.000 1.498 337 G CA -0.691 44.619 45.100 0.350 0.000 0.847 337 G HN -0.168 nan 8.290 nan 0.000 0.594 338 D N 0.655 121.148 120.400 0.155 0.000 2.383 338 D HA 0.352 4.992 4.640 -0.001 0.000 0.248 338 D C -1.289 174.975 176.300 -0.060 0.000 1.170 338 D CA -1.257 52.735 54.000 -0.013 0.000 0.977 338 D CB 1.420 42.185 40.800 -0.059 0.000 1.120 338 D HN 0.021 nan 8.370 nan 0.000 0.481 339 P HA -0.163 nan 4.420 nan 0.000 0.213 339 P C 1.638 178.882 177.300 -0.094 0.000 1.170 339 P CA 0.687 63.618 63.100 -0.281 0.000 0.902 339 P CB 0.159 31.449 31.700 -0.683 0.000 0.789 340 L N -1.488 119.717 121.223 -0.031 0.000 1.989 340 L HA -0.209 4.130 4.340 -0.001 0.000 0.211 340 L C 2.478 179.417 176.870 0.114 0.000 1.071 340 L CA 1.870 56.816 54.840 0.177 0.000 0.749 340 L CB -1.737 40.489 42.059 0.278 0.000 0.890 340 L HN -0.058 nan 8.230 nan 0.000 0.431 341 Y N -0.870 119.425 120.300 -0.008 0.000 2.165 341 Y HA -0.265 4.284 4.550 -0.001 0.000 0.286 341 Y C 2.202 178.070 175.900 -0.053 0.000 1.155 341 Y CA 1.785 59.874 58.100 -0.019 0.000 1.164 341 Y CB -0.466 37.971 38.460 -0.038 0.000 0.978 341 Y HN 0.191 nan 8.280 nan 0.000 0.513 342 L N 0.767 121.862 121.223 -0.212 0.000 2.046 342 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 342 L C 1.949 178.610 176.870 -0.347 0.000 1.077 342 L CA 2.066 56.700 54.840 -0.345 0.000 0.747 342 L CB -1.258 40.692 42.059 -0.181 0.000 0.896 342 L HN 0.238 nan 8.230 nan 0.000 0.432 343 D N -1.228 118.959 120.400 -0.355 0.000 2.078 343 D HA -0.163 4.477 4.640 -0.001 0.000 0.193 343 D C 2.333 178.286 176.300 -0.578 0.000 0.990 343 D CA 1.369 55.001 54.000 -0.614 0.000 0.827 343 D CB -0.307 39.872 40.800 -1.035 0.000 0.975 343 D HN 0.045 nan 8.370 nan 0.000 0.451 344 V N 0.560 120.217 119.914 -0.428 0.000 2.317 344 V HA -0.360 3.760 4.120 -0.001 0.000 0.251 344 V C 2.593 178.586 176.094 -0.167 0.000 1.065 344 V CA 1.527 63.596 62.300 -0.386 0.000 1.049 344 V CB -0.701 31.037 31.823 -0.142 0.000 0.651 344 V HN 0.401 nan 8.190 nan 0.000 0.450 345 C N 0.639 119.846 119.300 -0.154 0.000 2.413 345 C HA -0.180 4.279 4.460 -0.001 0.000 0.277 345 C C 3.309 178.292 174.990 -0.011 0.000 1.228 345 C CA 1.659 60.637 59.018 -0.066 0.000 1.731 345 C CB -1.254 26.294 27.740 -0.319 0.000 2.042 345 C HN 0.798 nan 8.230 nan 0.000 0.468 346 S N 1.569 117.199 115.700 -0.118 0.000 2.419 346 S HA -0.135 4.335 4.470 -0.001 0.000 0.235 346 S C 1.819 176.413 174.600 -0.011 0.000 1.019 346 S CA 1.607 59.763 58.200 -0.072 0.000 0.982 346 S CB -0.436 62.690 63.200 -0.124 0.000 0.789 346 S HN 0.648 nan 8.310 nan 0.000 0.490 347 A N 1.009 123.801 122.820 -0.046 0.000 1.872 347 A HA 0.218 4.537 4.320 -0.001 0.000 0.214 347 A C 1.871 179.565 177.584 0.183 0.000 1.187 347 A CA 1.104 53.153 52.037 0.020 0.000 0.614 347 A CB -1.074 17.762 19.000 -0.273 0.000 0.826 347 A HN 0.504 nan 8.150 nan 0.000 0.442 348 F N 0.129 120.216 119.950 0.229 0.000 2.161 348 F HA -0.195 4.332 4.527 -0.001 0.000 0.300 348 F C 2.608 178.477 175.800 0.114 0.000 1.089 348 F CA 1.832 59.990 58.000 0.264 0.000 1.282 348 F CB -0.494 38.614 39.000 0.179 0.000 1.010 348 F HN 0.190 nan 8.300 nan 0.000 0.485 349 V N -1.139 118.916 119.914 0.234 0.000 2.346 349 V HA -0.183 3.937 4.120 -0.001 0.000 0.244 349 V C 1.973 178.119 176.094 0.087 0.000 1.037 349 V CA 1.972 64.348 62.300 0.126 0.000 1.029 349 V CB -0.971 30.895 31.823 0.072 0.000 0.663 349 V HN 0.335 nan 8.190 nan 0.000 0.454 350 E N 0.272 120.519 120.200 0.079 0.000 2.267 350 E HA -0.236 4.114 4.350 -0.001 0.000 0.197 350 E C 2.364 178.991 176.600 0.045 0.000 0.998 350 E CA 1.210 57.644 56.400 0.056 0.000 0.830 350 E CB -0.275 29.459 29.700 0.057 0.000 0.751 350 E HN 0.609 nan 8.360 nan 0.000 0.491 351 R N 0.111 120.639 120.500 0.048 0.000 2.119 351 R HA -0.033 4.306 4.340 -0.001 0.000 0.222 351 R C 0.824 177.098 176.300 -0.042 0.000 1.088 351 R CA 1.058 57.126 56.100 -0.053 0.000 0.984 351 R CB -0.345 29.818 30.300 -0.228 0.000 0.884 351 R HN 0.280 nan 8.270 nan 0.000 0.447 352 G N 1.591 110.397 108.800 0.011 0.000 2.333 352 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.296 352 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.296 352 G C -0.282 174.617 174.900 -0.002 0.000 1.059 352 G CA 1.081 46.189 45.100 0.012 0.000 1.050 352 G HN 0.551 nan 8.290 nan 0.000 0.508 353 E N -0.700 119.505 120.200 0.008 0.000 4.495 353 E HA 0.661 5.010 4.350 -0.001 0.000 0.141 353 E C 1.127 177.750 176.600 0.037 0.000 1.253 353 E CA -0.477 55.923 56.400 0.001 0.000 0.725 353 E CB -0.188 29.485 29.700 -0.044 0.000 2.233 353 E HN 0.918 nan 8.360 nan 0.000 0.524 354 A N 1.310 124.160 122.820 0.050 0.000 2.448 354 A HA 0.394 4.713 4.320 -0.001 0.000 0.239 354 A C -0.134 177.531 177.584 0.135 0.000 1.080 354 A CA 0.560 52.648 52.037 0.084 0.000 0.779 354 A CB 0.195 19.256 19.000 0.103 0.000 1.026 354 A HN 0.378 nan 8.150 nan 0.000 0.499 355 M N 1.533 121.173 119.600 0.067 0.000 2.542 355 M HA 0.184 4.663 4.480 -0.001 0.000 0.273 355 M C -2.181 174.052 176.300 -0.111 0.000 1.296 355 M CA -0.952 54.336 55.300 -0.021 0.000 0.631 355 M CB 0.800 33.401 32.600 0.001 0.000 1.747 355 M HN 0.437 nan 8.290 nan 0.000 0.378 356 P HA -0.161 nan 4.420 nan 0.000 0.228 356 P C -0.235 176.994 177.300 -0.119 0.000 1.143 356 P CA 1.065 64.091 63.100 -0.122 0.000 0.771 356 P CB -0.014 31.615 31.700 -0.119 0.000 0.764 357 K N -0.664 119.645 120.400 -0.152 0.000 6.451 357 K HA -0.159 4.161 4.320 -0.001 0.000 0.695 357 K C -1.232 175.322 176.600 -0.077 0.000 1.739 357 K CA 0.301 56.540 56.287 -0.079 0.000 1.661 357 K CB -1.882 30.602 32.500 -0.026 0.000 1.886 357 K HN -0.005 nan 8.250 nan 0.000 0.334 358 I N 5.208 125.737 120.570 -0.068 0.000 2.331 358 I HA 0.364 4.534 4.170 -0.001 0.000 0.292 358 I C -0.061 176.104 176.117 0.081 0.000 0.998 358 I CA -0.736 60.578 61.300 0.023 0.000 1.267 358 I CB 1.043 39.074 38.000 0.052 0.000 1.386 358 I HN 0.412 nan 8.210 nan 0.000 0.476 359 L N 5.869 127.118 121.223 0.045 0.000 2.334 359 L HA 0.827 5.166 4.340 -0.001 0.000 0.273 359 L C -0.028 176.731 176.870 -0.184 0.000 1.013 359 L CA -0.546 54.263 54.840 -0.052 0.000 0.816 359 L CB 1.724 43.817 42.059 0.056 0.000 1.278 359 L HN 0.689 nan 8.230 nan 0.000 0.431 360 A N 1.092 123.592 122.820 -0.534 0.000 2.342 360 A HA 0.920 5.239 4.320 -0.001 0.000 0.323 360 A C -0.230 176.970 177.584 -0.641 0.000 1.125 360 A CA -0.058 51.542 52.037 -0.729 0.000 0.785 360 A CB 1.340 19.407 19.000 -1.554 0.000 1.221 360 A HN 0.752 nan 8.150 nan 0.000 0.463 361 G N 0.479 108.888 108.800 -0.650 0.000 2.659 361 G HA2 0.625 4.585 3.960 -0.001 0.000 0.296 361 G HA3 0.625 4.585 3.960 -0.001 0.000 0.296 361 G C -1.023 173.539 174.900 -0.563 0.000 1.369 361 G CA -0.730 43.623 45.100 -1.245 0.000 0.937 361 G HN 0.913 nan 8.290 nan 0.000 0.485 362 R N -0.076 120.133 120.500 -0.486 0.000 2.621 362 R HA 0.734 5.074 4.340 -0.001 0.000 0.292 362 R C -1.346 174.960 176.300 0.010 0.000 0.969 362 R CA -0.813 55.200 56.100 -0.146 0.000 0.887 362 R CB 1.602 31.811 30.300 -0.152 0.000 1.180 362 R HN 0.775 nan 8.270 nan 0.000 0.450 363 Y N 0.470 120.657 120.300 -0.189 0.000 2.677 363 Y HA 0.593 5.143 4.550 -0.001 0.000 0.334 363 Y C 0.732 176.543 175.900 -0.148 0.000 1.154 363 Y CA -1.057 56.951 58.100 -0.154 0.000 1.070 363 Y CB 0.590 38.841 38.460 -0.349 0.000 1.294 363 Y HN 0.726 nan 8.280 nan 0.000 0.475 364 G N 0.533 109.220 108.800 -0.187 0.000 2.243 364 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.276 364 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.276 364 G C -0.105 174.646 174.900 -0.249 0.000 0.997 364 G CA 0.545 45.505 45.100 -0.233 0.000 0.693 364 G HN 0.708 nan 8.290 nan 0.000 0.529 365 L N 0.335 121.416 121.223 -0.237 0.000 2.628 365 L HA 0.379 4.719 4.340 -0.001 0.000 0.292 365 L C 1.870 178.691 176.870 -0.082 0.000 1.250 365 L CA 2.050 56.797 54.840 -0.155 0.000 0.892 365 L CB -0.019 41.979 42.059 -0.101 0.000 1.138 365 L HN 1.321 nan 8.230 nan 0.000 0.502 366 G N 2.661 111.438 108.800 -0.039 0.000 2.233 366 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.270 366 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.270 366 G C 0.775 175.694 174.900 0.030 0.000 1.011 366 G CA 0.684 45.801 45.100 0.030 0.000 0.762 366 G HN 1.070 nan 8.290 nan 0.000 0.511 367 S N -2.606 113.105 115.700 0.019 0.000 3.576 367 S HA -0.204 4.265 4.470 -0.001 0.000 0.294 367 S C 0.921 175.488 174.600 -0.054 0.000 1.224 367 S CA 1.719 59.931 58.200 0.019 0.000 0.866 367 S CB -0.822 62.429 63.200 0.084 0.000 1.017 367 S HN 1.439 nan 8.310 nan 0.000 0.597 368 K N 2.285 122.654 120.400 -0.051 0.000 2.380 368 K HA 0.192 4.512 4.320 -0.001 0.000 0.267 368 K C 0.294 176.917 176.600 0.038 0.000 0.990 368 K CA 0.282 56.551 56.287 -0.029 0.000 0.946 368 K CB 0.414 32.906 32.500 -0.014 0.000 0.937 368 K HN 0.220 nan 8.250 nan 0.000 0.491 369 E N 2.023 122.251 120.200 0.047 0.000 2.392 369 E HA 0.009 4.359 4.350 -0.001 0.000 0.264 369 E C -0.726 176.002 176.600 0.213 0.000 1.024 369 E CA 0.224 56.679 56.400 0.092 0.000 0.903 369 E CB 0.341 30.063 29.700 0.036 0.000 0.963 369 E HN 0.430 nan 8.360 nan 0.000 0.432 370 F N 2.890 122.873 119.950 0.055 0.000 2.523 370 F HA 0.109 4.635 4.527 -0.001 0.000 0.322 370 F C 0.244 176.021 175.800 -0.038 0.000 1.361 370 F CA -0.658 57.376 58.000 0.056 0.000 1.151 370 F CB -0.098 39.001 39.000 0.165 0.000 1.391 370 F HN 0.215 nan 8.300 nan 0.000 0.566 371 S N 2.086 117.596 115.700 -0.317 0.000 2.640 371 S HA 0.428 4.898 4.470 -0.001 0.000 0.262 371 S C -1.935 172.228 174.600 -0.727 0.000 1.232 371 S CA -0.842 57.027 58.200 -0.551 0.000 0.988 371 S CB 0.870 63.856 63.200 -0.358 0.000 1.034 371 S HN 0.249 nan 8.310 nan 0.000 0.569 372 P HA 0.098 nan 4.420 nan 0.000 0.216 372 P C 1.680 178.646 177.300 -0.556 0.000 1.153 372 P CA 1.670 64.471 63.100 -0.499 0.000 0.844 372 P CB -0.323 31.242 31.700 -0.224 0.000 0.787 373 A N -0.385 122.189 122.820 -0.411 0.000 1.917 373 A HA -0.263 4.056 4.320 -0.001 0.000 0.219 373 A C 2.163 179.469 177.584 -0.463 0.000 1.182 373 A CA 2.251 53.996 52.037 -0.486 0.000 0.633 373 A CB -1.616 17.283 19.000 -0.167 0.000 0.819 373 A HN 0.119 nan 8.150 nan 0.000 0.448 374 M N -0.785 118.589 119.600 -0.377 0.000 2.159 374 M HA -0.136 4.343 4.480 -0.001 0.000 0.263 374 M C 2.040 178.149 176.300 -0.318 0.000 1.063 374 M CA 1.436 56.570 55.300 -0.278 0.000 1.110 374 M CB -0.489 31.988 32.600 -0.206 0.000 1.374 374 M HN 0.264 nan 8.290 nan 0.000 0.411 375 V N 0.262 119.864 119.914 -0.520 0.000 2.453 375 V HA -0.209 3.910 4.120 -0.001 0.000 0.247 375 V C 2.356 178.319 176.094 -0.218 0.000 1.048 375 V CA 1.638 63.711 62.300 -0.377 0.000 1.049 375 V CB -0.728 30.868 31.823 -0.379 0.000 0.672 375 V HN 0.366 nan 8.190 nan 0.000 0.457 376 K N 1.189 121.347 120.400 -0.404 0.000 2.063 376 K HA -0.187 4.133 4.320 -0.001 0.000 0.208 376 K C 2.434 178.915 176.600 -0.200 0.000 1.048 376 K CA 2.115 58.162 56.287 -0.401 0.000 0.928 376 K CB -0.899 30.966 32.500 -1.057 0.000 0.713 376 K HN 0.402 nan 8.250 nan 0.000 0.442 377 S N -0.652 114.902 115.700 -0.243 0.000 2.382 377 S HA -0.079 4.390 4.470 -0.001 0.000 0.228 377 S C 1.896 176.387 174.600 -0.182 0.000 1.027 377 S CA 1.311 59.405 58.200 -0.177 0.000 0.991 377 S CB -0.357 62.749 63.200 -0.157 0.000 0.823 377 S HN 0.139 nan 8.310 nan 0.000 0.469 378 V N 0.773 120.583 119.914 -0.174 0.000 2.295 378 V HA -0.129 3.990 4.120 -0.001 0.000 0.246 378 V C 2.198 178.153 176.094 -0.232 0.000 1.049 378 V CA 1.944 64.118 62.300 -0.210 0.000 1.024 378 V CB -0.985 30.757 31.823 -0.135 0.000 0.648 378 V HN 0.523 nan 8.190 nan 0.000 0.447 379 Y N 0.764 121.017 120.300 -0.079 0.000 2.114 379 Y HA -0.193 4.357 4.550 -0.001 0.000 0.284 379 Y C 2.525 178.383 175.900 -0.069 0.000 1.143 379 Y CA 1.586 59.654 58.100 -0.054 0.000 1.135 379 Y CB -0.739 37.692 38.460 -0.049 0.000 0.980 379 Y HN 0.289 nan 8.280 nan 0.000 0.499 380 D N -0.509 119.935 120.400 0.073 0.000 2.221 380 D HA -0.188 4.452 4.640 -0.001 0.000 0.204 380 D C 1.848 178.127 176.300 -0.036 0.000 0.982 380 D CA 1.277 55.283 54.000 0.010 0.000 0.857 380 D CB -0.453 40.329 40.800 -0.031 0.000 0.934 380 D HN 0.342 nan 8.370 nan 0.000 0.475 381 N N -0.151 118.488 118.700 -0.102 0.000 2.171 381 N HA -0.056 4.684 4.740 -0.001 0.000 0.184 381 N C 1.749 177.204 175.510 -0.091 0.000 1.021 381 N CA 0.717 53.671 53.050 -0.160 0.000 0.854 381 N CB -0.102 38.170 38.487 -0.357 0.000 0.994 381 N HN 0.044 nan 8.380 nan 0.000 0.426 382 M N -0.322 119.252 119.600 -0.043 0.000 2.202 382 M HA -0.133 4.347 4.480 -0.001 0.000 0.262 382 M C 1.704 178.021 176.300 0.029 0.000 1.063 382 M CA 1.648 56.957 55.300 0.015 0.000 1.097 382 M CB -0.107 32.542 32.600 0.082 0.000 1.382 382 M HN 0.370 nan 8.290 nan 0.000 0.413 383 S N -1.516 114.204 115.700 0.032 0.000 2.492 383 S HA 0.172 4.641 4.470 -0.001 0.000 0.218 383 S C 1.375 175.979 174.600 0.008 0.000 1.016 383 S CA 0.162 58.379 58.200 0.028 0.000 0.916 383 S CB -0.088 63.135 63.200 0.038 0.000 0.791 383 S HN 0.439 nan 8.310 nan 0.000 0.513 384 G N 1.427 110.222 108.800 -0.010 0.000 2.992 384 G HA2 0.521 4.481 3.960 -0.001 0.000 0.195 384 G HA3 0.521 4.481 3.960 -0.001 0.000 0.195 384 G C 1.487 176.374 174.900 -0.022 0.000 2.032 384 G CA 0.095 45.186 45.100 -0.016 0.000 0.831 384 G HN 0.529 nan 8.290 nan 0.000 0.647 385 A N -0.392 122.406 122.820 -0.037 0.000 1.940 385 A HA 0.048 4.368 4.320 -0.001 0.000 0.219 385 A C 1.474 179.039 177.584 -0.032 0.000 1.176 385 A CA 2.179 54.195 52.037 -0.035 0.000 0.631 385 A CB -0.581 18.391 19.000 -0.047 0.000 0.814 385 A HN 0.612 nan 8.150 nan 0.000 0.446 386 K N -1.410 118.959 120.400 -0.051 0.000 3.125 386 K HA -0.165 4.154 4.320 -0.001 0.000 0.268 386 K C -0.070 176.517 176.600 -0.020 0.000 1.078 386 K CA 0.928 57.193 56.287 -0.036 0.000 0.775 386 K CB -1.438 31.057 32.500 -0.008 0.000 1.253 386 K HN 0.691 nan 8.250 nan 0.000 0.486 387 K N 1.565 121.936 120.400 -0.049 0.000 2.447 387 K HA 0.015 4.335 4.320 -0.001 0.000 0.281 387 K C 0.135 176.798 176.600 0.105 0.000 1.031 387 K CA -0.010 56.284 56.287 0.012 0.000 1.019 387 K CB 0.455 32.940 32.500 -0.025 0.000 0.918 387 K HN 0.118 nan 8.250 nan 0.000 0.476 388 N N 2.144 120.918 118.700 0.123 0.000 2.482 388 N HA 0.093 4.832 4.740 -0.001 0.000 0.279 388 N C -1.089 174.530 175.510 0.181 0.000 1.182 388 N CA -0.069 53.037 53.050 0.094 0.000 0.969 388 N CB 0.407 38.896 38.487 0.002 0.000 1.201 388 N HN 0.700 nan 8.380 nan 0.000 0.523 389 H N -0.506 118.545 119.070 -0.032 0.000 2.496 389 H HA -0.208 4.347 4.556 -0.001 0.000 0.323 389 H C -0.587 174.711 175.328 -0.050 0.000 1.054 389 H CA 1.130 57.090 56.048 -0.147 0.000 1.095 389 H CB -1.724 27.970 29.762 -0.114 0.000 1.595 389 H HN 0.367 nan 8.280 nan 0.000 0.388 390 F N -1.419 118.542 119.950 0.019 0.000 2.452 390 F HA 0.806 5.333 4.527 -0.001 0.000 0.353 390 F C 0.471 176.284 175.800 0.023 0.000 1.089 390 F CA -0.581 57.430 58.000 0.019 0.000 1.080 390 F CB 0.994 39.995 39.000 0.001 0.000 1.399 390 F HN 0.053 nan 8.300 nan 0.000 0.492 391 T N -0.777 113.912 114.554 0.225 0.000 2.906 391 T HA 0.747 5.096 4.350 -0.001 0.000 0.295 391 T C -1.177 173.702 174.700 0.299 0.000 1.061 391 T CA -0.823 61.350 62.100 0.121 0.000 1.000 391 T CB 1.473 70.384 68.868 0.072 0.000 1.103 391 T HN 0.856 nan 8.240 nan 0.000 0.486 392 V N -0.338 119.727 119.914 0.252 0.000 2.569 392 V HA 0.863 4.982 4.120 -0.001 0.000 0.301 392 V C 0.915 177.132 176.094 0.204 0.000 1.044 392 V CA -0.200 62.260 62.300 0.268 0.000 0.874 392 V CB 0.510 32.552 31.823 0.365 0.000 1.002 392 V HN 1.555 nan 8.190 nan 0.000 0.424 393 G N 3.812 112.694 108.800 0.138 0.000 2.296 393 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.188 393 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.188 393 G C -0.124 174.819 174.900 0.072 0.000 1.000 393 G CA 0.056 45.220 45.100 0.107 0.000 0.672 393 G HN 1.329 nan 8.290 nan 0.000 0.483 394 I N -1.689 118.925 120.570 0.074 0.000 2.892 394 I HA 0.856 5.026 4.170 -0.001 0.000 0.306 394 I C -0.595 175.560 176.117 0.064 0.000 1.078 394 I CA -1.356 59.981 61.300 0.063 0.000 1.032 394 I CB 2.282 40.314 38.000 0.053 0.000 1.229 394 I HN 0.033 nan 8.210 nan 0.000 0.435 395 E N 2.958 123.196 120.200 0.063 0.000 2.035 395 E HA 0.145 4.494 4.350 -0.001 0.000 0.271 395 E C -1.283 175.352 176.600 0.058 0.000 0.953 395 E CA -0.509 55.922 56.400 0.053 0.000 0.777 395 E CB 0.810 30.536 29.700 0.042 0.000 1.104 395 E HN 0.643 nan 8.360 nan 0.000 0.408 396 D N 4.308 124.740 120.400 0.054 0.000 2.468 396 D HA 0.013 4.653 4.640 -0.001 0.000 0.218 396 D C 0.043 176.367 176.300 0.039 0.000 1.155 396 D CA -0.499 53.531 54.000 0.050 0.000 0.924 396 D CB 0.749 41.579 40.800 0.050 0.000 1.029 396 D HN 0.481 nan 8.370 nan 0.000 0.515 397 D N 1.784 122.204 120.400 0.034 0.000 2.339 397 D HA -0.102 4.538 4.640 -0.001 0.000 0.217 397 D C 1.694 178.005 176.300 0.017 0.000 1.050 397 D CA 0.231 54.244 54.000 0.021 0.000 0.856 397 D CB -0.103 40.704 40.800 0.012 0.000 0.922 397 D HN 0.293 nan 8.370 nan 0.000 0.518 398 V N -1.105 118.822 119.914 0.022 0.000 2.436 398 V HA 0.027 4.147 4.120 -0.001 0.000 0.240 398 V C 1.848 177.951 176.094 0.014 0.000 1.040 398 V CA 1.580 63.889 62.300 0.016 0.000 1.052 398 V CB -0.562 31.272 31.823 0.017 0.000 0.707 398 V HN 0.157 nan 8.190 nan 0.000 0.469 399 T N -0.163 114.401 114.554 0.017 0.000 3.044 399 T HA 0.363 4.713 4.350 -0.001 0.000 0.255 399 T C 1.494 176.206 174.700 0.021 0.000 1.073 399 T CA 0.743 62.852 62.100 0.015 0.000 1.125 399 T CB -0.153 68.722 68.868 0.011 0.000 0.908 399 T HN 1.590 nan 8.240 nan 0.000 0.480 400 G N 2.208 111.025 108.800 0.028 0.000 2.326 400 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.286 400 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.286 400 G C 0.572 175.500 174.900 0.047 0.000 1.096 400 G CA 0.541 45.661 45.100 0.033 0.000 1.003 400 G HN 0.726 nan 8.290 nan 0.000 0.503 401 T N -2.818 111.772 114.554 0.060 0.000 3.010 401 T HA 0.510 4.859 4.350 -0.001 0.000 0.257 401 T C 1.380 176.163 174.700 0.139 0.000 1.020 401 T CA 0.939 63.095 62.100 0.093 0.000 0.938 401 T CB 0.367 69.280 68.868 0.075 0.000 1.049 401 T HN 1.570 nan 8.240 nan 0.000 0.522 402 S N 1.745 117.510 115.700 0.109 0.000 2.584 402 S HA 0.622 5.092 4.470 -0.001 0.000 0.273 402 S C -0.227 174.432 174.600 0.098 0.000 1.311 402 S CA -0.893 57.384 58.200 0.129 0.000 1.034 402 S CB 0.652 63.907 63.200 0.092 0.000 0.939 402 S HN 0.150 nan 8.310 nan 0.000 0.513 403 L N 3.261 124.545 121.223 0.102 0.000 2.375 403 L HA 0.515 4.855 4.340 -0.001 0.000 0.271 403 L C -1.769 175.097 176.870 -0.007 0.000 1.107 403 L CA -1.801 53.031 54.840 -0.014 0.000 0.806 403 L CB 0.250 42.255 42.059 -0.091 0.000 1.146 403 L HN 0.626 nan 8.230 nan 0.000 0.447 404 P HA 0.253 nan 4.420 nan 0.000 0.277 404 P C -1.366 175.912 177.300 -0.037 0.000 1.240 404 P CA -0.268 62.818 63.100 -0.023 0.000 0.798 404 P CB 1.458 33.141 31.700 -0.028 0.000 0.979 405 V N 1.571 121.469 119.914 -0.027 0.000 2.709 405 V HA 0.289 4.409 4.120 -0.001 0.000 0.308 405 V C -0.443 175.633 176.094 -0.031 0.000 1.062 405 V CA -0.386 61.888 62.300 -0.044 0.000 0.901 405 V CB 1.882 33.683 31.823 -0.038 0.000 1.003 405 V HN 0.557 nan 8.190 nan 0.000 0.425 406 D N 2.819 123.195 120.400 -0.039 0.000 2.441 406 D HA 0.318 4.957 4.640 -0.001 0.000 0.231 406 D C 0.604 176.917 176.300 0.023 0.000 1.073 406 D CA -0.341 53.657 54.000 -0.003 0.000 0.850 406 D CB 1.107 41.910 40.800 0.006 0.000 1.062 406 D HN 0.365 nan 8.370 nan 0.000 0.524 407 N N 2.441 121.157 118.700 0.028 0.000 2.494 407 N HA -0.017 4.723 4.740 -0.001 0.000 0.182 407 N C 1.420 176.973 175.510 0.071 0.000 1.076 407 N CA 0.505 53.582 53.050 0.044 0.000 0.908 407 N CB 0.121 38.624 38.487 0.027 0.000 0.967 407 N HN 0.530 nan 8.380 nan 0.000 0.449 408 A N 0.216 123.078 122.820 0.071 0.000 2.172 408 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 408 A C 0.640 178.281 177.584 0.095 0.000 1.154 408 A CA -0.202 51.874 52.037 0.065 0.000 0.701 408 A CB -0.745 18.287 19.000 0.052 0.000 0.789 408 A HN 0.221 nan 8.150 nan 0.000 0.465 409 F N 1.109 121.033 119.950 -0.042 0.000 2.635 409 F HA 0.279 4.805 4.527 -0.001 0.000 0.379 409 F C 1.021 176.780 175.800 -0.070 0.000 1.094 409 F CA -0.514 57.448 58.000 -0.063 0.000 1.300 409 F CB 0.145 39.083 39.000 -0.104 0.000 1.035 409 F HN 0.336 nan 8.300 nan 0.000 0.581 410 A N 4.879 127.296 122.820 -0.671 0.000 2.387 410 A HA 0.082 4.401 4.320 -0.001 0.000 0.251 410 A C 0.128 177.396 177.584 -0.527 0.000 1.113 410 A CA -0.121 51.608 52.037 -0.513 0.000 0.794 410 A CB -0.092 18.645 19.000 -0.440 0.000 1.069 410 A HN 0.804 nan 8.150 nan 0.000 0.506 411 D N -0.883 119.360 120.400 -0.262 0.000 2.304 411 D HA 0.272 4.912 4.640 -0.001 0.000 0.250 411 D C 0.744 176.933 176.300 -0.185 0.000 1.107 411 D CA 0.751 54.670 54.000 -0.135 0.000 0.885 411 D CB 0.989 41.776 40.800 -0.021 0.000 1.192 411 D HN 0.526 nan 8.370 nan 0.000 0.436 412 T N -0.939 113.549 114.554 -0.110 0.000 3.145 412 T HA 0.099 4.449 4.350 -0.001 0.000 0.281 412 T C 0.848 175.592 174.700 0.073 0.000 1.003 412 T CA -0.391 61.662 62.100 -0.078 0.000 0.901 412 T CB -0.112 68.664 68.868 -0.153 0.000 1.112 412 T HN 0.398 nan 8.240 nan 0.000 0.535 413 T N 1.316 115.926 114.554 0.094 0.000 2.856 413 T HA 0.430 4.779 4.350 -0.001 0.000 0.306 413 T C -2.465 172.276 174.700 0.068 0.000 1.062 413 T CA -1.088 61.064 62.100 0.086 0.000 1.083 413 T CB -0.006 68.904 68.868 0.069 0.000 0.984 413 T HN 0.011 nan 8.240 nan 0.000 0.542 414 P HA 0.140 nan 4.420 nan 0.000 0.270 414 P C 0.009 177.342 177.300 0.054 0.000 1.227 414 P CA -0.438 62.690 63.100 0.047 0.000 0.788 414 P CB 0.391 32.106 31.700 0.025 0.000 0.926 415 K N 1.048 121.478 120.400 0.050 0.000 2.401 415 K HA 0.284 4.604 4.320 -0.001 0.000 0.278 415 K C 0.629 177.265 176.600 0.060 0.000 1.018 415 K CA 0.901 57.218 56.287 0.050 0.000 0.981 415 K CB -0.231 32.294 32.500 0.041 0.000 0.933 415 K HN 0.840 nan 8.250 nan 0.000 0.477 416 G N 2.509 111.347 108.800 0.063 0.000 2.401 416 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.283 416 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.283 416 G C -0.423 174.533 174.900 0.093 0.000 1.117 416 G CA -0.136 45.008 45.100 0.074 0.000 1.051 416 G HN 0.521 nan 8.290 nan 0.000 0.510 417 T N 0.408 115.018 114.554 0.093 0.000 2.937 417 T HA 0.559 4.909 4.350 -0.001 0.000 0.297 417 T C 0.143 174.916 174.700 0.123 0.000 0.991 417 T CA -0.528 61.640 62.100 0.113 0.000 0.990 417 T CB 1.500 70.419 68.868 0.085 0.000 0.991 417 T HN 0.406 nan 8.240 nan 0.000 0.440 418 I N 3.079 123.751 120.570 0.171 0.000 2.395 418 I HA 0.304 4.474 4.170 -0.001 0.000 0.289 418 I C 0.487 176.733 176.117 0.215 0.000 1.023 418 I CA -0.100 61.313 61.300 0.188 0.000 1.350 418 I CB 0.854 38.978 38.000 0.207 0.000 1.409 418 I HN 0.463 nan 8.210 nan 0.000 0.507 419 Q N 5.093 124.995 119.800 0.170 0.000 2.333 419 Q HA 0.626 4.966 4.340 -0.001 0.000 0.267 419 Q C -1.416 174.680 176.000 0.160 0.000 1.012 419 Q CA -0.657 55.229 55.803 0.138 0.000 0.824 419 Q CB 2.258 31.052 28.738 0.092 0.000 1.290 419 Q HN 0.675 nan 8.270 nan 0.000 0.449 420 C N 1.624 121.018 119.300 0.157 0.000 2.779 420 C HA 0.639 5.099 4.460 -0.001 0.000 0.314 420 C C -0.641 174.289 174.990 -0.099 0.000 1.231 420 C CA -0.741 58.329 59.018 0.086 0.000 1.652 420 C CB 1.816 29.686 27.740 0.217 0.000 2.198 420 C HN 0.797 nan 8.230 nan 0.000 0.483 421 Q N 0.365 119.970 119.800 -0.325 0.000 2.309 421 Q HA 0.642 4.981 4.340 -0.001 0.000 0.273 421 Q C -1.905 173.820 176.000 -0.458 0.000 1.040 421 Q CA -0.297 55.278 55.803 -0.380 0.000 0.834 421 Q CB 2.329 30.896 28.738 -0.286 0.000 1.345 421 Q HN 0.635 nan 8.270 nan 0.000 0.414 422 F N 0.461 120.326 119.950 -0.142 0.000 2.547 422 F HA 0.517 5.044 4.527 -0.001 0.000 0.316 422 F C -1.054 174.623 175.800 -0.204 0.000 1.121 422 F CA -0.620 57.326 58.000 -0.090 0.000 0.911 422 F CB 1.314 40.262 39.000 -0.086 0.000 1.179 422 F HN 0.427 nan 8.300 nan 0.000 0.443 423 W N 1.977 123.241 121.300 -0.060 0.000 2.376 423 W HA 0.690 5.350 4.660 -0.001 0.000 0.312 423 W C 0.201 176.750 176.519 0.050 0.000 1.060 423 W CA -0.700 56.659 57.345 0.024 0.000 1.221 423 W CB 1.856 31.395 29.460 0.132 0.000 1.281 423 W HN 0.684 nan 8.180 nan 0.000 0.456 424 G N 2.039 111.028 108.800 0.315 0.000 2.725 424 G HA2 0.637 4.597 3.960 -0.001 0.000 0.288 424 G HA3 0.637 4.597 3.960 -0.001 0.000 0.288 424 G C -2.217 172.888 174.900 0.342 0.000 1.399 424 G CA -1.061 44.201 45.100 0.270 0.000 0.859 424 G HN 0.351 nan 8.290 nan 0.000 0.479 425 L N 0.566 121.923 121.223 0.223 0.000 2.360 425 L HA 0.752 5.092 4.340 -0.001 0.000 0.271 425 L C 1.045 178.002 176.870 0.145 0.000 1.057 425 L CA -0.198 54.772 54.840 0.216 0.000 0.803 425 L CB 1.284 43.417 42.059 0.124 0.000 1.207 425 L HN 0.745 nan 8.230 nan 0.000 0.445 426 G N 3.000 111.883 108.800 0.137 0.000 2.353 426 G HA2 0.410 4.370 3.960 -0.001 0.000 0.239 426 G HA3 0.410 4.370 3.960 -0.001 0.000 0.239 426 G C 0.557 175.505 174.900 0.079 0.000 1.295 426 G CA 0.198 45.361 45.100 0.106 0.000 0.884 426 G HN 1.779 nan 8.290 nan 0.000 0.537 427 A N 1.784 124.642 122.820 0.062 0.000 2.872 427 A HA -0.158 4.162 4.320 -0.001 0.000 0.273 427 A C 1.215 178.823 177.584 0.040 0.000 1.442 427 A CA 1.487 53.549 52.037 0.043 0.000 0.801 427 A CB -1.735 17.288 19.000 0.038 0.000 1.031 427 A HN 1.159 nan 8.150 nan 0.000 0.582 428 D N -1.782 118.648 120.400 0.050 0.000 2.398 428 D HA 0.396 5.035 4.640 -0.001 0.000 0.210 428 D C 1.393 177.720 176.300 0.045 0.000 1.094 428 D CA 0.769 54.800 54.000 0.051 0.000 0.839 428 D CB -0.534 40.312 40.800 0.076 0.000 0.963 428 D HN 1.763 nan 8.370 nan 0.000 0.506 429 G N -0.035 108.781 108.800 0.027 0.000 2.162 429 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.260 429 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.260 429 G C 1.183 176.082 174.900 -0.002 0.000 0.976 429 G CA 0.876 45.980 45.100 0.005 0.000 0.655 429 G HN 0.357 nan 8.290 nan 0.000 0.533 430 T N 0.322 114.900 114.554 0.039 0.000 2.607 430 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 430 T C 2.521 177.157 174.700 -0.107 0.000 1.049 430 T CA 2.027 64.157 62.100 0.050 0.000 1.162 430 T CB -0.355 68.600 68.868 0.145 0.000 0.863 430 T HN 0.310 nan 8.240 nan 0.000 0.424 431 V N 1.222 121.027 119.914 -0.182 0.000 2.282 431 V HA -0.186 3.934 4.120 -0.001 0.000 0.249 431 V C 2.780 178.655 176.094 -0.364 0.000 1.057 431 V CA 2.131 64.174 62.300 -0.427 0.000 1.032 431 V CB -1.402 30.072 31.823 -0.581 0.000 0.645 431 V HN 0.657 nan 8.190 nan 0.000 0.447 432 G N -0.503 108.169 108.800 -0.212 0.000 2.514 432 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 432 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 432 G C 1.817 176.657 174.900 -0.101 0.000 1.198 432 G CA 1.311 46.325 45.100 -0.143 0.000 0.780 432 G HN 0.646 nan 8.290 nan 0.000 0.565 433 A N 1.285 124.060 122.820 -0.076 0.000 1.927 433 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 433 A C 2.316 179.843 177.584 -0.095 0.000 1.185 433 A CA 2.296 54.306 52.037 -0.045 0.000 0.639 433 A CB -0.618 18.364 19.000 -0.029 0.000 0.820 433 A HN 0.400 nan 8.150 nan 0.000 0.451 434 N N 0.020 118.613 118.700 -0.179 0.000 2.043 434 N HA -0.151 4.588 4.740 -0.001 0.000 0.193 434 N C 1.596 177.130 175.510 0.040 0.000 1.037 434 N CA 1.752 54.705 53.050 -0.162 0.000 0.851 434 N CB -0.435 38.078 38.487 0.043 0.000 1.027 434 N HN 0.605 nan 8.380 nan 0.000 0.422 435 K N 0.566 121.005 120.400 0.065 0.000 2.147 435 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 435 K C 1.993 178.638 176.600 0.075 0.000 1.049 435 K CA 0.771 57.120 56.287 0.103 0.000 0.936 435 K CB 0.045 32.553 32.500 0.014 0.000 0.722 435 K HN 0.212 nan 8.250 nan 0.000 0.446 436 Q N 0.283 120.112 119.800 0.048 0.000 2.020 436 Q HA -0.041 4.298 4.340 -0.001 0.000 0.198 436 Q C 2.205 178.296 176.000 0.151 0.000 0.974 436 Q CA 1.488 57.340 55.803 0.081 0.000 0.829 436 Q CB -0.237 28.545 28.738 0.073 0.000 0.894 436 Q HN 0.310 nan 8.270 nan 0.000 0.433 437 A N 0.577 123.485 122.820 0.147 0.000 2.131 437 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 437 A C 1.980 179.683 177.584 0.198 0.000 1.158 437 A CA 0.996 53.138 52.037 0.174 0.000 0.665 437 A CB -0.586 18.298 19.000 -0.194 0.000 0.795 437 A HN 0.361 nan 8.150 nan 0.000 0.460 438 I N -1.789 118.898 120.570 0.195 0.000 2.494 438 I HA -0.113 4.057 4.170 -0.001 0.000 0.250 438 I C 2.401 178.632 176.117 0.189 0.000 1.112 438 I CA 1.140 62.587 61.300 0.245 0.000 1.438 438 I CB -0.272 37.825 38.000 0.161 0.000 1.111 438 I HN 0.157 nan 8.210 nan 0.000 0.431 439 K N 1.496 121.980 120.400 0.140 0.000 2.026 439 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 439 K C 2.032 178.704 176.600 0.120 0.000 1.048 439 K CA 1.526 57.876 56.287 0.104 0.000 0.929 439 K CB -0.150 32.395 32.500 0.076 0.000 0.713 439 K HN 0.176 nan 8.250 nan 0.000 0.439 440 I N 0.475 121.143 120.570 0.163 0.000 2.127 440 I HA -0.338 3.831 4.170 -0.001 0.000 0.241 440 I C 2.133 178.358 176.117 0.181 0.000 1.075 440 I CA 1.446 62.860 61.300 0.190 0.000 1.334 440 I CB -0.324 37.868 38.000 0.320 0.000 1.040 440 I HN 0.174 nan 8.210 nan 0.000 0.405 441 I N 0.563 121.253 120.570 0.200 0.000 2.072 441 I HA -0.207 3.963 4.170 -0.001 0.000 0.235 441 I C 2.748 178.945 176.117 0.133 0.000 1.058 441 I CA 1.736 63.123 61.300 0.145 0.000 1.320 441 I CB -1.175 36.890 38.000 0.108 0.000 1.047 441 I HN 0.263 nan 8.210 nan 0.000 0.397 442 G N 0.477 109.375 108.800 0.164 0.000 2.507 442 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.221 442 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.221 442 G C 1.066 175.989 174.900 0.038 0.000 1.119 442 G CA 1.425 46.581 45.100 0.093 0.000 0.751 442 G HN 0.357 nan 8.290 nan 0.000 0.574 443 D N -0.321 120.109 120.400 0.049 0.000 2.333 443 D HA 0.046 4.686 4.640 -0.001 0.000 0.208 443 D C 1.560 177.870 176.300 0.017 0.000 0.984 443 D CA 0.298 54.312 54.000 0.023 0.000 0.873 443 D CB 0.103 40.919 40.800 0.028 0.000 0.935 443 D HN 0.269 nan 8.370 nan 0.000 0.521 444 N N -0.084 118.634 118.700 0.031 0.000 2.197 444 N HA 0.047 4.786 4.740 -0.001 0.000 0.228 444 N C -0.063 175.455 175.510 0.014 0.000 1.212 444 N CA 0.212 53.275 53.050 0.022 0.000 0.883 444 N CB 1.728 40.237 38.487 0.036 0.000 1.107 444 N HN 0.180 nan 8.380 nan 0.000 0.519 445 T N -1.907 112.652 114.554 0.008 0.000 2.816 445 T HA 0.258 4.607 4.350 -0.001 0.000 0.299 445 T C -1.093 173.587 174.700 -0.033 0.000 1.230 445 T CA -0.719 61.379 62.100 -0.004 0.000 1.007 445 T CB 2.285 71.160 68.868 0.011 0.000 1.289 445 T HN -0.059 nan 8.240 nan 0.000 0.508 446 D N 1.036 121.401 120.400 -0.058 0.000 2.892 446 D HA 0.269 4.908 4.640 -0.001 0.000 0.291 446 D C -0.133 176.040 176.300 -0.212 0.000 1.341 446 D CA -0.447 53.474 54.000 -0.133 0.000 0.844 446 D CB -0.468 40.260 40.800 -0.119 0.000 1.093 446 D HN 0.510 nan 8.370 nan 0.000 0.480 447 L N 0.163 121.309 121.223 -0.128 0.000 2.360 447 L HA 0.454 4.794 4.340 -0.001 0.000 0.271 447 L C 0.026 176.827 176.870 -0.114 0.000 1.057 447 L CA -1.122 53.688 54.840 -0.051 0.000 0.803 447 L CB 0.940 43.069 42.059 0.116 0.000 1.207 447 L HN -0.094 nan 8.230 nan 0.000 0.445 448 F N 1.105 121.108 119.950 0.087 0.000 2.412 448 F HA 0.513 5.039 4.527 -0.001 0.000 0.348 448 F C 0.608 176.428 175.800 0.033 0.000 1.102 448 F CA -0.297 57.733 58.000 0.051 0.000 1.196 448 F CB 1.093 40.108 39.000 0.024 0.000 1.144 448 F HN 0.385 nan 8.300 nan 0.000 0.541 449 A N 3.440 126.347 122.820 0.145 0.000 2.365 449 A HA 0.692 5.012 4.320 -0.001 0.000 0.318 449 A C -1.040 176.468 177.584 -0.127 0.000 1.091 449 A CA -0.596 51.388 52.037 -0.089 0.000 0.763 449 A CB 1.708 20.722 19.000 0.023 