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 1b0p_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.907 174.900 0.012 0.000 0.946 2 G CA 0.000 45.109 45.100 0.015 0.000 0.502 3 K N 0.772 121.169 120.400 -0.004 0.000 2.154 3 K HA 0.607 4.926 4.320 -0.001 0.000 0.264 3 K C -0.580 175.996 176.600 -0.039 0.000 1.008 3 K CA -0.188 56.084 56.287 -0.025 0.000 0.937 3 K CB 1.673 34.155 32.500 -0.030 0.000 1.002 3 K HN 0.363 nan 8.250 nan 0.000 0.469 4 K N 2.747 123.108 120.400 -0.066 0.000 2.565 4 K HA 0.222 4.541 4.320 -0.001 0.000 0.249 4 K C -0.840 175.701 176.600 -0.097 0.000 0.958 4 K CA -0.537 55.705 56.287 -0.074 0.000 0.806 4 K CB 1.092 33.547 32.500 -0.076 0.000 1.194 4 K HN 0.434 nan 8.250 nan 0.000 0.434 5 M N 4.037 123.591 119.600 -0.076 0.000 2.241 5 M HA 0.339 4.818 4.480 -0.001 0.000 0.335 5 M C -0.351 175.905 176.300 -0.073 0.000 1.122 5 M CA 0.265 55.522 55.300 -0.073 0.000 1.164 5 M CB 1.024 33.589 32.600 -0.058 0.000 1.459 5 M HN 0.906 nan 8.290 nan 0.000 0.461 6 M N 1.866 121.428 119.600 -0.064 0.000 2.449 6 M HA 0.227 4.706 4.480 -0.001 0.000 0.291 6 M C -1.204 175.084 176.300 -0.019 0.000 1.148 6 M CA -0.369 54.899 55.300 -0.052 0.000 0.925 6 M CB 2.238 34.781 32.600 -0.095 0.000 1.767 6 M HN 0.725 nan 8.290 nan 0.000 0.503 7 T N 1.199 115.757 114.554 0.007 0.000 2.874 7 T HA 0.802 5.151 4.350 -0.001 0.000 0.321 7 T C -0.572 174.153 174.700 0.043 0.000 1.075 7 T CA 0.059 62.181 62.100 0.036 0.000 0.966 7 T CB 0.404 69.308 68.868 0.062 0.000 1.001 7 T HN 0.820 nan 8.240 nan 0.000 0.476 8 T N 0.509 115.089 114.554 0.042 0.000 2.787 8 T HA 0.664 5.013 4.350 -0.001 0.000 0.297 8 T C -1.121 173.614 174.700 0.059 0.000 1.221 8 T CA -0.991 61.141 62.100 0.052 0.000 1.006 8 T CB 1.454 70.350 68.868 0.046 0.000 1.328 8 T HN 0.634 nan 8.240 nan 0.000 0.509 9 D N -0.658 119.779 120.400 0.061 0.000 2.388 9 D HA 0.459 5.098 4.640 -0.001 0.000 0.254 9 D C 1.678 178.002 176.300 0.039 0.000 1.111 9 D CA -0.277 53.763 54.000 0.067 0.000 0.993 9 D CB 0.139 40.977 40.800 0.063 0.000 1.118 9 D HN 0.742 nan 8.370 nan 0.000 0.502 10 G N 0.081 108.910 108.800 0.048 0.000 2.469 10 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.219 10 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.219 10 G C 1.284 176.114 174.900 -0.116 0.000 1.150 10 G CA 0.970 46.024 45.100 -0.076 0.000 0.763 10 G HN 0.654 nan 8.290 nan 0.000 0.561 11 N N -0.500 118.248 118.700 0.079 0.000 2.084 11 N HA -0.112 4.627 4.740 -0.001 0.000 0.190 11 N C 2.364 177.905 175.510 0.053 0.000 1.030 11 N CA 1.702 54.825 53.050 0.122 0.000 0.849 11 N CB -0.188 38.311 38.487 