0.000 1.248 449 A HN 0.737 nan 8.150 nan 0.000 0.442 450 Q N 0.880 120.501 119.800 -0.300 0.000 2.379 450 Q HA 0.618 4.958 4.340 -0.001 0.000 0.278 450 Q C -0.912 174.949 176.000 -0.233 0.000 1.068 450 Q CA -0.649 55.048 55.803 -0.177 0.000 0.816 450 Q CB 2.423 31.073 28.738 -0.146 0.000 1.387 450 Q HN 1.151 nan 8.270 nan 0.000 0.413 451 G N 1.849 110.563 108.800 -0.143 0.000 2.740 451 G HA2 0.515 4.475 3.960 -0.001 0.000 0.296 451 G HA3 0.515 4.475 3.960 -0.001 0.000 0.296 451 G C -2.507 172.255 174.900 -0.231 0.000 1.439 451 G CA -0.219 44.721 45.100 -0.266 0.000 1.066 451 G HN 0.446 nan 8.290 nan 0.000 0.527 452 Y N 1.611 121.572 120.300 -0.566 0.000 2.457 452 Y HA 0.743 5.292 4.550 -0.001 0.000 0.343 452 Y C -1.800 173.791 175.900 -0.515 0.000 0.994 452 Y CA -1.912 55.986 58.100 -0.335 0.000 1.031 452 Y CB 1.914 40.280 38.460 -0.157 0.000 1.246 452 Y HN 0.438 nan 8.280 nan 0.000 0.449 453 F N 3.265 122.938 119.950 -0.463 0.000 2.460 453 F HA 0.454 4.981 4.527 -0.001 0.000 0.341 453 F C 0.280 175.789 175.800 -0.486 0.000 1.130 453 F CA -0.693 57.078 58.000 -0.382 0.000 0.962 453 F CB 1.929 40.714 39.000 -0.359 0.000 1.171 453 F HN 0.314 nan 8.300 nan 0.000 0.436 454 S N 2.656 118.247 115.700 -0.182 0.000 2.545 454 S HA 0.446 4.916 4.470 -0.001 0.000 0.275 454 S C -0.520 173.950 174.600 -0.217 0.000 1.299 454 S CA -0.178 57.946 58.200 -0.127 0.000 1.048 454 S CB 0.524 63.677 63.200 -0.078 0.000 0.938 454 S HN 0.477 nan 8.310 nan 0.000 0.496 455 Y N 0.927 121.205 120.300 -0.037 0.000 3.042 455 Y HA 0.518 5.068 4.550 -0.001 0.000 0.339 455 Y C 0.545 176.430 175.900 -0.024 0.000 1.299 455 Y CA -0.623 57.468 58.100 -0.016 0.000 1.059 455 Y CB 0.799 39.264 38.460 0.009 0.000 1.361 455 Y HN 0.468 nan 8.280 nan 0.000 0.755 456 D N -1.237 119.309 120.400 0.244 0.000 2.857 456 D HA 0.147 4.786 4.640 -0.001 0.000 0.227 456 D C -0.236 176.138 176.300 0.123 0.000 1.192 456 D CA -0.074 54.005 54.000 0.132 0.000 0.857 456 D CB 2.538 43.407 40.800 0.115 0.000 1.645 456 D HN 0.424 nan 8.370 nan 0.000 0.482 457 S N 1.502 117.260 115.700 0.096 0.000 2.461 457 S HA -0.001 4.469 4.470 -0.001 0.000 0.228 457 S C 0.579 175.233 174.600 0.091 0.000 1.005 457 S CA 0.480 58.730 58.200 0.084 0.000 0.942 457 S CB 0.110 63.352 63.200 0.070 0.000 0.776 457 S HN 0.260 nan 8.310 nan 0.000 0.514 458 K N 2.368 122.828 120.400 0.100 0.000 2.383 458 K HA 0.135 4.455 4.320 -0.001 0.000 0.286 458 K C 0.680 177.342 176.600 0.103 0.000 1.051 458 K CA 0.080 56.431 56.287 0.106 0.000 0.974 458 K CB 0.841 33.406 32.500 0.107 0.000 0.968 458 K HN 0.265 nan 8.250 nan 0.000 0.475 459 K N 0.591 121.053 120.400 0.103 0.000 2.155 459 K HA -0.029 4.290 4.320 -0.001 0.000 0.203 459 K C 0.803 177.451 176.600 0.080 0.000 1.052 459 K CA 0.748 57.089 56.287 0.091 0.000 0.948 459 K CB 0.203 32.764 32.500 0.103 0.000 0.728 459 K HN 0.260 nan 8.250 nan 0.000 0.448 460 S N -1.037 114.707 115.700 0.073 0.000 2.454 460 S HA 0.441 4.911 4.470 -0.001 0.000 0.306 460 S C 0.282 174.919 174.600 0.061 0.000 1.100 460 S CA -0.136 58.096 58.200 0.054 0.000 1.087 460 S CB 1.489 64.704 63.200 0.025 0.000 1.019 460 S HN 0.522 nan 8.310 nan 0.000 0.480 461 G N 3.174 112.018 108.800 0.074 0.000 2.187 461 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.261 461 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.261 461 G C 0.517 175.500 174.900 0.138 0.000 1.000 461 G CA 0.139 45.298 45.100 0.100 0.000 0.718 461 G HN 1.119 nan 8.290 nan 0.000 0.519 462 G N -0.364 108.513 108.800 0.128 0.000 2.544 462 G HA2 0.550 4.510 3.960 -0.001 0.000 0.242 462 G HA3 0.550 4.510 3.960 -0.001 0.000 0.242 462 G C 0.780 175.769 174.900 0.149 0.000 1.247 462 G CA -0.056 45.126 45.100 0.136 0.000 0.840 462 G HN 1.420 nan 8.290 nan 0.000 0.578 463 I N -1.099 119.537 120.570 0.109 0.000 3.211 463 I HA 0.726 4.896 4.170 -0.001 0.000 0.297 463 I C -0.274 175.842 176.117 -0.002 0.000 1.095 463 I CA -0.234 61.099 61.300 0.055 0.000 1.239 463 I CB 1.586 39.440 38.000 -0.244 0.000 1.455 463 I HN 0.385 nan 8.210 nan 0.000 0.630 464 T N 4.393 118.909 114.554 -0.063 0.000 3.767 464 T HA 0.413 4.762 4.350 -0.001 0.000 0.360 464 T C -1.080 173.472 174.700 -0.248 0.000 1.181 464 T CA -0.315 61.685 62.100 -0.167 0.000 1.110 464 T CB 1.171 69.954 68.868 -0.141 0.000 1.201 464 T HN 0.676 nan 8.240 nan 0.000 0.474 465 I N 2.381 122.722 120.570 -0.382 0.000 2.465 465 I HA 0.817 4.986 4.170 -0.001 0.000 0.291 465 I C -0.590 175.352 176.117 -0.292 0.000 1.014 465 I CA 0.076 61.049 61.300 -0.545 0.000 1.093 465 I CB 1.868 39.241 38.000 -1.045 0.000 1.267 465 I HN 0.481 nan 8.210 nan 0.000 0.431 466 S N 5.230 120.803 115.700 -0.212 0.000 2.593 466 S HA 0.635 5.104 4.470 -0.001 0.000 0.297 466 S C -1.132 173.286 174.600 -0.304 0.000 1.112 466 S CA -0.409 57.762 58.200 -0.048 0.000 1.043 466 S CB 0.909 64.259 63.200 0.250 0.000 1.054 466 S HN 0.692 nan 8.310 nan 0.000 0.516 467 H N 0.932 119.896 119.070 -0.177 0.000 2.800 467 H HA 0.518 5.074 4.556 -0.001 0.000 0.322 467 H C -0.762 174.480 175.328 -0.143 0.000 0.979 467 H CA -0.430 55.566 56.048 -0.088 0.000 1.277 467 H CB 0.561 30.285 29.762 -0.063 0.000 1.484 467 H HN 0.281 nan 8.280 nan 0.000 0.512 468 L N 2.841 124.093 121.223 0.049 0.000 2.322 468 L HA 0.688 5.028 4.340 -0.001 0.000 0.269 468 L C -0.020 176.780 176.870 -0.117 0.000 1.012 468 L CA -0.880 53.927 54.840 -0.055 0.000 0.815 468 L CB 2.080 44.242 42.059 0.171 0.000 1.295 468 L HN 0.525 nan 8.230 nan 0.000 0.438 469 R N 1.415 121.638 120.500 -0.462 0.000 2.566 469 R HA 0.596 4.936 4.340 -0.001 0.000 0.271 469 R C -1.884 174.028 176.300 -0.647 0.000 1.071 469 R CA -0.574 55.330 56.100 -0.326 0.000 0.915 469 R CB 2.385 32.582 30.300 -0.172 0.000 1.228 469 R HN 0.312 nan 8.270 nan 0.000 0.449 470 F N 0.080 120.088 119.950 0.097 0.000 2.576 470 F HA 0.836 5.363 4.527 -0.001 0.000 0.313 470 F C 0.590 176.454 175.800 0.106 0.000 1.078 470 F CA -0.749 57.316 58.000 0.108 0.000 0.921 470 F CB 2.855 41.915 39.000 0.099 0.000 1.232 470 F HN 0.621 nan 8.300 nan 0.000 0.459 471 G N 0.540 109.522 108.800 0.303 0.000 2.519 471 G HA2 0.317 4.277 3.960 -0.001 0.000 0.292 471 G HA3 0.317 4.277 3.960 -0.001 0.000 0.292 471 G C -0.351 174.728 174.900 0.298 0.000 1.507 471 G CA -0.832 44.410 45.100 0.237 0.000 0.806 471 G HN 0.628 nan 8.290 nan 0.000 0.523 472 E N -0.186 120.153 120.200 0.231 0.000 2.274 472 E HA 0.010 4.359 4.350 -0.001 0.000 0.194 472 E C 0.446 177.286 176.600 0.400 0.000 0.996 472 E CA 0.532 57.084 56.400 0.253 0.000 0.840 472 E CB 0.276 30.066 29.700 0.150 0.000 0.772 472 E HN 0.245 nan 8.360 nan 0.000 0.491 473 K N 1.949 122.503 120.400 0.257 0.000 2.118 473 K HA 0.306 4.625 4.320 -0.001 0.000 0.254 473 K C -2.458 173.871 176.600 -0.451 0.000 0.961 473 K CA -2.523 53.782 56.287 0.030 0.000 0.876 473 K CB 1.410 33.902 32.500 -0.013 0.000 1.077 473 K HN -0.067 nan 8.250 nan 0.000 0.440 474 P HA 0.061 nan 4.420 nan 0.000 0.268 474 P C -0.378 176.617 177.300 -0.508 0.000 1.204 474 P CA 0.294 62.586 63.100 -1.346 0.000 0.768 474 P CB 0.371 31.518 31.700 -0.921 0.000 0.842 475 I N 3.872 124.238 120.570 -0.341 0.000 2.281 475 I HA 0.100 4.270 4.170 -0.001 0.000 0.293 475 I C 1.471 177.521 176.117 -0.113 0.000 1.085 475 I CA 0.104 61.311 61.300 -0.155 0.000 1.257 475 I CB 0.123 38.065 38.000 -0.096 0.000 1.430 475 I HN 0.250 nan 8.210 nan 0.000 0.489 476 Q N 3.382 123.136 119.800 -0.077 0.000 2.222 476 Q HA 0.139 4.478 4.340 -0.001 0.000 0.206 476 Q C 0.053 176.055 176.000 0.004 0.000 0.877 476 Q CA -0.086 55.705 55.803 -0.021 0.000 0.958 476 Q CB 0.406 29.151 28.738 0.011 0.000 1.075 476 Q HN 0.586 nan 8.270 nan 0.000 0.483 477 S N 1.976 117.618 115.700 -0.097 0.000 3.036 477 S HA 0.060 4.529 4.470 -0.001 0.000 0.301 477 S C 0.551 174.940 174.600 -0.352 0.000 1.205 477 S CA -0.344 57.685 58.200 -0.285 0.000 0.999 477 S CB 0.044 62.862 63.200 -0.636 0.000 1.337 477 S HN 0.248 nan 8.310 nan 0.000 0.515 478 T N 1.297 115.820 114.554 -0.051 0.000 3.855 478 T HA 0.479 4.828 4.350 -0.001 0.000 0.306 478 T C -0.337 174.382 174.700 0.031 0.000 1.575 478 T CA -0.613 61.460 62.100 -0.045 0.000 1.214 478 T CB -1.128 67.780 68.868 0.066 0.000 1.262 478 T HN 0.601 nan 8.240 nan 0.000 0.883 479 Y N -1.138 119.067 120.300 -0.157 0.000 2.677 479 Y HA 0.640 5.189 4.550 -0.001 0.000 0.334 479 Y C -1.118 174.645 175.900 -0.228 0.000 1.196 479 Y CA -2.106 55.887 58.100 -0.179 0.000 1.059 479 Y CB 0.656 39.053 38.460 -0.104 0.000 1.315 479 Y HN 0.113 nan 8.280 nan 0.000 0.455 480 L N 1.906 123.066 121.223 -0.104 0.000 2.476 480 L HA 0.384 4.724 4.340 -0.001 0.000 0.264 480 L C -0.134 176.726 176.870 -0.016 0.000 1.224 480 L CA -1.100 53.570 54.840 -0.282 0.000 0.821 480 L CB 0.546 42.400 42.059 -0.342 0.000 1.101 480 L HN 0.537 nan 8.230 nan 0.000 0.488 481 V N 1.723 121.730 119.914 0.156 0.000 2.488 481 V HA 0.028 4.148 4.120 -0.001 0.000 0.277 481 V C 0.453 176.675 176.094 0.213 0.000 1.046 481 V CA -0.096 62.330 62.300 0.211 0.000 0.986 481 V CB 0.967 32.932 31.823 0.238 0.000 0.989 481 V HN 0.940 nan 8.190 nan 0.000 0.475 482 N N 3.773 122.580 118.700 0.179 0.000 2.564 482 N HA 0.062 4.801 4.740 -0.001 0.000 0.202 482 N C 0.529 176.100 175.510 0.101 0.000 1.052 482 N CA -0.066 53.066 53.050 0.136 0.000 0.872 482 N CB 0.228 38.787 38.487 0.119 0.000 1.303 482 N HN 0.393 nan 8.380 nan 0.000 0.440 483 R N 1.531 122.090 120.500 0.098 0.000 2.825 483 R HA 0.519 4.859 4.340 -0.001 0.000 0.261 483 R C -0.602 175.744 176.300 0.076 0.000 1.341 483 R CA -0.510 55.633 56.100 0.073 0.000 1.353 483 R CB 0.063 30.401 30.300 0.063 0.000 1.191 483 R HN 0.293 nan 8.270 nan 0.000 0.590 484 A N 1.702 124.562 122.820 0.067 0.000 2.440 484 A HA 0.129 4.448 4.320 -0.001 0.000 0.251 484 A C 0.661 178.295 177.584 0.083 0.000 1.089 484 A CA -0.291 51.787 52.037 0.068 0.000 0.779 484 A CB 0.447 19.468 19.000 0.036 0.000 1.022 484 A HN 0.526 nan 8.150 nan 0.000 0.492 485 D N -0.383 120.089 120.400 0.119 0.000 2.201 485 D HA 0.018 4.658 4.640 -0.001 0.000 0.209 485 D C -0.559 175.867 176.300 0.210 0.000 0.961 485 D CA 1.618 55.707 54.000 0.148 0.000 0.861 485 D CB 0.225 41.115 40.800 0.151 0.000 0.997 485 D HN 0.611 nan 8.370 nan 0.000 0.486 486 Y N 1.242 121.574 120.300 0.052 0.000 2.329 486 Y HA 0.389 4.938 4.550 -0.001 0.000 0.328 486 Y C -1.415 174.476 175.900 -0.016 0.000 0.992 486 Y CA -0.694 57.441 58.100 0.058 0.000 1.151 486 Y CB 1.345 39.836 38.460 0.052 0.000 1.150 486 Y HN -0.395 nan 8.280 nan 0.000 0.450 487 V N 5.838 125.572 119.914 -0.301 0.000 2.495 487 V HA 0.884 5.004 4.120 -0.001 0.000 0.298 487 V C -0.407 175.523 176.094 -0.274 0.000 1.031 487 V CA -0.467 61.678 62.300 -0.259 0.000 0.871 487 V CB 1.283 32.964 31.823 -0.236 0.000 0.988 487 V HN 0.931 nan 8.190 nan 0.000 0.432 488 A N 3.285 126.019 122.820 -0.143 0.000 2.365 488 A HA 0.697 5.017 4.320 -0.001 0.000 0.318 488 A C -0.628 177.152 177.584 0.326 0.000 1.091 488 A CA -0.462 51.670 52.037 0.158 0.000 0.763 488 A CB 1.573 20.823 19.000 0.415 0.000 1.248 488 A HN 0.969 nan 8.150 nan 0.000 0.442 489 C N 3.068 122.632 119.300 0.439 0.000 2.362 489 C HA 0.526 4.985 4.460 -0.001 0.000 0.309 489 C C 0.703 175.915 174.990 0.370 0.000 1.110 489 C CA -0.446 58.791 59.018 0.365 0.000 1.485 489 C CB -1.632 26.309 27.740 0.335 0.000 1.949 489 C HN 0.984 nan 8.230 nan 0.000 0.419 490 H N 2.789 121.970 119.070 0.186 0.000 2.543 490 H HA 0.099 4.655 4.556 -0.001 0.000 0.269 490 H C 0.524 175.797 175.328 -0.092 0.000 1.005 490 H CA 0.179 56.268 56.048 0.067 0.000 1.146 490 H CB 0.164 29.999 29.762 0.123 0.000 1.353 490 H HN 0.711 nan 8.280 nan 0.000 0.595 491 N N 0.919 119.521 118.700 -0.163 0.000 2.558 491 N HA 0.058 4.797 4.740 -0.001 0.000 0.285 491 N C -2.035 173.237 175.510 -0.397 0.000 1.112 491 N CA -1.988 50.813 53.050 -0.414 0.000 0.857 491 N CB 1.539 39.485 38.487 -0.901 0.000 1.376 491 N HN -0.176 nan 8.380 nan 0.000 0.526 492 P HA -0.236 nan 4.420 nan 0.000 0.217 492 P C 1.068 178.393 177.300 0.041 0.000 1.151 492 P CA 1.160 64.149 63.100 -0.184 0.000 0.849 492 P CB 0.199 31.666 31.700 -0.389 0.000 0.787 493 A N -1.028 121.801 122.820 0.016 0.000 2.076 493 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 493 A C 2.108 179.906 177.584 0.358 0.000 1.160 493 A CA 1.266 53.412 52.037 0.181 0.000 0.653 493 A CB -1.555 17.548 19.000 0.172 0.000 0.801 493 A HN 0.096 nan 8.150 nan 0.000 0.455 494 Y N -0.892 119.521 120.300 0.188 0.000 2.163 494 Y HA -0.144 4.406 4.550 -0.001 0.000 0.288 494 Y C 2.687 178.644 175.900 0.096 0.000 1.136 494 Y CA 0.242 58.468 58.100 0.210 0.000 1.147 494 Y CB -1.538 37.008 38.460 0.144 0.000 0.987 494 Y HN 0.170 nan 8.280 nan 0.000 0.509 495 V N 0.558 120.628 119.914 0.259 0.000 2.242 495 V HA -0.362 3.757 4.120 -0.001 0.000 0.257 495 V C 2.286 178.432 176.094 0.087 0.000 1.073 495 V CA 2.757 65.157 62.300 0.166 0.000 1.058 495 V CB -1.146 30.848 31.823 0.286 0.000 0.664 495 V HN 0.490 nan 8.190 nan 0.000 0.451 496 G N -0.098 108.770 108.800 0.113 0.000 2.453 496 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.215 496 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.215 496 G C 1.516 176.403 174.900 -0.023 0.000 1.201 496 G CA 1.396 46.515 45.100 0.032 0.000 0.784 496 G HN 0.814 nan 8.290 nan 0.000 0.545 497 I N -2.944 117.606 120.570 -0.034 0.000 2.333 497 I HA 0.217 4.386 4.170 -0.001 0.000 0.246 497 I C 0.837 176.759 176.117 -0.325 0.000 1.106 497 I CA 0.270 61.447 61.300 -0.206 0.000 1.411 497 I CB -0.297 37.511 38.000 -0.320 0.000 1.082 497 I HN -0.005 nan 8.210 nan 0.000 0.420 498 Y N 1.396 121.636 120.300 -0.101 0.000 2.488 498 Y HA 0.346 4.896 4.550 -0.001 0.000 0.325 498 Y C 0.295 176.034 175.900 -0.270 0.000 1.204 498 Y CA -0.841 57.146 58.100 -0.188 0.000 1.229 498 Y CB 0.425 38.689 38.460 -0.328 0.000 1.274 498 Y HN -0.071 nan 8.280 nan 0.000 0.493 499 D N 2.020 122.405 120.400 -0.024 0.000 2.688 499 D HA 0.072 4.711 4.640 -0.001 0.000 0.228 499 D C 1.109 177.253 176.300 -0.260 0.000 1.116 499 D CA 0.231 54.172 54.000 -0.099 0.000 1.023 499 D CB -0.206 40.602 40.800 0.013 0.000 1.100 499 D HN 0.397 nan 8.370 nan 0.000 0.487 500 I N 0.644 120.897 120.570 -0.527 0.000 2.194 500 I HA -0.262 3.908 4.170 -0.001 0.000 0.246 500 I C 1.536 177.367 176.117 -0.477 0.000 1.093 500 I CA 0.740 61.560 61.300 -0.800 0.000 1.355 500 I CB -0.569 36.983 38.000 -0.746 0.000 1.046 500 I HN 0.318 nan 8.210 nan 0.000 0.413 501 L N 0.847 121.835 121.223 -0.391 0.000 2.685 501 L HA 0.228 4.568 4.340 -0.001 0.000 0.233 501 L C 0.986 177.766 176.870 -0.151 0.000 1.173 501 L CA -0.266 54.373 54.840 -0.334 0.000 0.961 501 L CB -1.474 40.359 42.059 -0.376 0.000 1.217 501 L HN 0.245 nan 8.230 nan 0.000 0.478 502 E N 0.435 120.594 120.200 -0.068 0.000 2.493 502 E HA 0.180 4.529 4.350 -0.001 0.000 0.255 502 E C 1.257 177.864 176.600 0.013 0.000 0.999 502 E CA 0.818 57.215 56.400 -0.005 0.000 0.934 502 E CB 0.339 30.071 29.700 0.053 0.000 0.940 502 E HN 0.500 nan 8.360 nan 0.000 0.473 503 G N 4.367 113.171 108.800 0.007 0.000 2.189 503 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.267 503 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.267 503 G C 0.505 175.414 174.900 0.016 0.000 0.975 503 G CA 0.348 45.461 45.100 0.021 0.000 0.644 503 G HN 0.672 nan 8.290 nan 0.000 0.537 504 I N 1.240 121.803 120.570 -0.011 0.000 2.845 504 I HA 0.199 4.369 4.170 -0.001 0.000 0.296 504 I C 0.952 177.082 176.117 0.022 0.000 1.216 504 I CA 0.141 61.437 61.300 -0.007 0.000 1.438 504 I CB 0.290 38.256 38.000 -0.058 0.000 1.342 504 I HN 0.206 nan 8.210 nan 0.000 0.577 505 K N 5.391 125.818 120.400 0.045 0.000 2.276 505 K HA 0.097 4.417 4.320 -0.001 0.000 0.259 505 K C -0.490 176.149 176.600 0.065 0.000 1.001 505 K CA -0.480 55.840 56.287 0.055 0.000 0.927 505 K CB 0.223 32.763 32.500 0.067 0.000 0.969 505 K HN 0.516 nan 8.250 nan 0.000 0.490 506 D N 0.595 121.032 120.400 0.062 0.000 2.488 506 D HA 0.094 4.734 4.640 -0.001 0.000 0.238 506 D C 0.950 177.306 176.300 0.093 0.000 1.138 506 D CA 1.446 55.490 54.000 0.073 0.000 0.873 506 D CB 0.476 41.313 40.800 0.062 0.000 1.183 506 D HN 0.690 nan 8.370 nan 0.000 0.458 507 G N 2.094 110.963 108.800 0.115 0.000 2.225 507 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.267 507 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.267 507 G C 0.668 175.664 174.900 0.161 0.000 1.024 507 G CA 0.051 45.234 45.100 0.139 0.000 0.784 507 G HN 0.762 nan 8.290 nan 0.000 0.507 508 G N -0.049 108.845 108.800 0.156 0.000 2.355 508 G HA2 0.601 4.561 3.960 -0.001 0.000 0.276 508 G HA3 0.601 4.561 3.960 -0.001 0.000 0.276 508 G C 0.570 175.617 174.900 0.244 0.000 1.198 508 G CA 0.838 46.042 45.100 0.173 0.000 0.876 508 G HN 1.218 nan 8.290 nan 0.000 0.478 509 T N 0.396 115.133 114.554 0.305 0.000 2.855 509 T HA 0.409 4.758 4.350 -0.001 0.000 0.314 509 T C -0.638 174.288 174.700 0.377 0.000 1.077 509 T CA -0.079 62.277 62.100 0.425 0.000 1.095 509 T CB 0.516 69.671 68.868 0.479 0.000 0.987 509 T HN 0.753 nan 8.240 nan 0.000 0.546 510 F N 4.455 124.556 119.950 0.252 0.000 2.651 510 F HA 0.542 5.069 4.527 -0.001 0.000 0.329 510 F C -1.301 174.678 175.800 0.299 0.000 1.186 510 F CA -1.641 56.420 58.000 0.102 0.000 1.046 510 F CB 0.913 39.963 39.000 0.082 0.000 1.296 510 F HN 0.655 nan 8.300 nan 0.000 0.497 511 V N 7.377 127.433 119.914 0.235 0.000 2.769 511 V HA 0.910 5.030 4.120 -0.001 0.000 0.312 511 V C -2.219 173.899 176.094 0.041 0.000 1.058 511 V CA -0.629 61.733 62.300 0.105 0.000 0.952 511 V CB 1.817 33.743 31.823 0.172 0.000 1.019 511 V HN 0.924 nan 8.190 nan 0.000 0.445 512 L N 4.639 125.835 121.223 -0.046 0.000 2.436 512 L HA 0.552 4.891 4.340 -0.001 0.000 0.268 512 L C -0.635 176.199 176.870 -0.060 0.000 0.974 512 L CA -0.391 54.438 54.840 -0.018 0.000 0.826 512 L CB 1.828 43.840 42.059 -0.078 0.000 1.291 512 L HN 0.941 nan 8.230 nan 0.000 0.406 513 N N 3.370 122.050 118.700 -0.033 0.000 2.408 513 N HA 0.557 5.297 4.740 -0.001 0.000 0.257 513 N C -1.115 174.216 175.510 -0.299 0.000 1.064 513 N CA 0.225 53.205 53.050 -0.117 0.000 0.952 513 N CB 0.639 39.092 38.487 -0.056 0.000 1.093 513 N HN 0.779 nan 8.380 nan 0.000 0.490 514 S N 3.658 119.109 115.700 -0.416 0.000 2.580 514 S HA 0.274 4.743 4.470 -0.001 0.000 0.281 514 S C -2.735 171.488 174.600 -0.629 0.000 1.129 514 S CA -0.852 56.868 58.200 -0.800 0.000 0.862 514 S CB 1.896 64.277 63.200 -1.366 0.000 1.090 514 S HN 0.495 nan 8.310 nan 0.000 0.451 515 P HA 0.223 nan 4.420 nan 0.000 0.249 515 P C -0.094 177.153 177.300 -0.088 0.000 1.229 515 P CA 0.037 62.963 63.100 -0.289 0.000 0.788 515 P CB -0.178 31.413 31.700 -0.182 0.000 1.072 516 W N 1.712 122.980 121.300 -0.053 0.000 1.371 516 W HA 0.186 4.846 4.660 -0.001 0.000 0.482 516 W C 0.889 177.453 176.519 0.075 0.000 0.640 516 W CA -0.563 56.792 57.345 0.017 0.000 2.164 516 W CB -1.530 27.930 29.460 0.001 0.000 1.613 516 W HN 0.045 nan 8.180 nan 0.000 0.212 517 S N 0.479 116.316 115.700 0.229 0.000 2.423 517 S HA -0.117 4.352 4.470 -0.001 0.000 0.231 517 S C 1.223 176.004 174.600 0.303 0.000 1.014 517 S CA 0.889 59.213 58.200 0.207 0.000 0.965 517 S CB -0.111 63.157 63.200 0.114 0.000 0.785 517 S HN 0.373 nan 8.310 nan 0.000 0.495 518 S N 1.234 117.114 115.700 0.301 0.000 2.617 518 S HA 0.480 4.949 4.470 -0.001 0.000 0.283 518 S C 0.687 175.531 174.600 0.407 0.000 1.189 518 S CA -0.859 57.502 58.200 0.269 0.000 1.036 518 S CB 1.321 64.628 63.200 0.177 0.000 1.014 518 S HN 0.065 nan 8.310 nan 0.000 0.522 519 L N 1.464 122.886 121.223 0.331 0.000 2.187 519 L HA -0.038 4.301 4.340 -0.001 0.000 0.213 519 L C 2.304 179.391 176.870 0.362 0.000 1.100 519 L CA 2.226 57.338 54.840 0.452 0.000 0.765 519 L CB -1.064 41.116 42.059 0.201 0.000 0.904 519 L HN 1.041 nan 8.230 nan 0.000 0.437 520 E N -0.694 119.649 120.200 0.238 0.000 2.006 520 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 520 E C 1.724 178.419 176.600 0.157 0.000 0.993 520 E CA 1.682 58.182 56.400 0.167 0.000 0.808 520 E CB -0.103 29.669 29.700 0.120 0.000 0.764 520 E HN 0.505 nan 8.360 nan 0.000 0.449 521 D N 0.171 120.693 120.400 0.203 0.000 2.097 521 D HA -0.184 4.456 4.640 -0.001 0.000 0.195 521 D C 1.949 178.387 176.300 0.230 0.000 0.989 521 D CA 1.163 55.297 54.000 0.224 0.000 0.827 521 D CB -0.404 40.610 40.800 0.356 0.000 0.966 521 D HN 0.212 nan 8.370 nan 0.000 0.456 522 M N 1.297 121.105 119.600 0.346 0.000 2.082 522 M HA -0.193 4.286 4.480 -0.001 0.000 0.258 522 M C 1.143 177.534 176.300 0.152 0.000 1.069 522 M CA 1.674 57.165 55.300 0.318 0.000 1.102 522 M CB -0.549 32.276 32.600 0.374 0.000 1.336 522 M HN -0.207 nan 8.290 nan 0.000 0.404 523 D N -0.147 120.384 120.400 0.218 0.000 2.178 523 D HA -0.148 4.491 4.640 -0.001 0.000 0.201 523 D C 1.456 177.696 176.300 -0.099 0.000 0.980 523 D CA 1.391 55.453 54.000 0.104 0.000 0.842 523 D CB -0.345 40.573 40.800 0.197 0.000 0.948 523 D HN 0.576 nan 8.370 nan 0.000 0.472 524 K N -0.724 119.573 120.400 -0.172 0.000 2.504 524 K HA 0.007 4.326 4.320 -0.001 0.000 0.199 524 K C 0.106 176.240 176.600 -0.778 0.000 1.028 524 K CA 0.552 56.610 56.287 -0.383 0.000 1.164 524 K CB 0.064 32.367 32.500 -0.329 0.000 0.877 524 K HN 0.248 nan 8.250 nan 0.000 0.508 525 H N -0.938 117.826 119.070 -0.511 0.000 1.855 525 H HA 0.196 4.752 4.556 -0.001 0.000 0.178 525 H C -0.653 174.352 175.328 -0.539 0.000 0.923 525 H CA -0.592 54.998 56.048 -0.763 0.000 0.993 525 H CB 0.221 28.869 29.762 -1.857 0.000 1.078 525 H HN -0.039 nan 8.280 nan 0.000 0.349 526 L N 4.027 125.056 121.223 -0.324 0.000 2.540 526 L HA 0.081 4.421 4.340 -0.001 0.000 0.276 526 L C -2.121 174.594 176.870 -0.258 0.000 1.212 526 L CA -1.056 53.652 54.840 -0.219 0.000 0.893 526 L CB -0.009 41.890 42.059 -0.267 0.000 1.138 526 L HN 0.117 nan 8.230 nan 0.000 0.491 527 P HA 0.178 nan 4.420 nan 0.000 0.274 527 P C 0.456 177.611 177.300 -0.242 0.000 1.246 527 P CA -0.306 62.678 63.100 -0.193 0.000 0.795 527 P CB 0.667 32.285 31.700 -0.136 0.000 1.006 528 S N 0.376 115.956 115.700 -0.200 0.000 2.359 528 S HA -0.201 4.268 4.470 -0.001 0.000 0.222 528 S C 2.241 176.723 174.600 -0.197 0.000 1.038 528 S CA 1.733 59.813 58.200 -0.200 0.000 1.051 528 S CB -2.144 60.976 63.200 -0.132 0.000 0.944 528 S HN 0.573 nan 8.310 nan 0.000 0.433 529 G N 1.748 110.458 108.800 -0.150 0.000 2.503 529 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.221 529 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.221 529 G C 1.451 176.257 174.900 -0.156 0.000 1.131 529 G CA 1.195 46.218 45.100 -0.129 0.000 0.756 529 G HN 0.573 nan 8.290 nan 0.000 0.572 530 I N 0.245 120.694 120.570 -0.201 0.000 2.233 530 I HA -0.104 4.066 4.170 -0.001 0.000 0.243 530 I C 2.790 178.718 176.117 -0.314 0.000 1.093 530 I CA 1.083 62.246 61.300 -0.228 0.000 1.380 530 I CB -0.181 37.697 38.000 -0.203 0.000 1.067 530 I HN 0.181 nan 8.210 nan 0.000 0.413 531 K N 0.510 120.610 120.400 -0.499 0.000 2.032 531 K HA -0.236 4.084 4.320 -0.001 0.000 0.209 531 K C 2.241 178.717 176.600 -0.207 0.000 1.048 531 K CA 1.388 57.222 56.287 -0.755 0.000 0.927 531 K CB -0.329 31.397 32.500 -1.289 0.000 0.712 531 K HN 0.175 nan 8.250 nan 0.000 0.441 532 R N 0.767 121.170 120.500 -0.161 0.000 2.080 532 R HA -0.107 4.232 4.340 -0.001 0.000 0.236 532 R C 2.488 178.778 176.300 -0.017 0.000 1.137 532 R CA 2.101 58.181 56.100 -0.033 0.000 0.943 532 R CB -0.558 29.710 30.300 -0.054 0.000 0.846 532 R HN 0.157 nan 8.270 nan 0.000 0.431 533 T N 0.784 115.298 114.554 -0.068 0.000 2.635 533 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 533 T C 1.752 176.432 174.700 -0.033 0.000 1.040 533 T CA 1.748 63.814 62.100 -0.057 0.000 1.156 533 T CB -0.227 68.580 68.868 -0.102 0.000 0.863 533 T HN 0.179 nan 8.240 nan 0.000 0.430 534 I N 0.973 121.501 120.570 -0.070 0.000 2.264 534 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 534 I C 2.696 178.808 176.117 -0.008 0.000 1.111 534 I CA 1.134 62.392 61.300 -0.071 0.000 1.382 534 I CB -0.413 37.468 38.000 -0.198 0.000 1.060 534 I HN 0.225 nan 8.210 nan 0.000 0.418 535 A N 1.478 124.334 122.820 0.059 0.000 1.831 535 A HA -0.165 4.154 4.320 -0.001 0.000 0.213 535 A C 1.988 179.677 177.584 0.175 0.000 1.223 535 A CA 1.874 54.027 52.037 0.193 0.000 0.604 535 A CB -0.979 18.180 19.000 0.266 0.000 0.878 535 A HN 0.426 nan 8.150 nan 0.000 0.450 536 N N 0.175 118.944 118.700 0.115 0.000 2.223 536 N HA -0.122 4.618 4.740 -0.001 0.000 0.185 536 N C 1.399 176.960 175.510 0.084 0.000 1.016 536 N CA 1.411 54.516 53.050 0.091 0.000 0.863 536 N CB -0.171 38.352 38.487 0.060 0.000 0.983 536 N HN 0.466 nan 8.380 nan 0.000 0.429 537 K N 0.461 120.909 120.400 0.080 0.000 2.487 537 K HA 0.093 4.412 4.320 -0.001 0.000 0.192 537 K C -0.166 176.500 176.600 0.110 0.000 1.027 537 K CA 0.145 56.478 56.287 0.076 0.000 1.054 537 K CB 0.266 32.798 32.500 0.053 0.000 0.824 537 K HN -0.023 nan 8.250 nan 0.000 0.510 538 K N 0.783 121.273 120.400 0.150 0.000 3.069 538 K HA -0.169 4.150 4.320 -0.001 0.000 0.267 538 K C -0.285 176.449 176.600 0.224 0.000 1.082 538 K CA 0.311 56.714 56.287 0.193 0.000 0.782 538 K CB -1.739 30.842 32.500 0.134 0.000 1.230 538 K HN 0.165 nan 8.250 nan 0.000 0.488 539 L N 0.208 121.574 121.223 0.238 0.000 2.473 539 L HA -0.032 4.308 4.340 -0.001 0.000 0.280 539 L C 0.919 177.993 176.870 0.340 0.000 1.266 539 L CA 0.681 55.679 54.840 0.263 0.000 0.824 539 L CB 0.153 42.356 42.059 0.241 0.000 1.091 539 L HN 0.143 nan 8.230 nan 0.000 0.534 540 K N 1.808 122.413 120.400 0.342 0.000 2.423 540 K HA 0.259 4.578 4.320 -0.001 0.000 0.234 540 K C -0.828 175.988 176.600 0.360 0.000 1.051 540 K CA -0.464 56.001 56.287 0.297 0.000 1.021 540 K CB 0.545 33.266 32.500 0.369 0.000 1.474 540 K HN 0.191 nan 8.250 nan 0.000 0.474 541 F N 2.979 123.012 119.950 0.139 0.000 2.438 541 F HA 0.206 4.732 4.527 -0.001 0.000 0.356 541 F C -0.835 174.897 175.800 -0.113 0.000 1.099 541 F CA -0.828 57.216 58.000 0.073 0.000 1.185 541 F CB 0.193 39.276 39.000 0.139 0.000 1.115 541 F HN 0.297 nan 8.300 nan 0.000 0.526 542 Y N 4.568 124.877 120.300 0.015 0.000 2.326 542 Y HA 0.257 4.806 4.550 -0.001 0.000 0.331 542 Y C -0.008 175.661 175.900 -0.386 0.000 0.962 542 Y CA -1.045 56.974 58.100 -0.135 0.000 1.167 542 Y CB 1.347 39.825 38.460 0.031 0.000 1.148 542 Y HN 0.613 nan 8.280 nan 0.000 0.463 543 N N 3.559 122.053 118.700 -0.344 0.000 2.443 543 N HA 0.674 5.413 4.740 -0.001 0.000 0.295 543 N C -1.570 173.879 175.510 -0.103 0.000 1.076 543 N CA -0.500 52.345 53.050 -0.342 0.000 0.919 543 N CB 1.096 39.321 38.487 -0.437 0.000 1.176 543 N HN 0.738 nan 8.380 nan 0.000 0.487 544 I N 1.724 122.236 120.570 -0.097 0.000 2.607 544 I HA 0.237 4.407 4.170 -0.001 0.000 0.290 544 I C -1.407 174.652 176.117 -0.097 0.000 1.129 544 I CA -0.678 60.591 61.300 -0.052 0.000 1.042 544 I CB 1.760 39.760 38.000 -0.000 0.000 1.242 544 I HN 0.599 nan 8.210 nan 0.000 0.421 545 D N 6.527 126.876 120.400 -0.084 0.000 2.741 545 D HA 0.316 4.955 4.640 -0.001 0.000 0.233 545 D C 1.123 177.376 176.300 -0.078 0.000 1.160 545 D CA 0.286 54.221 54.000 -0.107 0.000 1.003 545 D CB 1.012 41.761 40.800 -0.084 0.000 1.064 545 D HN 0.666 nan 8.370 nan 0.000 0.503 546 A N 1.380 124.153 122.820 -0.079 0.000 1.927 546 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 546 A C 2.284 179.833 177.584 -0.058 0.000 1.185 546 A CA 1.801 53.800 52.037 -0.062 0.000 0.639 546 A CB -0.550 18.407 19.000 -0.072 0.000 0.820 546 A HN 0.397 nan 8.150 nan 0.000 0.451 547 V N 0.570 120.443 119.914 -0.069 0.000 2.252 547 V HA -0.354 3.765 4.120 -0.001 0.000 0.249 547 V C 2.555 178.624 176.094 -0.043 0.000 1.056 547 V CA 2.612 64.879 62.300 -0.055 0.000 1.022 547 V CB -0.883 30.902 31.823 -0.064 0.000 0.641 547 V HN 0.760 nan 8.190 nan 0.000 0.445 548 K N 0.316 120.690 120.400 -0.044 0.000 2.026 548 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 548 K C 2.161 178.744 176.600 -0.027 0.000 1.048 548 K CA 2.010 58.278 56.287 -0.031 0.000 0.929 548 K CB -0.305 32.177 32.500 -0.029 0.000 0.713 548 K HN 0.472 nan 8.250 nan 0.000 0.439 549 I N 1.360 121.912 120.570 -0.029 0.000 2.335 549 I HA -0.255 3.915 4.170 -0.001 0.000 0.251 549 I C 2.563 178.663 176.117 -0.030 0.000 1.129 549 I CA 1.189 62.474 61.300 -0.026 0.000 1.402 549 I CB -0.445 37.541 38.000 -0.023 0.000 1.069 549 I HN 0.282 nan 8.210 nan 0.000 0.424 550 A N 0.704 123.504 122.820 -0.033 0.000 1.929 550 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 550 A C 2.401 179.966 177.584 -0.031 0.000 1.176 550 A CA 2.163 54.179 52.037 -0.035 0.000 0.628 550 A CB -0.933 18.046 19.000 -0.035 0.000 0.816 550 A HN 0.395 nan 8.150 nan 0.000 0.444 551 T N 0.180 114.718 114.554 -0.027 0.000 2.737 551 T HA -0.108 4.241 4.350 -0.001 0.000 0.265 551 T C 1.488 176.176 174.700 -0.021 0.000 1.038 551 T CA 1.384 63.471 62.100 -0.022 0.000 1.144 551 T CB -0.414 68.443 68.868 -0.018 0.000 0.866 551 T HN 0.405 nan 8.240 nan 0.000 0.434 552 D N 1.484 121.872 120.400 -0.021 0.000 2.108 552 D HA -0.107 4.533 4.640 -0.001 0.000 0.190 552 D C 2.264 178.550 176.300 -0.024 0.000 0.995 552 D CA 1.533 55.522 54.000 -0.019 0.000 0.834 552 D CB -0.779 40.010 40.800 -0.017 0.000 0.967 552 D HN 0.394 nan 8.370 nan 0.000 0.446 553 V N -2.444 117.453 119.914 -0.029 0.000 3.488 553 V HA 0.221 4.341 4.120 -0.001 0.000 0.273 553 V C 1.511 177.580 176.094 -0.042 0.000 1.209 553 V CA 1.209 63.486 62.300 -0.037 0.000 1.179 553 V CB -0.478 31.318 31.823 -0.045 0.000 0.842 553 V HN 0.364 nan 8.190 nan 0.000 0.515 554 G N 0.431 109.211 108.800 -0.035 0.000 2.217 554 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.246 554 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.246 554 G C 0.390 175.269 174.900 -0.036 0.000 0.990 554 G CA 0.233 45.313 45.100 -0.034 0.000 0.627 554 G HN 0.561 nan 8.290 nan 0.000 0.522 555 L N 1.775 122.972 121.223 -0.042 0.000 2.798 555 L HA 0.344 4.684 4.340 -0.001 0.000 0.254 555 L C 1.879 178.733 176.870 -0.026 0.000 1.176 555 L CA 0.379 55.194 54.840 -0.040 0.000 0.991 555 L CB -0.815 41.212 42.059 -0.052 0.000 1.225 555 L HN 0.769 nan 8.230 nan 0.000 0.420 556 G N 0.754 109.541 108.800 -0.021 0.000 2.357 556 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.282 556 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.282 556 G C 1.064 175.956 174.900 -0.014 0.000 0.910 556 G CA 0.301 45.393 45.100 -0.014 0.000 1.267 556 G HN 0.752 nan 8.290 nan 0.000 0.476 557 G N -0.331 108.458 108.800 -0.018 0.000 2.379 557 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.297 557 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.297 557 G C 0.546 175.435 174.900 -0.019 0.000 1.004 557 G CA 0.841 45.929 45.100 -0.020 0.000 0.921 557 G HN 0.982 nan 8.290 nan 0.000 0.511 558 R N -0.011 120.478 120.500 -0.018 0.000 2.278 558 R HA 0.347 4.687 4.340 -0.001 0.000 0.322 558 R C 2.040 178.328 176.300 -0.020 0.000 1.058 558 R CA -0.300 55.793 56.100 -0.012 0.000 0.991 558 R CB 0.197 30.496 30.300 -0.002 0.000 1.140 558 R HN 0.548 nan 8.270 nan 0.000 0.518 559 I N 0.810 121.364 120.570 -0.026 0.000 2.850 559 I HA -0.256 3.913 4.170 -0.001 0.000 0.266 559 I C 1.255 177.342 176.117 -0.051 0.000 1.257 559 I CA 1.305 62.578 61.300 -0.044 0.000 1.465 559 I CB -0.300 37.666 38.000 -0.058 0.000 1.091 559 I HN 0.483 nan 8.210 nan 0.000 0.467 560 N N 1.805 120.491 118.700 -0.023 0.000 2.036 560 N HA -0.312 4.428 4.740 -0.001 0.000 0.195 560 N C 1.813 177.320 175.510 -0.005 0.000 1.037 560 N CA 1.922 54.964 53.050 -0.013 0.000 0.855 560 N CB -0.592 37.906 38.487 0.018 0.000 1.033 560 N HN 0.271 nan 8.380 nan 0.000 0.423 561 M N 0.185 119.786 119.600 0.002 0.000 2.279 561 M HA 0.118 4.597 4.480 -0.001 0.000 0.264 561 M C 1.533 177.833 176.300 0.000 0.000 1.062 561 M CA 1.197 56.498 55.300 0.002 0.000 1.099 561 M CB -0.310 32.269 32.600 -0.036 0.000 1.394 561 M HN 0.345 nan 8.290 nan 0.000 0.426 562 I N -1.123 119.438 120.570 -0.016 0.000 2.235 562 I HA -0.246 3.924 4.170 -0.001 0.000 0.241 562 I C 1.837 177.964 176.117 0.017 0.000 1.085 562 I CA 0.829 62.125 61.300 -0.007 0.000 1.378 562 I CB -0.443 37.542 38.000 -0.025 0.000 1.076 562 I HN 0.182 nan 8.210 nan 0.000 0.415 563 M N 0.193 119.767 119.600 -0.042 0.000 2.539 563 M HA -0.172 4.308 4.480 -0.001 0.000 0.261 563 M C 2.124 178.496 176.300 0.121 0.000 1.069 563 M CA 1.355 56.613 55.300 -0.069 0.000 1.081 563 M CB -1.229 31.054 32.600 -0.528 0.000 1.412 563 M HN 0.291 nan 8.290 nan 0.000 0.482 564 Q N 0.211 120.090 119.800 0.132 0.000 2.163 564 Q HA -0.035 4.304 4.340 -0.001 0.000 0.198 564 Q C 1.740 177.973 176.000 0.388 0.000 0.954 564 Q CA 1.773 57.736 55.803 0.267 0.000 0.851 564 Q CB -0.115 28.732 28.738 0.182 0.000 0.928 564 Q HN 0.399 nan 8.270 nan 0.000 0.459 565 T N 0.551 115.232 114.554 0.212 0.000 2.674 565 T HA -0.126 4.224 4.350 -0.001 0.000 0.265 565 T C 1.784 176.611 174.700 0.211 0.000 1.039 565 T CA 1.538 63.738 62.100 0.167 0.000 1.150 565 T CB -0.759 68.147 68.868 0.065 0.000 0.864 565 T HN 0.477 nan 8.240 nan 0.000 0.427 566 A N 1.294 124.233 122.820 0.199 0.000 1.927 566 A HA -0.138 4.182 4.320 -0.001 0.000 0.220 566 A C 1.997 179.699 177.584 0.197 0.000 1.185 566 A CA 1.911 54.067 52.037 0.198 0.000 0.639 566 A CB -1.066 18.086 19.000 0.254 0.000 0.820 566 A HN 0.514 nan 8.150 nan 0.000 0.451 567 F N -0.402 119.648 119.950 0.167 0.000 2.010 567 F HA -0.161 4.366 4.527 -0.001 0.000 0.296 567 F C 1.963 177.645 175.800 -0.196 0.000 1.146 567 F CA 1.968 59.898 58.000 -0.117 0.000 1.181 567 F CB -0.837 38.219 39.000 0.094 0.000 0.965 567 F HN 0.195 nan 8.300 nan 0.000 0.480 568 F N 1.032 120.810 119.950 -0.287 0.000 2.111 568 F HA -0.273 4.254 4.527 -0.001 0.000 0.300 568 F C 2.639 178.228 175.800 -0.352 0.000 1.088 568 F CA 2.302 60.075 58.000 -0.379 0.000 1.243 568 F CB -0.753 38.186 39.000 -0.100 0.000 0.996 568 F HN 0.030 nan 8.300 nan 0.000 0.483 569 K N -0.220 120.166 120.400 -0.024 0.000 1.991 569 K HA -0.113 4.207 4.320 -0.001 0.000 0.207 569 K C 1.645 178.195 176.600 -0.083 0.000 1.045 569 K CA 1.147 57.434 56.287 0.001 0.000 0.937 569 K CB -0.157 32.388 32.500 0.075 0.000 0.720 569 K HN 0.113 nan 8.250 nan 0.000 0.438 570 L N 0.385 121.506 121.223 -0.170 0.000 2.529 570 L HA 0.173 4.513 4.340 -0.001 0.000 0.223 570 L C 2.017 178.744 176.870 -0.238 0.000 1.113 570 L CA 0.730 55.465 54.840 -0.175 0.000 0.861 570 L CB -0.717 41.230 42.059 -0.186 0.000 1.012 570 L HN 0.126 nan 8.230 nan 0.000 0.461 571 A N 0.116 122.569 122.820 -0.612 0.000 1.972 571 A HA 0.156 4.475 4.320 -0.001 0.000 0.219 571 A C 1.971 179.317 177.584 -0.398 0.000 1.169 571 A CA 1.371 52.922 52.037 -0.812 0.000 0.635 571 A CB -0.715 17.352 19.000 -1.554 0.000 0.810 571 A HN 0.550 nan 8.150 nan 0.000 0.446 572 G N -2.053 106.560 108.800 -0.312 0.000 2.136 572 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.242 572 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.242 572 G C 1.007 175.801 174.900 -0.177 0.000 0.989 572 G CA 0.959 45.963 45.100 -0.160 0.000 0.682 572 G HN 1.634 nan 8.290 nan 0.000 0.522 573 V N -2.979 116.740 119.914 -0.326 0.000 2.992 573 V HA 0.663 4.782 4.120 -0.001 0.000 0.250 573 V C 1.035 177.001 176.094 -0.214 0.000 1.090 573 V CA 0.869 62.992 62.300 -0.295 0.000 1.101 573 V CB 0.128 31.601 31.823 -0.584 0.000 0.743 573 V HN 0.392 nan 8.190 nan 0.000 0.468 574 L N 1.406 122.498 121.223 -0.218 0.000 2.409 574 L HA 0.574 4.914 4.340 -0.001 0.000 0.262 574 L C -2.676 174.157 176.870 -0.061 0.000 0.992 574 L CA -1.804 52.965 54.840 -0.118 0.000 0.817 574 L CB 2.782 44.777 42.059 -0.106 0.000 1.350 574 L HN 0.028 nan 8.230 nan 0.000 0.411 575 P HA 0.042 nan 4.420 nan 0.000 0.276 575 P C 0.758 178.092 177.300 0.057 0.000 1.235 575 P CA -0.248 62.875 63.100 0.038 0.000 0.772 575 P CB 0.831 32.553 31.700 0.037 0.000 0.871 576 F N 3.957 123.893 119.950 -0.024 0.000 2.068 576 F HA -0.337 4.190 4.527 -0.001 0.000 0.289 576 F C 1.935 177.731 175.800 -0.007 0.000 1.089 576 F CA 2.322 60.313 58.000 -0.016 0.000 1.263 576 F CB -0.403 38.590 39.000 -0.012 0.000 0.955 576 F HN 0.415 nan 8.300 nan 0.000 0.501 577 E N -0.529 119.635 120.200 -0.061 0.000 2.110 577 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 577 E C 2.076 178.571 176.600 -0.174 0.000 0.988 577 E CA 1.434 57.739 56.400 -0.159 0.000 0.804 577 E CB -0.255 29.473 29.700 0.046 0.000 0.745 577 E HN 0.345 nan 8.360 nan 0.000 0.458 578 K N 1.266 121.606 120.400 -0.099 0.000 2.076 578 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 578 K C 1.901 178.454 176.600 -0.077 0.000 1.051 578 K CA 1.138 57.385 56.287 -0.067 0.000 0.949 578 K CB -0.227 32.259 32.500 -0.024 0.000 0.726 578 K HN 0.060 nan 8.250 nan 0.000 0.443 579 A N 0.398 123.167 122.820 -0.086 0.000 1.841 579 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 579 A C 2.219 179.713 177.584 -0.150 0.000 1.199 579 A CA 2.239 54.281 52.037 0.009 0.000 0.621 579 A CB -1.105 17.888 19.000 -0.012 0.000 0.835 579 A HN 0.114 nan 8.150 nan 0.000 0.445 580 V N 0.846 120.559 119.914 -0.334 0.000 2.720 580 V HA -0.209 3.910 4.120 -0.001 0.000 0.256 580 V C 2.147 178.078 176.094 -0.271 0.000 1.082 580 V CA 2.270 64.353 62.300 -0.362 0.000 1.101 580 V CB -1.051 30.462 31.823 -0.515 0.000 0.693 580 V HN 0.756 nan 8.190 nan 0.000 0.479 581 D N 0.483 120.751 120.400 -0.220 0.000 2.087 581 D HA -0.149 4.491 4.640 -0.001 0.000 0.201 581 D C 1.943 178.163 176.300 -0.133 0.000 0.980 581 D CA 1.129 55.043 54.000 -0.143 0.000 0.849 581 D CB -0.224 40.515 40.800 -0.101 0.000 1.001 581 D HN 0.133 nan 8.370 nan 0.000 0.452 582 L N 0.635 121.792 121.223 -0.110 0.000 2.103 582 L HA -0.162 4.178 4.340 -0.001 0.000 0.215 582 L C 2.548 179.305 176.870 -0.190 0.000 1.080 582 L CA 1.272 56.061 54.840 -0.085 0.000 0.764 582 L CB -1.025 41.047 42.059 0.021 0.000 0.890 582 L HN 0.323 nan 8.230 nan 0.000 0.435 583 L N -1.093 119.893 121.223 -0.395 0.000 2.027 583 L HA -0.263 4.077 4.340 -0.001 0.000 0.206 583 L C 2.542 179.261 176.870 -0.251 0.000 1.074 583 L CA 1.445 55.960 54.840 -0.541 0.000 0.745 583 L CB -0.188 41.418 42.059 -0.755 0.000 0.898 583 L HN 0.292 nan 8.230 nan 0.000 0.433 584 K N -0.421 119.875 120.400 -0.173 0.000 2.097 584 K HA -0.163 4.156 4.320 -0.001 0.000 0.205 584 K C 2.042 178.665 176.600 0.039 0.000 1.050 584 K CA 1.015 57.266 56.287 -0.061 0.000 0.938 584 K CB 0.011 32.487 32.500 -0.039 0.000 0.718 584 K HN 0.267 nan 8.250 nan 0.000 0.442 585 K N 0.660 121.060 120.400 -0.000 0.000 2.103 585 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 585 K C 2.316 178.956 176.600 0.065 0.000 1.048 585 K CA 1.792 58.098 56.287 0.032 0.000 0.930 585 K CB -0.182 32.313 32.500 -0.009 0.000 0.716 585 K HN 0.212 nan 8.250 nan 0.000 0.444 586 S N 1.081 116.797 115.700 0.026 0.000 2.414 586 S HA -0.023 4.446 4.470 -0.001 0.000 0.227 586 S C 2.037 176.693 174.600 0.094 0.000 1.022 586 S CA 0.327 58.553 58.200 0.044 0.000 0.958 586 S CB -0.251 62.959 63.200 0.017 0.000 0.797 586 S HN 0.086 nan 8.310 nan 0.000 0.493 587 I N 1.922 122.536 120.570 0.073 0.000 2.335 587 I HA -0.167 4.002 4.170 -0.001 0.000 0.251 587 I C 2.252 178.414 176.117 0.075 0.000 1.129 587 I CA 1.631 62.979 61.300 0.080 0.000 1.402 587 I CB -1.368 36.554 38.000 -0.130 0.000 1.069 587 I HN 0.411 nan 8.210 nan 0.000 0.424 588 H N 0.215 119.330 119.070 0.075 0.000 2.384 588 H HA -0.010 4.546 4.556 -0.001 0.000 0.300 588 H C 2.321 177.685 175.328 0.061 0.000 1.057 588 H CA 1.060 57.146 56.048 0.064 0.000 1.370 588 H CB 0.143 29.915 29.762 0.016 0.000 1.417 588 H HN 0.120 nan 8.280 nan 0.000 0.527 589 K N 0.879 121.371 120.400 0.153 0.000 1.969 589 K HA -0.052 4.268 4.320 -0.001 0.000 0.216 589 K C 0.915 177.532 176.600 0.028 0.000 1.048 589 K CA 0.947 57.276 56.287 0.070 0.000 0.948 589 K CB -0.223 32.301 32.500 0.039 0.000 0.726 589 K HN 0.236 nan 8.250 nan 0.000 0.442 590 A N 0.074 122.889 122.820 -0.008 0.000 2.346 590 A HA 0.313 4.632 4.320 -0.001 0.000 0.252 590 A C -0.704 176.810 177.584 -0.118 0.000 1.089 590 A CA -0.208 51.731 52.037 -0.163 0.000 0.797 590 A CB -0.260 18.577 19.000 -0.271 0.000 1.047 590 A HN 0.423 nan 8.150 nan 0.000 0.494 591 Y N -1.656 118.622 120.300 -0.037 0.000 2.499 591 Y HA -0.041 4.508 4.550 -0.001 0.000 0.044 591 Y C 1.447 177.328 175.900 -0.033 0.000 1.695 591 Y CA 1.002 59.071 58.100 -0.052 0.000 1.424 591 Y CB -1.272 37.131 38.460 -0.095 0.000 2.069 591 Y HN 2.390 nan 8.280 nan 0.000 0.253 592 G N -0.784 108.098 108.800 0.137 0.000 2.132 592 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.228 592 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.228 592 G C 0.501 175.431 174.900 0.050 0.000 1.000 592 G CA 0.893 46.043 45.100 0.083 0.000 0.693 592 G HN 0.888 nan 8.290 nan 0.000 0.515 593 K N -0.058 120.376 120.400 0.056 0.000 2.558 593 K HA 0.417 4.736 4.320 -0.001 0.000 0.191 593 K C 0.938 177.556 176.600 0.030 0.000 1.085 593 K CA 0.046 56.351 56.287 0.031 0.000 1.163 593 K CB 0.141 32.664 32.500 0.038 0.000 1.559 593 K HN 0.067 nan 8.250 nan 0.000 0.466 594 K N 1.844 122.265 120.400 0.035 0.000 2.278 594 K HA 0.110 4.430 4.320 -0.001 0.000 0.289 594 K C 0.390 177.005 176.600 0.024 0.000 1.080 594 K CA 0.261 56.562 56.287 0.024 0.000 0.934 594 K CB 0.067 32.579 32.500 0.020 0.000 1.093 594 K HN 0.666 nan 8.250 nan 0.000 0.459 595 G N 3.072 111.884 108.800 0.021 0.000 2.448 595 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.904 595 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.904 595 G C 0.847 175.756 174.900 0.015 0.000 1.410 595 G CA 0.139 45.251 45.100 0.019 0.000 0.886 595 G HN 0.684 nan 8.290 nan 0.000 0.502 596 E N -0.078 120.128 120.200 0.010 0.000 2.046 596 E HA -0.089 4.260 4.350 -0.001 0.000 0.190 596 E C 2.471 179.051 176.600 -0.033 0.000 0.982 596 E CA 1.222 57.621 56.400 -0.001 0.000 0.800 596 E CB -0.464 29.244 29.700 0.013 0.000 0.756 596 E HN 0.581 nan 8.360 nan 0.000 0.449 597 K N 0.681 121.065 120.400 -0.026 0.000 2.030 597 K HA -0.235 4.085 4.320 -0.001 0.000 0.222 597 K C 2.115 178.673 176.600 -0.069 0.000 1.056 597 K CA 2.129 58.392 56.287 -0.039 0.000 0.957 597 K CB -0.264 32.221 32.500 -0.026 0.000 0.727 597 K HN -0.000 nan 8.250 nan 0.000 0.452 598 I N 1.070 121.602 120.570 -0.064 0.000 2.087 598 I HA -0.303 3.867 4.170 -0.001 0.000 0.240 598 I C 2.537 178.526 176.117 -0.212 0.000 1.054 598 I CA 1.276 62.515 61.300 -0.102 0.000 1.311 598 I CB -1.436 36.546 38.000 -0.031 0.000 1.024 598 I HN 0.152 nan 8.210 nan 0.000 0.402 599 V N 1.484 121.276 119.914 -0.203 0.000 2.218 599 V HA -0.383 3.737 4.120 -0.001 0.000 0.251 599 V C 2.657 178.564 176.094 -0.311 0.000 1.057 599 V CA 2.806 64.912 62.300 -0.324 0.000 1.022 599 V CB -1.023 30.634 31.823 -0.276 0.000 0.645 599 V HN 0.392 nan 8.190 nan 0.000 0.451 600 K N 0.313 120.599 120.400 -0.190 0.000 2.089 600 K HA -0.239 4.080 4.320 -0.001 0.000 0.210 600 K C 2.108 178.625 176.600 -0.138 0.000 1.048 600 K CA 2.439 58.647 56.287 -0.131 0.000 0.926 600 K CB -0.704 31.756 32.500 -0.068 0.000 0.714 600 K HN 0.492 nan 8.250 nan 0.000 0.448 601 M N -0.051 119.464 119.600 -0.142 0.000 2.446 601 M HA -0.145 4.334 4.480 -0.001 0.000 0.263 601 M C 0.596 176.796 176.300 -0.167 0.000 1.066 601 M CA 1.770 56.992 55.300 -0.129 0.000 1.087 601 M CB -0.157 32.375 32.600 -0.112 0.000 1.406 601 M HN 0.285 nan 8.290 nan 0.000 0.459 602 N N -1.202 117.348 118.700 -0.250 0.000 2.368 602 N HA -0.022 4.717 4.740 -0.001 0.000 0.178 602 N C 1.380 176.757 175.510 -0.221 0.000 1.021 602 N CA 1.400 54.271 53.050 -0.300 0.000 0.875 602 N CB 0.003 38.156 38.487 -0.557 0.000 1.020 602 N HN 0.180 nan 8.380 nan 0.000 0.433 603 T N 1.054 115.482 114.554 -0.209 0.000 2.652 603 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 603 T C 0.930 175.572 174.700 -0.097 0.000 1.039 603 T CA 1.367 63.382 62.100 -0.142 0.000 1.153 603 T CB -0.410 68.391 68.868 -0.111 0.000 0.863 603 T HN 0.194 nan 8.240 nan 0.000 0.428 604 D N 1.155 121.503 120.400 -0.087 0.000 2.190 604 D HA -0.067 4.572 4.640 -0.001 0.000 0.200 604 D C 2.228 178.493 176.300 -0.057 0.000 0.992 604 D CA 1.184 55.147 54.000 -0.061 0.000 0.854 604 D CB -0.401 40.365 40.800 -0.057 0.000 0.936 604 D HN 0.436 nan 8.370 nan 0.000 0.462 605 A N 0.476 123.251 122.820 -0.076 0.000 1.898 605 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 605 A C 2.535 180.089 177.584 -0.050 0.000 1.181 605 A CA 1.127 53.126 52.037 -0.063 0.000 0.620 605 A CB -0.628 18.324 19.000 -0.080 0.000 0.819 605 A HN 0.152 nan 8.150 nan 0.000 0.442 606 V N 0.613 120.487 119.914 -0.066 0.000 2.295 606 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 606 V C 2.216 178.291 176.094 -0.031 0.000 1.049 606 V CA 2.301 64.567 62.300 -0.058 0.000 1.024 606 V CB -0.934 30.834 31.823 -0.092 0.000 0.648 606 V HN 0.462 nan 8.190 nan 0.000 0.447 607 D N -0.233 120.149 120.400 -0.030 0.000 2.095 607 D HA -0.227 4.413 4.640 -0.001 0.000 0.192 607 D C 2.240 178.546 176.300 0.010 0.000 0.990 607 D CA 1.798 55.795 54.000 -0.005 0.000 0.836 607 D CB -0.372 40.422 40.800 -0.010 0.000 0.979 607 D HN 0.467 nan 8.370 nan 0.000 0.447 608 Q N -0.185 119.615 119.800 -0.001 0.000 2.226 608 Q HA -0.117 4.223 4.340 -0.001 0.000 0.204 608 Q C 1.908 177.917 176.000 0.015 0.000 0.975 608 Q CA 1.335 57.142 55.803 0.006 0.000 0.866 608 Q CB -0.056 28.679 28.738 -0.005 0.000 0.915 608 Q HN 0.254 nan 8.270 nan 0.000 0.440 609 A N -0.417 122.409 122.820 0.010 0.000 1.877 609 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 609 A C 2.153 179.765 177.584 0.046 0.000 1.186 609 A CA 1.596 53.646 52.037 0.022 0.000 0.620 609 A CB -0.752 18.258 19.000 0.016 0.000 0.822 609 A HN 0.292 nan 8.150 nan 0.000 0.443 610 V N -0.088 119.859 119.914 0.055 0.000 2.515 610 V HA -0.199 3.920 4.120 -0.001 0.000 0.250 610 V C 2.694 178.844 176.094 0.093 0.000 1.058 610 V CA 2.364 64.722 62.300 0.097 0.000 1.064 610 V CB -1.118 30.785 31.823 0.132 0.000 0.675 610 V HN 0.643 nan 8.190 nan 0.000 0.461 611 T N -0.421 114.172 114.554 0.065 0.000 2.812 611 T HA -0.114 4.235 4.350 -0.001 0.000 0.264 611 T C 1.893 176.621 174.700 0.045 0.000 1.042 611 T CA 1.697 63.827 62.100 0.050 0.000 1.140 611 T CB -0.190 68.698 68.868 0.033 0.000 0.870 611 T HN 0.501 nan 8.240 nan 0.000 0.445 612 S N 0.921 116.646 115.700 0.043 0.000 2.603 612 S HA 0.190 4.659 4.470 -0.001 0.000 0.220 612 S C 0.477 175.117 174.600 0.067 0.000 0.967 612 S CA -0.045 58.180 58.200 0.041 0.000 0.920 612 S CB -0.127 63.089 63.200 0.026 0.000 0.773 612 S HN 0.116 nan 8.310 nan 0.000 0.529 613 L N 3.682 124.959 121.223 0.089 0.000 2.399 613 L HA 0.345 4.685 4.340 -0.001 0.000 0.257 613 L C -0.204 176.807 176.870 0.233 0.000 1.236 613 L CA 0.325 55.250 54.840 0.142 0.000 1.144 613 L CB -0.641 41.476 42.059 0.097 0.000 1.379 613 L HN 0.124 nan 8.230 nan 0.000 0.414 614 Q N 0.845 120.783 119.800 0.230 0.000 2.399 614 Q HA 0.316 4.655 4.340 -0.001 0.000 0.276 614 Q C -0.458 175.594 176.000 0.086 0.000 1.098 614 Q CA -0.815 55.108 55.803 0.200 0.000 0.827 614 Q CB 1.804 30.581 28.738 0.064 0.000 1.386 614 Q HN 0.298 nan 8.270 nan 0.000 0.443 615 E N 1.102 121.214 120.200 -0.146 0.000 2.480 615 E HA -0.020 4.329 4.350 -0.001 0.000 0.258 615 E C -1.055 175.414 176.600 -0.219 0.000 0.984 615 E CA 0.013 56.134 56.400 -0.464 0.000 0.930 615 E CB 0.324 29.792 29.700 -0.386 0.000 0.936 615 E HN 0.348 nan 8.360 nan 0.000 0.466 616 F N 4.979 124.730 119.950 -0.332 0.000 2.444 616 F HA 0.226 4.752 4.527 -0.001 0.000 0.360 616 F C -0.068 175.662 175.800 -0.115 0.000 1.106 616 F CA -0.577 57.287 58.000 -0.226 0.000 1.170 616 F CB 0.472 39.237 39.000 -0.391 0.000 1.113 616 F HN 0.202 nan 8.300 nan 0.000 0.521 617 K N 6.479 126.590 120.400 -0.481 0.000 2.205 617 K HA 0.324 4.644 4.320 -0.001 0.000 0.279 617 K C -1.610 174.688 176.600 -0.503 0.000 1.027 617 K CA -0.265 55.744 56.287 -0.463 0.000 0.932 617 K CB 0.360 32.609 32.500 -0.418 0.000 1.032 617 K HN 0.594 nan 8.250 nan 0.000 0.466 618 Y N 1.320 121.396 120.300 -0.373 0.000 2.545 618 Y HA 0.624 5.173 4.550 -0.001 0.000 0.348 618 Y C -2.513 173.094 175.900 -0.488 0.000 1.002 618 Y CA -3.082 54.664 58.100 -0.589 0.000 1.039 618 Y CB 0.164 37.978 38.460 -1.077 0.000 1.271 618 Y HN 0.484 nan 8.280 nan 0.000 0.467 619 P HA -0.033 nan 4.420 nan 0.000 0.265 619 P C 0.140 177.446 177.300 0.010 0.000 1.193 619 P CA 0.201 63.219 63.100 -0.137 0.000 0.765 619 P CB 1.289 32.957 31.700 -0.053 0.000 0.823 620 D N 1.440 121.869 120.400 0.048 0.000 2.221 620 D HA -0.155 4.484 4.640 -0.001 0.000 0.204 620 D C 1.767 178.176 176.300 0.181 0.000 0.982 620 D CA 1.368 55.437 54.000 0.116 0.000 0.857 620 D CB 0.144 40.983 40.800 0.066 0.000 0.934 620 D HN 0.434 nan 8.370 nan 0.000 0.475 621 S N -0.237 115.571 115.700 0.180 0.000 2.400 621 S HA -0.222 4.248 4.470 -0.001 0.000 0.234 621 S C 1.772 176.572 174.600 0.333 0.000 1.049 621 S CA 1.278 59.613 58.200 0.225 0.000 1.039 621 S CB -0.672 62.667 63.200 0.232 0.000 0.856 621 S HN 0.359 nan 8.310 nan 0.000 0.465 622 W N 1.789 123.147 121.300 0.095 0.000 2.325 622 W HA -0.001 4.658 4.660 -0.001 0.000 0.299 622 W C 2.472 179.010 176.519 0.030 0.000 1.215 622 W CA 0.859 58.237 57.345 0.055 0.000 1.244 622 W CB -0.907 28.580 29.460 0.046 0.000 1.140 622 W HN 0.397 nan 8.180 nan 0.000 0.523 623 K N -0.295 120.267 120.400 0.271 0.000 2.228 623 K HA -0.205 4.115 4.320 -0.001 0.000 0.205 623 K C -0.104 176.554 176.600 0.097 0.000 1.045 623 K CA 1.780 58.162 56.287 0.157 0.000 0.931 623 K CB -0.453 32.128 32.500 0.135 0.000 0.727 623 K HN 0.338 nan 8.250 nan 0.000 0.458 624 D N -1.813 118.645 120.400 0.096 0.000 2.997 624 D HA 0.212 4.852 4.640 -0.001 0.000 0.362 624 D C -0.850 175.472 176.300 0.037 0.000 1.298 624 D CA -0.461 53.569 54.000 0.051 0.000 0.756 624 D CB 0.628 41.454 40.800 0.044 0.000 1.216 624 D HN 0.020 nan 8.370 nan 0.000 0.496 625 A N 1.624 124.454 122.820 0.017 0.000 2.425 625 A HA 0.615 4.935 4.320 -0.001 0.000 0.249 625 A C -2.427 175.127 177.584 -0.049 0.000 1.084 625 A CA -0.747 51.271 52.037 -0.031 0.000 0.781 625 A CB 0.219 19.133 19.000 -0.143 0.000 1.019 625 A HN 0.316 nan 8.150 nan 0.000 0.490 626 P HA 0.554 nan 4.420 nan 0.000 0.319 626 P C -0.435 176.830 177.300 -0.058 0.000 1.523 626 P CA 0.029 63.101 63.100 -0.047 0.000 1.207 626 P CB 1.720 33.405 31.700 -0.025 0.000 1.493 627 A N 2.297 125.081 122.820 -0.060 0.000 2.677 627 A HA -0.093 4.226 4.320 -0.001 0.000 0.250 627 A C 0.465 178.011 177.584 -0.064 0.000 1.832 627 A CA 1.275 53.275 52.037 -0.061 0.000 1.995 627 A CB -0.823 18.148 19.000 -0.047 0.000 1.247 627 A HN 0.768 nan 8.150 nan 0.000 0.547 628 E N -0.045 120.116 120.200 -0.066 0.000 2.334 628 E HA 0.726 5.075 4.350 -0.001 0.000 0.256 628 E C 0.006 176.575 176.600 -0.052 0.000 0.958 628 E CA -0.261 56.100 56.400 -0.064 0.000 0.821 628 E CB 1.392 31.046 29.700 -0.077 0.000 1.269 628 E HN 1.142 nan 8.360 nan 0.000 0.413 629 T N -0.672 113.852 114.554 -0.050 0.000 2.867 629 T HA 0.413 4.762 4.350 -0.001 0.000 0.282 629 T C -0.581 174.096 174.700 -0.039 0.000 1.000 629 T CA -1.073 61.003 62.100 -0.041 0.000 1.042 629 T CB 0.890 69.736 68.868 -0.037 0.000 0.973 629 T HN 0.506 nan 8.240 nan 0.000 0.465 630 K N 2.478 122.857 120.400 -0.034 0.000 2.220 630 K HA 0.591 4.910 4.320 -0.001 0.000 0.283 630 K C 0.211 176.794 176.600 -0.027 0.000 1.098 630 K CA -0.581 55.687 56.287 -0.031 0.000 0.928 630 K CB 0.354 32.837 32.500 -0.029 0.000 1.214 630 K HN 0.598 nan 8.250 nan 0.000 0.442 631 A N 3.835 126.639 122.820 -0.026 0.000 3.063 631 A HA 0.109 4.429 4.320 -0.001 0.000 0.263 631 A C -0.543 177.029 177.584 -0.020 0.000 1.736 631 A CA -0.678 51.346 52.037 -0.022 0.000 1.408 631 A CB -0.843 18.144 19.000 -0.021 0.000 1.108 631 A HN 0.812 nan 8.150 nan 0.000 0.621 632 E N 1.525 121.711 120.200 -0.022 0.000 2.191 632 E HA 0.682 5.031 4.350 -0.001 0.000 0.278 632 E C -2.301 174.281 176.600 -0.029 0.000 0.972 632 E CA -1.655 54.730 56.400 -0.025 0.000 0.804 632 E CB 0.826 30.511 29.700 -0.026 0.000 1.110 632 E HN 0.338 nan 8.360 nan 0.000 0.394 633 P HA 0.282 nan 4.420 nan 0.000 0.287 633 P C -0.927 176.334 177.300 -0.065 0.000 1.296 633 P CA -0.891 62.188 63.100 -0.035 0.000 0.811 633 P CB 0.635 32.322 31.700 -0.022 0.000 1.211 634 M N 0.448 120.018 119.600 -0.051 0.000 2.217 634 M HA 0.357 4.837 4.480 -0.001 0.000 0.354 634 M C -0.318 175.848 176.300 -0.223 0.000 1.225 634 M CA 0.679 55.922 55.300 -0.096 0.000 1.137 634 M CB -0.172 32.402 32.600 -0.043 0.000 1.576 634 M HN 0.417 nan 8.290 nan 0.000 0.461 635 T N 3.959 118.253 114.554 -0.433 0.000 2.900 635 T HA 0.536 4.886 4.350 -0.001 0.000 0.303 635 T C -0.477 173.790 174.700 -0.721 0.000 1.142 635 T CA -0.864 60.612 62.100 -1.039 0.000 1.007 635 T CB 0.866 69.281 68.868 -0.755 0.000 1.156 635 T HN 0.772 nan 8.240 nan 0.000 0.490 636 N N 2.421 120.609 118.700 -0.853 0.000 2.297 636 N HA 0.024 4.763 4.740 -0.001 0.000 0.232 636 N C 1.541 177.027 175.510 -0.041 0.000 1.311 636 N CA -0.191 52.718 53.050 -0.234 0.000 0.897 636 N CB 0.470 38.967 38.487 0.016 0.000 1.137 636 N HN 0.794 nan 8.380 nan 0.000 0.449 637 E N 0.368 120.585 120.200 0.028 0.000 2.204 637 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 637 E C 1.358 178.024 176.600 0.109 0.000 0.990 637 E CA 1.245 57.673 56.400 0.046 0.000 0.821 637 E CB -0.389 29.340 29.700 0.048 0.000 0.750 637 E HN 0.633 nan 8.360 nan 0.000 0.477 638 F N 0.239 120.188 119.950 -0.001 0.000 2.317 638 F HA 0.100 4.627 4.527 -0.001 0.000 0.293 638 F C 2.064 177.890 175.800 0.043 0.000 1.085 638 F CA 0.410 58.415 58.000 0.008 0.000 1.390 638 F CB -0.244 38.775 39.000 0.031 0.000 1.077 638 F HN -0.035 nan 8.300 nan 0.000 0.517 639 F N 1.370 121.362 119.950 0.071 0.000 2.102 639 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 639 F C 2.444 178.168 175.800 -0.127 0.000 1.105 639 F CA 2.089 60.078 58.000 -0.020 0.000 1.239 639 F CB -0.520 38.428 39.000 -0.086 0.000 0.991 639 F HN -0.136 nan 8.300 nan 0.000 0.474 640 K N 0.417 120.907 120.400 0.151 0.000 2.044 640 K HA -0.218 4.102 4.320 -0.001 0.000 0.210 640 K C 1.627 178.177 176.600 -0.084 0.000 1.049 640 K CA 2.145 58.457 56.287 0.042 0.000 0.927 640 K CB -0.264 32.236 32.500 -0.000 0.000 0.713 640 K HN 0.214 nan 8.250 nan 0.000 0.443 641 N N -1.153 117.459 118.700 -0.147 0.000 2.424 641 N HA 0.002 4.742 4.740 -0.001 0.000 0.178 641 N C 0.912 176.208 175.510 -0.356 0.000 1.060 641 N CA 0.748 53.667 53.050 -0.217 0.000 0.901 641 N CB 0.844 39.227 38.487 -0.173 0.000 0.979 641 N HN 0.055 nan 8.380 nan 0.000 0.451 642 V N -0.969 118.615 119.914 -0.550 0.000 3.261 642 V HA 0.053 4.173 4.120 -0.001 0.000 0.212 642 V C 1.845 177.654 176.094 -0.475 0.000 1.381 642 V CA 0.321 62.250 62.300 -0.619 0.000 1.322 642 V CB -0.062 31.114 31.823 -1.078 0.000 1.188 642 V HN 0.037 nan 8.190 nan 0.000 0.520 643 V N 0.388 119.952 119.914 -0.584 0.000 2.667 643 V HA -0.122 3.998 4.120 -0.001 0.000 0.252 643 V C 2.119 177.859 176.094 -0.590 0.000 1.065 643 V CA 2.804 64.831 62.300 -0.454 0.000 1.083 643 V CB -0.277 31.363 31.823 -0.305 0.000 0.692 643 V HN 0.562 nan 8.190 nan 0.000 0.468 644 K N 0.339 120.325 120.400 -0.690 0.000 2.044 644 K HA 0.023 4.343 4.320 -0.001 0.000 0.204 644 K C -0.024 176.457 176.600 -0.198 0.000 1.049 644 K CA 1.404 57.430 56.287 -0.436 0.000 0.945 644 K CB -0.940 31.441 32.500 -0.197 0.000 0.724 644 K HN 0.452 nan 8.250 nan 0.000 0.440 645 P HA -0.165 nan 4.420 nan 0.000 0.216 645 P C 1.021 178.293 177.300 -0.046 0.000 1.153 645 P CA 1.346 64.390 63.100 -0.093 0.000 0.858 645 P CB 0.064 31.698 31.700 -0.109 0.000 0.789 646 I N -1.498 119.039 120.570 -0.056 0.000 2.202 646 I HA -0.199 3.971 4.170 -0.001 0.000 0.242 646 I C 2.164 178.297 176.117 0.027 0.000 1.091 646 I CA 1.240 62.544 61.300 0.007 0.000 1.368 646 I CB -0.715 37.304 38.000 0.032 0.000 1.058 646 I HN -0.142 nan 8.210 nan 0.000 0.410 647 L N 0.328 121.548 121.223 -0.005 0.000 2.265 647 L HA -0.153 4.187 4.340 -0.001 0.000 0.215 647 L C 1.958 178.902 176.870 0.122 0.000 1.117 647 L CA 1.486 56.356 54.840 0.050 0.000 0.782 647 L CB -1.001 41.060 42.059 0.004 0.000 0.914 647 L HN 0.437 nan 8.230 nan 0.000 0.441 648 T N -4.066 110.528 114.554 0.068 0.000 3.251 648 T HA 0.123 4.473 4.350 -0.001 0.000 0.259 648 T C 0.509 175.344 174.700 0.226 0.000 0.998 648 T CA -0.470 61.684 62.100 0.091 0.000 0.905 648 T CB 0.283 69.120 68.868 -0.052 0.000 1.067 648 T HN 0.260 nan 8.240 nan 0.000 0.569 649 Q N 0.706 120.636 119.800 0.216 0.000 2.487 649 Q HA -0.150 4.189 4.340 -0.001 0.000 0.279 649 Q C -0.459 175.606 176.000 0.109 0.000 1.228 649 Q CA 0.759 56.661 55.803 0.165 0.000 0.873 649 Q CB -2.260 26.614 28.738 0.228 0.000 1.260 649 Q HN 0.745 nan 8.270 nan 0.000 0.471 650 Q N -1.461 118.382 119.800 0.072 0.000 2.333 650 Q HA 0.344 4.683 4.340 -0.001 0.000 0.365 650 Q C 1.169 177.192 176.000 0.038 0.000 0.882 650 Q CA 0.561 56.392 55.803 0.048 0.000 1.124 650 Q CB 0.997 29.752 28.738 0.029 0.000 1.345 650 Q HN 0.374 nan 8.270 nan 0.000 0.409 651 G N 0.240 109.071 108.800 0.051 0.000 2.662 651 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.212 651 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.212 651 G C 0.726 175.686 174.900 0.100 0.000 1.141 651 G CA 0.139 45.289 45.100 0.083 0.000 0.797 651 G HN 0.236 nan 8.290 nan 0.000 0.531 652 D N 0.612 121.046 120.400 0.057 0.000 2.219 652 D HA -0.011 4.628 4.640 -0.001 0.000 0.205 652 D C 2.269 178.608 176.300 0.066 0.000 0.970 652 D CA 0.707 54.736 54.000 0.050 0.000 0.851 652 D CB 0.090 40.906 40.800 0.026 0.000 0.943 652 D HN 0.226 nan 8.370 nan 0.000 0.488 653 K N -0.213 120.219 120.400 0.055 0.000 2.283 653 K HA -0.027 4.292 4.320 -0.001 0.000 0.202 653 K C -0.091 176.536 176.600 0.044 0.000 1.048 653 K CA 0.134 56.446 56.287 0.041 0.000 0.948 653 K CB 0.146 32.659 32.500 0.022 0.000 0.742 653 K HN 0.067 nan 8.250 nan 0.000 0.458 654 L N 2.748 124.014 121.223 0.073 0.000 2.462 654 L HA 0.063 4.402 4.340 -0.001 0.000 0.272 654 L C -1.721 175.232 176.870 0.139 0.000 1.166 654 L CA -1.926 52.941 54.840 0.046 0.000 0.880 654 L CB -0.108 41.982 42.059 0.052 0.000 1.142 654 L HN 0.049 nan 8.230 nan 0.000 0.473 655 P HA 0.083 nan 4.420 nan 0.000 0.279 655 P C 1.034 178.437 177.300 0.172 0.000 1.282 655 P CA -0.377 62.776 63.100 0.089 0.000 0.788 655 P CB 0.956 32.669 31.700 0.021 0.000 1.139 656 V N -1.358 118.656 119.914 0.165 0.000 2.759 656 V HA -0.146 3.974 4.120 -0.001 0.000 0.256 656 V C 2.046 178.234 176.094 0.157 0.000 1.080 656 V CA 2.275 64.719 62.300 0.239 0.000 1.101 656 V CB -1.941 29.959 31.823 0.128 0.000 0.698 656 V HN 0.632 nan 8.190 nan 0.000 0.477 657 S N 1.039 116.760 115.700 0.036 0.000 2.507 657 S HA 0.157 4.626 4.470 -0.001 0.000 0.235 657 S C 1.924 176.451 174.600 -0.122 0.000 0.988 657 S CA 1.004 59.190 58.200 -0.024 0.000 0.944 657 S CB -0.439 62.742 63.200 -0.032 0.000 0.762 657 S HN 1.094 nan 8.310 nan 0.000 0.526 658 A N 0.361 123.006 122.820 -0.292 0.000 2.123 658 A HA 0.426 4.746 4.320 -0.001 0.000 0.214 658 A C 0.309 177.483 177.584 -0.684 0.000 1.152 658 A CA 0.091 51.784 52.037 -0.574 0.000 0.728 658 A CB -0.337 18.130 19.000 -0.888 0.000 0.814 658 A HN 0.489 nan 8.150 nan 0.000 0.464 659 F N 0.080 120.011 119.950 -0.031 0.000 2.492 659 F HA 0.423 4.949 4.527 -0.001 0.000 0.327 659 F C 0.410 176.185 175.800 -0.043 0.000 1.079 659 F CA -1.188 56.789 58.000 -0.038 0.000 0.967 659 F CB 0.924 39.908 39.000 -0.026 0.000 1.169 659 F HN -0.061 nan 8.300 nan 0.000 0.472 660 E N 1.135 121.409 120.200 0.124 0.000 2.344 660 E HA 0.174 4.524 4.350 -0.001 0.000 0.270 660 E C 0.844 177.484 176.600 0.066 0.000 1.021 660 E CA 0.107 56.545 56.400 0.062 0.000 0.887 660 E CB 1.509 31.228 29.700 0.031 0.000 0.997 660 E HN 0.833 nan 8.360 nan 0.000 0.429 661 A N 4.432 127.277 122.820 0.043 0.000 1.915 661 A HA -0.255 4.065 4.320 -0.001 0.000 0.220 661 A C 1.371 178.979 177.584 0.041 0.000 1.198 661 A CA 2.328 54.383 52.037 0.029 0.000 0.647 661 A CB -0.339 18.677 19.000 0.026 0.000 0.825 661 A HN 0.657 nan 8.150 nan 0.000 0.456 662 D N -1.959 118.484 120.400 0.072 0.000 2.325 662 D HA 0.300 4.939 4.640 -0.001 0.000 0.225 662 D C 1.072 177.480 176.300 0.180 0.000 1.096 662 D CA 0.705 54.773 54.000 0.114 0.000 0.844 662 D CB -0.929 39.931 40.800 0.101 0.000 0.925 662 D HN 0.907 nan 8.370 nan 0.000 0.513 663 G N 1.532 110.437 108.800 0.176 0.000 2.187 663 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.261 663 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.261 663 G C 0.391 175.512 174.900 0.368 0.000 1.000 663 G CA 0.429 45.708 45.100 0.299 0.000 0.718 663 G HN 0.772 nan 8.290 nan 0.000 0.519 664 R N -1.614 119.036 120.500 0.250 0.000 2.726 664 R HA 0.738 5.077 4.340 -0.001 0.000 0.272 664 R C -0.630 175.834 176.300 0.273 0.000 1.097 664 R CA -0.287 55.972 56.100 0.266 0.000 1.198 664 R CB 0.566 30.954 30.300 0.147 0.000 1.114 664 R HN 0.140 nan 8.270 nan 0.000 0.550 665 F N -0.222 119.787 119.950 0.097 0.000 2.588 665 F HA 0.472 4.998 4.527 -0.001 0.000 0.310 665 F C -2.018 173.764 175.800 -0.029 0.000 1.082 665 F CA -2.252 55.782 58.000 0.057 0.000 0.929 665 F CB 2.091 41.166 39.000 0.126 0.000 1.254 665 F HN 0.589 nan 8.300 nan 0.000 0.455 666 P HA 0.433 nan 4.420 nan 0.000 0.279 666 P C -0.900 176.434 177.300 0.057 0.000 1.252 666 P CA -0.391 62.654 63.100 -0.091 0.000 0.811 666 P CB 1.328 32.823 31.700 -0.343 0.000 1.035 667 L N 0.269 121.529 121.223 0.063 0.000 2.505 667 L HA 0.392 4.731 4.340 -0.001 0.000 0.226 667 L C 1.900 178.846 176.870 0.126 0.000 1.211 667 L CA 0.862 55.764 54.840 0.104 0.000 0.828 667 L CB -1.111 41.003 42.059 0.092 0.000 1.331 667 L HN 0.796 nan 8.230 nan 0.000 0.513 668 G N -1.048 107.823 108.800 0.118 0.000 2.337 668 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.290 668 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.290 668 G C 0.889 175.896 174.900 0.179 0.000 1.003 668 G CA 0.950 46.112 45.100 0.104 0.000 0.825 668 G HN 0.880 nan 8.290 nan 0.000 0.509 669 T N -2.377 112.349 114.554 0.288 0.000 3.085 669 T HA 0.071 4.420 4.350 -0.001 0.000 0.263 669 T C 2.572 177.536 174.700 0.440 0.000 1.127 669 T CA 1.554 63.949 62.100 0.492 0.000 1.103 669 T CB -0.251 68.955 68.868 0.562 0.000 0.921 669 T HN 1.076 nan 8.240 nan 0.000 0.510 670 S N 1.806 117.670 115.700 0.273 0.000 2.383 670 S HA -0.190 4.280 4.470 -0.001 0.000 0.227 670 S C 2.100 176.852 174.600 0.254 0.000 1.026 670 S CA 0.458 58.828 58.200 0.282 0.000 0.981 670 S CB -0.548 62.804 63.200 0.254 0.000 0.818 670 S HN 0.412 nan 8.310 nan 0.000 0.472 671 Q N 1.104 120.947 119.800 0.072 0.000 2.096 671 Q HA -0.101 4.239 4.340 -0.001 0.000 0.208 671 Q C 1.602 177.320 176.000 -0.470 0.000 0.993 671 Q CA 1.447 57.135 55.803 -0.193 0.000 0.862 671 Q CB -0.790 27.623 28.738 -0.542 0.000 0.915 671 Q HN 0.763 nan 8.270 nan 0.000 0.416 672 F N 0.615 120.537 119.950 -0.048 0.000 2.804 672 F HA 0.100 4.627 4.527 -0.001 0.000 0.303 672 F C 1.952 177.632 175.800 -0.200 0.000 1.154 672 F CA 0.047 57.818 58.000 -0.383 0.000 1.401 672 F CB -0.173 38.089 39.000 -1.230 0.000 1.106 672 F HN 0.091 nan 8.300 nan 0.000 0.568 673 E N 0.921 121.220 120.200 0.166 0.000 2.051 673 E HA -0.071 4.279 4.350 -0.001 0.000 0.189 673 E C 0.595 177.243 176.600 0.081 0.000 0.979 673 E CA 0.243 56.786 56.400 0.237 0.000 0.803 673 E CB 0.085 29.927 29.700 0.237 0.000 0.761 673 E HN 0.025 nan 8.360 nan 0.000 0.451 674 K N 0.959 121.320 120.400 -0.065 0.000 3.602 674 K HA -0.301 4.018 4.320 -0.001 0.000 0.274 674 K C 0.365 176.947 176.600 -0.030 0.000 0.864 674 K CA 0.560 56.780 