0.020 0.000 1.012 11 N HN 0.391 nan 8.380 nan 0.000 0.423 12 T N -0.887 113.698 114.554 0.052 0.000 2.985 12 T HA 0.137 4.487 4.350 -0.001 0.000 0.266 12 T C 1.785 176.601 174.700 0.193 0.000 1.076 12 T CA 0.890 63.080 62.100 0.150 0.000 1.135 12 T CB -0.162 68.813 68.868 0.179 0.000 0.890 12 T HN 0.196 nan 8.240 nan 0.000 0.480 13 A N 1.004 123.878 122.820 0.090 0.000 1.930 13 A HA 0.017 4.336 4.320 -0.001 0.000 0.217 13 A C 2.659 180.309 177.584 0.110 0.000 1.175 13 A CA 2.228 54.320 52.037 0.091 0.000 0.627 13 A CB -1.299 17.724 19.000 0.039 0.000 0.815 13 A HN 0.664 nan 8.150 nan 0.000 0.443 14 T N -2.387 112.186 114.554 0.031 0.000 3.009 14 T HA 0.256 4.605 4.350 -0.001 0.000 0.258 14 T C 1.897 176.643 174.700 0.077 0.000 1.063 14 T CA 1.401 63.507 62.100 0.010 0.000 1.139 14 T CB -0.327 68.556 68.868 0.024 0.000 0.890 14 T HN 0.455 nan 8.240 nan 0.000 0.471 15 A N 1.264 124.177 122.820 0.156 0.000 1.969 15 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 15 A C 2.289 180.198 177.584 0.541 0.000 1.169 15 A CA 1.650 53.817 52.037 0.217 0.000 0.635 15 A CB -1.295 17.721 19.000 0.027 0.000 0.810 15 A HN 0.799 nan 8.150 nan 0.000 0.445 16 H N 0.059 119.370 119.070 0.403 0.000 2.289 16 H HA -0.145 4.410 4.556 -0.001 0.000 0.296 16 H C 1.992 177.444 175.328 0.205 0.000 1.091 16 H CA 2.447 58.662 56.048 0.279 0.000 1.274 16 H CB -0.100 29.771 29.762 0.182 0.000 1.364 16 H HN 0.246 nan 8.280 nan 0.000 0.490 17 V N 1.237 121.235 119.914 0.140 0.000 2.379 17 V HA -0.200 3.919 4.120 -0.001 0.000 0.245 17 V C 3.104 179.072 176.094 -0.210 0.000 1.044 17 V CA 1.397 63.620 62.300 -0.128 0.000 1.036 17 V CB -1.187 30.528 31.823 -0.179 0.000 0.664 17 V HN 0.597 nan 8.190 nan 0.000 0.453 18 A N -0.641 122.172 122.820 -0.012 0.000 1.865 18 A HA -0.315 4.004 4.320 -0.001 0.000 0.217 18 A C 2.170 179.812 177.584 0.097 0.000 1.191 18 A CA 2.371 54.492 52.037 0.141 0.000 0.623 18 A CB -0.930 18.304 19.000 0.389 0.000 0.826 18 A HN 0.609 nan 8.150 nan 0.000 0.444 19 Y N 0.513 120.895 120.300 0.137 0.000 2.081 19 Y HA -0.204 4.346 4.550 -0.001 0.000 0.280 19 Y C 2.770 178.593 175.900 -0.128 0.000 1.163 19 Y CA 1.739 59.932 58.100 0.156 0.000 1.135 19 Y CB -0.626 38.073 38.460 0.398 0.000 0.970 19 Y HN 0.329 nan 8.280 nan 0.000 0.498 20 A N -0.120 122.486 122.820 -0.356 0.000 1.908 20 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 20 A C 2.063 179.328 177.584 -0.531 0.000 1.181 20 A CA 2.223 53.758 52.037 -0.837 0.000 0.627 20 A CB -0.613 17.403 19.000 -1.640 0.000 0.818 20 A HN 0.506 nan 8.150 nan 0.000 0.445 21 M N 0.074 119.355 119.600 -0.532 0.000 