56.287 -0.112 0.000 0.682 674 K CB -1.238 31.199 32.500 -0.106 0.000 1.576 674 K HN 0.286 nan 8.250 nan 0.000 0.447 675 R N 0.502 120.999 120.500 -0.005 0.000 2.103 675 R HA -0.137 4.203 4.340 -0.001 0.000 0.242 675 R C 1.334 177.652 176.300 0.030 0.000 1.142 675 R CA 1.276 57.400 56.100 0.040 0.000 0.960 675 R CB -0.257 30.074 30.300 0.051 0.000 0.858 675 R HN 0.704 nan 8.270 nan 0.000 0.439 676 G N 0.716 109.511 108.800 -0.008 0.000 2.370 676 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.295 676 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.295 676 G C 0.339 175.252 174.900 0.022 0.000 1.045 676 G CA 0.371 45.468 45.100 -0.005 0.000 1.199 676 G HN 0.424 nan 8.290 nan 0.000 0.513 677 V N -2.012 117.911 119.914 0.015 0.000 3.528 677 V HA 0.779 4.898 4.120 -0.001 0.000 0.294 677 V C 1.387 177.490 176.094 0.015 0.000 1.404 677 V CA 0.919 63.238 62.300 0.033 0.000 1.065 677 V CB 0.104 31.960 31.823 0.056 0.000 0.904 677 V HN 1.864 nan 8.190 nan 0.000 0.435 678 A N 0.647 123.465 122.820 -0.003 0.000 2.483 678 A HA 0.505 4.824 4.320 -0.001 0.000 0.238 678 A C 1.185 178.776 177.584 0.011 0.000 1.070 678 A CA 0.068 52.103 52.037 -0.004 0.000 0.770 678 A CB 0.190 19.184 19.000 -0.011 0.000 1.008 678 A HN 0.273 nan 8.150 nan 0.000 0.497 679 I N 0.574 121.152 120.570 0.013 0.000 2.364 679 I HA -0.007 4.163 4.170 -0.001 0.000 0.241 679 I C 0.468 176.595 176.117 0.017 0.000 1.082 679 I CA 1.050 62.360 61.300 0.017 0.000 1.401 679 I CB -0.959 37.051 38.000 0.016 0.000 1.126 679 I HN 0.579 nan 8.210 nan 0.000 0.429 680 N N 1.323 120.033 118.700 0.017 0.000 2.361 680 N HA 0.429 5.169 4.740 -0.001 0.000 0.302 680 N C -0.635 174.886 175.510 0.019 0.000 1.074 680 N CA -0.248 52.813 53.050 0.019 0.000 0.850 680 N CB 2.930 41.429 38.487 0.020 0.000 1.228 680 N HN -0.128 nan 8.380 nan 0.000 0.491 681 V N -0.613 119.314 119.914 0.022 0.000 2.540 681 V HA 0.587 4.707 4.120 -0.001 0.000 0.302 681 V C -2.409 173.706 176.094 0.034 0.000 1.035 681 V CA -2.326 59.988 62.300 0.023 0.000 0.873 681 V CB 1.946 33.780 31.823 0.018 0.000 0.992 681 V HN 0.508 nan 8.190 nan 0.000 0.428 682 P HA 0.104 nan 4.420 nan 0.000 0.268 682 P C -0.936 176.407 177.300 0.072 0.000 1.204 682 P CA 0.204 63.337 63.100 0.055 0.000 0.768 682 P CB 1.020 32.753 31.700 0.055 0.000 0.842 683 Q N 3.407 123.262 119.800 0.092 0.000 2.312 683 Q HA 0.217 4.557 4.340 -0.001 0.000 0.263 683 Q C -1.248 174.872 176.000 0.200 0.000 0.995 683 Q CA -0.721 55.153 55.803 0.118 0.000 0.853 683 Q CB 1.120 29.907 28.738 0.083 0.000 1.300 683 Q HN 0.406 nan 8.270 nan 0.000 0.448 684 W N 3.429 124.729 121.300 -0.001 0.000 2.184 684 W HA 0.342 5.001 4.660 -0.001 0.000 0.338 684 W C -0.830 175.691 176.519 0.004 0.000 1.257 684 W CA -0.320 57.026 57.345 0.002 0.000 1.243 684 W CB 0.784 30.240 29.460 -0.007 0.000 1.122 684 W HN 0.343 nan 8.180 nan 0.000 0.585 685 V N 8.086 127.755 119.914 -0.408 0.000 2.454 685 V HA 0.084 4.204 4.120 -0.001 0.000 0.267 685 V C -1.698 173.812 176.094 -0.974 0.000 0.993 685 V CA -1.194 60.822 62.300 -0.474 0.000 0.836 685 V CB 1.283 32.979 31.823 -0.211 0.000 1.055 685 V HN 0.427 nan 8.190 nan 0.000 0.452 686 P HA -0.196 nan 4.420 nan 0.000 0.216 686 P C 1.180 178.122 177.300 -0.597 0.000 1.154 686 P CA 1.368 63.671 63.100 -1.328 0.000 0.865 686 P CB 0.282 31.510 31.700 -0.787 0.000 0.789 687 E N -1.344 118.628 120.200 -0.381 0.000 2.515 687 E HA -0.109 4.240 4.350 -0.001 0.000 0.201 687 E C 1.030 177.529 176.600 -0.168 0.000 1.071 687 E CA 0.892 57.166 56.400 -0.210 0.000 0.880 687 E CB -0.847 28.764 29.700 -0.148 0.000 0.828 687 E HN 0.445 nan 8.360 nan 0.000 0.540 688 N N -0.991 117.585 118.700 -0.207 0.000 2.239 688 N HA 0.084 4.824 4.740 -0.001 0.000 0.208 688 N C -0.571 174.901 175.510 -0.062 0.000 1.200 688 N CA -0.278 52.703 53.050 -0.114 0.000 0.895 688 N CB 0.739 39.169 38.487 -0.095 0.000 1.085 688 N HN 0.067 nan 8.380 nan 0.000 0.500 689 C N 2.439 121.693 119.300 -0.076 0.000 2.648 689 C HA 0.176 4.635 4.460 -0.001 0.000 0.415 689 C C 1.768 176.790 174.990 0.052 0.000 1.366 689 C CA -0.461 58.627 59.018 0.116 0.000 1.756 689 C CB -1.289 26.699 27.740 0.413 0.000 2.549 689 C HN 0.468 nan 8.230 nan 0.000 0.597 690 I N 2.311 122.901 120.570 0.032 0.000 3.806 690 I HA 0.225 4.395 4.170 -0.001 0.000 0.321 690 I C 0.617 176.681 176.117 -0.089 0.000 1.315 690 I CA -0.064 61.221 61.300 -0.025 0.000 1.148 690 I CB -0.839 37.148 38.000 -0.023 0.000 1.028 690 I HN 0.820 nan 8.210 nan 0.000 0.415 691 Q N 1.318 121.038 119.800 -0.134 0.000 2.409 691 Q HA -0.212 4.128 4.340 -0.001 0.000 0.363 691 Q C 0.743 176.570 176.000 -0.287 0.000 1.356 691 Q CA 0.551 56.086 55.803 -0.448 0.000 1.044 691 Q CB -0.983 27.316 28.738 -0.732 0.000 1.173 691 Q HN 0.951 nan 8.270 nan 0.000 0.309 692 C N -1.500 117.713 119.300 -0.145 0.000 3.637 692 C HA 0.279 4.738 4.460 -0.001 0.000 0.439 692 C C 0.819 175.760 174.990 -0.082 0.000 1.443 692 C CA 0.354 59.312 59.018 -0.099 0.000 2.037 692 C CB -0.220 27.477 27.740 -0.071 0.000 2.957 692 C HN 0.984 nan 8.230 nan 0.000 0.669 693 N N 1.172 119.859 118.700 -0.021 0.000 2.776 693 N HA -0.211 4.529 4.740 -0.001 0.000 0.250 693 N C 0.740 176.235 175.510 -0.024 0.000 1.112 693 N CA 0.871 53.895 53.050 -0.043 0.000 0.733 693 N CB -0.969 37.425 38.487 -0.156 0.000 1.097 693 N HN 0.742 nan 8.380 nan 0.000 0.558 694 Q N -0.446 119.340 119.800 -0.024 0.000 2.250 694 Q HA -0.036 4.303 4.340 -0.001 0.000 0.200 694 Q C 2.532 178.571 176.000 0.066 0.000 0.941 694 Q CA 1.542 57.338 55.803 -0.012 0.000 0.872 694 Q CB 0.128 28.840 28.738 -0.043 0.000 0.965 694 Q HN 0.807 nan 8.270 nan 0.000 0.480 695 C N -0.064 119.261 119.300 0.042 0.000 2.432 695 C HA 0.052 4.512 4.460 -0.001 0.000 0.277 695 C C 2.758 177.761 174.990 0.022 0.000 1.249 695 C CA 0.590 59.628 59.018 0.033 0.000 1.725 695 C CB -1.275 26.477 27.740 0.021 0.000 2.028 695 C HN 0.437 nan 8.230 nan 0.000 0.477 696 A N 0.199 123.023 122.820 0.005 0.000 1.873 696 A HA -0.022 4.298 4.320 -0.001 0.000 0.215 696 A C 1.994 179.577 177.584 -0.002 0.000 1.186 696 A CA 1.457 53.478 52.037 -0.026 0.000 0.616 696 A CB -1.172 17.787 19.000 -0.069 0.000 0.823 696 A HN 0.586 nan 8.150 nan 0.000 0.442 697 F N -0.122 119.769 119.950 -0.098 0.000 2.287 697 F HA -0.132 4.395 4.527 -0.001 0.000 0.301 697 F C 1.953 177.696 175.800 -0.095 0.000 1.069 697 F CA 1.601 59.549 58.000 -0.086 0.000 1.372 697 F CB 0.224 39.185 39.000 -0.066 0.000 1.056 697 F HN 0.064 nan 8.300 nan 0.000 0.523 698 V N -1.506 118.462 119.914 0.090 0.000 3.263 698 V HA 0.022 4.141 4.120 -0.001 0.000 0.248 698 V C 0.799 176.849 176.094 -0.074 0.000 1.145 698 V CA 0.273 62.577 62.300 0.007 0.000 1.107 698 V CB 0.248 32.102 31.823 0.052 0.000 0.797 698 V HN 0.308 nan 8.190 nan 0.000 0.467 699 C N 5.105 124.366 119.300 -0.065 0.000 2.638 699 C HA 0.122 4.582 4.460 -0.001 0.000 0.400 699 C C -0.336 174.571 174.990 -0.139 0.000 1.421 699 C CA -0.969 58.012 59.018 -0.063 0.000 1.492 699 C CB -0.116 27.604 27.740 -0.033 0.000 2.372 699 C HN 0.386 nan 8.230 nan 0.000 0.618 700 P HA -0.016 nan 4.420 nan 0.000 0.251 700 P C -0.035 176.856 177.300 -0.681 0.000 1.251 700 P CA 1.336 64.208 63.100 -0.379 0.000 0.763 700 P CB -0.169 31.327 31.700 -0.340 0.000 1.067 701 H N -3.255 115.724 119.070 -0.152 0.000 3.650 701 H HA 0.208 4.764 4.556 -0.001 0.000 0.260 701 H C 0.444 175.727 175.328 -0.075 0.000 1.194 701 H CA 0.138 56.122 56.048 -0.107 0.000 1.135 701 H CB 0.430 30.194 29.762 0.003 0.000 1.612 701 H HN -0.162 nan 8.280 nan 0.000 0.703 702 S N 0.018 115.697 115.700 -0.035 0.000 3.787 702 S HA -0.209 4.260 4.470 -0.001 0.000 0.321 702 S C 1.389 176.079 174.600 0.150 0.000 1.119 702 S CA 0.428 58.598 58.200 -0.049 0.000 0.918 702 S CB -1.434 61.605 63.200 -0.269 0.000 0.913 702 S HN 0.690 nan 8.310 nan 0.000 0.506 703 A N -0.093 122.808 122.820 0.134 0.000 2.067 703 A HA 0.365 4.684 4.320 -0.001 0.000 0.217 703 A C 0.749 178.354 177.584 0.036 0.000 1.156 703 A CA 0.777 52.883 52.037 0.114 0.000 0.683 703 A CB 0.031 19.079 19.000 0.081 0.000 0.808 703 A HN 0.681 nan 8.150 nan 0.000 0.455 704 I N 0.313 120.880 120.570 -0.003 0.000 2.377 704 I HA 0.391 4.561 4.170 -0.001 0.000 0.293 704 I C -0.916 175.150 176.117 -0.085 0.000 0.987 704 I CA -0.725 60.537 61.300 -0.064 0.000 1.185 704 I CB 1.910 39.864 38.000 -0.077 0.000 1.341 704 I HN 0.151 nan 8.210 nan 0.000 0.455 705 L N 9.731 130.878 121.223 -0.128 0.000 2.388 705 L HA 0.578 4.918 4.340 -0.001 0.000 0.267 705 L C -2.613 174.124 176.870 -0.222 0.000 0.995 705 L CA -1.807 52.956 54.840 -0.129 0.000 0.864 705 L CB 1.401 43.419 42.059 -0.068 0.000 1.216 705 L HN 0.241 nan 8.230 nan 0.000 0.430 706 P HA 0.106 nan 4.420 nan 0.000 0.276 706 P C -0.695 176.503 177.300 -0.171 0.000 1.264 706 P CA 0.028 62.887 63.100 -0.402 0.000 0.769 706 P CB 1.358 32.779 31.700 -0.464 0.000 0.840 707 V N 5.960 125.664 119.914 -0.350 0.000 2.481 707 V HA 0.306 4.425 4.120 -0.001 0.000 0.286 707 V C 0.389 176.343 176.094 -0.233 0.000 1.042 707 V CA -0.419 61.768 62.300 -0.188 0.000 0.928 707 V CB 1.370 33.136 31.823 -0.096 0.000 0.986 707 V HN 0.431 nan 8.190 nan 0.000 0.462 708 L N 5.403 126.478 121.223 -0.247 0.000 2.457 708 L HA 0.852 5.191 4.340 -0.001 0.000 0.266 708 L C -0.309 176.390 176.870 -0.285 0.000 0.979 708 L CA 0.036 54.677 54.840 -0.332 0.000 0.857 708 L CB 1.298 42.816 42.059 -0.902 0.000 1.213 708 L HN 0.713 nan 8.230 nan 0.000 0.418 709 A N 5.037 127.842 122.820 -0.026 0.000 2.374 709 A HA 0.714 5.033 4.320 -0.001 0.000 0.305 709 A C -0.971 176.765 177.584 0.253 0.000 1.053 709 A CA -0.845 51.233 52.037 0.068 0.000 0.726 709 A CB 1.268 20.326 19.000 0.097 0.000 1.229 709 A HN 0.491 nan 8.150 nan 0.000 0.431 710 K N 2.218 122.834 120.400 0.361 0.000 2.326 710 K HA 0.072 4.392 4.320 -0.001 0.000 0.275 710 K C 0.634 177.329 176.600 0.158 0.000 1.018 710 K CA 0.380 56.842 56.287 0.292 0.000 0.962 710 K CB 0.925 33.539 32.500 0.189 0.000 0.953 710 K HN 0.900 nan 8.250 nan 0.000 0.475 711 E N 1.439 121.710 120.200 0.120 0.000 2.324 711 E HA -0.260 4.089 4.350 -0.001 0.000 0.205 711 E C 0.314 176.961 176.600 0.079 0.000 1.031 711 E CA 1.527 57.987 56.400 0.100 0.000 0.836 711 E CB -0.017 29.727 29.700 0.075 0.000 0.742 711 E HN 0.575 nan 8.360 nan 0.000 0.491 712 E N 0.429 120.667 120.200 0.063 0.000 2.479 712 E HA 0.021 4.370 4.350 -0.001 0.000 0.193 712 E C 1.003 177.634 176.600 0.052 0.000 1.049 712 E CA 0.318 56.748 56.400 0.049 0.000 0.870 712 E CB 0.356 30.075 29.700 0.032 0.000 0.944 712 E HN 0.556 nan 8.360 nan 0.000 0.492 713 E N -0.156 120.083 120.200 0.065 0.000 2.276 713 E HA 0.027 4.377 4.350 -0.001 0.000 0.193 713 E C 0.486 177.147 176.600 0.102 0.000 0.983 713 E CA 0.035 56.465 56.400 0.052 0.000 0.861 713 E CB 0.322 30.038 29.700 0.027 0.000 0.817 713 E HN -0.006 nan 8.360 nan 0.000 0.485 714 L N 1.109 122.407 121.223 0.125 0.000 2.779 714 L HA 0.044 4.384 4.340 -0.001 0.000 0.239 714 L C 1.193 178.096 176.870 0.055 0.000 1.245 714 L CA 0.479 55.408 54.840 0.148 0.000 1.064 714 L CB -0.195 41.978 42.059 0.190 0.000 1.350 714 L HN -0.003 nan 8.230 nan 0.000 0.455 715 V N 0.158 120.105 119.914 0.055 0.000 2.261 715 V HA -0.048 4.071 4.120 -0.001 0.000 0.235 715 V C 2.128 178.181 176.094 -0.069 0.000 1.044 715 V CA 1.804 64.106 62.300 0.004 0.000 1.007 715 V CB -0.727 31.109 31.823 0.020 0.000 0.647 715 V HN 0.540 nan 8.190 nan 0.000 0.462 716 G N 0.003 108.766 108.800 -0.062 0.000 2.916 716 G HA2 0.185 4.144 3.960 -0.001 0.000 0.205 716 G HA3 0.185 4.144 3.960 -0.001 0.000 0.205 716 G C 0.565 175.229 174.900 -0.394 0.000 1.163 716 G CA 0.519 45.538 45.100 -0.135 0.000 0.821 716 G HN 0.657 nan 8.290 nan 0.000 0.515 717 A N 0.634 123.081 122.820 -0.622 0.000 2.520 717 A HA 0.451 4.770 4.320 -0.001 0.000 0.235 717 A C -1.683 175.544 177.584 -0.595 0.000 1.065 717 A CA -0.680 50.629 52.037 -1.213 0.000 0.764 717 A CB 0.188 18.666 19.000 -0.870 0.000 1.002 717 A HN 0.231 nan 8.150 nan 0.000 0.502 718 P HA 0.163 nan 4.420 nan 0.000 0.268 718 P C 0.973 178.258 177.300 -0.024 0.000 1.208 718 P CA 0.675 63.684 63.100 -0.152 0.000 0.777 718 P CB 0.627 32.313 31.700 -0.023 0.000 0.875 719 A N 3.297 126.113 122.820 -0.006 0.000 1.892 719 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 719 A C 1.502 179.123 177.584 0.062 0.000 1.188 719 A CA 2.039 54.088 52.037 0.020 0.000 0.631 719 A CB -1.277 17.731 19.000 0.013 0.000 0.822 719 A HN 0.773 nan 8.150 nan 0.000 0.447 720 N N -1.654 117.092 118.700 0.078 0.000 2.461 720 N HA -0.002 4.737 4.740 -0.001 0.000 0.188 720 N C 0.139 175.737 175.510 0.147 0.000 1.134 720 N CA -0.090 53.017 53.050 0.094 0.000 0.878 720 N CB -0.106 38.425 38.487 0.073 0.000 0.972 720 N HN 0.413 nan 8.380 nan 0.000 0.456 721 F N 3.303 123.267 119.950 0.023 0.000 2.678 721 F HA 0.111 4.637 4.527 -0.001 0.000 0.358 721 F C 0.168 176.031 175.800 0.104 0.000 1.256 721 F CA -0.087 57.949 58.000 0.061 0.000 1.278 721 F CB -0.460 38.541 39.000 0.001 0.000 1.681 721 F HN -0.190 nan 8.300 nan 0.000 0.661 722 T N 3.770 118.358 114.554 0.058 0.000 2.901 722 T HA 0.571 4.921 4.350 -0.001 0.000 0.301 722 T C -0.045 174.734 174.700 0.132 0.000 1.012 722 T CA -0.044 62.115 62.100 0.098 0.000 1.135 722 T CB 0.846 69.759 68.868 0.075 0.000 0.936 722 T HN 0.592 nan 8.240 nan 0.000 0.539 723 A N 3.444 126.376 122.820 0.186 0.000 2.486 723 A HA 0.725 5.045 4.320 -0.001 0.000 0.300 723 A C -0.453 177.278 177.584 0.245 0.000 1.048 723 A CA -0.829 51.365 52.037 0.263 0.000 0.696 723 A CB 1.013 20.160 19.000 0.246 0.000 1.278 723 A HN 0.774 nan 8.150 nan 0.000 0.405 724 L N 0.919 122.333 121.223 0.319 0.000 2.490 724 L HA 0.374 4.714 4.340 -0.001 0.000 0.245 724 L C 0.581 177.583 176.870 0.220 0.000 1.185 724 L CA -0.701 54.276 54.840 0.229 0.000 0.813 724 L CB 0.345 42.549 42.059 0.242 0.000 1.233 724 L HN 0.678 nan 8.230 nan 0.000 0.489 725 E N 0.401 120.694 120.200 0.154 0.000 2.313 725 E HA 0.397 4.746 4.350 -0.001 0.000 0.272 725 E C -0.686 176.004 176.600 0.151 0.000 1.038 725 E CA -0.664 55.820 56.400 0.140 0.000 0.863 725 E CB 1.497 31.250 29.700 0.089 0.000 1.060 725 E HN 0.574 nan 8.360 nan 0.000 0.402 726 A N 3.462 126.387 122.820 0.175 0.000 2.396 726 A HA 0.127 4.447 4.320 -0.001 0.000 0.279 726 A C 0.022 177.666 177.584 0.100 0.000 1.165 726 A CA -0.367 51.775 52.037 0.175 0.000 0.824 726 A CB -0.055 19.105 19.000 0.266 0.000 1.100 726 A HN 0.442 nan 8.150 nan 0.000 0.516 727 K N 1.844 122.269 120.400 0.043 0.000 2.368 727 K HA 0.511 4.831 4.320 -0.001 0.000 0.282 727 K C 0.412 177.037 176.600 0.042 0.000 1.035 727 K CA 0.729 57.027 56.287 0.018 0.000 0.973 727 K CB 0.747 33.228 32.500 -0.031 0.000 0.957 727 K HN 1.248 nan 8.250 nan 0.000 0.474 728 G N 1.422 110.249 108.800 0.044 0.000 2.348 728 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.606 728 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.606 728 G C -0.012 174.922 174.900 0.057 0.000 1.466 728 G CA -0.541 44.592 45.100 0.056 0.000 0.950 728 G HN 0.580 nan 8.290 nan 0.000 0.657 729 K N 0.263 120.692 120.400 0.049 0.000 1.967 729 K HA -0.071 4.248 4.320 -0.001 0.000 0.212 729 K C 2.193 178.825 176.600 0.052 0.000 1.044 729 K CA 2.223 58.535 56.287 0.040 0.000 0.942 729 K CB -0.219 32.301 32.500 0.033 0.000 0.726 729 K HN 0.472 nan 8.250 nan 0.000 0.440 730 E N 1.126 121.366 120.200 0.068 0.000 2.219 730 E HA -0.125 4.224 4.350 -0.001 0.000 0.198 730 E C 0.422 177.105 176.600 0.139 0.000 0.998 730 E CA 0.861 57.315 56.400 0.089 0.000 0.818 730 E CB -0.278 29.480 29.700 0.097 0.000 0.741 730 E HN 0.332 nan 8.360 nan 0.000 0.477 731 L N 1.131 122.445 121.223 0.152 0.000 2.352 731 L HA 0.323 4.663 4.340 -0.001 0.000 0.272 731 L C 0.985 177.945 176.870 0.150 0.000 1.109 731 L CA -0.051 54.930 54.840 0.234 0.000 0.952 731 L CB 0.542 42.736 42.059 0.226 0.000 1.314 731 L HN -0.003 nan 8.230 nan 0.000 0.427 732 K N 1.277 121.712 120.400 0.058 0.000 2.485 732 K HA 0.152 4.472 4.320 -0.001 0.000 0.200 732 K C 1.768 178.326 176.600 -0.069 0.000 1.352 732 K CA 0.414 56.701 56.287 0.000 0.000 0.953 732 K CB 0.761 33.249 32.500 -0.019 0.000 1.387 732 K HN 0.577 nan 8.250 nan 0.000 0.512 733 G N 0.707 109.347 108.800 -0.267 0.000 2.848 733 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.208 733 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.208 733 G C -0.051 174.706 174.900 -0.238 0.000 1.152 733 G CA 0.421 45.339 45.100 -0.304 0.000 0.789 733 G HN 0.039 nan 8.290 nan 0.000 0.531 734 Y N 0.053 120.377 120.300 0.040 0.000 2.534 734 Y HA 0.591 5.141 4.550 -0.001 0.000 0.329 734 Y C 0.233 176.194 175.900 0.102 0.000 1.154 734 Y CA -1.361 56.771 58.100 0.053 0.000 1.192 734 Y CB 1.383 39.855 38.460 0.020 0.000 1.275 734 Y HN -0.236 nan 8.280 nan 0.000 0.491 735 K N 1.891 122.478 120.400 0.312 0.000 2.292 735 K HA 0.361 4.681 4.320 -0.001 0.000 0.257 735 K C -1.668 175.121 176.600 0.314 0.000 0.940 735 K CA -0.588 55.869 56.287 0.284 0.000 0.811 735 K CB 2.243 34.889 32.500 0.244 0.000 1.120 735 K HN 0.612 nan 8.250 nan 0.000 0.428 736 F N 3.378 123.439 119.950 0.186 0.000 2.415 736 F HA 0.416 4.942 4.527 -0.001 0.000 0.348 736 F C 0.015 175.918 175.800 0.171 0.000 1.119 736 F CA -0.739 57.370 58.000 0.183 0.000 1.069 736 F CB 1.076 40.212 39.000 0.227 0.000 1.124 736 F HN 0.582 nan 8.300 nan 0.000 0.472 737 R N 7.041 127.364 120.500 -0.296 0.000 2.686 737 R HA 0.521 4.861 4.340 -0.001 0.000 0.283 737 R C -1.996 173.727 176.300 -0.962 0.000 0.978 737 R CA -0.813 55.044 56.100 -0.406 0.000 0.897 737 R CB 1.314 31.436 30.300 -0.297 0.000 1.192 737 R HN 0.630 nan 8.270 nan 0.000 0.457 738 I N 4.181 123.782 120.570 -1.615 0.000 2.291 738 I HA 0.120 4.290 4.170 -0.001 0.000 0.292 738 I C -0.269 175.334 176.117 -0.858 0.000 1.064 738 I CA -0.166 60.337 61.300 -1.329 0.000 1.269 738 I CB 0.978 37.822 38.000 -1.928 0.000 1.418 738 I HN 0.685 nan 8.210 nan 0.000 0.485 739 Q N 7.264 126.765 119.800 -0.499 0.000 2.360 739 Q HA 0.334 4.673 4.340 -0.001 0.000 0.254 739 Q C -0.814 175.085 176.000 -0.169 0.000 0.975 739 Q CA -0.302 55.335 55.803 -0.277 0.000 0.912 739 Q CB 0.711 29.351 28.738 -0.165 0.000 1.212 739 Q HN 0.363 nan 8.270 nan 0.000 0.452 740 I N 4.068 124.573 120.570 -0.108 0.000 2.352 740 I HA 0.138 4.308 4.170 -0.001 0.000 0.290 740 I C 0.268 176.371 176.117 -0.024 0.000 1.036 740 I CA -0.086 61.182 61.300 -0.052 0.000 1.336 740 I CB 0.609 38.602 38.000 -0.012 0.000 1.407 740 I HN 0.765 nan 8.210 nan 0.000 0.497 741 N N 4.410 123.097 118.700 -0.021 0.000 2.555 741 N HA 0.042 4.781 4.740 -0.001 0.000 0.244 741 N C 1.157 176.646 175.510 -0.035 0.000 1.114 741 N CA -0.184 52.847 53.050 -0.031 0.000 0.963 741 N CB 0.541 39.011 38.487 -0.028 0.000 1.276 741 N HN 0.700 nan 8.380 nan 0.000 0.510 742 T N 0.730 115.270 114.554 -0.023 0.000 3.163 742 T HA -0.004 4.346 4.350 -0.001 0.000 0.260 742 T C 1.216 175.895 174.700 -0.034 0.000 1.156 742 T CA 0.399 62.489 62.100 -0.016 0.000 1.072 742 T CB -0.033 68.838 68.868 0.004 0.000 0.937 742 T HN 0.481 nan 8.240 nan 0.000 0.528 743 L N -0.259 120.922 121.223 -0.069 0.000 2.766 743 L HA 0.361 4.701 4.340 -0.001 0.000 0.242 743 L C 0.646 177.426 176.870 -0.150 0.000 1.136 743 L CA 0.228 55.014 54.840 -0.089 0.000 0.933 743 L CB 0.447 42.454 42.059 -0.086 0.000 1.241 743 L HN 0.131 nan 8.230 nan 0.000 0.522 744 D N -0.579 119.714 120.400 -0.178 0.000 2.650 744 D HA 0.129 4.769 4.640 -0.001 0.000 0.265 744 D C -0.480 175.780 176.300 -0.066 0.000 1.339 744 D CA 0.121 53.988 54.000 -0.221 0.000 0.816 744 D CB 0.687 41.153 40.800 -0.556 0.000 1.091 744 D HN 0.052 nan 8.370 nan 0.000 0.483 745 C N 0.489 119.749 119.300 -0.066 0.000 2.435 745 C HA 0.469 4.928 4.460 -0.001 0.000 0.333 745 C C 1.161 176.098 174.990 -0.087 0.000 1.202 745 C CA -0.493 58.501 59.018 -0.041 0.000 1.830 745 C CB 0.518 28.249 27.740 -0.014 0.000 2.326 745 C HN 0.156 nan 8.230 nan 0.000 0.507 746 M N 3.108 122.647 119.600 -0.103 0.000 2.333 746 M HA 0.243 4.722 4.480 -0.001 0.000 0.257 746 M C 1.528 177.806 176.300 -0.036 0.000 1.078 746 M CA 0.836 56.068 55.300 -0.114 0.000 1.005 746 M CB -0.974 31.509 32.600 -0.195 0.000 1.444 746 M HN 1.213 nan 8.290 nan 0.000 0.496 747 G N 1.648 110.441 108.800 -0.012 0.000 2.338 747 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.296 747 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.296 747 G C 0.969 175.878 174.900 0.014 0.000 1.040 747 G CA 0.453 45.557 45.100 0.006 0.000 1.004 747 G HN 0.689 nan 8.290 nan 0.000 0.509 748 C N -2.177 117.136 119.300 0.022 0.000 2.467 748 C HA 0.521 4.980 4.460 -0.001 0.000 0.279 748 C C 2.564 177.569 174.990 0.025 0.000 1.347 748 C CA 1.164 60.198 59.018 0.027 0.000 1.748 748 C CB -0.650 27.115 27.740 0.042 0.000 1.977 748 C HN 2.442 nan 8.230 nan 0.000 0.501 749 G N 1.075 109.891 108.800 0.026 0.000 2.175 749 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.244 749 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.244 749 G C 0.524 175.441 174.900 0.028 0.000 0.982 749 G CA 0.658 45.774 45.100 0.027 0.000 0.641 749 G HN 0.577 nan 8.290 nan 0.000 0.527 750 N N -0.036 118.680 118.700 0.025 0.000 2.061 750 N HA -0.182 4.558 4.740 -0.001 0.000 0.193 750 N C 2.707 178.232 175.510 0.026 0.000 1.030 750 N CA 2.834 55.897 53.050 0.022 0.000 0.856 750 N CB -0.438 38.055 38.487 0.011 0.000 1.023 750 N HN 0.935 nan 8.380 nan 0.000 0.424 751 C N -0.157 119.160 119.300 0.028 0.000 2.436 751 C HA 0.112 4.572 4.460 -0.001 0.000 0.277 751 C C 2.744 177.761 174.990 0.045 0.000 1.241 751 C CA 0.434 59.473 59.018 0.034 0.000 1.721 751 C CB -1.439 26.319 27.740 0.030 0.000 2.043 751 C HN 0.392 nan 8.230 nan 0.000 0.472 752 A N 1.455 124.305 122.820 0.049 0.000 1.883 752 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 752 A C 2.225 179.835 177.584 0.045 0.000 1.186 752 A CA 2.188 54.258 52.037 0.056 0.000 0.624 752 A CB -1.148 17.884 19.000 0.053 0.000 0.822 752 A HN 0.750 nan 8.150 nan 0.000 0.444 753 D N -0.560 119.862 120.400 0.037 0.000 2.190 753 D HA -0.179 4.461 4.640 -0.001 0.000 0.200 753 D C 1.619 177.938 176.300 0.031 0.000 0.992 753 D CA 1.741 55.761 54.000 0.032 0.000 0.854 753 D CB -0.052 40.765 40.800 0.030 0.000 0.936 753 D HN 0.373 nan 8.370 nan 0.000 0.462 754 I N 0.695 121.285 120.570 0.032 0.000 3.462 754 I HA 0.046 4.216 4.170 -0.001 0.000 0.290 754 I C 0.661 176.795 176.117 0.028 0.000 1.236 754 I CA -0.056 61.261 61.300 0.029 0.000 1.418 754 I CB -0.133 37.885 38.000 0.029 0.000 1.102 754 I HN 0.060 nan 8.210 nan 0.000 0.441 755 C N 4.132 123.456 119.300 0.039 0.000 2.409 755 C HA -0.020 4.439 4.460 -0.001 0.000 0.398 755 C C -0.487 174.523 174.990 0.034 0.000 1.507 755 C CA -0.904 58.143 59.018 0.049 0.000 1.460 755 C CB -0.181 27.603 27.740 0.074 0.000 2.472 755 C HN 0.353 nan 8.230 nan 0.000 0.614 756 P HA -0.055 nan 4.420 nan 0.000 0.215 756 P C -1.627 175.679 177.300 0.009 0.000 1.157 756 P CA 1.353 64.459 63.100 0.009 0.000 0.874 756 P CB -1.116 30.583 31.700 -0.002 0.000 0.790 757 P HA 0.005 nan 4.420 nan 0.000 0.269 757 P C 0.580 177.884 177.300 0.006 0.000 1.215 757 P CA 0.288 63.391 63.100 0.005 0.000 0.780 757 P CB 1.015 32.717 31.700 0.004 0.000 0.898 758 K N 0.453 120.853 120.400 0.000 0.000 2.026 758 K HA -0.067 4.252 4.320 -0.001 0.000 0.208 758 K C 0.503 177.102 176.600 -0.000 0.000 1.048 758 K CA 1.150 57.437 56.287 0.001 0.000 0.929 758 K CB 0.034 32.532 32.500 -0.002 0.000 0.713 758 K HN 0.535 nan 8.250 nan 0.000 0.439 759 E N 2.699 122.895 120.200 -0.006 0.000 1.941 759 E HA 0.081 4.431 4.350 -0.001 0.000 0.275 759 E C -0.267 176.328 176.600 -0.008 0.000 1.113 759 E CA -0.046 56.347 56.400 -0.012 0.000 0.878 759 E CB 0.617 30.303 29.700 -0.023 0.000 1.070 759 E HN 0.018 nan 8.360 nan 0.000 0.399 760 K N 0.962 121.364 120.400 0.003 0.000 2.542 760 K HA -0.014 4.305 4.320 -0.001 0.000 0.276 760 K C 0.903 177.513 176.600 0.016 0.000 0.963 760 K CA 0.193 56.492 56.287 0.020 0.000 0.975 760 K CB 0.708 33.226 32.500 0.030 0.000 0.901 760 K HN 0.487 nan 8.250 nan 0.000 0.506 761 A N 3.135 125.989 122.820 0.058 0.000 1.997 761 A HA 0.123 4.443 4.320 -0.001 0.000 0.212 761 A C 0.738 178.430 177.584 0.180 0.000 1.178 761 A CA 0.503 52.589 52.037 0.082 0.000 0.698 761 A CB 0.254 19.380 19.000 0.209 0.000 0.842 761 A HN 0.517 nan 8.150 nan 0.000 0.458 762 L N 0.750 122.081 121.223 0.180 0.000 2.341 762 L HA 0.579 4.918 4.340 -0.001 0.000 0.278 762 L C -1.348 175.582 176.870 0.100 0.000 1.005 762 L CA -0.787 54.162 54.840 0.181 0.000 0.818 762 L CB 2.285 44.444 42.059 0.166 0.000 1.259 762 L HN -0.007 nan 8.230 nan 0.000 0.418 763 V N 3.061 123.028 119.914 0.088 0.000 2.686 763 V HA 0.415 4.534 4.120 -0.001 0.000 0.306 763 V C -0.019 176.106 176.094 0.052 0.000 1.065 763 V CA -0.804 61.530 62.300 0.056 0.000 0.894 763 V CB 2.008 33.855 31.823 0.040 0.000 1.004 763 V HN 0.611 nan 8.190 nan 0.000 0.424 764 M N 4.556 124.180 119.600 0.041 0.000 2.246 764 M HA 0.382 4.861 4.480 -0.001 0.000 0.350 764 M C -0.275 176.044 176.300 0.032 0.000 1.406 764 M CA 0.524 55.845 55.300 0.036 0.000 1.089 764 M CB 0.139 32.757 32.600 0.029 0.000 1.782 764 M HN 0.645 nan 8.290 nan 0.000 0.457 765 Q N 4.222 124.042 119.800 0.032 0.000 2.345 765 Q HA 0.545 4.885 4.340 -0.001 0.000 0.275 765 Q C -2.487 173.530 176.000 0.027 0.000 1.063 765 Q CA -1.850 53.971 55.803 0.030 0.000 0.819 765 Q CB 1.976 30.733 28.738 0.033 0.000 1.356 765 Q HN 0.375 nan 8.270 nan 0.000 0.418 766 P HA -0.094 nan 4.420 nan 0.000 0.264 766 P C 0.951 178.267 177.300 0.027 0.000 1.179 766 P CA -0.141 62.974 63.100 0.025 0.000 0.763 766 P CB 0.748 32.462 31.700 0.025 0.000 0.806 767 L N 3.790 125.028 121.223 0.026 0.000 2.081 767 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 767 L C 1.741 178.629 176.870 0.031 0.000 1.080 767 L CA 2.162 57.017 54.840 0.026 0.000 0.754 767 L CB -1.306 40.767 42.059 0.024 0.000 0.893 767 L HN 0.390 nan 8.230 nan 0.000 0.433 768 D N -2.268 118.152 120.400 0.035 0.000 2.348 768 D HA -0.149 4.490 4.640 -0.001 0.000 0.216 768 D C 1.630 177.952 176.300 0.037 0.000 0.970 768 D CA 1.236 55.260 54.000 0.039 0.000 0.889 768 D CB -0.616 40.212 40.800 0.047 0.000 0.912 768 D HN 0.568 nan 8.370 nan 0.000 0.524 769 T N -3.003 111.571 114.554 0.034 0.000 3.081 769 T HA 0.016 4.365 4.350 -0.001 0.000 0.255 769 T C 1.640 176.360 174.700 0.034 0.000 1.113 769 T CA 0.329 62.449 62.100 0.033 0.000 1.082 769 T CB 0.442 69.329 68.868 0.031 0.000 0.939 769 T HN -0.037 nan 8.240 nan 0.000 0.506 770 Q N 1.629 121.450 119.800 0.034 0.000 2.514 770 Q HA 0.190 4.529 4.340 -0.001 0.000 0.208 770 Q C 2.483 178.503 176.000 0.034 0.000 0.938 770 Q CA 0.945 56.770 55.803 0.036 0.000 0.892 770 Q CB -0.449 28.310 28.738 0.035 0.000 1.050 770 Q HN 0.640 nan 8.270 nan 0.000 0.595 771 R N 1.893 122.411 120.500 0.030 0.000 2.165 771 R HA -0.197 4.142 4.340 -0.001 0.000 0.254 771 R C 1.411 177.728 176.300 0.029 0.000 1.153 771 R CA 2.157 58.273 56.100 0.026 0.000 0.971 771 R CB -0.915 29.400 30.300 0.024 0.000 0.878 771 R HN 0.141 nan 8.270 nan 0.000 0.449 772 D N 0.714 121.133 120.400 0.031 0.000 2.097 772 D HA -0.132 4.508 4.640 -0.001 0.000 0.195 772 D C 2.011 178.332 176.300 0.034 0.000 0.989 772 D CA 2.022 56.039 54.000 0.029 0.000 0.827 772 D CB -0.378 40.439 40.800 0.028 0.000 0.966 772 D HN 0.475 nan 8.370 nan 0.000 0.456 773 A N 0.471 123.315 122.820 0.038 0.000 1.898 773 A HA -0.110 4.210 4.320 -0.001 0.000 0.214 773 A C 2.069 179.689 177.584 0.060 0.000 1.183 773 A CA 0.996 53.062 52.037 0.047 0.000 0.622 773 A CB -0.291 18.737 19.000 0.047 0.000 0.824 773 A HN 0.005 nan 8.150 nan 0.000 0.444 774 Q N -0.416 119.416 119.800 0.054 0.000 2.472 774 Q HA 0.111 4.451 4.340 -0.001 0.000 0.208 774 Q C 1.788 177.820 176.000 0.053 0.000 0.958 774 Q CA 0.566 56.403 55.803 0.057 0.000 0.932 774 Q CB -0.300 28.465 28.738 0.044 0.000 1.007 774 Q HN 0.450 nan 8.270 nan 0.000 0.508 775 V N 1.631 121.571 119.914 0.044 0.000 2.231 775 V HA -0.134 3.985 4.120 -0.001 0.000 0.240 775 V C -0.967 175.160 176.094 0.055 0.000 1.039 775 V CA 1.948 64.268 62.300 0.033 0.000 0.998 775 V CB -1.276 30.559 31.823 0.021 0.000 0.639 775 V HN 0.263 nan 8.190 nan 0.000 0.451 776 P HA -0.200 nan 4.420 nan 0.000 0.217 776 P C 1.016 178.402 177.300 0.144 0.000 1.148 776 P CA 1.871 65.019 63.100 0.080 0.000 0.828 776 P CB -0.218 31.516 31.700 0.058 0.000 0.783 777 N N -0.435 118.371 118.700 0.178 0.000 2.106 777 N HA -0.092 4.647 4.740 -0.001 0.000 0.188 777 N C 1.987 177.698 175.510 0.335 0.000 1.029 777 N CA 0.340 53.587 53.050 0.328 0.000 0.848 777 N CB -0.565 38.094 38.487 0.287 0.000 1.007 777 N HN 0.014 nan 8.380 nan 0.000 0.423 778 L N 1.738 123.068 121.223 0.179 0.000 1.971 778 L HA -0.229 4.111 4.340 -0.001 0.000 0.215 778 L C 1.649 178.587 176.870 0.114 0.000 1.072 778 L CA 2.043 56.954 54.840 0.119 0.000 0.758 778 L CB -0.764 41.321 42.059 0.043 0.000 0.889 778 L HN 0.153 nan 8.230 nan 0.000 0.433 779 E N -0.513 119.743 120.200 0.093 0.000 2.065 779 E HA -0.313 4.036 4.350 -0.001 0.000 0.201 779 E C 1.909 178.549 176.600 0.065 0.000 1.016 779 E CA 2.108 58.546 56.400 0.064 0.000 0.818 779 E CB -0.792 28.949 29.700 0.068 0.000 0.749 779 E HN 0.626 nan 8.360 nan 0.000 0.453 780 Y N 0.591 120.899 120.300 0.013 0.000 2.053 780 Y HA -0.276 4.274 4.550 -0.001 0.000 0.277 780 Y C 2.201 178.079 175.900 -0.038 0.000 1.159 780 Y CA 1.935 59.996 58.100 -0.064 0.000 1.125 780 Y CB -0.817 37.543 38.460 -0.167 0.000 0.969 780 Y HN 0.051 nan 8.280 nan 0.000 0.492 781 A N 0.181 123.053 122.820 0.087 0.000 2.024 781 A HA -0.095 4.225 4.320 -0.001 0.000 0.220 781 A C 2.359 179.908 177.584 -0.059 0.000 1.164 781 A CA 1.762 53.859 52.037 0.100 0.000 0.643 781 A CB -1.387 17.807 19.000 0.324 0.000 0.806 781 A HN 0.631 nan 8.150 nan 0.000 0.451 782 A N 0.367 123.157 122.820 -0.050 0.000 1.929 782 A HA -0.022 4.298 4.320 -0.001 0.000 0.216 782 A C 1.643 179.170 177.584 -0.095 0.000 1.176 782 A CA 1.280 53.287 52.037 -0.051 0.000 0.628 782 A CB -0.196 18.793 19.000 -0.018 0.000 0.816 782 A HN 0.518 nan 8.150 nan 0.000 0.444 783 R N -0.072 120.333 120.500 -0.158 0.000 3.534 783 R HA 0.631 4.970 4.340 -0.001 0.000 0.312 783 R C -0.690 175.465 176.300 -0.242 0.000 1.419 783 R CA 0.090 56.094 56.100 -0.160 0.000 1.262 783 R CB -0.962 29.270 30.300 -0.113 0.000 1.437 783 R HN 0.349 nan 8.270 nan 0.000 0.627 784 I N 0.642 121.074 120.570 -0.230 0.000 2.608 784 I HA 0.419 4.589 4.170 -0.001 0.000 0.295 784 I C -2.221 173.817 176.117 -0.132 0.000 1.049 784 I CA -2.882 58.284 61.300 -0.223 0.000 1.063 784 I CB 2.785 40.625 38.000 -0.266 0.000 1.248 784 I HN 0.042 nan 8.210 nan 0.000 0.424 785 P HA 0.114 nan 4.420 nan 0.000 0.271 785 P C -0.666 176.571 177.300 -0.104 0.000 1.220 785 P CA -0.185 62.862 63.100 -0.087 0.000 0.768 785 P CB 0.584 32.241 31.700 -0.071 0.000 0.848 786 V N 5.336 125.201 119.914 -0.081 0.000 2.530 786 V HA 0.062 4.181 4.120 -0.001 0.000 0.282 786 V C 0.868 176.897 176.094 -0.108 0.000 1.048 786 V CA -0.053 62.202 62.300 -0.074 0.000 0.997 786 V CB 0.545 32.350 31.823 -0.029 0.000 0.987 786 V HN 0.402 nan 8.190 nan 0.000 0.477 787 K N 3.922 124.206 120.400 -0.194 0.000 2.187 787 K HA 0.142 4.462 4.320 -0.001 0.000 0.242 787 K C 1.429 177.961 176.600 -0.113 0.000 1.179 787 K CA 0.165 56.307 56.287 -0.242 0.000 1.097 787 K CB 0.286 32.469 32.500 -0.529 0.000 1.634 787 K HN 0.856 nan 8.250 nan 0.000 0.335 788 S N 0.160 115.832 115.700 -0.045 0.000 2.382 788 S HA -0.151 4.318 4.470 -0.001 0.000 0.228 788 S C 1.478 176.082 174.600 0.007 0.000 1.027 788 S CA 0.937 59.138 58.200 0.001 0.000 0.991 788 S CB 0.048 63.248 63.200 0.000 0.000 0.823 788 S HN 0.435 nan 8.310 nan 0.000 0.469 789 E N 0.515 120.710 120.200 -0.008 0.000 2.250 789 E HA 0.181 4.531 4.350 -0.001 0.000 0.192 789 E C 1.986 178.596 176.600 0.016 0.000 0.986 789 E CA 0.403 56.808 56.400 0.008 0.000 0.849 789 E CB -0.302 29.404 29.700 0.011 0.000 0.797 789 E HN 0.319 nan 8.360 nan 0.000 0.482 790 V N 0.310 120.218 119.914 -0.010 0.000 2.324 790 V HA -0.157 3.963 4.120 -0.001 0.000 0.250 790 V C 0.705 176.830 176.094 0.051 0.000 1.060 790 V CA 1.401 63.710 62.300 0.014 0.000 1.042 790 V CB 0.051 31.827 31.823 -0.079 0.000 0.650 790 V HN 0.089 nan 8.190 nan 0.000 0.450 791 L N -0.260 121.003 121.223 0.067 0.000 2.333 791 L HA 0.462 4.801 4.340 -0.001 0.000 0.269 791 L C -2.404 174.514 176.870 0.080 0.000 1.010 791 L CA -2.065 52.836 54.840 0.101 0.000 0.818 791 L CB 1.735 43.900 42.059 0.176 0.000 1.306 791 L HN 0.018 nan 8.230 nan 0.000 0.430 792 P HA 0.006 nan 4.420 nan 0.000 0.257 792 P C 0.344 177.670 177.300 0.044 0.000 1.189 792 P CA 0.252 63.380 63.100 0.048 0.000 0.780 792 P CB 0.386 32.111 31.700 0.041 0.000 0.772 793 R N 4.802 125.322 120.500 0.033 0.000 2.227 793 R HA -0.255 4.085 4.340 -0.001 0.000 0.246 793 R C 1.161 177.458 176.300 -0.006 0.000 1.119 793 R CA 2.448 58.556 56.100 0.013 0.000 0.930 793 R CB -0.509 29.787 30.300 -0.006 0.000 0.912 793 R HN 0.541 nan 8.270 nan 0.000 0.435 794 D N 0.504 120.893 120.400 -0.018 0.000 2.676 794 D HA -0.023 4.616 4.640 -0.001 0.000 0.239 794 D C -0.925 175.376 176.300 0.002 0.000 1.213 794 D CA 0.095 54.076 54.000 -0.032 0.000 0.835 794 D CB -0.004 40.763 40.800 -0.054 0.000 1.009 794 D HN 0.262 nan 8.370 nan 0.000 0.479 795 S N -0.644 115.066 115.700 0.016 0.000 2.454 795 S HA 0.246 4.716 4.470 -0.001 0.000 0.306 795 S C 1.279 175.879 174.600 -0.000 0.000 1.100 795 S CA -0.926 57.279 58.200 0.009 0.000 1.087 795 S CB 2.253 65.465 63.200 0.020 0.000 1.019 795 S HN 0.213 nan 8.310 nan 0.000 0.480 796 L N 2.100 123.287 121.223 -0.060 0.000 2.064 796 L HA -0.314 4.026 4.340 -0.001 0.000 0.234 796 L C 2.635 179.447 176.870 -0.097 0.000 1.103 796 L CA 2.376 57.107 54.840 -0.181 0.000 0.824 796 L CB -0.441 41.412 42.059 -0.344 0.000 0.919 796 L HN 0.979 nan 8.230 nan 0.000 0.447 797 K N -0.856 119.489 120.400 -0.092 0.000 2.002 797 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 797 K C 1.867 178.436 176.600 -0.051 0.000 1.048 797 K CA 1.589 57.821 56.287 -0.092 0.000 0.930 797 K CB -0.503 31.976 32.500 -0.036 0.000 0.714 797 K HN 0.577 nan 8.250 nan 0.000 0.438 798 G N 0.252 109.088 108.800 0.060 0.000 2.462 798 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.220 798 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.220 798 G C 1.501 176.458 174.900 0.096 0.000 1.121 798 G CA 1.204 46.387 45.100 0.139 0.000 0.758 798 G HN 0.518 nan 8.290 nan 0.000 0.559 799 S N -0.025 115.709 115.700 0.056 0.000 2.383 799 S HA -0.073 4.396 4.470 -0.001 0.000 0.227 799 S C 2.018 176.635 174.600 0.027 0.000 1.026 799 S CA 1.143 59.375 58.200 0.053 0.000 0.981 799 S CB -0.187 63.088 63.200 0.125 0.000 0.818 799 S HN 0.244 nan 8.310 nan 0.000 0.472 800 Q N 0.131 119.925 119.800 -0.011 0.000 2.515 800 Q HA 0.282 4.622 4.340 -0.001 0.000 0.212 800 Q C -0.022 175.872 176.000 -0.175 0.000 0.970 800 Q CA 0.373 56.108 55.803 -0.115 0.000 0.941 800 Q CB -0.592 28.048 28.738 -0.163 0.000 0.998 800 Q HN 0.634 nan 8.270 nan 0.000 0.518 801 F N 0.386 120.335 119.950 -0.002 0.000 2.750 801 F HA 0.247 4.774 4.527 -0.001 0.000 0.297 801 F C 0.493 176.261 175.800 -0.052 0.000 1.138 801 F CA -0.427 57.550 58.000 -0.039 0.000 1.346 801 F CB 0.360 39.342 39.000 -0.029 0.000 0.965 801 F HN -0.141 nan 8.300 nan 0.000 0.514 802 Q N -0.135 119.725 119.800 0.100 0.000 2.306 802 Q HA 0.312 4.651 4.340 -0.001 0.000 0.269 802 Q C -0.325 175.672 176.000 -0.006 0.000 1.053 802 Q CA -0.728 55.093 55.803 0.030 0.000 0.879 802 Q CB 1.369 30.101 28.738 -0.010 0.000 1.344 802 Q HN 0.237 nan 8.270 nan 0.000 0.464 803 E N 2.106 122.294 120.200 -0.021 0.000 2.180 803 E HA 0.220 4.570 4.350 -0.001 0.000 0.283 803 E C -2.272 174.292 176.600 -0.061 0.000 1.061 803 E CA -1.531 54.847 56.400 -0.036 0.000 0.861 803 E CB 0.475 30.158 29.700 -0.028 0.000 1.056 803 E HN 0.078 nan 8.360 nan 0.000 0.407 804 P HA 0.037 nan 4.420 nan 0.000 0.281 804 P C -0.377 176.850 177.300 -0.121 0.000 1.286 804 P CA -0.317 62.706 63.100 -0.129 0.000 0.772 804 P CB 0.607 32.201 31.700 -0.177 0.000 0.862 805 L N 2.793 123.972 121.223 -0.073 0.000 2.645 805 L HA 0.256 4.595 4.340 -0.001 0.000 0.234 805 L C 0.556 177.423 176.870 -0.004 0.000 1.165 805 L CA 1.012 55.843 54.840 -0.016 0.000 0.944 805 L CB -0.617 41.471 42.059 0.049 0.000 1.149 805 L HN 0.447 nan 8.230 nan 0.000 0.446 806 M N 0.750 120.255 119.600 -0.159 0.000 2.134 806 M HA 0.345 4.825 4.480 -0.001 0.000 0.249 806 M C -1.362 174.672 176.300 -0.443 0.000 0.955 806 M CA 0.063 55.166 55.300 -0.329 0.000 1.037 806 M CB 1.119 33.477 32.600 -0.403 0.000 2.110 806 M HN 0.153 nan 8.290 nan 0.000 0.449 807 E N 3.650 123.518 120.200 -0.553 0.000 2.312 807 E HA 0.603 4.953 4.350 -0.001 0.000 0.267 807 E C -0.829 175.267 176.600 -0.839 0.000 0.894 807 E CA -0.836 54.982 56.400 -0.970 0.000 0.773 807 E CB 1.563 30.215 29.700 -1.746 0.000 1.241 807 E HN 0.501 nan 8.360 nan 0.000 0.432 808 F N -0.135 119.795 119.950 -0.033 0.000 2.969 808 F HA -0.249 4.277 4.527 -0.001 0.000 0.273 808 F C 0.485 176.334 175.800 0.080 0.000 0.986 808 F CA 0.295 58.325 58.000 0.050 0.000 0.926 808 F CB -2.770 36.234 39.000 0.007 0.000 0.887 808 F HN 0.286 nan 8.300 nan 0.000 0.816 809 S N -0.701 115.088 115.700 0.148 0.000 2.576 809 S HA 0.540 5.009 4.470 -0.001 0.000 0.276 809 S C 1.200 175.931 174.600 0.218 0.000 1.339 809 S CA -0.274 57.991 58.200 0.107 0.000 1.039 809 S CB 1.759 64.885 63.200 -0.122 0.000 0.902 809 S HN 0.945 nan 8.310 nan 0.000 0.516 810 G N 0.825 109.746 108.800 0.201 0.000 3.392 810 G HA2 0.469 4.428 3.960 -0.001 0.000 0.247 810 G HA3 0.469 4.428 3.960 -0.001 0.000 0.247 810 G C 0.256 175.281 174.900 0.209 0.000 1.161 810 G CA -0.071 45.139 45.100 0.183 0.000 1.739 810 G HN 1.104 nan 8.290 nan 0.000 0.619 811 A N -0.520 122.438 122.820 0.230 0.000 2.299 811 A HA 0.641 4.960 4.320 -0.001 0.000 0.332 811 A C 0.609 178.314 177.584 0.202 0.000 1.131 811 A CA -0.582 51.552 52.037 0.162 0.000 0.844 811 A CB 0.658 19.546 19.000 -0.187 0.000 1.251 811 A HN 0.423 nan 8.150 nan 0.000 0.486 812 C N 0.826 120.200 119.300 0.122 0.000 2.692 812 C HA 0.247 4.706 4.460 -0.001 0.000 0.409 812 C C 1.257 176.342 174.990 0.159 0.000 1.284 812 C CA -0.220 58.860 59.018 0.103 0.000 1.909 812 C CB -0.677 27.102 27.740 0.065 0.000 2.713 812 C HN 0.770 nan 8.230 nan 0.000 0.649 813 S N 1.337 117.096 115.700 0.098 0.000 2.516 813 S HA 0.404 4.874 4.470 -0.001 0.000 0.282 813 S C 1.111 175.763 174.600 0.087 0.000 1.286 813 S CA 0.664 58.922 58.200 0.096 0.000 1.066 813 S CB 0.360 63.576 63.200 0.026 0.000 0.884 813 S HN 1.649 nan 8.310 nan 0.000 0.491 814 G N 1.683 110.542 108.800 0.099 0.000 2.273 814 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.280 814 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.280 814 G C 0.346 175.238 174.900 -0.013 0.000 1.047 814 G CA 0.016 45.132 45.100 0.027 0.000 0.869 814 G HN 0.973 nan 8.290 nan 0.000 0.502 815 C N 0.021 119.294 119.300 -0.046 0.000 2.679 815 C HA 0.570 5.029 4.460 -0.001 0.000 0.417 815 C C 2.103 177.028 174.990 -0.107 0.000 1.302 815 C CA 0.858 59.823 59.018 -0.088 0.000 1.973 815 C CB 0.365 27.993 27.740 -0.186 0.000 2.715 815 C HN 1.046 nan 8.230 nan 0.000 0.628 816 G N 2.374 111.143 108.800 -0.051 0.000 3.042 816 G HA2 0.069 4.029 3.960 -0.001 0.000 0.212 816 G HA3 0.069 4.029 3.960 -0.001 0.000 0.212 816 G C 1.214 176.167 174.900 0.087 0.000 1.166 816 G CA 0.210 45.304 45.100 -0.009 0.000 0.767 816 G HN 0.907 nan 8.290 nan 0.000 0.546 817 E N 0.702 120.931 120.200 0.049 0.000 2.075 817 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 817 E C 2.782 179.417 176.600 0.057 0.000 0.969 817 E CA 1.353 57.864 56.400 0.186 0.000 0.815 817 E CB -0.436 29.473 29.700 0.348 0.000 0.776 817 E HN 0.438 nan 8.360 nan 0.000 0.457 818 T N 0.203 114.541 114.554 -0.361 0.000 2.759 818 T HA -0.120 4.230 4.350 -0.001 0.000 0.269 818 T C -1.005 173.485 174.700 -0.350 0.000 1.042 818 T CA 0.969 62.739 62.100 -0.550 0.000 1.140 818 T CB -1.514 66.814 68.868 -0.900 0.000 0.864 818 T HN -0.033 nan 8.240 nan 0.000 0.455 819 P HA -0.066 nan 4.420 nan 0.000 0.215 819 P C 0.895 177.988 177.300 -0.345 0.000 1.153 819 P CA 1.090 63.959 63.100 -0.385 0.000 0.853 819 P CB -0.230 31.200 31.700 -0.449 0.000 0.788 820 Y N -0.385 119.857 120.300 -0.096 0.000 2.036 820 Y HA -0.192 4.358 4.550 -0.001 0.000 0.273 820 Y C 2.434 178.327 175.900 -0.012 0.000 1.135 820 Y CA 1.463 59.596 58.100 0.054 0.000 1.106 820 Y CB -1.804 36.801 38.460 0.242 0.000 0.976 820 Y HN -0.215 nan 8.280 nan 0.000 0.483 821 V N 0.600 120.594 119.914 0.133 0.000 2.660 821 V HA -0.289 3.831 4.120 -0.001 0.000 0.257 821 V C 2.222 178.309 176.094 -0.012 0.000 1.088 821 V CA 2.267 64.583 62.300 0.026 0.000 1.106 821 V CB -0.596 31.329 31.823 0.170 0.000 0.686 821 V HN 0.448 nan 8.190 nan 0.000 0.481 822 R N 0.297 120.722 120.500 -0.125 0.000 2.062 822 R HA -0.051 4.289 4.340 -0.001 0.000 0.229 822 R C 2.398 178.579 176.300 -0.198 0.000 1.128 822 R CA 1.813 57.802 56.100 -0.185 0.000 0.960 822 R CB -0.377 29.761 30.300 -0.270 0.000 0.855 822 R HN 0.637 nan 8.270 nan 0.000 0.432 823 V N -0.343 119.417 119.914 -0.256 0.000 2.759 823 V HA -0.098 4.022 4.120 -0.001 0.000 0.256 823 V C 1.880 177.791 176.094 -0.305 0.000 1.080 823 V CA 1.413 63.526 62.300 -0.312 0.000 1.101 823 V CB -0.376 31.172 31.823 -0.458 0.000 0.698 823 V HN 0.290 nan 8.190 nan 0.000 0.477 824 I N 2.108 122.524 120.570 -0.257 0.000 2.315 824 I HA -0.178 3.992 4.170 -0.001 0.000 0.248 824 I C 2.820 178.795 176.117 -0.237 0.000 1.117 824 I CA 2.078 63.182 61.300 -0.326 0.000 1.404 824 I CB -0.589 37.177 38.000 -0.390 0.000 1.071 824 I HN 0.595 nan 8.210 nan 0.000 0.419 825 T N -2.181 112.299 114.554 -0.122 0.000 3.023 825 T HA -0.109 4.241 4.350 -0.001 0.000 0.266 825 T C 1.682 176.318 174.700 -0.107 0.000 1.093 825 T CA 0.613 62.684 62.100 -0.049 0.000 1.129 825 T CB -0.197 68.710 68.868 0.065 0.000 0.899 825 T HN 0.348 nan 8.240 nan 0.000 0.491 826 Q N -0.198 119.500 119.800 -0.170 0.000 2.500 826 Q HA 0.175 4.515 4.340 -0.001 0.000 0.213 826 Q C 1.282 177.158 176.000 -0.206 0.000 0.974 826 Q CA 0.570 56.277 55.803 -0.161 0.000 0.918 826 Q CB -0.031 28.608 28.738 -0.164 0.000 0.980 826 Q HN 0.423 nan 8.270 nan 0.000 0.505 827 L N -2.702 118.307 121.223 -0.356 0.000 2.685 827 L HA 0.132 4.472 4.340 -0.001 0.000 0.235 827 L C 0.462 177.040 176.870 -0.487 0.000 1.070 827 L CA 0.751 55.251 54.840 -0.566 0.000 0.888 827 L CB 0.667 42.084 42.059 -1.070 0.000 1.203 827 L HN 0.095 nan 8.230 nan 0.000 0.499 828 F N -2.132 117.809 119.950 -0.016 0.000 2.856 828 F HA 0.399 4.926 4.527 -0.001 0.000 0.338 828 F C 2.038 177.846 175.800 0.012 0.000 1.100 828 F CA -0.083 57.939 58.000 0.036 0.000 1.150 828 F CB -1.050 38.016 39.000 0.109 0.000 1.101 828 F HN -0.090 nan 8.300 nan 0.000 0.548 829 G N 1.712 110.586 108.800 0.123 0.000 2.679 829 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.222 829 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.222 829 G C 1.675 176.613 174.900 0.063 0.000 1.164 829 G CA 1.714 46.859 45.100 0.074 0.000 0.769 829 G HN 0.456 nan 8.290 nan 0.000 0.610 830 E N 1.433 121.672 120.200 0.064 0.000 2.331 830 E HA -0.213 4.136 4.350 -0.001 0.000 0.199 830 E C 1.742 178.367 176.600 0.042 0.000 1.008 830 E CA 1.338 57.765 56.400 0.045 0.000 0.843 830 E CB -0.246 29.484 29.700 0.050 0.000 0.761 830 E HN 0.743 nan 8.360 nan 0.000 0.507 831 R N 0.536 121.082 120.500 0.076 0.000 2.688 831 R HA 0.362 4.702 4.340 -0.001 0.000 0.396 831 R C 0.294 176.640 176.300 0.076 0.000 1.081 831 R CA -0.352 55.788 56.100 0.066 0.000 1.093 831 R CB -0.223 30.145 30.300 0.113 0.000 1.338 831 R HN 0.096 nan 8.270 nan 0.000 0.613 832 M N -0.952 118.660 119.600 0.021 0.000 2.598 832 M HA 0.581 5.060 4.480 -0.001 0.000 0.317 832 M C -1.512 174.708 176.300 -0.133 0.000 1.179 832 M CA -0.851 54.492 55.300 0.072 0.000 0.936 832 M CB 1.713 34.418 32.600 0.175 0.000 1.713 832 M HN -0.138 nan 8.290 nan 0.000 0.460 833 F N 2.227 122.180 119.950 0.005 0.000 2.443 833 F HA 0.651 5.177 4.527 -0.001 0.000 0.335 833 F C -0.364 175.338 175.800 -0.163 0.000 1.104 833 F CA -0.512 57.431 58.000 -0.095 0.000 1.013 833 F CB 1.733 40.663 39.000 -0.118 0.000 1.136 833 F HN 0.466 nan 8.300 nan 0.000 0.470 834 I N 3.379 123.844 120.570 -0.176 0.000 2.410 834 I HA 0.427 4.596 4.170 -0.001 0.000 0.286 834 I C -0.636 175.187 176.117 -0.490 0.000 1.009 834 I CA -0.786 60.255 61.300 -0.433 0.000 1.111 834 I CB 1.684 39.298 38.000 -0.645 0.000 1.262 834 I HN 0.625 nan 8.210 nan 0.000 0.443 835 A N 5.936 128.548 122.820 -0.347 0.000 2.444 835 A HA 0.381 4.701 4.320 -0.001 0.000 0.332 835 A C -0.332 177.094 177.584 -0.264 0.000 1.430 835 A CA -0.517 51.392 52.037 -0.215 0.000 0.975 835 A CB -0.018 18.939 19.000 -0.072 0.000 1.147 835 A HN 0.678 nan 8.150 nan 0.000 0.524 836 N N 2.079 120.495 118.700 -0.474 0.000 2.414 836 N HA 0.432 5.171 4.740 -0.001 0.000 0.256 836 N C 0.259 175.602 175.510 -0.278 0.000 1.029 836 N CA 0.181 53.020 53.050 -0.352 0.000 0.948 836 N CB 1.488 39.702 38.487 -0.455 0.000 1.102 836 N HN 0.703 nan 8.380 nan 0.000 0.496 837 A N 2.741 125.361 122.820 -0.334 0.000 2.425 837 A HA 0.247 4.567 4.320 -0.001 0.000 0.242 837 A C 0.554 178.105 177.584 -0.056 0.000 1.077 837 A CA -0.058 51.793 52.037 -0.310 0.000 0.781 837 A CB 0.004 18.532 19.000 -0.786 0.000 1.020 837 A HN 0.629 nan 8.150 nan 0.000 0.494 838 T N 0.668 115.290 114.554 0.113 0.000 2.856 838 T HA 0.556 4.906 4.350 -0.001 0.000 0.306 838 T C 0.722 175.330 174.700 -0.154 0.000 1.062 838 T CA 0.696 62.779 62.100 -0.028 0.000 1.083 838 T CB 0.868 69.683 68.868 -0.088 0.000 0.984 838 T HN 2.033 nan 8.240 nan 0.000 0.542 839 G N -0.707 107.962 108.800 -0.218 0.000 2.346 839 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.294 839 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.294 839 G C 0.745 175.552 174.900 -0.157 0.000 1.294 839 G CA -0.352 44.622 45.100 -0.211 0.000 0.962 839 G HN 0.743 nan 8.290 nan 0.000 0.508 840 C N 0.352 119.594 119.300 -0.096 0.000 2.398 840 C HA -0.031 4.429 4.460 -0.001 0.000 0.282 840 C C 3.184 177.861 174.990 -0.521 0.000 1.275 840 C CA 2.007 60.982 59.018 -0.072 0.000 1.797 840 C CB -1.438 26.404 27.740 0.171 0.000 1.991 840 C HN 0.738 nan 8.230 nan 0.000 0.505 841 S N 1.446 116.827 115.700 -0.531 0.000 2.353 841 S HA -0.186 4.284 4.470 -0.001 0.000 0.222 841 S C 2.053 176.192 174.600 -0.768 0.000 1.035 841 S CA 2.028 59.660 58.200 -0.946 0.000 1.025 841 S CB -0.509 62.520 63.200 -0.285 0.000 0.902 841 S HN 0.886 nan 8.310 nan 0.000 0.440 842 S N 1.555 117.120 115.700 -0.225 0.000 2.406 842 S HA 0.080 4.550 4.470 -0.001 0.000 0.228 842 S C 1.772 176.326 174.600 -0.077 0.000 1.020 842 S CA 0.486 58.728 58.200 0.070 0.000 0.965 842 S CB -0.486 62.818 63.200 0.173 0.000 0.798 842 S HN 0.300 nan 8.310 nan 0.000 0.488 843 I N 2.254 122.740 120.570 -0.140 0.000 2.202 843 I HA -0.091 4.078 4.170 -0.001 0.000 0.242 843 I C 2.679 178.810 176.117 0.023 0.000 1.091 843 I CA 1.225 62.493 61.300 -0.053 0.000 1.368 843 I CB -1.528 36.457 38.000 -0.025 0.000 1.058 843 I HN 0.670 nan 8.210 nan 0.000 0.410 844 W N 1.013 122.333 121.300 0.033 0.000 2.576 844 W HA 0.163 4.823 4.660 -0.001 0.000 0.270 844 W C 1.795 178.289 176.519 -0.042 0.000 1.255 844 W CA 0.714 58.064 57.345 0.007 0.000 1.314 844 W CB -1.184 28.283 29.460 0.012 0.000 1.101 844 W HN 0.111 nan 8.180 nan 0.000 0.595 845 G N 0.780 109.553 108.800 -0.045 0.000 2.712 845 G HA2 0.236 4.196 3.960 -0.001 0.000 0.212 845 G HA3 0.236 4.196 3.960 -0.001 0.000 0.212 845 G C 0.902 175.568 174.900 -0.389 0.000 1.142 845 G CA 0.678 45.716 45.100 -0.102 0.000 0.789 845 G HN 0.337 nan 8.290 nan 0.000 0.535 846 A N -0.266 122.364 122.820 -0.318 0.000 3.019 846 A HA 0.550 4.870 4.320 -0.001 0.000 0.202 846 A C 0.186 177.657 177.584 -0.187 0.000 0.924 846 A CA -0.263 51.547 52.037 -0.378 0.000 1.156 846 A CB -0.049 18.526 19.000 -0.708 0.000 1.265 846 A HN 0.015 nan 8.150 nan 0.000 0.526 847 S N 2.025 117.661 115.700 -0.107 0.000 2.411 847 S HA 0.505 4.975 4.470 -0.001 0.000 0.304 847 S C 0.847 175.368 174.600 -0.133 0.000 1.098 847 S CA 0.210 58.363 58.200 -0.079 0.000 1.068 847 S CB 0.385 63.582 63.200 -0.005 0.000 1.032 847 S HN 1.095 nan 8.310 nan 0.000 0.511 848 A N 5.747 128.409 122.820 -0.263 0.000 2.561 848 A HA 0.218 4.537 4.320 -0.001 0.000 0.234 848 A C -0.514 176.985 177.584 -0.141 0.000 1.055 848 A CA -0.660 51.116 52.037 -0.436 0.000 0.756 848 A CB -0.008 18.592 19.000 -0.666 0.000 0.986 848 A HN 0.598 nan 8.150 nan 0.000 0.505 849 P HA 0.020 nan 4.420 nan 0.000 0.239 849 P C 0.542 177.909 177.300 0.112 0.000 1.188 849 P CA 0.436 63.575 63.100 0.064 0.000 0.794 849 P CB 0.167 31.971 31.700 0.173 0.000 0.937 850 S N 1.298 117.043 115.700 0.075 0.000 2.481 850 S HA 0.350 4.820 4.470 -0.001 0.000 0.276 850 S C 0.214 174.862 174.600 0.081 0.000 1.247 850 S CA -0.399 57.878 58.200 0.128 0.000 1.053 850 S CB -0.603 62.676 63.200 0.131 0.000 0.925 850 S HN -0.079 nan 8.310 nan 0.000 0.491 851 M N 7.885 127.557 119.600 0.121 0.000 2.085 851 M HA 0.314 4.793 4.480 -0.001 0.000 0.309 851 M C -1.933 174.403 176.300 0.059 0.000 0.947 851 M CA -2.375 52.958 55.300 0.056 0.000 0.918 851 M CB 1.439 34.090 32.600 0.084 0.000 1.504 851 M HN 0.380 nan 8.290 nan 0.000 0.420 852 P HA -0.159 nan 4.420 nan 0.000 0.214 852 P C 0.126 177.344 177.300 -0.136 0.000 1.163 852 P CA 1.432 64.471 63.100 -0.102 0.000 0.883 852 P CB -0.162 31.428 31.700 -0.185 0.000 0.788 853 Y N 1.746 122.010 120.300 -0.060 0.000 2.805 853 Y HA -0.034 4.515 4.550 -0.001 0.000 0.331 853 Y C 1.462 177.340 175.900 -0.037 0.000 1.241 853 Y CA 0.540 58.613 58.100 -0.045 0.000 1.546 853 Y CB -0.317 38.120 38.460 -0.038 0.000 1.248 853 Y HN 0.135 nan 8.280 nan 0.000 0.559 854 K N -0.087 120.378 120.400 0.109 0.000 2.395 854 K HA 0.711 5.031 4.320 -0.001 0.000 0.245 854 K C -0.281 176.351 176.600 0.052 0.000 1.017 854 K CA -1.192 55.130 56.287 0.058 0.000 0.852 854 K CB 1.073 33.573 32.500 -0.001 0.000 1.311 854 K HN 0.477 nan 8.250 nan 0.000 0.452 855 T N -1.412 113.162 114.554 0.033 0.000 2.824 855 T HA 0.272 4.622 4.350 -0.001 0.000 0.277 855 T C 0.215 174.920 174.700 0.010 0.000 0.975 855 T CA -0.646 61.467 62.100 0.021 0.000 0.966 855 T CB 0.364 69.242 68.868 0.017 0.000 1.054 855 T HN 0.757 nan 8.240 nan 0.000 0.533 856 N N -0.284 118.420 118.700 0.006 0.000 2.566 856 N HA 0.250 4.989 4.740 -0.001 0.000 0.299 856 N C 1.348 176.858 175.510 0.001 0.000 1.277 856 N CA -0.970 52.080 53.050 0.000 0.000 0.965 856 N CB 0.275 38.763 38.487 0.001 0.000 1.142 856 N HN 0.840 nan 8.380 nan 0.000 0.596 857 R N -1.389 119.109 120.500 -0.003 0.000 2.154 857 R HA -0.098 4.242 4.340 -0.001 0.000 0.248 857 R C 0.459 176.761 176.300 0.002 0.000 1.155 857 R CA 1.285 57.384 56.100 -0.002 0.000 0.979 857 R CB -0.702 29.593 30.300 -0.007 0.000 0.869 857 R HN 0.351 nan 8.270 nan 0.000 0.452 858 L N 0.450 121.676 121.223 0.004 0.000 2.611 858 L HA 0.299 4.638 4.340 -0.001 0.000 0.229 858 L C 1.223 178.096 176.870 0.005 0.000 1.137 858 L CA 1.180 56.024 54.840 0.006 0.000 0.901 858 L CB 0.207 42.271 42.059 0.009 0.000 1.098 858 L HN 0.631 nan 8.230 nan 0.000 0.456 859 G N -0.507 108.296 108.800 0.005 0.000 2.143 859 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.249 859 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.249 859 G C 0.275 175.174 174.900 -0.002 0.000 0.981 859 G CA 0.452 45.554 45.100 0.003 0.000 0.665 859 G HN 0.495 nan 8.290 nan 0.000 0.528 860 Q N -0.558 119.241 119.800 -0.001 0.000 2.345 860 Q HA 0.787 5.127 4.340 -0.001 0.000 0.268 860 Q C 0.099 176.097 176.000 -0.004 0.000 1.054 860 Q CA -0.610 55.188 55.803 -0.009 0.000 0.835 860 Q CB 2.729 31.464 28.738 -0.005 0.000 1.339 860 Q HN 1.200 nan 8.270 nan 0.000 0.447 861 G N 0.900 109.689 108.800 -0.017 0.000 2.488 861 G HA2 0.432 4.392 3.960 -0.001 0.000 0.301 861 G HA3 0.432 4.392 3.960 -0.001 0.000 0.301 861 G C -3.101 171.774 174.900 -0.042 0.000 1.339 861 G CA -1.120 43.979 45.100 -0.003 0.000 0.803 861 G HN 0.459 nan 8.290 nan 0.000 0.482 862 P HA 0.381 nan 4.420 nan 0.000 0.262 862 P C -0.028 177.184 177.300 -0.147 0.000 1.199 862 P CA 0.314 63.348 63.100 -0.110 0.000 0.763 862 P CB 0.817 32.451 31.700 -0.111 0.000 0.790 863 A N 4.208 126.876 122.820 -0.254 0.000 2.395 863 A HA 0.226 4.545 4.320 -0.001 0.000 0.286 863 A C -0.751 176.770 177.584 -0.105 0.000 1.193 863 A CA -0.328 51.577 52.037 -0.220 0.000 0.852 863 A CB -0.464 18.250 19.000 -0.478 0.000 1.118 863 A HN 0.625 nan 8.150 nan 0.000 0.524 864 W N 2.562 123.739 121.300 -0.205 0.000 2.520 864 W HA 0.583 5.242 4.660 -0.001 0.000 0.323 864 W C 0.238 176.737 176.519 -0.034 0.000 1.062 864 W CA 0.259 57.487 57.345 -0.196 0.000 1.215 864 W CB 1.967 31.229 29.460 -0.330 0.000 1.340 864 W HN 0.926 nan 8.180 nan 0.000 0.516 865 G N 3.820 112.366 108.800 -0.424 0.000 2.761 865 G HA2 0.194 4.154 3.960 -0.001 0.000 0.296 865 G HA3 0.194 4.154 3.960 -0.001 0.000 0.296 865 G C -2.177 172.413 174.900 -0.516 0.000 1.416 865 G CA -1.025 43.970 45.100 -0.176 0.000 1.105 865 G HN 0.436 nan 8.290 nan 0.000 0.565 866 N N 1.237 119.730 118.700 -0.344 0.000 2.426 866 N HA 0.445 5.184 4.740 -0.001 0.000 0.257 866 N C 1.002 176.338 175.510 -0.290 0.000 1.002 866 N CA 0.152 53.027 53.050 -0.293 0.000 0.942 866 N CB 2.094 40.579 38.487 -0.003 0.000 1.112 866 N HN 0.315 nan 8.380 nan 0.000 0.499 867 S N 3.585 118.939 115.700 -0.577 0.000 2.288 867 S HA 0.406 4.876 4.470 -0.001 0.000 0.198 867 S C 0.451 174.847 174.600 -0.339 0.000 1.021 867 S CA 0.480 58.200 58.200 -0.800 0.000 0.973 867 S CB -0.186 62.194 63.200 -1.366 0.000 0.946 867 S HN 0.522 nan 8.310 nan 0.000 0.470 868 L N -1.802 119.283 121.223 -0.231 0.000 2.309 868 L HA 0.475 4.815 4.340 -0.001 0.000 0.240 868 L C 0.347 177.265 176.870 0.079 0.000 1.136 868 L CA -0.695 54.114 54.840 -0.052 0.000 0.985 868 L CB 0.486 42.528 42.059 -0.029 0.000 1.572 868 L HN 0.343 nan 8.230 nan 0.000 0.426 869 F N 1.200 121.137 119.950 -0.022 0.000 2.317 869 F HA 0.019 4.545 4.527 -0.001 0.000 0.290 869 F C 2.299 178.198 175.800 0.166 0.000 1.075 869 F CA 1.156 59.182 58.000 0.044 0.000 1.380 869 F CB -0.024 39.011 39.000 0.057 0.000 1.093 869 F HN 0.608 nan 8.300 nan 0.000 0.524 870 E N 0.323 120.544 120.200 0.035 0.000 2.338 870 E HA -0.165 4.185 4.350 -0.001 0.000 0.197 870 E C -0.136 176.491 176.600 0.045 0.000 1.007 870 E CA 1.373 57.727 56.400 -0.076 0.000 0.849 870 E CB -0.760 28.902 29.700 -0.063 0.000 0.774 870 E HN 0.586 nan 8.360 nan 0.000 0.506 871 D N -0.378 120.081 120.400 0.097 0.000 2.819 871 D HA 0.340 4.979 4.640 -0.001 0.000 0.326 871 D C 0.975 177.383 176.300 0.180 0.000 1.408 871 D CA 0.143 54.223 54.000 0.134 0.000 0.811 871 D CB 0.440 41.271 40.800 0.051 0.000 1.148 871 D HN 0.091 nan 8.370 nan 0.000 0.457 872 A N 0.742 123.685 122.820 0.205 0.000 1.908 872 A HA 0.079 4.398 4.320 -0.001 0.000 0.218 872 A C 2.303 180.009 177.584 0.202 0.000 1.181 872 A CA 1.994 54.049 52.037 0.030 0.000 0.627 872 A CB -0.667 18.019 19.000 -0.523 0.000 0.818 872 A HN 0.443 nan 8.150 nan 0.000 0.445 873 A N 0.715 123.786 122.820 0.419 0.000 1.855 873 A HA -0.142 4.178 4.320 -0.001 0.000 0.215 873 A C 1.932 179.666 177.584 0.249 0.000 1.191 873 A CA 1.603 53.863 52.037 0.373 0.000 0.613 873 A CB -0.577 18.696 19.000 0.455 0.000 0.829 873 A HN 0.662 nan 8.150 nan 0.000 0.442 874 E N -1.084 119.237 120.200 0.203 0.000 2.333 874 E HA -0.234 4.116 4.350 -0.001 0.000 0.198 874 E C 1.718 178.476 176.600 0.263 0.000 1.007 874 E CA 1.411 57.908 56.400 0.161 0.000 0.845 874 E CB -0.538 29.196 29.700 0.057 0.000 0.766 874 E HN 0.743 nan 8.360 nan 0.000 0.507 875 Y N 2.337 122.690 120.300 0.090 0.000 2.206 875 Y HA 0.176 4.725 4.550 -0.001 0.000 0.292 875 Y C 2.521 178.442 175.900 0.036 0.000 1.123 875 Y CA 1.555 59.680 58.100 0.042 0.000 1.142 875 Y CB -0.630 37.825 38.460 -0.009 0.000 1.006 875 Y HN 0.042 nan 8.280 nan 0.000 0.518 876 G N -1.086 107.739 108.800 0.041 0.000 2.679 876 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.212 876 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.212 876 G C 1.384 176.272 174.900 -0.020 0.000 1.137 876 G CA 0.515 45.555 45.100 -0.100 0.000 0.787 876 G HN 0.491 nan 8.290 nan 0.000 0.534 877 F N 1.699 121.601 119.950 -0.080 0.000 2.569 877 F HA 0.258 4.784 4.527 -0.001 0.000 0.295 877 F C 2.277 178.013 175.800 -0.107 0.000 1.115 877 F CA 0.738 58.693 58.000 -0.074 0.000 1.450 877 F CB 0.060 39.053 39.000 -0.013 0.000 1.107 877 F HN 0.058 nan 8.300 nan 0.000 0.563 878 G N 0.817 109.608 108.800 -0.015 0.000 2.404 878 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.215 878 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.215 878 G C 1.618 176.366 174.900 -0.253 0.000 1.174 878 G CA 0.943 45.978 45.100 -0.110 0.000 0.780 878 G HN 0.341 nan 8.290 nan 0.000 0.537 879 M N 0.654 120.048 119.600 -0.343 0.000 2.117 879 M HA -0.095 4.385 4.480 -0.001 0.000 0.262 879 M C 2.411 178.418 176.300 -0.488 0.000 1.065 879 M CA 1.415 56.426 55.300 -0.482 0.000 1.114 879 M CB -0.636 31.569 32.600 -0.657 0.000 1.361 879 M HN 0.338 nan 8.290 nan 0.000 0.408 880 N N 0.919 119.364 118.700 -0.424 0.000 2.069 880 N HA -0.187 4.552 4.740 -0.001 0.000 0.191 880 N C 1.749 177.063 175.510 -0.327 0.000 1.031 880 N CA 1.606 54.433 53.050 -0.372 0.000 0.852 880 N CB -0.034 38.241 38.487 -0.353 0.000 1.018 880 N HN 0.349 nan 8.380 nan 0.000 0.423 881 M N 0.238 119.587 119.600 -0.418 0.000 2.080 881 M HA -0.151 4.329 4.480 -0.001 0.000 0.260 881 M C 2.583 178.799 176.300 -0.139 0.000 1.068 881 M CA 1.473 56.583 55.300 -0.317 0.000 1.109 881 M CB -0.370 32.008 32.600 -0.370 0.000 1.342 881 M HN 0.180 nan 8.290 nan 0.000 0.405 882 S N 0.068 115.665 115.700 -0.172 0.000 2.370 882 S HA -0.173 4.297 4.470 -0.001 0.000 0.226 882 S C 1.905 176.454 174.600 -0.085 0.000 1.033 882 S CA 1.269 59.401 58.200 -0.113 0.000 1.011 882 S CB -0.021 63.095 63.200 -0.141 0.000 0.852 882 S HN 0.271 nan 8.310 nan 0.000 0.457 883 M N 0.346 119.858 119.600 -0.146 0.000 2.117 883 M HA 0.083 4.562 4.480 -0.001 0.000 0.262 883 M C 1.778 178.066 176.300 -0.021 0.000 1.065 883 M CA 1.001 56.242 55.300 -0.098 0.000 1.114 883 M CB -1.704 30.800 32.600 -0.159 0.000 1.361 883 M HN 0.492 nan 8.290 nan 0.000 0.408 884 F N 0.823 120.690 119.950 -0.137 0.000 2.026 884 F HA -0.241 4.286 4.527 -0.001 0.000 0.296 884 F C 2.327 178.097 175.800 -0.051 0.000 1.133 884 F CA 2.224 60.165 58.000 -0.099 0.000 1.188 884 F CB -0.634 38.283 39.000 -0.138 0.000 0.968 884 F HN 0.161 nan 8.300 nan 0.000 0.476 885 A N 0.519 123.433 122.820 0.157 0.000 1.873 885 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 885 A C 2.300 179.899 177.584 0.025 0.000 1.193 885 A CA 2.156 54.238 52.037 0.074 0.000 0.629 885 A CB -0.889 18.156 19.000 0.074 0.000 0.826 885 A HN 0.505 nan 8.150 nan 0.000 0.447 886 R N -1.181 119.338 120.500 0.032 0.000 2.096 886 R HA -0.045 4.295 4.340 -0.001 0.000 0.235 886 R C 2.423 178.756 176.300 0.056 0.000 1.127 886 R CA 1.407 57.544 56.100 0.062 0.000 0.968 886 R CB -0.260 30.062 30.300 0.035 0.000 0.861 886 R HN 0.448 nan 8.270 nan 0.000 0.440 887 R N -0.340 120.165 120.500 0.009 0.000 2.193 887 R HA -0.008 4.332 4.340 -0.001 0.000 0.213 887 R C 1.791 178.100 176.300 0.017 0.000 1.055 887 R CA 1.148 57.274 56.100 0.044 0.000 0.995 887 R CB 0.108 30.421 30.300 0.022 0.000 0.893 887 R HN 0.173 nan 8.270 nan 0.000 0.459 888 T N -0.971 113.506 114.554 -0.127 0.000 2.896 888 T HA -0.129 4.221 4.350 -0.001 0.000 0.263 888 T C 1.476 176.201 174.700 0.042 0.000 1.050 888 T CA 1.007 63.014 62.100 -0.154 0.000 1.140 888 T CB -0.211 68.479 68.868 -0.297 0.000 0.877 888 T HN 0.457 nan 8.240 nan 0.000 0.457 889 H N 0.302 119.345 119.070 -0.045 0.000 2.319 889 H HA -0.090 4.466 4.556 -0.001 0.000 0.299 889 H C 2.311 177.635 175.328 -0.007 0.000 1.092 889 H CA 1.070 57.105 56.048 -0.021 0.000 1.302 889 H CB -0.106 29.643 29.762 -0.022 0.000 1.373 889 H HN 0.122 nan 8.280 nan 0.000 0.497 890 L N 1.008 122.284 121.223 0.089 0.000 2.042 890 L HA -0.130 4.210 4.340 -0.001 0.000 0.210 890 L C 2.452 179.338 176.870 0.027 0.000 1.076 890 L CA 1.988 56.806 54.840 -0.036 0.000 0.749 890 L CB -1.062 40.963 42.059 -0.057 0.000 0.893 890 L HN 0.367 nan 8.230 nan 0.000 0.432 891 A N -1.188 121.770 122.820 0.231 0.000 1.968 891 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 891 A C 1.911 179.586 177.584 0.152 0.000 1.169 891 A CA 1.612 53.845 52.037 0.327 0.000 0.638 891 A CB -0.670 18.492 19.000 0.271 0.000 0.812 891 A HN 0.506 nan 8.150 nan 0.000 0.446 892 D N -0.748 119.716 120.400 0.105 0.000 2.194 892 D HA -0.029 4.611 4.640 -0.001 0.000 0.204 892 D C 1.644 177.984 176.300 0.066 0.000 0.964 892 D CA 0.500 54.545 54.000 0.075 0.000 0.846 892 D CB -0.104 40.738 40.800 0.069 0.000 0.962 892 D HN 0.276 nan 8.370 nan 0.000 0.490 893 L N 0.416 121.678 121.223 0.064 0.000 2.109 893 L HA 0.079 4.418 4.340 -0.001 0.000 0.207 893 L C 2.119 178.976 176.870 -0.021 0.000 1.086 893 L CA 1.057 55.904 54.840 0.012 0.000 0.760 893 L CB -0.703 41.324 42.059 -0.053 0.000 0.910 893 L HN -0.035 nan 8.230 nan 0.000 0.437 894 A N -0.966 121.837 122.820 -0.027 0.000 1.897 894 A HA -0.051 4.268 4.320 -0.001 0.000 0.215 894 A C 2.433 180.024 177.584 0.012 0.000 1.181 894 A CA 1.406 53.419 52.037 -0.041 0.000 0.620 894 A CB -0.951 18.018 19.000 -0.051 0.000 0.821 894 A HN 0.393 nan 8.150 nan 0.000 0.443 895 A N -0.196 122.652 122.820 0.047 0.000 1.978 895 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 895 A C 2.114 179.706 177.584 0.014 0.000 1.170 895 A CA 1.918 53.976 52.037 0.035 0.000 0.636 895 A CB -0.390 18.633 19.000 0.039 0.000 0.810 895 A HN 0.549 nan 8.150 nan 0.000 0.448 896 K N -0.693 119.714 120.400 0.011 0.000 2.076 896 K HA 0.064 4.384 4.320 -0.001 0.000 0.204 896 K C 2.350 178.946 176.600 -0.006 0.000 1.051 896 K CA 0.864 57.153 56.287 0.004 0.000 0.949 896 K CB -0.286 32.218 32.500 0.008 0.000 0.726 896 K HN 0.416 nan 8.250 nan 0.000 0.443 897 A N 1.723 124.533 122.820 -0.016 0.000 1.978 897 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 897 A C 2.063 179.635 177.584 -0.020 0.000 1.170 897 A CA 1.294 53.316 52.037 -0.024 0.000 0.636 897 A CB -0.751 18.224 19.000 -0.041 0.000 0.810 897 A HN 0.189 nan 8.150 nan 0.000 0.448 898 L N -0.666 120.548 121.223 -0.016 0.000 2.187 898 L HA -0.184 4.156 4.340 -0.001 0.000 0.213 898 L C 1.652 178.515 176.870 -0.011 0.000 1.100 898 L CA 1.239 56.070 54.840 -0.014 0.000 0.765 898 L CB -0.479 41.574 42.059 -0.011 0.000 0.904 898 L HN 0.463 nan 8.230 nan 0.000 0.437 899 E N -0.211 119.983 120.200 -0.009 0.000 2.359 899 E HA 0.032 4.382 4.350 -0.001 0.000 0.187 899 E C 0.528 177.123 176.600 -0.008 0.000 1.081 899 E CA -0.156 56.239 56.400 -0.008 0.000 0.929 899 E CB 0.252 29.949 29.700 -0.005 0.000 1.086 899 E HN 0.435 nan 8.360 nan 0.000 0.462 900 S N 0.044 115.738 115.700 -0.011 0.000 2.751 900 S HA 0.150 4.619 4.470 -0.001 0.000 0.310 900 S C 0.352 174.946 174.600 -0.011 0.000 1.128 900 S CA -0.921 57.272 58.200 -0.011 0.000 0.931 900 S CB 1.337 64.529 63.200 -0.013 0.000 1.177 900 S HN 0.111 nan 8.310 nan 0.000 0.530 901 D N 0.333 120.727 120.400 -0.010 0.000 2.519 901 D HA 0.260 4.899 4.640 -0.001 0.000 0.238 901 D C 0.611 176.905 176.300 -0.011 0.000 1.192 901 D CA -0.288 53.706 54.000 -0.009 0.000 0.835 901 D CB -0.577 