2.558 21 M HA 0.142 4.622 4.480 -0.001 0.000 0.255 21 M C 0.295 176.477 176.300 -0.197 0.000 1.113 21 M CA 0.392 55.392 55.300 -0.500 0.000 1.097 21 M CB -0.971 31.021 32.600 -1.013 0.000 1.426 21 M HN 0.197 nan 8.290 nan 0.000 0.488 22 S N 0.062 115.693 115.700 -0.115 0.000 2.638 22 S HA 0.356 4.825 4.470 -0.001 0.000 0.298 22 S C 0.837 175.466 174.600 0.048 0.000 1.111 22 S CA -0.663 57.569 58.200 0.054 0.000 1.027 22 S CB 2.312 65.572 63.200 0.100 0.000 1.064 22 S HN 0.232 nan 8.310 nan 0.000 0.525 23 E N -0.051 120.203 120.200 0.090 0.000 2.332 23 E HA 0.214 4.563 4.350 -0.001 0.000 0.202 23 E C -0.317 176.301 176.600 0.029 0.000 0.877 23 E CA 0.269 56.709 56.400 0.066 0.000 0.979 23 E CB 0.535 30.269 29.700 0.057 0.000 0.969 23 E HN 0.268 nan 8.360 nan 0.000 0.495 24 V N 0.431 120.372 119.914 0.045 0.000 3.046 24 V HA 0.770 4.889 4.120 -0.001 0.000 0.316 24 V C -1.091 175.026 176.094 0.039 0.000 1.104 24 V CA -0.883 61.441 62.300 0.041 0.000 1.006 24 V CB 1.889 33.741 31.823 0.048 0.000 1.058 24 V HN 0.163 nan 8.190 nan 0.000 0.440 25 A N 1.962 124.804 122.820 0.037 0.000 2.485 25 A HA 0.817 5.136 4.320 -0.001 0.000 0.285 25 A C -0.632 176.959 177.584 0.012 0.000 1.045 25 A CA 0.025 52.072 52.037 0.017 0.000 0.792 25 A CB 1.166 20.215 19.000 0.081 0.000 1.307 25 A HN 1.460 nan 8.150 nan 0.000 0.406 26 A N 2.751 125.557 122.820 -0.025 0.000 2.253 26 A HA 0.736 5.055 4.320 -0.001 0.000 0.316 26 A C -0.507 177.046 177.584 -0.052 0.000 1.327 26 A CA -0.149 51.873 52.037 -0.025 0.000 0.917 26 A CB -0.093 18.899 19.000 -0.014 0.000 1.162 26 A HN 0.776 nan 8.150 nan 0.000 0.535 27 I N 1.399 121.937 120.570 -0.054 0.000 2.750 27 I HA 0.605 4.774 4.170 -0.001 0.000 0.308 27 I C -0.840 175.271 176.117 -0.010 0.000 1.016 27 I CA -0.498 60.764 61.300 -0.064 0.000 1.098 27 I CB 1.854 39.762 38.000 -0.152 0.000 1.279 27 I HN 0.602 nan 8.210 nan 0.000 0.454 28 Y N 5.334 125.565 120.300 -0.115 0.000 2.436 28 Y HA 0.474 5.023 4.550 -0.001 0.000 0.327 28 Y C -2.618 173.306 175.900 0.039 0.000 1.138 28 Y CA -1.921 56.156 58.100 -0.038 0.000 1.042 28 Y CB 1.998 40.466 38.460 0.013 0.000 1.302 28 Y HN 0.337 nan 8.280 nan 0.000 0.439 29 P HA 0.441 nan 4.420 nan 0.000 0.287 29 P C -1.027 176.249 177.300 -0.040 0.000 1.281 29 P CA 0.030 63.081 63.100 -0.081 0.000 0.781 29 P CB 1.876 33.585 31.700 0.016 0.000 0.903 30 I N 1.725 122.313 120.570 0.031 0.000 2.649 30 I HA 0.174 4.343 4.170 -0.001 0.000 0.289 30 I C -0.584 175.525 176.117 -0.014 0.000 1.222 30 I CA -0.466 60.847 61.300 0.021 0.000 1.046 30 I CB 2.312 40.359 38.000 0.078 0.000 1.272 30 I HN 0.162 nan 8.210 nan 0.000 0.425 31 T N 8.632 123.157 114.554 -0.047 0.000 2.916 31 T HA 0.207 4.556 4.350 -0.001 0.000 0.303 31 T C -2.147 172.476 174.700 -0.128 0.000 1.025 31 T CA -0.512 61.538 62.100 -0.083 0.000 1.142 31 T CB 0.530 69.359 68.868 -0.066 0.000 0.947 31 T HN 0.472 nan 8.240 nan 0.000 0.544 32 P HA 0.199 nan 4.420 nan 0.000 0.262 32 P C 0.648 177.891 177.300 -0.095 0.000 1.651 32 P CA -0.250 62.652 63.100 -0.329 0.000 1.119 32 P CB 0.020 31.087 31.700 -1.055 0.000 1.552 33 S N -2.522 113.146 115.700 -0.052 0.000 2.556 33 S HA 0.086 4.555 4.470 -0.001 0.000 0.216 33 S C 1.629 176.245 174.600 0.027 0.000 0.970 33 S CA 0.119 58.327 58.200 0.013 0.000 0.912 33 S CB -0.690 62.543 63.200 0.055 0.000 0.790 33 S HN -0.056 nan 8.310 nan 0.000 0.504 34 S N 2.495 118.203 115.700 0.014 0.000 2.365 34 S HA -0.137 4.332 4.470 -0.001 0.000 0.225 34 S C 1.929 176.513 174.600 -0.027 0.000 1.039 34 S CA 2.058 60.276 58.200 0.030 0.000 1.033 34 S CB -1.069 62.148 63.200 0.028 0.000 0.887 34 S HN 0.731 nan 8.310 nan 0.000 0.447 35 T N 2.505 117.009 114.554 -0.083 0.000 2.778 35 T HA -0.117 4.232 4.350 -0.001 0.000 0.269 35 T C 1.714 176.261 174.700 -0.254 0.000 1.050 35 T CA 1.378 63.382 62.100 -0.160 0.000 1.137 35 T CB -0.377 68.383 68.868 -0.181 0.000 0.860 35 T HN 0.381 nan 8.240 nan 0.000 0.468 36 M N 0.496 119.919 119.600 -0.295 0.000 2.175 36 M HA 0.018 4.498 4.480 -0.001 0.000 0.264 36 M C 2.766 178.535 176.300 -0.885 0.000 1.063 36 M CA 1.577 56.505 55.300 -0.620 0.000 1.119 36 M CB -0.514 31.641 32.600 -0.741 0.000 1.377 36 M HN 0.369 nan 8.290 nan 0.000 0.415 37 G N -0.086 108.434 108.800 -0.466 0.000 2.430 37 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.216 37 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.216 37 G C 1.337 176.314 174.900 0.127 0.000 1.146 37 G CA 0.309 45.413 45.100 0.005 0.000 0.793 37 G HN 0.459 nan 8.290 nan 0.000 0.537 38 E N 0.438 120.593 120.200 -0.076 0.000 2.107 38 E HA -0.066 4.283 4.350 -0.001 0.000 0.191 38 E C 2.343 178.684 176.600 -0.432 0.000 0.982 38 E CA 0.802 56.983 56.400 -0.366 0.000 0.809 38 E CB -0.025 29.458 29.700 -0.362 0.000 0.756 38 E HN 0.529 nan 8.360 nan 0.000 0.459 39 E N 0.694 120.567 120.200 -0.545 0.000 2.072 39 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 39 E C 2.078 177.929 176.600 -1.249 0.000 0.985 39 E CA 0.851 56.657 56.400 -0.989 0.000 0.801 39 E CB -0.075 28.929 29.700 -1.159 0.000 0.750 39 E HN 0.199 nan 8.360 nan 0.000 0.452 40 A N 1.291 123.707 122.820 -0.673 0.000 1.969 40 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 40 A C 1.812 179.444 177.584 