40.218 40.800 -0.008 0.000 0.975 901 D HN 0.675 nan 8.370 nan 0.000 0.490 902 A N 0.396 123.208 122.820 -0.013 0.000 2.386 902 A HA 0.323 4.643 4.320 -0.001 0.000 0.248 902 A C 0.744 178.320 177.584 -0.013 0.000 1.082 902 A CA -0.336 51.691 52.037 -0.016 0.000 0.789 902 A CB 0.493 19.480 19.000 -0.022 0.000 1.025 902 A HN 0.313 nan 8.150 nan 0.000 0.490 903 S N 0.670 116.362 115.700 -0.012 0.000 2.540 903 S HA 0.148 4.617 4.470 -0.001 0.000 0.272 903 S C 1.561 176.156 174.600 -0.008 0.000 1.357 903 S CA 0.433 58.628 58.200 -0.009 0.000 1.011 903 S CB 0.170 63.366 63.200 -0.008 0.000 0.852 903 S HN 1.322 nan 8.310 nan 0.000 0.535 904 G N 1.666 110.463 108.800 -0.004 0.000 2.394 904 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.215 904 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.215 904 G C 1.019 175.920 174.900 0.001 0.000 1.165 904 G CA 0.762 45.861 45.100 -0.002 0.000 0.784 904 G HN 0.758 nan 8.290 nan 0.000 0.535 905 D N 0.425 120.828 120.400 0.005 0.000 2.097 905 D HA -0.099 4.541 4.640 -0.001 0.000 0.195 905 D C 2.765 179.069 176.300 0.007 0.000 0.989 905 D CA 0.664 54.672 54.000 0.012 0.000 0.827 905 D CB -0.583 40.224 40.800 0.012 0.000 0.966 905 D HN 0.139 nan 8.370 nan 0.000 0.456 906 V N 1.178 121.088 119.914 -0.006 0.000 2.282 906 V HA -0.277 3.842 4.120 -0.001 0.000 0.249 906 V C 2.281 178.358 176.094 -0.028 0.000 1.057 906 V CA 1.786 64.073 62.300 -0.022 0.000 1.032 906 V CB -0.330 31.476 31.823 -0.028 0.000 0.645 906 V HN 0.234 nan 8.190 nan 0.000 0.447 907 K N -0.541 119.845 120.400 -0.022 0.000 2.209 907 K HA -0.223 4.097 4.320 -0.001 0.000 0.204 907 K C 2.146 178.729 176.600 -0.028 0.000 1.048 907 K CA 1.482 57.754 56.287 -0.026 0.000 0.940 907 K CB -0.142 32.347 32.500 -0.019 0.000 0.729 907 K HN 0.556 nan 8.250 nan 0.000 0.451 908 E N 0.597 120.790 120.200 -0.012 0.000 2.152 908 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 908 E C 1.863 178.455 176.600 -0.013 0.000 0.983 908 E CA 0.703 57.101 56.400 -0.004 0.000 0.818 908 E CB 0.103 29.822 29.700 0.032 0.000 0.758 908 E HN 0.311 nan 8.360 nan 0.000 0.467 909 A N 0.826 123.658 122.820 0.020 0.000 1.840 909 A HA -0.112 4.207 4.320 -0.001 0.000 0.214 909 A C 2.025 179.571 177.584 -0.064 0.000 1.198 909 A CA 0.674 52.754 52.037 0.073 0.000 0.608 909 A CB -0.660 18.379 19.000 0.065 0.000 0.839 909 A HN 0.261 nan 8.150 nan 0.000 0.443 910 L N -0.268 120.917 121.223 -0.063 0.000 1.997 910 L HA -0.268 4.072 4.340 -0.001 0.000 0.216 910 L C 2.673 179.534 176.870 -0.015 0.000 1.074 910 L CA 2.612 57.422 54.840 -0.049 0.000 0.763 910 L CB -0.926 41.096 42.059 -0.061 0.000 0.890 910 L HN 0.607 nan 8.230 nan 0.000 0.434 911 Q N -1.334 118.418 119.800 -0.079 0.000 2.172 911 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 911 Q C 2.100 177.962 176.000 -0.228 0.000 0.964 911 Q CA 1.415 57.160 55.803 -0.097 0.000 0.855 911 Q CB -0.436 28.254 28.738 -0.081 0.000 0.918 911 Q HN 0.495 nan 8.270 nan 0.000 0.444 912 G N -0.244 108.275 108.800 -0.468 0.000 2.440 912 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.218 912 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.218 912 G C 1.081 175.484 174.900 -0.829 0.000 1.154 912 G CA 0.718 45.187 45.100 -1.052 0.000 0.767 912 G HN 0.590 nan 8.290 nan 0.000 0.552 913 W N 0.732 121.650 121.300 -0.638 0.000 2.378 913 W HA -0.002 4.658 4.660 -0.001 0.000 0.313 913 W C 2.206 178.621 176.519 -0.174 0.000 1.197 913 W CA 0.834 58.031 57.345 -0.247 0.000 1.304 913 W CB -0.358 28.998 29.460 -0.174 0.000 1.148 913 W HN 0.042 nan 8.180 nan 0.000 0.494 914 L N 1.122 122.399 121.223 0.091 0.000 2.081 914 L HA -0.229 4.111 4.340 -0.001 0.000 0.212 914 L C 2.424 179.114 176.870 -0.299 0.000 1.080 914 L CA 2.403 57.182 54.840 -0.100 0.000 0.754 914 L CB -2.111 39.989 42.059 0.068 0.000 0.893 914 L HN 0.286 nan 8.230 nan 0.000 0.433 915 A N -1.281 121.390 122.820 -0.249 0.000 2.016 915 A HA 0.105 4.425 4.320 -0.001 0.000 0.217 915 A C 1.903 179.349 177.584 -0.229 0.000 1.162 915 A CA 1.182 53.092 52.037 -0.211 0.000 0.662 915 A CB -0.493 18.406 19.000 -0.168 0.000 0.812 915 A HN 0.438 nan 8.150 nan 0.000 0.450 916 G N 0.012 108.635 108.800 -0.294 0.000 3.899 916 G HA2 0.251 4.211 3.960 -0.001 0.000 0.293 916 G HA3 0.251 4.211 3.960 -0.001 0.000 0.293 916 G C 0.999 175.657 174.900 -0.402 0.000 1.054 916 G CA 0.465 45.430 45.100 -0.225 0.000 0.846 916 G HN 0.636 nan 8.290 nan 0.000 0.525 917 K N -0.044 119.936 120.400 -0.700 0.000 2.074 917 K HA -0.123 4.197 4.320 -0.001 0.000 0.209 917 K C 1.092 177.442 176.600 -0.416 0.000 1.048 917 K CA 1.557 57.283 56.287 -0.936 0.000 0.926 917 K CB -0.246 31.604 32.500 -1.084 0.000 0.713 917 K HN 0.282 nan 8.250 nan 0.000 0.444 918 N N 0.814 119.347 118.700 -0.279 0.000 2.295 918 N HA 0.038 4.778 4.740 -0.001 0.000 0.221 918 N C -1.173 174.283 175.510 -0.089 0.000 1.129 918 N CA -0.316 52.643 53.050 -0.151 0.000 0.836 918 N CB 0.418 38.826 38.487 -0.132 0.000 1.040 918 N HN 0.214 nan 8.380 nan 0.000 0.494 919 D N 0.564 120.915 120.400 -0.081 0.000 2.349 919 D HA 0.161 4.801 4.640 -0.001 0.000 0.232 919 D C -1.769 174.539 176.300 0.014 0.000 1.071 919 D CA -2.425 51.562 54.000 -0.023 0.000 0.832 919 D CB 1.633 42.424 40.800 -0.014 0.000 1.086 919 D HN -0.019 nan 8.370 nan 0.000 0.504 920 P HA 0.015 nan 4.420 nan 0.000 0.244 920 P C 0.623 177.970 177.300 0.079 0.000 1.211 920 P CA 0.533 63.676 63.100 0.071 0.000 0.760 920 P CB 0.449 32.204 31.700 0.091 0.000 0.961 921 I N -0.905 119.703 120.570 0.062 0.000 3.345 921 I HA 0.062 4.232 4.170 -0.001 0.000 0.258 921 I C 2.220 178.365 176.117 0.047 0.000 1.134 921 I CA 0.380 61.711 61.300 0.052 0.000 1.457 921 I CB 0.033 38.058 38.000 0.042 0.000 1.425 921 I HN -0.310 nan 8.210 nan 0.000 0.461 922 K N 0.937 121.374 120.400 0.061 0.000 2.062 922 K HA -0.047 4.272 4.320 -0.001 0.000 0.205 922 K C 2.242 178.959 176.600 0.196 0.000 1.051 922 K CA 1.744 58.104 56.287 0.120 0.000 0.941 922 K CB -0.622 31.977 32.500 0.164 0.000 0.719 922 K HN 0.393 nan 8.250 nan 0.000 0.440 923 S N 1.251 117.017 115.700 0.111 0.000 2.383 923 S HA -0.172 4.298 4.470 -0.001 0.000 0.229 923 S C 2.090 176.862 174.600 0.287 0.000 1.030 923 S CA 1.429 59.714 58.200 0.141 0.000 1.002 923 S CB -0.076 63.158 63.200 0.057 0.000 0.829 923 S HN 0.301 nan 8.310 nan 0.000 0.467 924 K N 1.153 121.664 120.400 0.186 0.000 2.098 924 K HA 0.001 4.321 4.320 -0.001 0.000 0.203 924 K C 2.393 179.056 176.600 0.104 0.000 1.051 924 K CA 1.016 57.403 56.287 0.166 0.000 0.957 924 K CB -0.320 32.250 32.500 0.117 0.000 0.738 924 K HN 0.576 nan 8.250 nan 0.000 0.447 925 E N -0.358 119.857 120.200 0.025 0.000 2.070 925 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 925 E C 1.584 178.078 176.600 -0.177 0.000 1.004 925 E CA 1.575 57.901 56.400 -0.123 0.000 0.805 925 E CB -0.106 29.432 29.700 -0.270 0.000 0.744 925 E HN 0.379 nan 8.360 nan 0.000 0.451 926 Y N -0.380 119.966 120.300 0.077 0.000 2.314 926 Y HA 0.110 4.659 4.550 -0.001 0.000 0.294 926 Y C 2.433 178.339 175.900 0.011 0.000 1.119 926 Y CA 1.106 59.248 58.100 0.069 0.000 1.179 926 Y CB -0.620 37.918 38.460 0.131 0.000 1.025 926 Y HN 0.161 nan 8.280 nan 0.000 0.541 927 G N -0.256 108.675 108.800 0.218 0.000 2.432 927 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.219 927 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.219 927 G C 1.167 176.079 174.900 0.019 0.000 1.135 927 G CA 1.275 46.344 45.100 -0.052 0.000 0.767 927 G HN 0.284 nan 8.290 nan 0.000 0.550 928 D N 0.656 121.111 120.400 0.092 0.000 2.149 928 D HA -0.016 4.624 4.640 -0.001 0.000 0.201 928 D C 2.368 178.690 176.300 0.037 0.000 0.972 928 D CA 0.717 54.766 54.000 0.082 0.000 0.835 928 D CB -0.165 40.669 40.800 0.057 0.000 0.966 928 D HN 0.261 nan 8.370 nan 0.000 0.476 929 K N 0.025 120.433 120.400 0.013 0.000 2.097 929 K HA -0.099 4.221 4.320 -0.001 0.000 0.206 929 K C 1.860 178.456 176.600 -0.007 0.000 1.049 929 K CA 0.425 56.718 56.287 0.011 0.000 0.933 929 K CB -0.044 32.479 32.500 0.038 0.000 0.717 929 K HN 0.015 nan 8.250 nan 0.000 0.442 930 L N 1.618 122.801 121.223 -0.068 0.000 2.156 930 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 930 L C 2.008 178.848 176.870 -0.050 0.000 1.095 930 L CA 1.672 56.414 54.840 -0.163 0.000 0.770 930 L CB -0.404 41.360 42.059 -0.493 0.000 0.914 930 L HN 0.025 nan 8.230 nan 0.000 0.439 931 K N -0.738 119.703 120.400 0.068 0.000 2.211 931 K HA -0.164 4.155 4.320 -0.001 0.000 0.203 931 K C 1.931 178.585 176.600 0.089 0.000 1.050 931 K CA 1.117 57.528 56.287 0.206 0.000 0.945 931 K CB 0.186 32.830 32.500 0.241 0.000 0.732 931 K HN 0.283 nan 8.250 nan 0.000 0.451 932 K N 0.206 120.635 120.400 0.049 0.000 2.128 932 K HA 0.045 4.364 4.320 -0.001 0.000 0.202 932 K C 2.061 178.671 176.600 0.017 0.000 1.050 932 K CA 0.490 56.794 56.287 0.028 0.000 0.966 932 K CB 0.065 32.577 32.500 0.020 0.000 0.759 932 K HN 0.070 nan 8.250 nan 0.000 0.454 933 L N 0.981 122.209 121.223 0.008 0.000 2.083 933 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 933 L C 1.622 178.490 176.870 -0.003 0.000 1.083 933 L CA 1.158 55.997 54.840 -0.002 0.000 0.752 933 L CB -0.135 41.916 42.059 -0.013 0.000 0.899 933 L HN 0.203 nan 8.230 nan 0.000 0.433 934 L N -0.401 120.824 121.223 0.003 0.000 2.741 934 L HA 0.273 4.612 4.340 -0.001 0.000 0.237 934 L C 0.851 177.729 176.870 0.013 0.000 1.178 934 L CA -0.649 54.195 54.840 0.006 0.000 0.973 934 L CB -0.257 41.810 42.059 0.012 0.000 1.255 934 L HN 0.032 nan 8.230 nan 0.000 0.498 935 A N 0.292 123.120 122.820 0.014 0.000 2.524 935 A HA 0.447 4.766 4.320 -0.001 0.000 0.250 935 A C 1.412 178.998 177.584 0.002 0.000 1.078 935 A CA 0.854 52.897 52.037 0.011 0.000 0.761 935 A CB 0.025 19.032 19.000 0.012 0.000 1.012 935 A HN 0.619 nan 8.150 nan 0.000 0.500 936 G N 1.018 109.817 108.800 -0.002 0.000 2.336 936 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.233 936 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.233 936 G C 0.576 175.471 174.900 -0.008 0.000 1.053 936 G CA 0.576 45.673 45.100 -0.006 0.000 0.625 936 G HN 1.232 nan 8.290 nan 0.000 0.511 937 Q N 1.112 120.907 119.800 -0.008 0.000 2.308 937 Q HA 0.449 4.789 4.340 -0.001 0.000 0.313 937 Q C 1.012 177.003 176.000 -0.016 0.000 1.075 937 Q CA 1.559 57.355 55.803 -0.012 0.000 0.995 937 Q CB 0.426 29.157 28.738 -0.012 0.000 1.107 937 Q HN 0.584 nan 8.270 nan 0.000 0.380 938 K N 1.853 122.243 120.400 -0.016 0.000 2.562 938 K HA 0.176 4.495 4.320 -0.001 0.000 0.218 938 K C -0.927 175.662 176.600 -0.019 0.000 1.374 938 K CA -0.095 56.181 56.287 -0.019 0.000 0.996 938 K CB 0.907 33.397 32.500 -0.016 0.000 1.127 938 K HN 0.609 nan 8.250 nan 0.000 0.603 939 D N 1.233 121.623 120.400 -0.017 0.000 2.177 939 D HA 0.282 4.922 4.640 -0.001 0.000 0.247 939 D C 0.794 177.083 176.300 -0.018 0.000 1.063 939 D CA 0.102 54.093 54.000 -0.016 0.000 0.867 939 D CB 1.489 42.281 40.800 -0.012 0.000 1.168 939 D HN 0.212 nan 8.370 nan 0.000 0.445 940 G N 1.307 110.097 108.800 -0.017 0.000 2.595 940 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.382 940 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.382 940 G C 1.126 176.012 174.900 -0.024 0.000 1.327 940 G CA 0.012 45.101 45.100 -0.017 0.000 0.916 940 G HN 0.588 nan 8.290 nan 0.000 0.547 941 L N -1.862 119.348 121.223 -0.022 0.000 2.239 941 L HA -0.319 4.021 4.340 -0.001 0.000 0.242 941 L C 3.030 179.875 176.870 -0.042 0.000 1.130 941 L CA 2.854 57.675 54.840 -0.030 0.000 0.852 941 L CB -0.661 41.384 42.059 -0.024 0.000 0.959 941 L HN 0.599 nan 8.230 nan 0.000 0.447 942 L N -0.333 120.868 121.223 -0.036 0.000 2.079 942 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 942 L C 2.395 179.243 176.870 -0.036 0.000 1.081 942 L CA 2.208 57.025 54.840 -0.038 0.000 0.752 942 L CB -1.067 40.974 42.059 -0.030 0.000 0.896 942 L HN 0.389 nan 8.230 nan 0.000 0.433 943 G N -2.202 106.578 108.800 -0.033 0.000 2.402 943 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 943 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 943 G C 1.414 176.286 174.900 -0.047 0.000 1.162 943 G CA 0.398 45.478 45.100 -0.033 0.000 0.777 943 G HN 0.430 nan 8.290 nan 0.000 0.539 944 Q N 0.053 119.818 119.800 -0.058 0.000 2.014 944 Q HA -0.123 4.216 4.340 -0.001 0.000 0.207 944 Q C 2.650 178.587 176.000 -0.105 0.000 0.993 944 Q CA 1.530 57.281 55.803 -0.088 0.000 0.850 944 Q CB -0.362 28.315 28.738 -0.101 0.000 0.916 944 Q HN 0.540 nan 8.270 nan 0.000 0.417 945 I N 0.745 121.259 120.570 -0.093 0.000 2.335 945 I HA -0.276 3.893 4.170 -0.001 0.000 0.251 945 I C 2.413 178.533 176.117 0.004 0.000 1.129 945 I CA 0.902 62.157 61.300 -0.074 0.000 1.402 945 I CB -0.529 37.416 38.000 -0.090 0.000 1.069 945 I HN 0.157 nan 8.210 nan 0.000 0.424 946 A N 0.868 123.684 122.820 -0.008 0.000 1.930 946 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 946 A C 2.493 180.042 177.584 -0.058 0.000 1.175 946 A CA 1.626 53.674 52.037 0.019 0.000 0.627 946 A CB -0.566 18.433 19.000 -0.001 0.000 0.815 946 A HN 0.431 nan 8.150 nan 0.000 0.443 947 A N -1.090 121.675 122.820 -0.091 0.000 2.167 947 A HA 0.232 4.552 4.320 -0.001 0.000 0.214 947 A C 1.682 179.154 177.584 -0.188 0.000 1.151 947 A CA 0.812 52.776 52.037 -0.122 0.000 0.735 947 A CB -0.430 18.514 19.000 -0.094 0.000 0.802 947 A HN 0.482 nan 8.150 nan 0.000 0.467 948 M N 0.247 119.707 119.600 -0.234 0.000 2.723 948 M HA 0.050 4.529 4.480 -0.001 0.000 0.270 948 M C 1.621 177.575 176.300 -0.577 0.000 1.282 948 M CA 0.317 55.444 55.300 -0.289 0.000 0.995 948 M CB 0.125 32.592 32.600 -0.222 0.000 1.430 948 M HN 0.450 nan 8.290 nan 0.000 0.477 949 S N 1.119 116.355 115.700 -0.773 0.000 2.469 949 S HA -0.140 4.329 4.470 -0.001 0.000 0.238 949 S C 1.218 175.372 174.600 -0.743 0.000 0.998 949 S CA 1.482 58.870 58.200 -1.353 0.000 0.957 949 S CB -0.221 62.533 63.200 -0.742 0.000 0.764 949 S HN 0.641 nan 8.310 nan 0.000 0.514 950 D N 0.595 120.768 120.400 -0.380 0.000 2.336 950 D HA 0.096 4.735 4.640 -0.001 0.000 0.228 950 D C 1.107 177.358 176.300 -0.082 0.000 1.120 950 D CA -0.082 53.815 54.000 -0.172 0.000 0.839 950 D CB -0.144 40.596 40.800 -0.100 0.000 0.932 950 D HN 0.501 nan 8.370 nan 0.000 0.509 951 L N -1.086 120.064 121.223 -0.123 0.000 3.039 951 L HA 0.128 4.467 4.340 -0.001 0.000 0.269 951 L C 1.302 178.305 176.870 0.222 0.000 1.169 951 L CA -0.332 54.531 54.840 0.039 0.000 0.986 951 L CB 0.078 42.141 42.059 0.006 0.000 1.377 951 L HN -0.148 nan 8.230 nan 0.000 0.575 952 Y N 0.911 121.272 120.300 0.101 0.000 2.128 952 Y HA -0.148 4.402 4.550 -0.001 0.000 0.284 952 Y C 1.923 178.099 175.900 0.460 0.000 1.154 952 Y CA 0.789 59.023 58.100 0.224 0.000 1.149 952 Y CB -0.847 37.647 38.460 0.056 0.000 0.976 952 Y HN 0.030 nan 8.280 nan 0.000 0.505 953 T N 1.421 116.226 114.554 0.419 0.000 2.767 953 T HA 0.167 4.517 4.350 -0.001 0.000 0.288 953 T C -0.115 174.709 174.700 0.207 0.000 0.963 953 T CA -0.941 61.335 62.100 0.293 0.000 1.019 953 T CB 0.530 69.526 68.868 0.213 0.000 0.923 953 T HN 0.017 nan 8.240 nan 0.000 0.468 954 K N 4.490 124.980 120.400 0.150 0.000 2.530 954 K HA 0.032 4.351 4.320 -0.001 0.000 0.280 954 K C 0.270 176.937 176.600 0.112 0.000 1.004 954 K CA 0.507 56.853 56.287 0.098 0.000 1.071 954 K CB 0.338 32.861 32.500 0.038 0.000 0.876 954 K HN 0.647 nan 8.250 nan 0.000 0.487 955 K N 1.475 121.950 120.400 0.125 0.000 2.123 955 K HA 0.174 4.494 4.320 -0.001 0.000 0.248 955 K C -0.245 176.432 176.600 0.129 0.000 0.969 955 K CA -0.656 55.736 56.287 0.174 0.000 0.882 955 K CB 1.680 34.374 32.500 0.323 0.000 1.080 955 K HN 0.332 nan 8.250 nan 0.000 0.441 956 S N 1.289 117.087 115.700 0.163 0.000 2.498 956 S HA 0.232 4.701 4.470 -0.001 0.000 0.324 956 S C -0.661 174.038 174.600 0.165 0.000 1.071 956 S CA -0.738 57.511 58.200 0.081 0.000 1.113 956 S CB 0.364 63.635 63.200 0.118 0.000 0.976 956 S HN 0.321 nan 8.310 nan 0.000 0.462 957 V N 6.506 126.397 119.914 -0.038 0.000 2.372 957 V HA 0.348 4.467 4.120 -0.001 0.000 0.261 957 V C -0.494 175.492 176.094 -0.181 0.000 1.055 957 V CA -0.499 61.787 62.300 -0.023 0.000 0.930 957 V CB -0.337 31.404 31.823 -0.138 0.000 1.031 957 V HN 0.826 nan 8.190 nan 0.000 0.479 958 W N 4.838 126.084 121.300 -0.091 0.000 2.512 958 W HA 0.716 5.376 4.660 -0.001 0.000 0.335 958 W C -0.139 176.284 176.519 -0.159 0.000 1.088 958 W CA -0.621 56.651 57.345 -0.121 0.000 1.236 958 W CB 1.312 30.613 29.460 -0.265 0.000 1.307 958 W HN 0.345 nan 8.180 nan 0.000 0.567 959 I N 4.178 124.886 120.570 0.230 0.000 2.420 959 I HA 0.236 4.406 4.170 -0.001 0.000 0.282 959 I C -0.987 175.350 176.117 0.366 0.000 1.019 959 I CA -0.816 60.577 61.300 0.155 0.000 1.130 959 I CB 0.432 38.545 38.000 0.189 0.000 1.262 959 I HN 0.053 nan 8.210 nan 0.000 0.454 960 F N 3.799 123.756 119.950 0.012 0.000 2.421 960 F HA 0.836 5.363 4.527 -0.001 0.000 0.337 960 F C 0.784 176.416 175.800 -0.280 0.000 1.105 960 F CA -1.323 56.705 58.000 0.046 0.000 1.049 960 F CB 1.769 40.847 39.000 0.131 0.000 1.139 960 F HN 0.477 nan 8.300 nan 0.000 0.479 961 G N 0.541 109.346 108.800 0.007 0.000 2.489 961 G HA2 0.509 4.468 3.960 -0.001 0.000 0.291 961 G HA3 0.509 4.468 3.960 -0.001 0.000 0.291 961 G C -0.874 174.207 174.900 0.302 0.000 1.487 961 G CA -0.211 44.844 45.100 -0.074 0.000 0.795 961 G HN 0.898 nan 8.290 nan 0.000 0.513 962 G N -1.103 107.921 108.800 0.373 0.000 2.606 962 G HA2 0.508 4.467 3.960 -0.001 0.000 0.262 962 G HA3 0.508 4.467 3.960 -0.001 0.000 0.262 962 G C 0.849 176.029 174.900 0.467 0.000 1.394 962 G CA 0.664 45.965 45.100 0.336 0.000 1.044 962 G HN 0.714 nan 8.290 nan 0.000 0.553 963 D N -0.768 119.845 120.400 0.354 0.000 2.183 963 D HA -0.059 4.580 4.640 -0.001 0.000 0.203 963 D C 2.157 178.707 176.300 0.417 0.000 0.969 963 D CA 1.208 55.444 54.000 0.395 0.000 0.842 963 D CB -0.689 40.136 40.800 0.042 0.000 0.957 963 D HN 0.454 nan 8.370 nan 0.000 0.484 964 G N 0.230 109.260 108.800 0.383 0.000 2.422 964 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.218 964 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.218 964 G C 1.375 176.475 174.900 0.333 0.000 1.146 964 G CA 0.723 46.040 45.100 0.362 0.000 0.769 964 G HN 0.445 nan 8.290 nan 0.000 0.547 965 W N 1.553 122.995 121.300 0.237 0.000 2.452 965 W HA 0.283 4.942 4.660 -0.001 0.000 0.313 965 W C 2.614 179.182 176.519 0.082 0.000 1.176 965 W CA 2.041 59.393 57.345 0.012 0.000 1.350 965 W CB -0.414 29.143 29.460 0.162 0.000 1.148 965 W HN 0.189 nan 8.180 nan 0.000 0.498 966 A N -0.473 122.151 122.820 -0.327 0.000 1.902 966 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 966 A C 1.814 179.198 177.584 -0.332 0.000 1.181 966 A CA 1.863 53.442 52.037 -0.763 0.000 0.623 966 A CB -1.345 17.481 19.000 -0.290 0.000 0.818 966 A HN 0.567 nan 8.150 nan 0.000 0.443 967 Y N -0.474 119.733 120.300 -0.156 0.000 2.490 967 Y HA 0.068 4.618 4.550 -0.001 0.000 0.285 967 Y C 1.585 177.408 175.900 -0.128 0.000 1.117 967 Y CA 0.691 58.682 58.100 -0.182 0.000 1.262 967 Y CB 0.124 38.541 38.460 -0.071 0.000 1.043 967 Y HN 0.311 nan 8.280 nan 0.000 0.553 968 D N -0.926 119.563 120.400 0.148 0.000 3.168 968 D HA 0.031 4.670 4.640 -0.001 0.000 0.219 968 D C 1.999 178.314 176.300 0.025 0.000 1.310 968 D CA -0.106 53.983 54.000 0.149 0.000 1.348 968 D CB -0.814 40.206 40.800 0.367 0.000 0.925 968 D HN 0.024 nan 8.370 nan 0.000 0.185 969 I N 0.945 121.495 120.570 -0.033 0.000 2.194 969 I HA -0.196 3.974 4.170 -0.001 0.000 0.246 969 I C 1.676 177.635 176.117 -0.263 0.000 1.093 969 I CA 1.993 63.168 61.300 -0.208 0.000 1.355 969 I CB -0.012 37.745 38.000 -0.406 0.000 1.046 969 I HN 0.191 nan 8.210 nan 0.000 0.413 970 G N -1.708 106.858 108.800 -0.390 0.000 3.088 970 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.217 970 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.217 970 G C 1.154 175.779 174.900 -0.457 0.000 1.159 970 G CA -0.002 44.830 45.100 -0.446 0.000 0.760 970 G HN 0.414 nan 8.290 nan 0.000 0.550 971 Y N 2.296 122.311 120.300 -0.476 0.000 2.014 971 Y HA -0.205 4.345 4.550 -0.001 0.000 0.272 971 Y C 2.646 178.402 175.900 -0.241 0.000 1.164 971 Y CA 1.932 59.810 58.100 -0.371 0.000 1.114 971 Y CB -0.764 37.551 38.460 -0.241 0.000 0.961 971 Y HN 0.118 nan 8.280 nan 0.000 0.489 972 G N -0.807 107.792 108.800 -0.336 0.000 2.545 972 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.222 972 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.222 972 G C 1.849 176.571 174.900 -0.297 0.000 1.126 972 G CA 1.203 46.086 45.100 -0.361 0.000 0.754 972 G HN 0.713 nan 8.290 nan 0.000 0.583 973 G N 0.375 109.038 108.800 -0.228 0.000 2.411 973 G HA2 0.032 3.991 3.960 -0.001 0.000 0.213 973 G HA3 0.032 3.991 3.960 -0.001 0.000 0.213 973 G C 1.708 176.525 174.900 -0.139 0.000 1.166 973 G CA 0.835 45.848 45.100 -0.145 0.000 0.802 973 G HN 0.439 nan 8.290 nan 0.000 0.533 974 L N 1.286 122.384 121.223 -0.209 0.000 2.043 974 L HA -0.090 4.249 4.340 -0.001 0.000 0.212 974 L C 2.142 178.901 176.870 -0.184 0.000 1.075 974 L CA 2.815 57.552 54.840 -0.172 0.000 0.752 974 L CB -0.751 41.101 42.059 -0.345 0.000 0.891 974 L HN 0.302 nan 8.230 nan 0.000 0.432 975 D N -1.890 118.308 120.400 -0.337 0.000 2.097 975 D HA -0.274 4.365 4.640 -0.001 0.000 0.195 975 D C 2.227 178.410 176.300 -0.197 0.000 0.989 975 D CA 1.441 55.264 54.000 -0.295 0.000 0.827 975 D CB -0.185 40.292 40.800 -0.537 0.000 0.966 975 D HN 0.569 nan 8.370 nan 0.000 0.456 976 H N -0.259 118.650 119.070 -0.268 0.000 2.293 976 H HA -0.083 4.473 4.556 -0.001 0.000 0.300 976 H C 2.175 177.306 175.328 -0.328 0.000 1.082 976 H CA 1.576 57.467 56.048 -0.263 0.000 1.308 976 H CB -0.181 29.422 29.762 -0.265 0.000 1.375 976 H HN 0.084 nan 8.280 nan 0.000 0.495 977 V N 1.546 121.320 119.914 -0.232 0.000 2.287 977 V HA -0.284 3.836 4.120 -0.001 0.000 0.248 977 V C 3.005 178.975 176.094 -0.208 0.000 1.053 977 V CA 1.660 63.752 62.300 -0.348 0.000 1.027 977 V CB -0.657 31.063 31.823 -0.173 0.000 0.646 977 V HN 0.348 nan 8.190 nan 0.000 0.447 978 L N -0.069 121.054 121.223 -0.168 0.000 2.131 978 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 978 L C 2.575 179.269 176.870 -0.294 0.000 1.092 978 L CA 1.502 56.250 54.840 -0.154 0.000 0.759 978 L CB -0.693 41.289 42.059 -0.127 0.000 0.903 978 L HN 0.388 nan 8.230 nan 0.000 0.435 979 A N -0.286 122.235 122.820 -0.499 0.000 2.119 979 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 979 A C 2.431 179.887 177.584 -0.214 0.000 1.152 979 A CA 1.210 52.881 52.037 -0.610 0.000 0.708 979 A CB -0.412 18.203 19.000 -0.642 0.000 0.805 979 A HN 0.496 nan 8.150 nan 0.000 0.460 980 S N -1.112 114.429 115.700 -0.264 0.000 2.474 980 S HA 0.203 4.672 4.470 -0.001 0.000 0.235 980 S C 1.696 176.250 174.600 -0.077 0.000 0.997 980 S CA 1.345 59.441 58.200 -0.172 0.000 0.949 980 S CB -0.741 62.393 63.200 -0.109 0.000 0.766 980 S HN 1.874 nan 8.310 nan 0.000 0.517 981 G N 0.510 109.304 108.800 -0.010 0.000 2.196 981 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.268 981 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.268 981 G C -0.051 174.838 174.900 -0.019 0.000 0.975 981 G CA 0.640 45.715 45.100 -0.041 0.000 0.648 981 G HN 0.650 nan 8.290 nan 0.000 0.538 982 E N 0.158 120.374 120.200 0.027 0.000 2.369 982 E HA 0.352 4.702 4.350 -0.001 0.000 0.255 982 E C -0.162 176.431 176.600 -0.011 0.000 1.172 982 E CA -0.391 56.003 56.400 -0.010 0.000 0.932 982 E CB 0.435 30.125 29.700 -0.015 0.000 1.040 982 E HN 0.122 nan 8.360 nan 0.000 0.454 983 D N 1.972 122.334 120.400 -0.064 0.000 2.470 983 D HA 0.109 4.748 4.640 -0.001 0.000 0.226 983 D C -1.187 175.048 176.300 -0.108 0.000 1.196 983 D CA -0.146 53.799 54.000 -0.091 0.000 0.979 983 D CB -0.367 40.365 40.800 -0.114 0.000 1.059 983 D HN 0.208 nan 8.370 nan 0.000 0.515 984 V N 0.782 120.644 119.914 -0.086 0.000 3.102 984 V HA 0.675 4.794 4.120 -0.001 0.000 0.312 984 V C -0.670 175.303 176.094 -0.201 0.000 1.135 984 V CA -1.120 61.098 62.300 -0.136 0.000 1.022 984 V CB 2.375 34.186 31.823 -0.020 0.000 1.056 984 V HN 0.272 nan 8.190 nan 0.000 0.436 985 N N 1.676 120.145 118.700 -0.385 0.000 2.483 985 N HA 0.506 5.245 4.740 -0.001 0.000 0.267 985 N C -0.796 174.629 175.510 -0.143 0.000 0.998 985 N CA -0.210 52.527 53.050 -0.523 0.000 0.918 985 N CB 2.173 39.741 38.487 -1.531 0.000 1.215 985 N HN 0.999 nan 8.380 nan 0.000 0.500 986 V N 1.404 121.409 119.914 0.152 0.000 2.427 986 V HA 0.634 4.754 4.120 -0.001 0.000 0.286 986 V C -1.038 175.427 176.094 0.617 0.000 1.034 986 V CA -0.513 62.037 62.300 0.416 0.000 0.893 986 V CB 0.869 32.954 31.823 0.438 0.000 0.982 986 V HN 0.454 nan 8.190 nan 0.000 0.452 987 F N 6.106 126.434 119.950 0.629 0.000 2.460 987 F HA 0.731 5.257 4.527 -0.001 0.000 0.341 987 F C -0.514 175.544 175.800 0.431 0.000 1.130 987 F CA -0.752 57.594 58.000 0.577 0.000 0.962 987 F CB 1.823 41.250 39.000 0.710 0.000 1.171 987 F HN 0.487 nan 8.300 nan 0.000 0.436 988 V N 7.499 127.343 119.914 -0.117 0.000 2.370 988 V HA 0.321 4.440 4.120 -0.001 0.000 0.279 988 V C -0.070 175.832 176.094 -0.321 0.000 1.029 988 V CA -0.591 61.714 62.300 0.009 0.000 0.870 988 V CB 1.313 33.259 31.823 0.206 0.000 0.984 988 V HN 0.698 nan 8.190 nan 0.000 0.451 989 M N 4.264 123.760 119.600 -0.173 0.000 2.077 989 M HA 0.320 4.799 4.480 -0.001 0.000 0.348 989 M C -0.189 176.088 176.300 -0.038 0.000 1.252 989 M CA 0.055 55.233 55.300 -0.202 0.000 1.096 989 M CB 0.436 33.020 32.600 -0.026 0.000 1.568 989 M HN 0.452 nan 8.290 nan 0.000 0.456 990 D N 1.837 122.197 120.400 -0.067 0.000 2.339 990 D HA 0.177 4.817 4.640 -0.001 0.000 0.241 990 D C 0.755 176.960 176.300 -0.159 0.000 1.183 990 D CA 0.107 54.110 54.000 0.006 0.000 0.859 990 D CB 1.022 41.941 40.800 0.199 0.000 1.067 990 D HN 0.720 nan 8.370 nan 0.000 0.484 991 T N -0.339 114.165 114.554 -0.083 0.000 3.040 991 T HA 0.093 4.442 4.350 -0.001 0.000 0.250 991 T C 0.467 175.115 174.700 -0.087 0.000 1.058 991 T CA -0.281 61.743 62.100 -0.126 0.000 0.988 991 T CB -0.081 68.764 68.868 -0.039 0.000 0.993 991 T HN 0.564 nan 8.240 nan 0.000 0.519 992 E N -0.199 119.975 120.200 -0.043 0.000 2.553 992 E HA -0.108 4.242 4.350 -0.001 0.000 0.264 992 E C -0.511 176.075 176.600 -0.022 0.000 1.068 992 E CA 0.273 56.660 56.400 -0.021 0.000 0.774 992 E CB -2.054 27.689 29.700 0.072 0.000 1.349 992 E HN 0.494 nan 8.360 nan 0.000 0.404 993 V N -0.580 119.346 119.914 0.019 0.000 3.143 993 V HA 0.128 4.247 4.120 -0.001 0.000 0.264 993 V C -1.807 174.422 176.094 0.225 0.000 1.874 993 V CA -0.970 61.362 62.300 0.054 0.000 0.968 993 V CB 1.234 33.053 31.823 -0.008 0.000 1.351 993 V HN 0.137 nan 8.190 nan 0.000 0.459 994 Y N 2.628 122.927 120.300 -0.002 0.000 2.556 994 Y HA 0.446 4.995 4.550 -0.001 0.000 0.352 994 Y C 1.332 177.218 175.900 -0.024 0.000 1.006 994 Y CA 0.284 58.388 58.100 0.006 0.000 1.277 994 Y CB 0.817 39.267 38.460 -0.017 0.000 1.136 994 Y HN 0.655 nan 8.280 nan 0.000 0.523 995 S N 2.339 118.104 115.700 0.108 0.000 2.331 995 S HA -0.196 4.273 4.470 -0.001 0.000 0.208 995 S C 1.964 176.574 174.600 0.017 0.000 1.032 995 S CA 1.114 59.344 58.200 0.049 0.000 0.991 995 S CB -0.282 62.947 63.200 0.049 0.000 0.980 995 S HN 0.833 nan 8.310 nan 0.000 0.433 996 N N 1.149 119.845 118.700 -0.007 0.000 2.200 996 N HA -0.214 4.526 4.740 -0.001 0.000 0.199 996 N C 1.279 176.754 175.510 -0.058 0.000 0.987 996 N CA 2.593 55.618 53.050 -0.041 0.000 0.908 996 N CB -0.429 38.000 38.487 -0.097 0.000 1.035 996 N HN 0.580 nan 8.380 nan 0.000 0.481 997 T N -6.002 108.518 114.554 -0.057 0.000 3.040 997 T HA 0.476 4.825 4.350 -0.001 0.000 0.250 997 T C 1.161 175.841 174.700 -0.034 0.000 1.058 997 T CA 0.244 62.311 62.100 -0.055 0.000 0.988 997 T CB 0.779 69.607 68.868 -0.068 0.000 0.993 997 T HN 0.314 nan 8.240 nan 0.000 0.519 998 G N 0.355 109.143 108.800 -0.020 0.000 3.268 998 G HA2 0.350 4.310 3.960 -0.001 0.000 0.220 998 G HA3 0.350 4.310 3.960 -0.001 0.000 0.220 998 G C 0.719 175.593 174.900 -0.044 0.000 0.942 998 G CA -0.103 44.972 45.100 -0.042 0.000 0.918 998 G HN 1.205 nan 8.290 nan 0.000 0.658 999 G N -0.249 108.546 108.800 -0.009 0.000 2.295 999 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.287 999 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.287 999 G C 0.225 175.097 174.900 -0.046 0.000 1.055 999 G CA 0.870 45.956 45.100 -0.022 0.000 0.922 999 G HN 0.894 nan 8.290 nan 0.000 0.503 1000 Q N 0.273 120.071 119.800 -0.004 0.000 2.340 1000 Q HA 0.527 4.866 4.340 -0.001 0.000 0.249 1000 Q C 0.902 176.788 176.000 -0.191 0.000 0.957 1000 Q CA 0.477 56.246 55.803 -0.056 0.000 0.882 1000 Q CB 1.200 29.942 28.738 0.006 0.000 1.235 1000 Q HN 0.618 nan 8.270 nan 0.000 0.439 1001 S N 1.367 116.968 115.700 -0.165 0.000 2.533 1001 S HA 0.310 4.780 4.470 -0.001 0.000 0.282 1001 S C 0.031 174.392 174.600 -0.398 0.000 1.304 1001 S CA -0.285 57.794 58.200 -0.202 0.000 1.063 1001 S CB 0.373 63.512 63.200 -0.101 0.000 0.881 1001 S HN 0.608 nan 8.310 nan 0.000 0.493 1002 S N 3.458 118.978 115.700 -0.301 0.000 2.747 1002 S HA 0.448 4.918 4.470 -0.001 0.000 0.300 1002 S C 0.674 175.209 174.600 -0.108 0.000 1.121 1002 S CA -0.794 57.266 58.200 -0.233 0.000 0.995 1002 S CB 1.087 64.338 63.200 0.086 0.000 1.113 1002 S HN 0.830 nan 8.310 nan 0.000 0.547 1003 K N -0.088 120.298 120.400 -0.024 0.000 2.555 1003 K HA 0.210 4.530 4.320 -0.001 0.000 0.193 1003 K C 1.500 178.031 176.600 -0.114 0.000 1.032 1003 K CA 0.780 57.053 56.287 -0.024 0.000 1.004 1003 K CB -0.423 32.106 32.500 0.050 0.000 0.804 1003 K HN 0.658 nan 8.250 nan 0.000 0.496 1004 A N -0.112 122.501 122.820 -0.345 0.000 2.169 1004 A HA 0.078 4.397 4.320 -0.001 0.000 0.210 1004 A C 0.589 178.039 177.584 -0.223 0.000 1.168 1004 A CA 0.098 51.753 52.037 -0.638 0.000 0.813 1004 A CB 0.137 18.321 19.000 -1.360 0.000 0.861 1004 A HN 0.139 nan 8.150 nan 0.000 0.481 1005 T N 3.606 118.086 114.554 -0.123 0.000 2.908 1005 T HA 0.312 4.661 4.350 -0.001 0.000 0.301 1005 T C -2.423 172.300 174.700 0.040 0.000 1.019 1005 T CA -0.359 61.724 62.100 -0.029 0.000 1.152 1005 T CB 0.644 69.477 68.868 -0.059 0.000 0.966 1005 T HN 0.190 nan 8.240 nan 0.000 0.540 1006 P HA 0.163 nan 4.420 nan 0.000 0.272 1006 P C -0.087 177.342 177.300 0.215 0.000 1.240 1006 P CA -0.508 62.736 63.100 0.240 0.000 0.791 1006 P CB 0.232 32.239 31.700 0.513 0.000 0.978 1007 T N 1.397 116.081 114.554 0.217 0.000 2.867 1007 T HA 0.326 4.676 4.350 -0.001 0.000 0.297 1007 T C 1.366 176.221 174.700 0.259 0.000 0.989 1007 T CA 1.603 63.811 62.100 0.180 0.000 1.159 1007 T CB -0.824 68.134 68.868 0.151 0.000 0.928 1007 T HN 0.814 nan 8.240 nan 0.000 0.538 1008 G N 2.568 111.472 108.800 0.174 0.000 2.162 1008 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.260 1008 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.260 1008 G C 0.267 175.259 174.900 0.154 0.000 0.976 1008 G CA -0.066 45.146 45.100 0.188 0.000 0.655 1008 G HN 1.155 nan 8.290 nan 0.000 0.533 1009 A N -0.104 122.717 122.820 0.003 0.000 2.363 1009 A HA 0.664 4.984 4.320 -0.001 0.000 0.270 1009 A C 0.532 177.922 177.584 -0.323 0.000 1.121 1009 A CA 0.160 51.879 52.037 -0.531 0.000 0.800 1009 A CB 1.068 19.784 19.000 -0.472 0.000 1.052 1009 A HN 1.129 nan 8.150 nan 0.000 0.493 1010 V N 2.634 122.330 119.914 -0.364 0.000 2.339 1010 V HA 0.520 4.640 4.120 -0.001 0.000 0.261 1010 V C 0.715 176.686 176.094 -0.206 0.000 1.058 1010 V CA 0.601 62.765 62.300 -0.227 0.000 0.897 1010 V CB -0.290 31.426 31.823 -0.179 0.000 1.052 1010 V HN 1.142 nan 8.190 nan 0.000 0.480 1011 A N 5.844 128.561 122.820 -0.172 0.000 2.475 1011 A HA 0.864 5.184 4.320 -0.001 0.000 0.281 1011 A C -0.496 176.987 177.584 -0.168 0.000 1.263 1011 A CA -0.978 50.965 52.037 -0.156 0.000 0.776 1011 A CB 1.129 20.047 19.000 -0.136 0.000 1.347 1011 A HN 0.475 nan 8.150 nan 0.000 0.443 1012 K N 0.099 120.384 120.400 -0.191 0.000 2.379 1012 K HA 0.424 4.744 4.320 -0.001 0.000 0.284 1012 K C -0.980 175.479 176.600 -0.234 0.000 1.044 1012 K CA 0.112 56.188 56.287 -0.352 0.000 0.974 1012 K CB -0.506 31.733 32.500 -0.434 0.000 0.962 1012 K HN 0.682 nan 8.250 nan 0.000 0.474 1013 F N -0.472 119.411 119.950 -0.112 0.000 2.699 1013 F HA -0.282 4.245 4.527 -0.001 0.000 0.343 1013 F C 0.609 176.351 175.800 -0.096 0.000 0.633 1013 F CA 0.912 58.855 58.000 -0.095 0.000 1.365 1013 F CB -1.956 36.982 39.000 -0.103 0.000 1.795 1013 F HN 0.614 nan 8.300 nan 0.000 0.304 1014 A N -0.831 121.982 122.820 -0.011 0.000 2.573 1014 A HA 0.805 5.125 4.320 -0.001 0.000 0.269 1014 A C 1.355 178.875 177.584 -0.108 0.000 0.901 1014 A CA 0.346 52.353 52.037 -0.049 0.000 1.066 1014 A CB -0.362 18.601 19.000 -0.061 0.000 1.221 1014 A HN 0.715 nan 8.150 nan 0.000 0.483 1015 A N -0.269 122.480 122.820 -0.118 0.000 2.139 1015 A HA 0.184 4.503 4.320 -0.001 0.000 0.221 1015 A C 1.723 179.186 177.584 -0.202 0.000 1.159 1015 A CA 1.868 53.818 52.037 -0.145 0.000 0.662 1015 A CB -0.176 18.751 19.000 -0.121 0.000 0.796 1015 A HN 1.455 nan 8.150 nan 0.000 0.463 1016 A N -1.245 121.433 122.820 -0.237 0.000 2.574 1016 A HA 0.520 4.840 4.320 -0.001 0.000 0.283 1016 A C 1.017 178.432 177.584 -0.282 0.000 1.270 1016 A CA 0.623 52.407 52.037 -0.423 0.000 0.945 1016 A CB -0.918 17.823 19.000 -0.433 0.000 1.127 1016 A HN 2.028 nan 8.150 nan 0.000 0.522 1017 G N 0.333 109.024 108.800 -0.183 0.000 3.153 1017 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.686 1017 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.686 1017 G C -0.305 174.553 174.900 -0.070 0.000 0.995 1017 G CA -0.158 44.874 45.100 -0.113 0.000 0.783 1017 G HN 0.789 nan 8.290 nan 0.000 0.551 1018 K N 1.459 121.830 120.400 -0.047 0.000 2.504 1018 K HA 0.098 4.418 4.320 -0.001 0.000 0.278 1018 K C 0.892 177.497 176.600 0.009 0.000 1.025 1018 K CA 0.267 56.543 56.287 -0.018 0.000 1.093 1018 K CB 0.252 32.748 32.500 -0.007 0.000 0.873 1018 K HN 0.406 nan 8.250 nan 0.000 0.483 1019 R N 3.511 124.013 120.500 0.003 0.000 3.179 1019 R HA 0.123 4.462 4.340 -0.001 0.000 0.317 1019 R C -0.642 175.672 176.300 0.023 0.000 1.331 1019 R CA -0.094 56.015 56.100 0.015 0.000 1.184 1019 R CB -0.304 29.999 30.300 0.005 0.000 1.408 1019 R HN 0.836 nan 8.270 nan 0.000 0.598 1020 T N -4.184 110.388 114.554 0.029 0.000 2.886 1020 T HA 0.488 4.837 4.350 -0.001 0.000 0.330 1020 T C 0.296 175.020 174.700 0.040 0.000 1.488 1020 T CA -0.804 61.313 62.100 0.029 0.000 1.054 1020 T CB 2.099 70.976 68.868 0.015 0.000 1.348 1020 T HN 0.140 nan 8.240 nan 0.000 0.489 1021 G N 0.626 109.449 108.800 0.038 0.000 2.667 1021 G HA2 0.443 4.403 3.960 -0.001 0.000 0.250 1021 G HA3 0.443 4.403 3.960 -0.001 0.000 0.250 1021 G C -0.248 174.673 174.900 0.036 0.000 1.212 1021 G CA -0.777 44.349 45.100 0.044 0.000 0.874 1021 G HN 0.973 nan 8.290 nan 0.000 0.561 1022 K N -0.034 120.392 120.400 0.043 0.000 2.355 1022 K HA 0.099 4.418 4.320 -0.001 0.000 0.270 1022 K C 0.512 177.140 176.600 0.048 0.000 1.003 1022 K CA -0.302 56.009 56.287 0.039 0.000 0.957 1022 K CB 0.430 32.960 32.500 0.050 0.000 0.939 1022 K HN 0.444 nan 8.250 nan 0.000 0.482 1023 K N 3.196 123.645 120.400 0.081 0.000 2.379 1023 K HA -0.045 4.274 4.320 -0.001 0.000 0.284 1023 K C -0.628 176.056 176.600 0.140 0.000 1.044 1023 K CA -0.224 56.120 56.287 0.096 0.000 0.974 1023 K CB 0.622 33.214 32.500 0.153 0.000 0.962 1023 K HN 0.487 nan 8.250 nan 0.000 0.474 1024 D N 5.679 126.092 120.400 0.022 0.000 2.517 1024 D HA 0.007 4.647 4.640 -0.001 0.000 0.220 1024 D C 0.867 177.124 176.300 -0.071 0.000 1.158 1024 D CA -0.226 53.771 54.000 -0.006 0.000 0.992 1024 D CB 0.449 41.220 40.800 -0.047 0.000 1.058 1024 D HN 0.524 nan 8.370 nan 0.000 0.516 1025 L N 3.929 125.080 121.223 -0.120 0.000 2.056 1025 L HA -0.022 4.318 4.340 -0.001 0.000 0.207 1025 L C 2.063 178.862 176.870 -0.119 0.000 1.078 1025 L CA 1.944 56.629 54.840 -0.259 0.000 0.749 1025 L CB -0.649 41.043 42.059 -0.611 0.000 0.901 1025 L HN 0.329 nan 8.230 nan 0.000 0.433 1026 A N -0.234 122.558 122.820 -0.047 0.000 1.865 1026 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 1026 A C 2.416 179.979 177.584 -0.034 0.000 1.191 1026 A CA 1.906 53.968 52.037 0.042 0.000 0.623 1026 A CB -0.582 18.564 19.000 0.242 0.000 0.826 1026 A HN 0.489 nan 8.150 nan 0.000 0.444 1027 R N -1.346 119.104 120.500 -0.084 0.000 2.148 1027 R HA 0.023 4.363 4.340 -0.001 0.000 0.227 1027 R C 2.205 178.402 176.300 -0.171 0.000 1.103 1027 R CA 1.271 57.267 56.100 -0.173 0.000 0.983 1027 R CB -0.360 29.820 30.300 -0.200 0.000 0.874 1027 R HN 0.570 nan 8.270 nan 0.000 0.451 1028 M N 0.198 119.720 119.600 -0.130 0.000 2.132 1028 M HA -0.133 4.347 4.480 -0.001 0.000 0.263 1028 M C 2.338 178.554 176.300 -0.140 0.000 1.065 1028 M CA 1.493 56.718 55.300 -0.125 0.000 1.122 1028 M CB -0.060 32.493 32.600 -0.077 0.000 1.365 1028 M HN 0.104 nan 8.290 nan 0.000 0.411 1029 V N -1.563 118.300 119.914 -0.084 0.000 3.235 1029 V HA -0.046 4.074 4.120 -0.001 0.000 0.259 1029 V C 1.720 177.733 176.094 -0.135 0.000 1.133 1029 V CA 0.900 63.183 62.300 -0.028 0.000 1.128 1029 V CB -0.419 31.449 31.823 0.075 0.000 0.757 1029 V HN 0.437 nan 8.190 nan 0.000 0.469 1030 M N 1.691 121.144 119.600 -0.245 0.000 2.549 1030 M HA -0.086 4.394 4.480 -0.001 0.000 0.260 1030 M C 2.079 178.089 176.300 -0.485 0.000 1.076 1030 M CA 1.868 56.888 55.300 -0.466 0.000 1.090 1030 M CB -0.474 31.846 32.600 -0.466 0.000 1.418 1030 M HN 0.772 nan 8.290 nan 0.000 0.486 1031 T N -2.725 111.603 114.554 -0.376 0.000 2.995 1031 T HA -0.129 4.221 4.350 -0.001 0.000 0.269 1031 T C 1.420 175.903 174.700 -0.362 0.000 1.091 1031 T CA 0.797 62.681 62.100 -0.360 0.000 1.128 1031 T CB -0.488 68.162 68.868 -0.364 0.000 0.891 1031 T HN 0.271 nan 8.240 nan 0.000 0.492 1032 Y N 2.483 122.569 120.300 -0.358 0.000 2.097 1032 Y HA 0.179 4.729 4.550 -0.001 0.000 0.282 1032 Y C 2.662 178.309 175.900 -0.420 0.000 1.152 1032 Y CA 1.108 58.912 58.100 -0.494 0.000 1.136 1032 Y CB -0.917 37.077 38.460 -0.776 0.000 0.975 1032 Y HN 0.467 nan 8.280 nan 0.000 0.498 1033 G N -1.750 106.918 108.800 -0.220 0.000 2.254 1033 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.225 1033 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.225 1033 G C 0.643 175.629 174.900 0.144 0.000 1.003 1033 G CA 0.372 45.456 45.100 -0.026 0.000 0.622 1033 G HN 0.551 nan 8.290 nan 0.000 0.507 1034 Y N -0.051 120.349 120.300 0.166 0.000 2.636 1034 Y HA 0.767 5.316 4.550 -0.001 0.000 0.260 1034 Y C 0.197 176.188 175.900 0.153 0.000 1.177 1034 Y CA -1.109 57.114 58.100 0.205 0.000 1.209 1034 Y CB 0.013 38.721 38.460 0.412 0.000 1.166 1034 Y HN 0.203 nan 8.280 nan 0.000 0.531 1035 V N 2.059 121.977 119.914 0.007 0.000 2.409 1035 V HA 0.162 4.282 4.120 -0.001 0.000 0.291 1035 V C -0.877 175.130 176.094 -0.145 0.000 1.020 1035 V CA -1.226 61.093 62.300 0.032 0.000 0.848 1035 V CB 0.893 32.689 31.823 -0.046 0.000 0.990 1035 V HN 0.299 nan 8.190 nan 0.000 0.430 1036 Y N 5.850 125.910 120.300 -0.400 0.000 2.569 1036 Y HA 0.403 4.953 4.550 -0.001 0.000 0.332 1036 Y C -0.209 175.635 175.900 -0.093 0.000 1.120 1036 Y CA 0.301 58.146 58.100 -0.426 0.000 1.416 1036 Y CB 0.732 38.893 38.460 -0.499 0.000 1.210 1036 Y HN 0.391 nan 8.280 nan 0.000 0.528 1037 V N 6.036 125.768 119.914 -0.303 0.000 2.577 1037 V HA 0.871 4.990 4.120 -0.001 0.000 0.303 1037 V C -0.517 175.532 176.094 -0.075 0.000 1.042 1037 V CA -0.439 61.831 62.300 -0.049 0.000 0.872 1037 V CB 1.040 32.857 31.823 -0.009 0.000 0.998 1037 V HN 0.970 nan 8.190 nan 0.000 0.423 1038 A N 3.140 126.017 122.820 0.096 0.000 2.587 1038 A HA 0.998 5.317 4.320 -0.001 0.000 0.293 1038 A C -0.334 177.255 177.584 0.009 0.000 1.087 1038 A CA -0.296 51.780 52.037 0.065 0.000 0.692 1038 A CB 2.292 21.425 19.000 0.223 0.000 1.291 1038 A HN 0.983 nan 8.150 nan 0.000 0.407 1039 T N -1.521 112.890 114.554 -0.239 0.000 2.924 1039 T HA 0.867 5.217 4.350 -0.001 0.000 0.291 1039 T C -0.157 174.576 174.700 0.055 0.000 1.045 1039 T CA -0.058 61.909 62.100 -0.221 0.000 1.015 1039 T CB 1.060 69.457 68.868 -0.786 0.000 1.103 1039 T HN 2.208 nan 8.240 nan 0.000 0.496 1040 V N -2.287 117.824 119.914 0.329 0.000 3.202 1040 V HA 0.978 5.097 4.120 -0.001 0.000 0.306 1040 V C -0.851 175.546 176.094 0.505 0.000 1.283 1040 V CA -0.805 61.747 62.300 0.419 0.000 1.065 1040 V CB 1.485 33.605 31.823 0.496 0.000 1.079 1040 V HN 1.243 nan 8.190 nan 0.000 0.448 1041 S N 0.650 116.592 115.700 0.403 0.000 2.626 1041 S HA 0.423 4.892 4.470 -0.001 0.000 0.275 1041 S C 0.073 174.843 174.600 0.282 0.000 1.175 1041 S CA 0.050 58.438 58.200 0.313 0.000 0.982 1041 S CB 1.660 64.995 63.200 0.226 0.000 1.093 1041 S HN 1.155 nan 8.310 nan 0.000 0.472 1042 M N 4.703 124.412 119.600 0.181 0.000 2.077 1042 M HA 0.132 4.612 4.480 -0.001 0.000 0.261 1042 M C 1.957 178.326 176.300 0.113 0.000 1.070 1042 M CA 2.607 57.925 55.300 0.031 0.000 1.125 1042 M CB -0.829 31.578 32.600 -0.323 0.000 1.339 1042 M HN 0.814 nan 8.290 nan 0.000 0.409 1043 G N -1.038 107.828 108.800 0.109 0.000 2.485 1043 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.221 1043 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.221 1043 G C 1.192 176.193 174.900 0.168 0.000 1.115 1043 G CA 1.252 46.422 45.100 0.116 0.000 0.751 1043 G HN 0.607 nan 8.290 nan 0.000 0.567 1044 Y N 0.598 120.937 120.300 0.063 0.000 2.190 1044 Y HA 0.398 4.947 4.550 -0.001 0.000 0.290 1044 Y C 1.110 177.053 175.900 0.073 0.000 1.115 1044 Y CA 0.974 59.112 58.100 0.065 0.000 1.107 1044 Y CB 0.223 38.733 38.460 0.083 0.000 1.033 1044 Y HN 0.110 nan 8.280 nan 0.000 0.502 1045 S N 0.070 115.854 115.700 0.141 0.000 2.733 1045 S HA 0.330 4.800 4.470 -0.001 0.000 0.294 1045 S C -0.079 174.623 174.600 0.169 0.000 1.149 1045 S CA -0.750 57.460 58.200 0.017 0.000 1.034 1045 S CB 1.074 64.263 63.200 -0.018 0.000 1.015 1045 S HN 0.377 nan 8.310 nan 0.000 0.486 1046 K N 2.627 123.077 120.400 0.083 0.000 2.314 1046 K HA 0.016 4.335 4.320 -0.001 0.000 0.198 1046 K C 1.408 178.091 176.600 0.139 0.000 1.045 1046 K CA 0.639 57.016 56.287 0.150 0.000 0.988 1046 K CB 0.116 32.428 32.500 -0.315 0.000 0.783 1046 K HN 0.464 nan 8.250 nan 0.000 0.484 1047 Q N 0.857 120.683 119.800 0.044 0.000 2.083 1047 Q HA -0.099 4.240 4.340 -0.001 0.000 0.198 1047 Q C 2.038 178.114 176.000 0.125 0.000 0.969 1047 Q CA 1.094 56.920 55.803 0.039 0.000 0.838 1047 Q CB -0.085 28.647 28.738 -0.009 0.000 0.900 1047 Q HN 0.171 nan 8.270 nan 0.000 0.436 1048 Q N -0.514 119.390 119.800 0.172 0.000 2.230 1048 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 1048 Q C 1.620 177.828 176.000 0.347 0.000 0.963 1048 Q CA 0.781 56.719 55.803 0.226 0.000 0.866 1048 Q CB -0.025 28.852 28.738 0.232 0.000 0.931 1048 Q HN 0.390 nan 8.270 nan 0.000 0.452 1049 F N 1.101 121.192 119.950 0.236 0.000 2.098 1049 F HA -0.106 4.420 4.527 -0.001 0.000 0.294 1049 F C 1.887 177.849 175.800 0.270 0.000 1.107 1049 F CA 1.083 59.270 58.000 0.310 0.000 1.234 1049 F CB -0.648 38.578 39.000 0.377 0.000 1.002 1049 F HN 0.013 nan 8.300 nan 0.000 0.472 1050 L N 0.289 121.582 121.223 0.115 0.000 2.131 1050 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 1050 L C 2.545 179.433 176.870 0.029 0.000 1.092 1050 L CA 1.611 56.425 54.840 -0.044 0.000 0.759 1050 L CB -0.747 41.331 42.059 0.032 0.000 0.903 1050 L HN 0.148 nan 8.230 nan 0.000 0.435 1051 K N -0.119 120.346 120.400 0.109 0.000 2.217 1051 K HA -0.091 4.229 4.320 -0.001 0.000 0.202 1051 K C 1.907 178.607 176.600 0.167 0.000 1.051 1051 K CA 0.720 57.082 56.287 0.124 0.000 0.952 1051 K CB 0.293 32.870 32.500 0.129 0.000 0.736 1051 K HN 0.111 nan 8.250 nan 0.000 0.453 1052 V N 1.244 121.288 119.914 0.218 0.000 2.446 1052 V HA -0.144 3.975 4.120 -0.001 0.000 0.244 1052 V C 2.166 178.401 176.094 0.235 0.000 1.039 1052 V CA 0.935 63.413 62.300 0.297 0.000 1.045 1052 V CB -0.124 31.951 31.823 0.421 0.000 0.681 1052 V HN 0.285 nan 8.190 nan 0.000 0.459 1053 L N 0.013 121.333 121.223 0.162 0.000 1.989 1053 L HA -0.206 4.134 4.340 -0.001 0.000 0.211 1053 L C 2.712 179.808 176.870 0.377 0.000 1.071 1053 L CA 1.813 56.806 54.840 0.255 0.000 0.749 1053 L CB -0.690 41.342 42.059 -0.046 0.000 0.890 1053 L HN 0.278 nan 8.230 nan 0.000 0.431 1054 K N 0.641 121.171 120.400 0.217 0.000 2.063 1054 K HA -0.212 4.108 4.320 -0.001 0.000 0.208 1054 K C 1.847 178.530 176.600 0.138 0.000 1.048 1054 K CA 1.733 58.152 56.287 0.219 0.000 0.928 1054 K CB -0.036 32.536 32.500 0.120 0.000 0.713 1054 K HN 0.418 nan 8.250 nan 0.000 0.442 1055 E N -0.313 119.920 120.200 0.055 0.000 2.107 1055 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 1055 E C 1.960 178.282 176.600 -0.464 0.000 0.982 1055 E CA 0.874 57.216 56.400 -0.096 0.000 0.809 1055 E CB -0.035 29.670 29.700 0.008 0.000 0.756 1055 E HN 0.379 nan 8.360 nan 0.000 0.459 1056 A N 1.556 124.062 122.820 -0.522 0.000 1.873 1056 A HA -0.184 4.135 4.320 -0.001 0.000 0.215 1056 A C 2.125 179.547 177.584 -0.271 0.000 1.186 1056 A CA 1.094 52.763 52.037 -0.614 0.000 0.616 1056 A CB -0.301 18.608 19.000 -0.151 0.000 0.823 1056 A HN 0.067 nan 8.150 nan 0.000 0.442 1057 E N 0.650 120.767 120.200 -0.138 0.000 2.153 1057 E HA -0.142 4.208 4.350 -0.001 0.000 0.194 1057 E C 2.219 178.724 176.600 -0.159 0.000 0.988 1057 E CA 1.565 57.811 56.400 -0.256 0.000 0.811 1057 E CB -0.152 29.314 29.700 -0.390 0.000 0.746 1057 E HN 0.690 nan 8.360 nan 0.000 0.466 1058 S N -0.513 115.156 115.700 -0.052 0.000 2.501 1058 S HA -0.016 4.454 4.470 -0.001 0.000 0.220 1058 S C 0.773 175.391 174.600 0.030 0.000 0.997 1058 S CA -0.517 57.682 58.200 -0.001 0.000 0.919 1058 S CB -0.412 62.819 63.200 0.052 0.000 0.778 1058 S HN 0.176 nan 8.310 nan 0.000 0.523 1059 F N 6.204 126.080 119.950 -0.124 0.000 2.533 1059 F HA 0.349 4.875 4.527 -0.001 0.000 0.378 1059 F C -2.381 173.406 175.800 -0.021 0.000 1.070 1059 F CA -3.099 54.868 58.000 -0.055 0.000 1.172 1059 F CB 0.529 39.486 39.000 -0.072 0.000 1.085 1059 F HN 0.016 nan 8.300 nan 0.000 0.552 1060 P HA 0.269 nan 4.420 nan 0.000 0.252 1060 P C -0.026 176.867 177.300 -0.678 0.000 1.694 1060 P CA 0.544 63.390 63.100 -0.423 0.000 1.163 1060 P CB -0.149 31.413 31.700 -0.230 0.000 1.934 1061 G N 3.151 111.625 108.800 -0.543 0.000 2.343 1061 G HA2 0.186 4.146 3.960 -0.001 0.000 0.289 1061 G HA3 0.186 4.146 3.960 -0.001 0.000 0.289 1061 G C -3.594 171.350 174.900 0.073 0.000 1.295 1061 G CA -0.911 44.014 45.100 -0.293 0.000 0.869 1061 G HN -0.016 nan 8.290 nan 0.000 0.522 1062 P HA 0.432 nan 4.420 nan 0.000 0.269 1062 P C -0.591 176.912 177.300 0.338 0.000 1.215 1062 P CA 0.150 63.391 63.100 0.236 0.000 0.780 1062 P CB 1.107 32.929 31.700 0.204 0.000 0.898 1063 S N 1.527 117.350 115.700 0.204 0.000 2.572 1063 S HA 0.480 4.949 4.470 -0.001 0.000 0.274 1063 S C -1.169 173.566 174.600 0.226 0.000 1.150 1063 S CA -0.705 57.642 58.200 0.245 0.000 0.944 1063 S CB 0.888 64.153 63.200 0.108 0.000 1.071 1063 S HN 0.331 nan 8.310 nan 0.000 0.479 1064 L N 3.312 124.699 121.223 0.274 0.000 2.322 1064 L HA 0.766 5.105 4.340 -0.001 0.000 0.281 1064 L C -1.539 175.521 176.870 0.317 0.000 1.014 1064 L CA -0.721 54.267 54.840 0.247 0.000 0.815 1064 L CB 1.490 43.642 42.059 0.155 0.000 1.247 1064 L HN 0.531 nan 8.230 nan 0.000 0.421 1065 V N 6.275 126.404 119.914 0.358 0.000 2.488 1065 V HA 0.410 4.529 4.120 -0.001 0.000 0.293 1065 V C -0.100 176.100 176.094 0.176 0.000 1.027 1065 V CA -0.383 62.160 62.300 0.406 0.000 0.862 1065 V CB 1.806 34.082 31.823 0.755 0.000 1.008 1065 V HN 0.529 nan 8.190 nan 0.000 0.428 1066 I N 4.067 124.712 120.570 0.125 0.000 2.354 1066 I HA 0.806 4.975 4.170 -0.001 0.000 0.292 1066 I C 0.340 176.555 176.117 0.164 0.000 0.989 1066 I CA -0.488 60.863 61.300 0.085 0.000 1.188 1066 I CB 1.779 39.868 38.000 0.149 0.000 1.342 1066 I HN 0.629 nan 8.210 nan 0.000 0.457 1067 A N 5.704 128.479 122.820 -0.075 0.000 2.355 1067 A HA 0.485 4.805 4.320 -0.001 0.000 0.317 1067 A C -1.171 176.287 177.584 -0.209 0.000 1.094 1067 A CA -0.495 51.438 52.037 -0.174 0.000 0.764 1067 A CB 0.896 19.318 19.000 -0.963 0.000 1.230 1067 A HN 0.640 nan 8.150 nan 0.000 0.448 1068 Y N 2.240 122.250 120.300 -0.484 0.000 2.496 1068 Y HA 0.385 4.935 4.550 -0.001 0.000 0.334 1068 Y C 0.381 176.102 175.900 -0.299 0.000 1.080 1068 Y CA 0.532 58.096 58.100 -0.893 0.000 1.355 1068 Y CB 0.334 37.984 38.460 -1.349 0.000 1.193 1068 Y HN 0.838 nan 8.280 nan 0.000 0.523 1069 A N 5.144 127.621 122.820 -0.572 0.000 2.343 1069 A HA 0.582 4.902 4.320 -0.001 0.000 0.316 1069 A C -0.092 177.270 177.584 -0.370 0.000 1.104 1069 A CA -0.322 51.569 52.037 -0.243 0.000 0.768 1069 A CB 0.454 19.385 19.000 -0.115 0.000 1.213 1069 A HN 0.785 nan 8.150 nan 0.000 0.456 1070 T N -1.424 113.028 114.554 -0.171 0.000 2.816 1070 T HA 0.589 4.938 4.350 -0.001 0.000 0.282 1070 T C 0.089 174.738 174.700 -0.085 0.000 0.993 1070 T CA -0.513 61.505 62.100 -0.136 0.000 0.994 1070 T CB 1.152 70.009 68.868 -0.019 0.000 1.025 1070 T HN 1.452 nan 8.240 nan 0.000 0.529 1071 C N 0.964 120.227 119.300 -0.061 0.000 3.307 1071 C HA 0.480 4.940 4.460 -0.001 0.000 0.333 1071 C C 1.684 176.661 174.990 -0.022 0.000 1.291 1071 C CA -0.719 58.280 59.018 -0.032 0.000 1.273 1071 C CB 0.203 27.920 27.740 -0.038 0.000 1.580 1071 C HN 1.075 nan 8.230 nan 0.000 0.481 1072 I N 0.927 121.492 120.570 -0.008 0.000 2.315 1072 I HA -0.084 4.086 4.170 -0.001 0.000 0.248 1072 I C 1.596 177.698 176.117 -0.024 0.000 1.117 1072 I CA 2.098 63.392 61.300 -0.009 0.000 1.404 1072 I CB -0.632 37.369 38.000 0.002 0.000 1.071 1072 I HN 0.759 nan 8.210 nan 0.000 0.419 1073 N N 1.518 120.201 118.700 -0.028 0.000 2.289 1073 N HA -0.202 4.538 4.740 -0.001 0.000 0.184 1073 N C 1.828 177.299 175.510 -0.065 0.000 1.016 1073 N CA 1.416 54.438 53.050 -0.045 0.000 0.872 1073 N CB -0.179 38.284 38.487 -0.040 0.000 0.973 1073 N HN 0.650 nan 8.380 nan 0.000 0.433 1074 Q N 0.283 120.047 119.800 -0.061 0.000 2.297 1074 Q HA 0.055 4.394 4.340 -0.001 0.000 0.204 1074 Q C 0.723 176.685 176.000 -0.063 0.000 0.962 1074 Q CA 0.727 56.488 55.803 -0.070 0.000 0.879 1074 Q CB 0.022 28.732 28.738 -0.046 0.000 0.947 1074 Q HN 0.230 nan 8.270 nan 0.000 0.462 1075 G N 2.316 111.087 108.800 -0.048 0.000 2.385 1075 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.294 1075 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.294 1075 G C -0.319 174.562 174.900 -0.032 0.000 1.070 1075 G CA -0.189 44.888 45.100 -0.039 0.000 1.172 1075 G HN 0.307 nan 8.290 nan 0.000 0.516 1076 L N 1.202 122.411 121.223 -0.024 0.000 2.485 1076 L HA 0.185 4.524 4.340 -0.001 0.000 0.279 1076 L C 2.111 178.971 176.870 -0.016 0.000 1.124 1076 L CA -0.200 54.627 54.840 -0.022 0.000 0.888 1076 L CB 0.378 42.433 42.059 -0.006 0.000 1.217 1076 L HN 0.585 nan 8.230 nan 0.000 0.464 1077 R N 3.461 123.949 120.500 -0.020 0.000 2.134 1077 R HA -0.207 4.132 4.340 -0.001 0.000 0.248 1077 R C 1.460 177.757 176.300 -0.005 0.000 1.143 1077 R CA 1.981 58.074 56.100 -0.013 0.000 0.957 1077 R CB 0.107 30.398 30.300 -0.015 0.000 0.867 1077 R HN 0.557 nan 8.270 nan 0.000 0.441 1078 K N -0.627 119.771 120.400 -0.003 0.000 2.444 1078 K HA 0.162 4.482 4.320 -0.001 0.000 0.193 1078 K C 0.077 176.681 176.600 0.008 0.000 1.024 1078 K CA 0.365 56.654 56.287 0.004 0.000 1.077 1078 K CB 1.038 33.542 32.500 0.007 0.000 0.833 1078 K HN 0.496 nan 8.250 nan 0.000 0.517 1079 G N 0.380 109.184 108.800 0.006 0.000 2.440 1079 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.684 1079 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.684 1079 G C 0.001 174.908 174.900 0.013 0.000 1.309 1079 G CA -0.886 44.219 45.100 0.010 0.000 0.931 1079 G HN -0.132 nan 8.290 nan 0.000 0.612 1080 M N 1.105 120.714 119.600 0.014 0.000 2.619 1080 M HA 0.107 4.586 4.480 -0.001 0.000 0.251 1080 M C 2.445 178.757 176.300 0.019 0.000 1.106 1080 M CA 1.621 56.931 55.300 0.016 0.000 1.086 1080 M CB -0.965 31.644 32.600 0.015 0.000 1.465 1080 M HN 0.926 nan 8.290 nan 0.000 0.506 1081 G N 0.150 108.963 108.800 0.020 0.000 2.448 1081 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.218 1081 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.218 1081 G C 1.604 176.520 174.900 0.026 0.000 1.135 1081 G CA 0.355 45.468 45.100 0.022 0.000 0.784 1081 G HN 0.257 nan 8.290 nan 0.000 0.543 1082 K N 1.150 121.566 120.400 0.027 0.000 2.505 1082 K HA 0.182 4.501 4.320 -0.001 0.000 0.192 1082 K C 2.295 178.923 176.600 0.047 0.000 1.025 1082 K CA 0.164 56.471 56.287 0.034 0.000 1.086 1082 K CB 0.189 32.706 32.500 0.028 0.000 0.840 1082 K HN 0.263 nan 8.250 nan 0.000 0.514 1083 S N 1.284 117.009 115.700 0.043 0.000 2.351 1083 S HA -0.184 4.285 4.470 -0.001 0.000 0.220 1083 S C 1.768 176.412 174.600 0.074 0.000 1.035 1083 S CA 1.312 59.546 58.200 0.056 0.000 1.031 1083 S CB 0.138 63.355 63.200 0.029 0.000 0.928 1083 S HN 0.300 nan 8.310 nan 0.000 0.433 1084 Q N 0.594 120.425 119.800 0.051 0.000 2.077 1084 Q HA -0.187 4.153 4.340 -0.001 0.000 0.206 1084 Q C 1.949 177.994 176.000 0.076 0.000 0.989 1084 Q CA 2.054 57.891 55.803 0.056 0.000 0.853 1084 Q CB -0.989 27.771 28.738 0.038 0.000 0.907 1084 Q HN 0.715 nan 8.270 nan 0.000 0.418 1085 D N -0.249 120.191 120.400 0.068 0.000 2.158 1085 D HA -0.134 4.506 4.640 -0.001 0.000 0.197 1085 D C 1.836 178.194 176.300 0.097 0.000 0.995 1085 D CA 0.962 55.006 54.000 0.073 0.000 0.846 1085 D CB 0.154 40.989 40.800 0.058 0.000 0.941 1085 D HN 0.016 nan 8.370 nan 0.000 0.456 1086 V N 0.159 120.142 119.914 0.116 0.000 2.379 1086 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 1086 V C 2.406 178.607 176.094 0.177 0.000 1.044 1086 V CA 1.601 64.007 62.300 0.176 0.000 1.036 1086 V CB -0.376 31.551 31.823 0.174 0.000 0.664 1086 V HN 0.350 nan 8.190 nan 0.000 0.453 1087 M N -0.121 119.573 119.600 0.157 0.000 2.108 1087 M HA -0.230 4.250 4.480 -0.001 0.000 0.261 1087 M C 2.147 178.444 176.300 -0.005 0.000 1.066 1087 M CA 2.246 57.598 55.300 0.087 0.000 1.107 1087 M CB -0.923 31.778 32.600 0.169 0.000 1.356 1087 M HN 0.466 nan 8.290 nan 0.000 0.406 1088 N N -0.261 118.490 118.700 0.085 0.000 2.166 1088 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 1088 N C 1.330 176.863 175.510 0.039 0.000 1.019 1088 N CA 1.571 54.701 53.050 0.134 0.000 0.856 1088 N CB 0.164 38.738 38.487 0.144 0.000 0.993 1088 N HN 0.260 nan 8.380 nan 0.000 0.426 1089 T N 0.001 114.558 114.554 0.004 0.000 2.951 1089 T HA 0.057 4.406 4.350 -0.001 0.000 0.268 1089 T C 1.795 176.248 174.700 -0.412 0.000 1.073 1089 T CA 0.807 62.861 62.100 -0.076 0.000 1.134 1089 T CB -0.158 68.771 68.868 0.102 0.000 0.884 1089 T HN 0.388 nan 8.240 nan 0.000 0.479 1090 A N 0.826 123.351 122.820 -0.492 0.000 2.019 1090 A HA -0.004 4.315 4.320 -0.001 0.000 0.219 1090 A C 2.398 179.737 177.584 -0.408 0.000 1.164 1090 A CA 1.142 52.694 52.037 -0.808 0.000 0.644 1090 A CB -0.551 17.933 19.000 -0.859 0.000 0.805 1090 A HN 0.400 nan 8.150 nan 0.000 0.449 1091 V N -0.410 119.307 119.914 -0.327 0.000 2.685 1091 V HA -0.110 4.009 4.120 -0.001 0.000 0.244 1091 V C 2.246 178.121 176.094 -0.365 0.000 1.054 1091 V CA 1.601 63.678 62.300 -0.372 0.000 1.076 1091 V CB -0.491 30.832 31.823 -0.833 0.000 0.725 1091 V HN 0.457 nan 8.190 nan 0.000 0.467 1092 K N 1.504 121.738 120.400 -0.277 0.000 2.002 1092 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 1092 K C 2.400 178.893 176.600 -0.179 0.000 1.048 1092 K CA 1.847 58.044 56.287 -0.150 0.000 0.930 1092 K CB -0.538 31.940 32.500 -0.037 0.000 0.714 1092 K HN 0.593 nan 8.250 nan 0.000 0.438 1093 S N -0.174 115.384 115.700 -0.236 0.000 2.440 1093 S HA -0.127 4.342 4.470 -0.001 0.000 0.240 1093 S C 1.628 176.123 174.600 -0.175 0.000 1.014 1093 S CA 1.306 59.369 58.200 -0.228 0.000 0.980 1093 S CB -0.512 62.450 63.200 -0.398 0.000 0.775 1093 S HN 0.561 nan 8.310 nan 0.000 0.499 1094 G N -0.177 108.521 108.800 -0.169 0.000 2.195 1094 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.246 1094 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.246 1094 G C 0.403 175.305 174.900 0.003 0.000 0.984 1094 G CA 0.436 45.469 45.100 -0.113 0.000 0.633 1094 G HN 0.583 nan 8.290 nan 0.000 0.525 1095 Y N -0.232 119.961 120.300 -0.180 0.000 2.165 1095 Y HA 0.119 4.668 4.550 -0.001 0.000 0.286 1095 Y C 1.235 177.185 175.900 0.083 0.000 1.155 1095 Y CA 2.150 60.189 58.100 -0.102 0.000 1.164 1095 Y CB 0.184 38.431 38.460 -0.355 0.000 0.978 1095 Y HN 0.385 nan 8.280 nan 0.000 0.513 1096 W N 3.967 125.177 121.300 -0.150 0.000 2.533 1096 W HA 0.313 4.973 4.660 -0.000 0.000 0.291 1096 W C -3.162 173.293 176.519 -0.106 0.000 1.013 1096 W CA -2.181 55.075 57.345 -0.148 0.000 1.436 1096 W CB 1.327 30.692 29.460 -0.159 0.000 1.291 1096 W HN -0.070 nan 8.180 nan 0.000 0.396 1097 P HA 0.300 nan 4.420 nan 0.000 0.286 1097 P C -0.680 176.493 177.300 -0.212 0.000 1.261 1097 P CA -0.192 62.916 63.100 0.014 0.000 0.821 1097 P CB 2.092 33.954 31.700 0.270 0.000 1.013 1098 L N 4.088 125.255 121.223 -0.093 0.000 2.264 1098 L HA 0.504 4.844 4.340 -0.001 0.000 0.289 1098 L C 0.228 177.034 176.870 -0.106 0.000 1.044 1098 L CA -0.563 54.170 54.840 -0.178 0.000 0.807 1098 L CB -0.077 42.018 42.059 0.060 0.000 1.192 1098 L HN 0.423 nan 8.230 nan 0.000 0.425 1099 F N 1.095 120.978 119.950 -0.111 0.000 2.726 1099 F HA 0.835 5.361 4.527 -0.001 0.000 0.324 1099 F C -0.680 174.959 175.800 -0.268 0.000 1.140 1099 F CA -1.413 56.412 58.000 -0.292 0.000 0.964 1099 F CB 1.618 40.351 39.000 -0.445 0.000 1.399 1099 F HN 0.183 nan 8.300 nan 0.000 0.491 1100 R N 0.141 120.558 120.500 -0.139 0.000 2.535 1100 R HA 0.343 4.683 4.340 -0.001 0.000 0.274 1100 R C -2.525 173.562 176.300 -0.356 0.000 1.090 1100 R CA -0.833 55.142 56.100 -0.207 0.000 0.930 1100 R CB 2.455 32.654 30.300 -0.169 0.000 1.223 1100 R HN 0.823 nan 8.270 nan 0.000 0.441 1101 Y N 2.477 122.495 120.300 -0.470 0.000 2.376 1101 Y HA 0.291 4.841 4.550 -0.001 0.000 0.326 1101 Y C -1.246 174.268 175.900 -0.643 0.000 0.970 1101 Y CA -1.109 56.762 58.100 -0.383 0.000 1.248 1101 Y CB 1.110 39.463 38.460 -0.178 0.000 1.117 1101 Y HN 0.484 nan 8.280 nan 0.000 0.476 1102 D N 8.251 128.299 120.400 -0.587 0.000 2.454 1102 D HA 0.388 5.028 4.640 -0.001 0.000 0.247 1102 D C -2.281 173.796 176.300 -0.372 0.000 1.129 1102 D CA -2.681 51.053 54.000 -0.444 0.000 0.877 1102 D CB 2.198 42.904 40.800 -0.158 0.000 1.082 1102 D HN 0.265 nan 8.370 nan 0.000 0.537 1103 P HA -0.174 nan 4.420 nan 0.000 0.220 1103 P C 1.216 178.499 177.300 -0.029 0.000 1.144 1103 P CA 0.922 63.874 63.100 -0.246 0.000 0.800 1103 P CB 0.090 31.467 31.700 -0.539 0.000 0.772 1104 R N -0.586 119.947 120.500 0.055 0.000 2.189 1104 R HA -0.019 4.321 4.340 -0.001 0.000 0.223 1104 R C 1.860 178.245 176.300 0.143 0.000 1.092 1104 R CA 1.020 57.277 56.100 0.261 0.000 0.989 1104 R CB -1.571 28.921 30.300 0.319 0.000 0.876 1104 R HN 0.267 nan 8.270 nan 0.000 0.457 1105 L N 0.973 122.200 121.223 0.006 0.000 2.056 1105 L HA -0.013 4.326 4.340 -0.001 0.000 0.207 1105 L C 2.691 179.531 176.870 -0.050 0.000 1.078 1105 L CA 1.549 56.354 54.840 -0.059 0.000 0.749 1105 L CB -0.909 41.038 42.059 -0.186 0.000 0.901 1105 L HN 0.259 nan 8.230 nan 0.000 0.433 1106 A N 0.168 122.953 122.820 -0.059 0.000 1.972 1106 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 1106 A C 2.527 180.249 177.584 0.230 0.000 1.169 1106 A CA 1.571 53.651 52.037 0.073 0.000 0.635 1106 A CB -0.446 18.651 19.000 0.161 0.000 0.810 1106 A HN 0.412 nan 8.150 nan 0.000 0.446 1107 A N 0.187 123.154 122.820 0.246 0.000 1.933 1107 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 1107 A C 1.942 179.626 177.584 0.167 0.000 1.175 1107 A CA 1.465 53.649 52.037 0.245 0.000 0.628 1107 A CB -0.454 18.728 19.000 0.303 0.000 0.814 1107 A HN 0.702 nan 8.150 nan 0.000 0.444 1108 Q N -1.183 118.699 119.800 0.136 0.000 2.282 1108 Q HA 0.308 4.648 4.340 -0.001 0.000 0.205 1108 Q C 0.968 177.037 176.000 0.115 0.000 0.915 1108 Q CA 0.571 56.437 55.803 0.105 0.000 0.949 1108 Q CB -0.238 28.547 28.738 0.078 0.000 1.035 1108 Q HN 0.990 nan 8.270 nan 0.000 0.484 1109 G N 1.368 110.271 108.800 0.172 0.000 2.184 1109 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.264 1109 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.264 1109 G C 0.014 175.081 174.900 0.278 0.000 0.975 1109 G CA 0.480 45.725 45.100 0.241 0.000 0.642 1109 G HN 0.322 nan 8.290 nan 0.000 0.536 1110 K N 0.606 121.061 120.400 0.091 0.000 2.098 1110 K HA 0.418 4.738 4.320 -0.001 0.000 0.258 1110 K C 0.463 176.771 176.600 -0.488 0.000 0.973 1110 K CA -0.736 55.511 56.287 -0.066 0.000 0.898 1110 K CB 0.641 33.095 32.500 -0.076 0.000 1.057 1110 K HN 0.198 nan 8.250 nan 0.000 0.447 1111 N N 3.340 121.645 118.700 -0.658 0.000 2.468 1111 N HA -0.006 4.733 4.740 -0.001 0.000 0.265 1111 N C -1.711 173.371 175.510 -0.712 0.000 1.199 1111 N CA -1.044 51.352 53.050 -1.090 0.000 0.928 1111 N CB 0.820 39.004 38.487 -0.506 0.000 1.059 1111 N HN 0.338 nan 8.380 nan 0.000 0.467 1112 P HA -0.048 nan 4.420 nan 0.000 0.236 1112 P C 0.087 176.941 177.300 -0.744 0.000 1.177 1112 P CA 0.394 63.037 63.100 -0.761 0.000 0.773 1112 P CB 0.049 31.143 31.700 -1.011 0.000 0.878 1113 F N 2.174 121.690 119.950 -0.722 0.000 2.421 1113 F HA 0.275 4.802 4.527 -0.001 0.000 0.358 1113 F C 0.099 175.729 175.800 -0.283 0.000 1.115 1113 F CA -0.230 57.494 58.000 -0.460 0.000 1.160 1113 F CB 0.574 39.377 39.000 -0.327 0.000 1.123 1113 F HN -0.183 nan 8.300 nan 0.000 0.508 1114 Q N 6.596 125.903 119.800 -0.822 0.000 2.330 1114 Q HA 0.438 4.778 4.340 -0.001 0.000 0.269 1114 Q C -1.053 174.589 176.000 -0.597 0.000 1.022 1114 Q CA -0.829 54.663 55.803 -0.518 0.000 0.796 1114 Q CB 2.852 31.417 28.738 -0.289 0.000 1.271 1114 Q HN 0.675 nan 8.270 nan 0.000 0.450 1115 L N 1.996 123.015 121.223 -0.339 0.000 2.418 1115 L HA 0.223 4.563 4.340 -0.001 0.000 0.265 1115 L C 0.106 176.955 176.870 -0.035 0.000 1.143 1115 L CA 0.205 54.950 54.840 -0.159 0.000 0.809 1115 L CB 0.839 42.854 42.059 -0.073 0.000 1.124 1115 L HN 0.786 nan 8.230 nan 0.000 0.456 1116 D N -0.381 120.053 120.400 0.056 0.000 2.502 1116 D HA 0.063 4.703 4.640 -0.001 0.000 0.232 1116 D C 0.131 176.575 176.300 0.239 0.000 1.137 1116 D CA 0.230 54.305 54.000 0.125 0.000 0.827 1116 D CB 0.969 41.846 40.800 0.128 0.000 1.141 1116 D HN 0.351 nan 8.370 nan 0.000 0.517 1117 S N 0.215 116.058 115.700 0.238 0.000 2.593 1117 S HA 0.558 5.027 4.470 -0.001 0.000 0.297 1117 S C -0.284 174.524 174.600 0.346 0.000 1.112 1117 S CA -0.564 57.791 58.200 0.260 0.000 1.043 1117 S CB 1.511 64.772 63.200 0.101 0.000 1.054 1117 S HN -0.217 nan 8.310 nan 0.000 0.516 1118 K N 1.980 122.533 120.400 0.255 0.000 2.090 1118 K HA 0.722 5.042 4.320 -0.001 0.000 0.249 1118 K C 0.304 176.836 176.600 -0.113 0.000 0.995 1118 K CA -0.447 55.962 56.287 0.203 0.000 0.914 1118 K CB 0.518 33.089 32.500 0.117 0.000 1.057 1118 K HN 0.765 nan 8.250 nan 0.000 0.462 1119 A N 1.793 124.398 122.820 -0.359 0.000 2.614 1119 A HA 0.076 4.396 4.320 -0.001 0.000 0.231 1119 A C -2.067 175.129 177.584 -0.648 0.000 1.076 1119 A CA -0.459 50.959 52.037 -1.031 0.000 0.767 1119 A CB -0.851 17.883 19.000 -0.443 0.000 1.012 1119 A HN 0.441 nan 8.150 nan 0.000 0.512 1120 P HA 0.150 nan 4.420 nan 0.000 0.269 1120 P C -0.603 176.578 177.300 -0.199 0.000 1.209 1120 P CA 0.238 63.141 63.100 -0.327 0.000 0.776 1120 P CB 0.476 32.023 31.700 -0.255 0.000 0.876 1121 D N 1.528 121.846 120.400 -0.137 0.000 2.891 1121 D HA 0.161 4.801 4.640 -0.001 0.000 0.312 1121 D C 1.113 177.379 176.300 -0.057 0.000 1.354 1121 D CA -0.633 53.317 54.000 -0.084 0.000 0.838 1121 D CB -0.786 39.975 40.800 -0.065 0.000 1.117 1121 D HN 0.555 nan 8.370 nan 0.000 0.473 1122 G N 0.478 109.245 108.800 -0.055 0.000 2.200 1122 G HA2 -0.419 3.541 3.960 -0.001 0.000 0.268 1122 G HA3 -0.419 3.541 3.960 -0.001 0.000 0.268 1122 G C 1.223 176.109 174.900 -0.022 0.000 0.986 1122 G CA 0.911 45.992 45.100 -0.031 0.000 0.677 1122 G HN 0.422 nan 8.290 nan 0.000 0.532 1123 S N -0.391 115.287 115.700 -0.036 0.000 2.428 1123 S HA -0.037 4.433 4.470 -0.001 0.000 0.230 1123 S C 2.538 177.143 174.600 0.007 0.000 1.014 1123 S CA 1.147 59.336 58.200 -0.018 0.000 0.957 1123 S CB -0.155 63.018 63.200 -0.045 0.000 0.784 1123 S HN 0.744 nan 8.310 nan 0.000 0.499 1124 V N 2.190 122.094 119.914 -0.017 0.000 2.262 1124 V HA -0.412 3.707 4.120 -0.001 0.000 0.254 1124 V C 2.386 178.510 176.094 0.051 0.000 1.050 1124 V CA 2.575 64.885 62.300 0.018 0.000 1.080 1124 V CB -1.264 30.569 31.823 0.015 0.000 0.711 1124 V HN 0.525 nan 8.190 nan 0.000 0.479 1125 E N 0.748 120.957 120.200 0.014 0.000 2.097 1125 E HA -0.272 4.077 4.350 -0.001 0.000 0.196 1125 E C 2.188 178.786 176.600 -0.004 0.000 1.000 1125 E CA 1.907 58.303 56.400 -0.007 0.000 0.804 1125 E CB -0.356 29.344 29.700 -0.001 0.000 0.740 1125 E HN 0.865 nan 8.360 nan 0.000 0.454 1126 E N -0.356 119.857 120.200 0.022 0.000 2.409 1126 E HA -0.189 4.161 4.350 -0.001 0.000 0.198 1126 E C 1.860 178.483 176.600 0.038 0.000 1.024 1126 E CA 0.722 57.135 56.400 0.022 0.000 0.861 1126 E CB -0.377 29.339 29.700 0.026 0.000 0.788 1126 E HN 0.439 nan 8.360 nan 0.000 0.521 1127 F N 1.925 121.802 119.950 -0.122 0.000 2.179 1127 F HA 0.102 4.628 4.527 -0.001 0.000 0.292 1127 F C 2.013 177.686 175.800 -0.211 0.000 1.089 1127 F CA 0.673 58.572 58.000 -0.169 0.000 1.295 1127 F CB -0.121 38.740 39.000 -0.231 0.000 1.041 1127 F HN -0.150 nan 8.300 nan 0.000 0.487 1128 L N -0.261 120.752 121.223 -0.350 0.000 2.005 1128 L HA -0.199 4.141 4.340 -0.001 0.000 0.207 1128 L C 2.368 179.095 176.870 -0.239 0.000 1.072 1128 L CA 0.985 55.490 54.840 -0.559 0.000 0.744 1128 L CB -0.804 40.904 42.059 -0.585 0.000 0.895 1128 L HN 0.160 nan 8.230 nan 0.000 0.433 1129 M N -0.160 119.363 119.600 -0.129 0.000 2.706 1129 M HA -0.100 4.380 4.480 -0.001 0.000 0.251 1129 M C 1.965 178.237 176.300 -0.047 0.000 1.070 1129 M CA 0.919 56.194 55.300 -0.043 0.000 1.073 1129 M CB -1.072 31.515 32.600 -0.021 0.000 1.449 1129 M HN 0.283 nan 8.290 nan 0.000 0.531 1130 A N -0.752 122.004 122.820 -0.107 0.000 2.195 1130 A HA 0.074 4.393 4.320 -0.001 0.000 0.210 1130 A C 0.773 178.306 177.584 -0.084 0.000 1.165 1130 A CA 0.109 52.091 52.037 -0.092 0.000 0.806 1130 A CB 0.130 19.062 19.000 -0.112 0.000 0.847 1130 A HN 0.471 nan 8.150 nan 0.000 0.482 1131 Q N -0.129 119.626 119.800 -0.074 0.000 2.307 1131 Q HA 0.264 4.604 4.340 -0.001 0.000 0.262 1131 Q C 0.484 176.496 176.000 0.020 0.000 0.961 1131 Q CA -0.556 55.233 55.803 -0.023 0.000 0.882 1131 Q CB 1.329 30.073 28.738 0.009 0.000 1.264 1131 Q HN 0.457 nan 8.270 nan 0.000 0.446 1132 N N 2.582 121.272 118.700 -0.017 0.000 2.192 1132 N HA -0.237 4.503 4.740 -0.001 0.000 0.188 1132 N C 1.420 176.897 175.510 -0.055 0.000 1.013 1132 N CA 1.426 54.461 53.050 -0.024 0.000 0.863 1132 N CB 0.290 38.756 38.487 -0.035 0.000 0.990 1132 N HN 0.567 nan 8.380 nan 0.000 0.430 1133 R N -0.796 119.632 120.500 -0.120 0.000 2.139 1133 R HA -0.132 4.207 4.340 -0.001 0.000 0.243 1133 R C 1.400 177.491 176.300 -0.348 0.000 1.145 1133 R CA 1.561 57.498 56.100 -0.272 0.000 0.976 1133 R CB -0.652 29.407 30.300 -0.402 0.000 0.866 1133 R HN 0.194 nan 8.270 nan 0.000 0.449 1134 F N 0.581 120.497 119.950 -0.056 0.000 2.505 1134 F HA 0.372 4.899 4.527 -0.001 0.000 0.289 1134 F C 2.623 178.407 175.800 -0.026 0.000 1.101 1134 F CA 0.508 58.483 58.000 -0.041 0.000 1.446 1134 F CB -0.139 38.822 39.000 -0.065 0.000 1.123 1134 F HN 0.102 nan 8.300 nan 0.000 0.564 1135 A N 0.295 123.196 122.820 0.135 0.000 2.014 1135 A HA -0.042 4.278 4.320 -0.001 0.000 0.218 1135 A C 2.206 179.824 177.584 0.057 0.000 1.163 1135 A CA 1.617 53.701 52.037 0.079 0.000 0.652 1135 A CB -1.205 17.822 19.000 0.045 0.000 0.808 1135 A HN 0.193 nan 8.150 nan 0.000 0.449 1136 V N -1.276 118.658 119.914 0.034 0.000 2.295 1136 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 1136 V C 2.299 178.440 176.094 0.078 0.000 1.049 1136 V CA 1.644 63.965 62.300 0.036 0.000 1.024 1136 V CB -1.267 30.560 31.823 0.006 0.000 0.648 1136 V HN 0.467 nan 8.190 nan 0.000 0.447 1137 L N 0.586 121.852 121.223 0.071 0.000 2.129 1137 L HA -0.268 4.071 4.340 -0.001 0.000 0.212 1137 L C 2.368 179.340 176.870 0.170 0.000 1.087 1137 L CA 2.859 57.766 54.840 0.113 0.000 0.757 1137 L CB -0.630 41.456 42.059 0.044 0.000 0.896 1137 L HN 0.574 nan 8.230 nan 0.000 0.434 1138 D N -0.573 119.901 120.400 0.122 0.000 2.077 1138 D HA -0.199 4.440 4.640 -0.001 0.000 0.196 1138 D C 2.232 178.587 176.300 0.091 0.000 0.986 1138 D CA 1.194 55.257 54.000 0.105 0.000 0.829 1138 D CB 0.120 40.967 40.800 0.078 0.000 0.983 1138 D HN 0.082 nan 8.370 nan 0.000 0.453 1139 R N -0.358 120.185 120.500 0.072 0.000 2.112 1139 R HA -0.092 4.247 4.340 -0.001 0.000 0.242 1139 R C 2.185 178.511 176.300 0.043 0.000 1.137 1139 R CA 1.842 57.971 56.100 0.047 0.000 0.944 1139 R CB -0.210 30.113 30.300 0.037 0.000 0.857 1139 R HN 0.143 nan 8.270 nan 0.000 0.435 1140 S N -1.229 114.527 115.700 0.093 0.000 2.548 1140 S HA 0.143 4.613 4.470 -0.001 0.000 0.215 1140 S C -0.130 174.455 174.600 -0.026 0.000 0.976 1140 S CA 0.233 58.470 58.200 0.061 0.000 0.908 1140 S CB 0.518 63.815 63.200 0.162 0.000 0.781 1140 S HN 0.155 nan 8.310 nan 0.000 0.519 1141 F N 0.208 120.165 119.950 0.012 0.000 2.526 1141 F HA 0.323 4.849 4.527 -0.001 0.000 0.379 1141 F C -2.507 173.305 175.800 0.021 0.000 1.506 1141 F CA -1.749 56.260 58.000 0.016 0.000 1.076 1141 F CB 0.930 39.941 39.000 0.019 0.000 1.746 1141 F HN -0.081 nan 8.300 nan 0.000 0.520 1142 P HA -0.247 nan 4.420 nan 0.000 0.216 1142 P C 1.567 178.924 177.300 0.095 0.000 1.157 1142 P CA 2.182 65.339 63.100 0.095 0.000 0.880 1142 P CB 0.142 31.871 31.700 0.048 0.000 0.791 1143 E N -0.383 119.869 120.200 0.087 0.000 2.085 1143 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 1143 E C 1.327 177.986 176.600 0.099 0.000 0.994 1143 E CA 1.605 58.052 56.400 0.078 0.000 0.801 1143 E CB -1.098 28.638 29.700 0.059 0.000 0.743 1143 E HN 0.208 nan 8.360 nan 0.000 0.453 1144 D N 1.017 121.506 120.400 0.149 0.000 2.162 1144 D HA 0.028 4.668 4.640 -0.001 0.000 0.203 1144 D C 1.992 178.352 176.300 0.099 0.000 0.967 1144 D CA 1.584 55.660 54.000 0.126 0.000 0.840 1144 D CB -0.183 40.706 40.800 0.148 0.000 0.972 1144 D HN 0.318 nan 8.370 nan 0.000 0.482 1145 A N 1.218 124.110 122.820 0.120 0.000 1.902 1145 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 1145 A C 2.012 179.648 177.584 0.087 0.000 1.181 1145 A CA 1.746 53.846 52.037 0.106 0.000 0.623 1145 A CB -0.580 18.494 19.000 0.123 0.000 0.818 1145 A HN 0.238 nan 8.150 nan 0.000 0.443 1146 K N -0.403 120.041 120.400 0.074 0.000 2.209 1146 K HA -0.148 4.171 4.320 -0.001 0.000 0.204 1146 K C 2.093 178.724 176.600 0.051 0.000 1.048 1146 K CA 1.478 57.798 56.287 0.055 0.000 0.940 1146 K CB -0.254 32.273 32.500 0.046 0.000 0.729 1146 K HN 0.418 nan 8.250 nan 0.000 0.451 1147 R N 0.490 121.023 120.500 0.055 0.000 2.062 1147 R HA 0.038 4.378 4.340 -0.001 0.000 0.229 1147 R C 2.487 178.821 176.300 0.056 0.000 1.128 1147 R CA 1.259 57.387 56.100 0.048 0.000 0.960 1147 R CB -0.176 30.152 30.300 0.047 0.000 0.855 1147 R HN 0.210 nan 8.270 nan 0.000 0.432 1148 L N 0.044 121.310 121.223 0.071 0.000 2.109 1148 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 1148 L C 2.339 179.268 176.870 0.099 0.000 1.086 1148 L CA 1.106 56.000 54.840 0.090 0.000 0.760 1148 L CB -0.252 41.868 42.059 0.103 0.000 0.910 1148 L HN 0.114 nan 8.230 nan 0.000 0.437 1149 R N -0.008 120.541 120.500 0.081 0.000 2.237 1149 R HA -0.045 4.295 4.340 -0.001 0.000 0.219 1149 R C 2.172 178.503 176.300 0.052 0.000 1.080 1149 R CA 0.988 57.116 56.100 0.047 0.000 0.995 1149 R CB -0.284 30.025 30.300 0.016 0.000 0.875 1149 R HN 0.339 nan 8.270 nan 0.000 0.462 1150 A N 0.786 123.641 122.820 0.060 0.000 1.935 1150 A HA -0.077 4.242 4.320 -0.001 0.000 0.214 1150 A C 2.017 179.658 177.584 0.094 0.000 1.178 1150 A CA 0.465 52.538 52.037 0.060 0.000 0.640 1150 A CB -0.066 18.956 19.000 0.037 0.000 0.825 1150 A HN 0.200 nan 8.150 nan 0.000 0.447 1151 Q N -0.148 119.711 119.800 0.097 0.000 2.020 1151 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 1151 Q C 2.151 178.247 176.000 0.160 0.000 0.982 1151 Q CA 1.988 57.871 55.803 0.133 0.000 0.838 1151 Q CB -0.297 28.508 28.738 0.111 0.000 0.899 1151 Q HN 0.490 nan 8.270 nan 0.000 0.423 1152 V N 0.771 120.767 119.914 0.138 0.000 2.490 1152 V HA -0.245 3.874 4.120 -0.001 0.000 0.250 1152 V C 2.174 178.347 176.094 0.132 0.000 1.061 1152 V CA 1.718 64.106 62.300 0.147 0.000 1.064 1152 V CB -0.938 30.984 31.823 0.166 0.000 0.670 1152 V HN 0.353 nan 8.190 nan 0.000 0.461 1153 A N -1.305 121.586 122.820 0.117 0.000 2.066 1153 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 1153 A C 2.214 179.871 177.584 0.121 0.000 1.157 1153 A CA 1.420 53.516 52.037 0.099 0.000 0.670 1153 A CB -0.710 18.334 19.000 0.074 0.000 0.804 1153 A HN 0.728 nan 8.150 nan 0.000 0.453 1154 H N -0.507 118.586 119.070 0.039 0.000 2.399 1154 H HA 0.048 4.604 4.556 -0.001 0.000 0.300 1154 H C 1.757 177.107 175.328 0.036 0.000 1.048 1154 H CA 1.178 57.245 56.048 0.032 0.000 1.370 1154 H CB 0.227 30.007 29.762 0.029 0.000 1.428 1154 H HN 0.603 nan 8.280 nan 0.000 0.534 1155 E N 0.837 121.014 120.200 -0.038 0.000 2.031 1155 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 1155 E C 2.467 179.025 176.600 -0.070 0.000 0.994 1155 E CA 1.585 57.929 56.400 -0.093 0.000 0.800 1155 E CB -0.072 29.636 29.700 0.014 0.000 0.752 1155 E HN 0.448 nan 8.360 nan 0.000 0.447 1156 L N 0.183 121.404 121.223 -0.005 0.000 2.191 1156 L HA -0.080 4.259 4.340 -0.001 0.000 0.212 1156 L C 1.857 178.743 176.870 0.027 0.000 1.103 1156 L CA 1.851 56.701 54.840 0.018 0.000 0.769 1156 L CB -0.544 41.541 42.059 0.043 0.000 0.908 1156 L HN -0.070 nan 8.230 nan 0.000 0.438 1157 D N 0.133 120.523 120.400 -0.016 0.000 2.149 1157 D HA -0.122 4.518 4.640 -0.001 0.000 0.201 1157 D C 1.927 178.218 176.300 -0.016 0.000 0.972 1157 D CA 1.202 55.195 54.000 -0.011 0.000 0.835 1157 D CB 0.134 40.928 40.800 -0.010 0.000 0.966 1157 D HN 0.192 nan 8.370 nan 0.000 0.476 1158 V N 0.265 120.108 119.914 -0.119 0.000 2.302 1158 V HA -0.081 4.038 4.120 -0.001 0.000 0.243 1158 V C 2.650 178.714 176.094 -0.049 0.000 1.036 1158 V CA 1.469 63.697 62.300 -0.119 0.000 1.020 1158 V CB -0.597 31.091 31.823 -0.225 0.000 0.657 1158 V HN 0.171 nan 8.190 nan 0.000 0.453 1159 R N -0.682 119.791 120.500 -0.045 0.000 2.103 1159 R HA -0.226 4.114 4.340 -0.001 0.000 0.242 1159 R C 2.211 178.511 176.300 0.001 0.000 1.142 1159 R CA 2.114 58.188 56.100 -0.042 0.000 0.960 1159 R CB -0.378 29.903 30.300 -0.032 0.000 0.858 1159 R HN 0.481 nan 8.270 nan 0.000 0.439 1160 F N 1.095 121.012 119.950 -0.054 0.000 2.407 1160 F HA -0.032 4.495 4.527 -0.001 0.000 0.299 1160 F C 1.792 177.581 175.800 -0.019 0.000 1.097 1160 F CA 1.253 59.241 58.000 -0.020 0.000 1.422 1160 F CB 0.187 39.183 39.000 -0.007 0.000 1.067 1160 F HN -0.102 nan 8.300 nan 0.000 0.539 1161 K N -0.088 120.413 120.400 0.168 0.000 2.305 1161 K HA -0.060 4.260 4.320 -0.001 0.000 0.199 1161 K C 1.741 178.335 176.600 -0.010 0.000 1.047 1161 K CA 1.069 57.421 56.287 0.108 0.000 0.976 1161 K CB 0.016 32.566 32.500 0.082 0.000 0.765 1161 K HN 0.323 nan 8.250 nan 0.000 0.474 1162 E N 0.329 120.484 120.200 -0.074 0.000 2.230 1162 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 1162 E C 1.612 178.060 176.600 -0.253 0.000 0.987 1162 E CA 0.398 56.715 56.400 -0.138 0.000 0.841 1162 E CB 0.227 29.835 29.700 -0.152 0.000 0.783 1162 E HN 0.199 nan 8.360 nan 0.000 0.481 1163 L N 1.003 122.045 121.223 -0.302 0.000 2.291 1163 L HA -0.114 4.226 4.340 -0.001 0.000 0.214 1163 L C 2.065 178.766 176.870 -0.282 0.000 1.120 1163 L CA 0.994 55.600 54.840 -0.390 0.000 0.799 1163 L CB -0.296 41.516 42.059 -0.412 0.000 0.925 1163 L HN 0.182 nan 8.230 nan 0.000 0.446 1164 E N -0.644 119.408 120.200 -0.245 0.000 2.028 1164 E HA -0.199 4.150 4.350 -0.001 0.000 0.190 1164 E C 0.569 177.149 176.600 -0.032 0.000 0.984 1164 E CA 0.818 57.155 56.400 -0.105 0.000 0.800 1164 E CB 0.011 29.715 29.700 0.006 0.000 0.758 1164 E HN 0.358 nan 8.360 nan 0.000 0.448 1165 H N -0.554 118.453 119.070 -0.105 0.000 2.726 1165 H HA 0.262 4.817 4.556 -0.001 0.000 0.244 1165 H C 0.396 175.637 175.328 -0.145 0.000 1.669 1165 H CA 0.100 56.097 56.048 -0.085 0.000 1.293 1165 H CB -0.088 29.639 29.762 -0.059 0.000 1.640 1165 H HN 0.057 nan 8.280 nan 0.000 0.553 1166 M N 1.091 120.460 119.600 -0.384 0.000 1.618 1166 M HA 0.138 4.618 4.480 -0.001 0.000 0.197 1166 M C 1.712 177.886 176.300 -0.210 0.000 1.133 1166 M CA 0.849 55.891 55.300 -0.430 0.000 0.861 1166 M CB 0.012 32.101 32.600 -0.851 0.000 1.687 1166 M HN 0.496 nan 8.290 nan 0.000 0.624 1167 A N 0.543 123.350 122.820 -0.022 0.000 1.933 1167 A HA 0.083 4.403 4.320 -0.001 0.000 0.218 1167 A C 1.765 179.309 177.584 -0.065 0.000 1.175 1167 A CA 2.085 54.170 52.037 0.080 0.000 0.628 1167 A CB -0.656 18.392 19.000 0.081 0.000 0.814 1167 A HN 0.556 nan 8.150 nan 0.000 0.444 1168 A N -1.407 121.310 122.820 -0.171 0.000 2.275 1168 A HA 0.343 4.662 4.320 -0.001 0.000 0.212 1168 A C 1.164 178.562 177.584 -0.311 0.000 1.201 1168 A CA 0.759 52.695 52.037 -0.168 0.000 0.843 1168 A CB -0.614 18.381 19.000 -0.008 0.000 0.873 1168 A HN 0.345 nan 8.150 nan 0.000 0.492 1169 T N 0.348 114.643 114.554 -0.432 0.000 2.851 1169 T HA 0.164 4.514 4.350 -0.001 0.000 0.298 1169 T C 1.060 175.821 174.700 0.102 0.000 0.977 1169 T CA 0.199 62.153 62.100 -0.243 0.000 1.126 1169 T CB 0.074 68.822 68.868 -0.200 0.000 0.916 1169 T HN 0.551 nan 8.240 nan 0.000 0.529 1170 N N 4.150 122.905 118.700 0.091 0.000 2.300 1170 N HA 0.105 4.845 4.740 -0.001 0.000 0.179 1170 N C 0.152 175.582 175.510 -0.134 0.000 1.016 1170 N CA 0.359 53.453 53.050 0.073 0.000 0.876 1170 N CB -0.345 38.155 38.487 0.021 0.000 0.979 1170 N HN 0.532 nan 8.380 nan 0.000 0.432 1171 I N 0.981 121.509 120.570 -0.068 0.000 2.638 1171 I HA 0.232 4.401 4.170 -0.001 0.000 0.286 1171 I C -0.607 175.496 176.117 -0.022 0.000 1.088 1171 I CA -0.337 60.871 61.300 -0.152 0.000 1.397 1171 I CB 0.035 38.012 38.000 -0.039 0.000 1.414 1171 I HN 0.058 nan 8.210 nan 0.000 0.566 1172 F N 1.450 121.402 119.950 0.004 0.000 2.843 1172 F HA 0.337 4.864 4.527 -0.000 0.000 0.323 1172 F C -1.466 174.370 175.800 0.060 0.000 1.142 1172 F CA -1.415 56.599 58.000 0.024 0.000 0.925 1172 F CB 0.670 39.672 39.000 0.004 0.000 1.277 1172 F HN 0.432 nan 8.300 nan 0.000 0.446 1173 E N 1.895 122.344 120.200 0.414 0.000 2.052 1173 E HA 0.317 4.667 4.350 -0.001 0.000 0.283 1173 E C 0.008 176.838 176.600 0.383 0.000 1.071 1173 E CA -0.460 56.130 56.400 0.318 0.000 0.851 1173 E CB 1.424 31.270 29.700 0.242 0.000 1.066 1173 E HN 0.648 nan 8.360 nan 0.000 0.396 1174 S N 2.667 118.566 115.700 0.332 0.000 2.614 1174 S HA 0.156 4.626 4.470 -0.001 0.000 0.251 1174 S C -0.543 174.313 174.600 0.427 0.000 1.388 1174 S CA 0.047 58.448 58.200 0.335 0.000 0.973 1174 S CB 0.240 63.569 63.200 0.214 0.000 0.926 1174 S HN 0.462 nan 8.310 nan 0.000 0.580 1175 F N -0.215 119.849 119.950 0.189 0.000 2.628 1175 F HA 0.621 5.147 4.527 -0.001 0.000 0.309 1175 F C -1.011 174.877 175.800 0.146 0.000 1.108 1175 F CA -0.386 57.734 58.000 0.199 0.000 0.971 1175 F CB 1.200 40.355 39.000 0.259 0.000 1.279 1175 F HN 0.633 nan 8.300 nan 0.000 0.441 1176 A N 6.184 128.373 122.820 -1.051 0.000 2.408 1176 A HA 0.680 4.999 4.320 -0.001 0.000 0.295 1176 A C -2.634 174.095 177.584 -1.424 0.000 1.040 1176 A CA -1.466 50.011 52.037 -0.935 0.000 0.707 1176 A CB 1.480 20.251 19.000 -0.382 0.000 1.235 1176 A HN 0.519 nan 8.150 nan 0.000 0.418 1177 P HA 0.187 nan 4.420 nan 0.000 0.218 1177 P C 0.454 177.590 177.300 -0.274 0.000 1.149 1177 P CA 2.022 64.842 63.100 -0.467 0.000 0.817 1177 P CB 0.216 31.802 31.700 -0.189 0.000 0.785 1178 A N -3.298 119.360 122.820 -0.270 0.000 2.581 1178 A HA 0.502 4.822 4.320 -0.001 0.000 0.321 1178 A C -0.733 176.767 177.584 -0.139 0.000 0.850 1178 A CA -0.336 51.592 52.037 -0.182 0.000 0.549 1178 A CB -0.601 18.312 19.000 -0.144 0.000 1.495 1178 A HN 0.393 nan 8.150 nan 0.000 0.458 1179 G N -0.656 108.081 108.800 -0.104 0.000 2.482 1179 G HA2 0.693 4.653 3.960 -0.001 0.000 0.201 1179 G HA3 0.693 4.653 3.960 -0.001 0.000 0.201 1179 G C 0.293 175.157 174.900 -0.061 0.000 3.137 1179 G CA 1.433 46.487 45.100 -0.077 0.000 0.798 1179 G HN 2.776 nan 8.290 nan 0.000 0.493 1180 G N 1.875 110.646 108.800 -0.049 0.000 2.687 1180 G HA2 0.584 4.544 3.960 -0.001 0.000 0.106 1180 G HA3 0.584 4.544 3.960 -0.001 0.000 0.106 1180 G C 1.000 175.882 174.900 -0.030 0.000 1.082 1180 G CA 1.135 46.212 45.100 -0.038 0.000 1.394 1180 G HN 1.661 nan 8.290 nan 0.000 0.627 1181 K N 0.434 120.816 120.400 -0.030 0.000 5.240 1181 K HA -0.056 4.264 4.320 -0.001 0.000 0.296 1181 K C 1.119 177.709 176.600 -0.017 0.000 0.663 1181 K CA 2.784 59.057 56.287 -0.023 0.000 1.051 1181 K CB -2.031 30.453 32.500 -0.026 0.000 0.767 1181 K HN 2.661 nan 8.250 nan 0.000 0.850 1182 A N 0.770 123.582 122.820 -0.013 0.000 2.435 1182 A HA -0.001 4.319 4.320 -0.001 0.000 0.686 1182 A C -0.743 176.836 177.584 -0.008 0.000 0.138 1182 A CA 0.457 52.488 52.037 -0.009 0.000 0.025 1182 A CB -1.363 17.631 19.000 -0.010 0.000 3.974 1182 A HN 0.673 nan 8.150 nan 0.000 0.548 1183 D N 0.502 120.899 120.400 -0.005 0.000 2.982 1183 D HA 0.379 5.018 4.640 -0.001 0.000 0.222 1183 D C 0.679 176.975 176.300 -0.007 0.000 1.124 1183 D CA 2.705 56.702 54.000 -0.005 0.000 0.810 1183 D CB 0.189 40.986 40.800 -0.005 0.000 1.152 1183 D HN 1.861 nan 8.370 nan 0.000 0.538 1184 G N 0.539 109.335 108.800 -0.007 0.000 2.169 1184 G HA2 0.406 4.366 3.960 -0.001 0.000 0.286 1184 G HA3 0.406 4.366 3.960 -0.001 0.000 0.286 1184 G C -1.155 173.742 174.900 -0.006 0.000 1.742 1184 G CA -0.633 44.463 45.100 -0.007 0.000 0.904 1184 G HN 0.491 nan 8.290 nan 0.000 0.735 1185 S N -0.008 115.687 115.700 -0.007 0.000 2.526 1185 S HA 0.874 5.344 4.470 -0.001 0.000 0.293 1185 S C -0.953 173.642 174.600 -0.008 0.000 1.092 1185 S CA -0.345 57.852 58.200 -0.005 0.000 0.980 1185 S CB 2.175 65.370 63.200 -0.008 0.000 1.048 1185 S HN 2.170 nan 8.310 nan 0.000 0.483 1186 V N 3.003 122.915 119.914 -0.003 0.000 2.752 1186 V HA 0.491 4.611 4.120 -0.001 0.000 0.302 1186 V C -1.301 174.790 176.094 -0.006 0.000 1.133 1186 V CA -0.590 61.705 62.300 -0.008 0.000 0.919 1186 V CB 1.829 33.652 31.823 0.001 0.000 1.026 1186 V HN 1.101 nan 8.190 nan 0.000 0.429 1187 D N 3.865 124.233 120.400 -0.053 0.000 2.341 1187 D HA 0.290 4.929 4.640 -0.001 0.000 0.245 1187 D C 1.118 177.351 176.300 -0.112 0.000 1.106 1187 D CA 0.103 54.029 54.000 -0.124 0.000 0.905 1187 D CB 0.960 41.615 40.800 -0.241 0.000 1.202 1187 D HN 0.569 nan 8.370 nan 0.000 0.426 1188 F N 0.864 120.814 119.950 -0.001 0.000 2.494 1188 F HA 0.160 4.686 4.527 -0.001 0.000 0.298 1188 F C 1.717 177.520 175.800 0.006 0.000 1.106 1188 F CA 0.375 58.377 58.000 0.002 0.000 1.452 1188 F CB -0.567 38.434 39.000 0.002 0.000 1.085 1188 F HN 0.293 nan 8.300 nan 0.000 0.569 1189 G N -0.032 108.502 108.800 -0.442 0.000 2.880 1189 G HA2 0.006 3.965 3.960 -0.001 0.000 0.209 1189 G HA3 0.006 3.965 3.960 -0.001 0.000 0.209 1189 G C 0.382 175.212 174.900 -0.117 0.000 1.157 1189 G CA -0.278 44.660 45.100 -0.270 0.000 0.779 1189 G HN 0.190 nan 8.290 nan 0.000 0.539 1190 E N 0.475 120.621 120.200 -0.089 0.000 2.392 1190 E HA 0.296 4.646 4.350 -0.001 0.000 0.264 1190 E C 1.296 177.885 176.600 -0.019 0.000 1.024 1190 E CA 0.346 56.715 56.400 -0.051 0.000 0.903 1190 E CB 0.767 30.443 29.700 -0.041 0.000 0.963 1190 E HN 0.218 nan 8.360 nan 0.000 0.432 1191 G N 1.842 110.630 108.800 -0.021 0.000 2.309 1191 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.286 1191 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.286 1191 G C 0.495 175.397 174.900 0.004 0.000 1.002 1191 G CA 0.666 45.760 45.100 -0.011 0.000 0.786 1191 G HN 0.729 nan 8.290 nan 0.000 0.511 1192 A N -1.167 121.660 122.820 0.012 0.000 2.322 1192 A HA 0.743 5.062 4.320 -0.001 0.000 0.269 1192 A C 1.092 178.689 177.584 0.022 0.000 1.094 1192 A CA 0.635 52.698 52.037 0.044 0.000 0.807 1192 A CB 0.553 19.596 19.000 0.071 0.000 1.047 1192 A HN 0.300 nan 8.150 nan 0.000 0.487 1193 E N 0.790 121.015 120.200 0.042 0.000 2.075 1193 E HA 0.174 4.523 4.350 -0.001 0.000 0.190 1193 E C -0.348 176.150 176.600 -0.169 0.000 0.969 1193 E CA 0.823 57.177 56.400 -0.076 0.000 0.815 1193 E CB -0.175 29.477 29.700 -0.080 0.000 0.776 1193 E HN 0.619 nan 8.360 nan 0.000 0.457 1194 F N 0.127 120.084 119.950 0.013 0.000 2.375 1194 F HA 0.284 4.810 4.527 -0.002 0.000 0.317 1194 F C 0.598 176.409 175.800 0.019 0.000 1.124 1194 F CA -1.356 56.653 58.000 0.014 0.000 1.050 1194 F CB 0.561 39.570 39.000 0.015 0.000 1.314 1194 F HN -0.123 nan 8.300 nan 0.000 0.511 1195 c N 0.922 119.664 118.600 0.238 0.000 2.679 1195 c HA 0.159 4.729 4.570 -0.001 0.000 0.417 1195 c C 1.488 175.667 174.090 0.148 0.000 1.302 1195 c CA 0.164 56.575 56.329 0.137 0.000 1.973 1195 c CB 0.190 42.766 42.510 0.110 0.000 2.715 1195 c HN 0.845 nan 8.230 nan 0.000 0.628 1196 T N 1.576 116.206 114.554 0.126 0.000 3.091 1196 T HA 0.252 4.601 4.350 -0.001 0.000 0.277 1196 T C 0.309 175.133 174.700 0.206 0.000 0.996 1196 T CA 0.168 62.378 62.100 0.183 0.000 0.897 1196 T CB -0.162 68.827 68.868 0.202 0.000 1.109 1196 T HN 0.701 nan 8.240 nan 0.000 0.534 1197 R N 1.348 121.923 120.500 0.125 0.000 2.764 1197 R HA 0.523 4.863 4.340 -0.001 0.000 0.270 1197 R C -1.685 174.656 176.300 0.068 0.000 1.014 1197 R CA -0.780 55.384 56.100 0.107 0.000 0.904 1197 R CB 1.451 31.799 30.300 0.080 0.000 1.236 1197 R HN 0.206 nan 8.270 nan 0.000 0.466 1198 D N -1.220 119.213 120.400 0.055 0.000 2.442 1198 D HA 0.213 4.852 4.640 -0.001 0.000 0.254 1198 D C -0.242 176.075 176.300 0.028 0.000 1.069 1198 D CA -0.637 53.385 54.000 0.038 0.000 1.017 1198 D CB 0.641 41.460 40.800 0.031 0.000 1.172 1198 D HN 0.320 nan 8.370 nan 0.000 0.561 1199 D N -0.991 119.422 120.400 0.022 0.000 2.378 1199 D HA 0.003 4.642 4.640 -0.001 0.000 0.227 1199 D C 0.199 176.506 176.300 0.012 0.000 1.012 1199 D CA 0.550 54.559 54.000 0.016 0.000 0.905 1199 D CB -0.497 40.312 40.800 0.014 0.000 0.895 1199 D HN 0.286 nan 8.370 nan 0.000 0.532 1200 T N 1.438 116.000 114.554 0.013 0.000 2.930 1200 T HA 0.083 4.432 4.350 -0.001 0.000 0.306 1200 T C -1.566 173.137 174.700 0.006 0.000 1.045 1200 T CA -1.063 61.042 62.100 0.009 0.000 1.134 1200 T CB 1.665 70.539 68.868 0.009 0.000 0.961 1200 T HN -0.083 nan 8.240 nan 0.000 0.545 1201 P HA 0.078 nan 4.420 nan 0.000 0.230 1201 P C 1.166 178.462 177.300 -0.006 0.000 1.158 1201 P CA 0.802 63.899 63.100 -0.005 0.000 0.769 1201 P CB 0.101 31.795 31.700 -0.011 0.000 0.807 1202 M N -2.470 117.128 119.600 -0.003 0.000 2.288 1202 M HA 0.035 4.515 4.480 -0.001 0.000 0.266 1202 M C 1.980 178.286 176.300 0.010 0.000 1.072 1202 M CA 1.525 56.823 55.300 -0.002 0.000 1.132 1202 M CB -0.445 32.153 32.600 -0.004 0.000 1.386 1202 M HN -0.083 nan 8.290 nan 0.000 0.432 1203 M N 0.139 119.750 119.600 0.019 0.000 2.476 1203 M HA 0.169 4.649 4.480 -0.001 0.000 0.262 1203 M C 0.736 177.050 176.300 0.024 0.000 1.111 1203 M CA -0.110 55.211 55.300 0.035 0.000 1.127 1203 M CB -0.097 32.534 32.600 0.052 0.000 1.376 1203 M HN 0.164 nan 8.290 nan 0.000 0.465 1204 A N 2.265 125.091 122.820 0.011 0.000 2.566 1204 A HA 0.154 4.474 4.320 -0.001 0.000 0.245 1204 A C 0.216 177.798 177.584 -0.003 0.000 1.056 1204 A CA 0.526 52.564 52.037 0.001 0.000 0.757 1204 A CB 0.109 19.107 19.000 -0.003 0.000 0.979 1204 A HN 0.290 nan 8.150 nan 0.000 0.508 1205 R N 1.972 122.466 120.500 -0.010 0.000 2.939 1205 R HA 0.455 4.795 4.340 -0.001 0.000 0.254 1205 R C -1.962 174.326 176.300 -0.020 0.000 1.123 1205 R CA -2.135 53.955 56.100 -0.016 0.000 1.020 1205 R CB -0.056 30.229 30.300 -0.024 0.000 1.206 1205 R HN 0.383 nan 8.270 nan 0.000 0.491 1206 P HA -0.060 nan 4.420 nan 0.000 0.215 1206 P C -0.092 177.193 177.300 -0.025 0.000 1.153 1206 P CA 1.266 64.353 63.100 -0.022 0.000 0.853 1206 P CB 0.324 32.011 31.700 -0.021 0.000 0.788 1207 D N -1.399 118.982 120.400 -0.032 0.000 2.427 1207 D HA 0.068 4.708 4.640 -0.001 0.000 0.224 1207 D C 0.343 176.619 176.300 -0.041 0.000 1.157 1207 D CA 0.201 54.179 54.000 -0.036 0.000 0.828 1207 D CB -0.161 40.615 40.800 -0.040 0.000 0.974 1207 D HN 0.202 nan 8.370 nan 0.000 0.498 1208 S N -1.708 113.970 115.700 -0.037 0.000 2.693 1208 S HA 0.637 5.107 4.470 -0.001 0.000 0.276 1208 S C 1.211 175.796 174.600 -0.025 0.000 1.192 1208 S CA 0.135 58.314 58.200 -0.036 0.000 0.994 1208 S CB 2.378 65.559 63.200 -0.031 0.000 1.012 1208 S HN 0.185 nan 8.310 nan 0.000 0.550 1209 G N -0.351 108.436 108.800 -0.021 0.000 2.260 1209 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.179 1209 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.179 1209 G C -0.178 174.712 174.900 -0.016 0.000 1.002 1209 G CA -0.066 45.025 45.100 -0.015 0.000 0.677 1209 G HN 0.941 nan 8.290 nan 0.000 0.486 1210 E N 1.172 121.359 120.200 -0.022 0.000 2.373 1210 E HA 0.569 4.919 4.350 -0.001 0.000 0.267 1210 E C 1.029 177.618 176.600 -0.018 0.000 1.032 1210 E CA 0.102 56.489 56.400 -0.022 0.000 0.889 1210 E CB 0.739 30.421 29.700 -0.029 0.000 0.984 1210 E HN 0.659 nan 8.360 nan 0.000 0.425 1211 A N 3.057 125.866 122.820 -0.018 0.000 2.406 1211 A HA 0.383 4.703 4.320 -0.001 0.000 0.243 1211 A C -0.089 177.483 177.584 -0.020 0.000 1.082 1211 A CA 0.082 52.110 52.037 -0.015 0.000 0.786 1211 A CB -0.178 18.813 19.000 -0.016 0.000 1.029 1211 A HN 0.869 nan 8.150 nan 0.000 0.495 1212 c N -1.050 117.541 118.600 -0.014 0.000 3.249 1212 c HA 0.588 5.158 4.570 -0.001 0.000 0.350 1212 c C -0.959 173.127 174.090 -0.006 0.000 1.431 1212 c CA -0.991 55.325 56.329 -0.022 0.000 1.209 1212 c CB 0.829 43.338 42.510 -0.001 0.000 1.546 1212 c HN 0.791 nan 8.230 nan 0.000 0.450 1213 D N 0.890 121.276 120.400 -0.023 0.000 2.365 1213 D HA 0.170 4.810 4.640 -0.001 0.000 0.237 1213 D C 0.493 176.934 176.300 0.235 0.000 1.190 1213 D CA 0.649 54.678 54.000 0.047 0.000 0.867 1213 D CB 1.093 41.773 40.800 -0.200 0.000 1.050 1213 D HN 0.692 nan 8.370 nan 0.000 0.491 1214 Q N 2.881 122.777 119.800 0.161 0.000 2.431 1214 Q HA -0.023 4.317 4.340 -0.001 0.000 0.210 1214 Q C 0.006 176.087 176.000 0.136 0.000 0.958 1214 Q CA 0.169 56.052 55.803 0.133 0.000 0.957 1214 Q CB -0.289 28.495 28.738 0.076 0.000 1.007 1214 Q HN 0.570 nan 8.270 nan 0.000 0.511 1215 N N -1.380 117.460 118.700 0.233 0.000 2.815 1215 N HA -0.253 4.486 4.740 -0.001 0.000 0.247 1215 N C 0.390 175.937 175.510 0.061 0.000 1.030 1215 N CA 0.947 54.060 53.050 0.104 0.000 0.881 1215 N CB -0.454 37.977 38.487 -0.093 0.000 1.134 1215 N HN 0.254 nan 8.380 nan 0.000 0.582 1216 R N -0.044 120.502 120.500 0.076 0.000 2.237 1216 R HA 0.142 4.482 4.340 -0.001 0.000 0.219 1216 R C 1.607 177.938 176.300 0.050 0.000 1.080 1216 R CA 1.369 57.497 56.100 0.047 0.000 0.995 1216 R CB 0.128 30.453 30.300 0.041 0.000 0.875 1216 R HN 0.326 nan 8.270 nan 0.000 0.462 1217 A N 0.210 123.078 122.820 0.081 0.000 2.460 1217 A HA 0.433 4.753 4.320 -0.001 0.000 0.258 1217 A C 0.559 178.192 177.584 0.083 0.000 1.300 1217 A CA 0.365 52.447 52.037 0.074 0.000 0.913 1217 A CB 0.047 19.092 19.000 0.075 0.000 1.031 1217 A HN 0.354 nan 8.150 nan 0.000 0.512 1218 G N -1.184 107.658 108.800 0.070 0.000 2.757 1218 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.638 1218 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.638 1218 G C -0.021 174.928 174.900 0.081 0.000 1.344 1218 G CA -0.421 44.707 45.100 0.047 0.000 0.855 1218 G HN 0.556 nan 8.290 nan 0.000 0.537 1219 T N 0.264 114.839 114.554 0.035 0.000 2.856 1219 T HA 0.411 4.760 4.350 -0.001 0.000 0.306 1219 T C 2.007 176.807 174.700 0.167 0.000 1.062 1219 T CA 0.721 62.853 62.100 0.053 0.000 1.083 1219 T CB 0.941 69.812 68.868 0.006 0.000 0.984 1219 T HN 0.846 nan 8.240 nan 0.000 0.542 1220 S N 1.470 117.311 115.700 0.234 0.000 2.365 1220 S HA -0.152 4.317 4.470 -0.001 0.000 0.221 1220 S C 2.224 176.884 174.600 0.100 0.000 1.037 1220 S CA 1.625 59.942 58.200 0.195 0.000 1.060 1220 S CB -0.308 62.997 63.200 0.176 0.000 0.974 1220 S HN 0.877 nan 8.310 nan 0.000 0.427 1221 E N 1.136 121.380 120.200 0.073 0.000 2.219 1221 E HA -0.264 4.085 4.350 -0.001 0.000 0.198 1221 E C 1.807 178.431 176.600 0.039 0.000 0.998 1221 E CA 1.280 57.707 56.400 0.045 0.000 0.818 1221 E CB -0.480 29.239 29.700 0.032 0.000 0.741 1221 E HN 0.582 nan 8.360 nan 0.000 0.477 1222 Q N 0.451 120.278 119.800 0.045 0.000 2.187 1222 Q HA -0.062 4.278 4.340 -0.001 0.000 0.199 1222 Q C 2.252 178.276 176.000 0.040 0.000 0.957 1222 Q CA 1.167 56.991 55.803 0.035 0.000 0.857 1222 Q CB 0.060 28.816 28.738 0.030 0.000 0.929 1222 Q HN 0.366 nan 8.270 nan 0.000 0.453 1223 Q N -0.773 119.061 119.800 0.057 0.000 2.079 1223 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 1223 Q C 1.988 178.007 176.000 0.030 0.000 0.974 1223 Q CA 1.386 57.219 55.803 0.050 0.000 0.840 1223 Q CB -0.153 28.625 28.738 0.067 0.000 0.898 1223 Q HN 0.493 nan 8.270 nan 0.000 0.430 1224 G N 0.942 109.760 108.800 0.030 0.000 2.394 1224 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.214 1224 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.214 1224 G C 1.085 175.994 174.900 0.015 0.000 1.176 1224 G CA 0.941 46.052 45.100 0.019 0.000 0.786 1224 G HN 0.515 nan 8.290 nan 0.000 0.533 1225 D N 0.501 120.911 120.400 0.017 0.000 2.221 1225 D HA -0.128 4.511 4.640 -0.001 0.000 0.204 1225 D C 2.306 178.613 176.300 0.012 0.000 0.982 1225 D CA 0.805 54.813 54.000 0.013 0.000 0.857 1225 D CB -0.113 40.694 40.800 0.013 0.000 0.934 1225 D HN 0.264 nan 8.370 nan 0.000 0.475 1226 L N 0.910 122.141 121.223 0.014 0.000 2.072 1226 L HA -0.077 4.263 4.340 -0.001 0.000 0.205 1226 L C 2.638 179.513 176.870 0.009 0.000 1.079 1226 L CA 1.726 56.573 54.840 0.012 0.000 0.752 1226 L CB -0.870 41.199 42.059 0.016 0.000 0.906 1226 L HN 0.040 nan 8.230 nan 0.000 0.436 1227 S N -0.734 114.971 115.700 0.009 0.000 2.383 1227 S HA -0.221 4.248 4.470 -0.001 0.000 0.227 1227 S C 1.873 176.476 174.600 0.004 0.000 1.026 1227 S CA 0.953 59.156 58.200 0.006 0.000 0.981 1227 S CB -0.391 62.811 63.200 0.004 0.000 0.818 1227 S HN 0.419 nan 8.310 nan 0.000 0.472 1228 K N 0.657 121.060 120.400 0.005 0.000 2.790 1228 K HA 0.199 4.518 4.320 -0.001 0.000 0.229 1228 K C 0.489 177.091 176.600 0.004 0.000 1.040 1228 K CA -0.035 56.255 56.287 0.004 0.000 1.211 1228 K CB -0.081 32.422 32.500 0.005 0.000 1.002 1228 K HN 0.299 nan 8.250 nan 0.000 0.479 1229 R N -1.077 119.425 120.500 0.004 0.000 2.478 1229 R HA 0.020 4.359 4.340 -0.001 0.000 0.377 1229 R C 0.538 176.840 176.300 0.004 0.000 0.853 1229 R CA 0.451 56.553 56.100 0.004 0.000 1.113 1229 R CB 1.022 31.325 30.300 0.005 0.000 1.725 1229 R HN 0.309 nan 8.270 nan 0.000 0.524 1230 T N -3.339 111.217 114.554 0.003 0.000 3.525 1230 T HA 0.010 4.359 4.350 -0.001 0.000 0.286 1230 T C 1.236 175.937 174.700 0.001 0.000 0.944 1230 T CA 0.386 62.488 62.100 0.002 0.000 1.063 1230 T CB 0.184 69.054 68.868 0.003 0.000 1.179 1230 T HN 0.118 nan 8.240 nan 0.000 0.493 1231 K N 1.643 122.044 120.400 0.001 0.000 3.546 1231 K HA -0.412 3.908 4.320 -0.001 0.000 0.238 1231 K C 0.343 176.943 176.600 -0.000 0.000 0.781 1231 K CA 2.154 58.441 56.287 0.000 0.000 1.011 1231 K CB -1.806 30.695 32.500 -0.000 0.000 1.468 1231 K HN 0.524 nan 8.250 nan 0.000 0.633 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543