0.080 0.000 1.169 40 A CA 1.812 53.793 52.037 -0.094 0.000 0.635 40 A CB -0.360 18.776 19.000 0.227 0.000 0.810 40 A HN 0.170 nan 8.150 nan 0.000 0.445 41 D N -0.290 120.095 120.400 -0.024 0.000 2.123 41 D HA -0.117 4.522 4.640 -0.001 0.000 0.200 41 D C 1.315 177.595 176.300 -0.033 0.000 0.976 41 D CA 1.275 55.304 54.000 0.049 0.000 0.831 41 D CB -0.065 40.737 40.800 0.004 0.000 0.974 41 D HN 0.349 nan 8.370 nan 0.000 0.469 42 D N -0.445 119.834 120.400 -0.202 0.000 2.117 42 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 42 D C 1.766 178.091 176.300 0.042 0.000 0.987 42 D CA 0.644 54.563 54.000 -0.134 0.000 0.829 42 D CB -0.300 40.369 40.800 -0.218 0.000 0.961 42 D HN 0.450 nan 8.370 nan 0.000 0.460 43 W N 1.375 122.638 121.300 -0.061 0.000 2.425 43 W HA 0.128 4.787 4.660 -0.001 0.000 0.277 43 W C 2.412 178.883 176.519 -0.081 0.000 1.231 43 W CA 0.240 57.475 57.345 -0.183 0.000 1.248 43 W CB -1.091 28.075 29.460 -0.489 0.000 1.117 43 W HN -0.049 nan 8.180 nan 0.000 0.568 44 A N 0.232 123.247 122.820 0.325 0.000 1.968 44 A HA 0.144 4.463 4.320 -0.001 0.000 0.217 44 A C 2.234 179.932 177.584 0.190 0.000 1.169 44 A CA 1.951 54.199 52.037 0.352 0.000 0.638 44 A CB -0.780 18.441 19.000 0.368 0.000 0.812 44 A HN 0.081 nan 8.150 nan 0.000 0.446 45 A N -0.565 122.333 122.820 0.130 0.000 1.930 45 A HA -0.093 4.226 4.320 -0.001 0.000 0.215 45 A C 1.958 179.589 177.584 0.078 0.000 1.176 45 A CA 1.306 53.386 52.037 0.072 0.000 0.632 45 A CB -0.412 18.610 19.000 0.038 0.000 0.819 45 A HN 0.584 nan 8.150 nan 0.000 0.445 46 Q N -1.163 118.698 119.800 0.102 0.000 2.488 46 Q HA 0.204 4.543 4.340 -0.001 0.000 0.211 46 Q C 1.010 177.047 176.000 0.062 0.000 0.967 46 Q CA 0.482 56.334 55.803 0.082 0.000 0.926 46 Q CB -0.081 28.710 28.738 0.089 0.000 0.992 46 Q HN 0.876 nan 8.270 nan 0.000 0.506 47 G N 1.597 110.449 108.800 0.087 0.000 2.149 47 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.235 47 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.235 47 G C -0.127 174.823 174.900 0.083 0.000 1.018 47 G CA 0.051 45.203 45.100 0.087 0.000 0.728 47 G HN 0.277 nan 8.290 nan 0.000 0.508 48 R N 0.110 120.655 120.500 0.074 0.000 2.543 48 R HA 0.488 4.828 4.340 -0.001 0.000 0.277 48 R C 0.178 176.629 176.300 0.252 0.000 1.074 48 R CA 0.070 56.171 56.100 0.002 0.000 1.076 48 R CB 0.391 30.511 30.300 -0.300 0.000 0.993 48 R HN 0.055 nan 8.270 nan 0.000 0.459 49 K N 2.435 122.988 120.400 0.254 0.000 2.267 49 K HA 0.245 4.564 4.320 -0.001 0.000 0.246 49 K C -0.385 176.486 176.600 0.451 0.000 0.954 49 K CA -1.034 55.457 56.287 0.341 0.000 0.824 49 K CB 1.412 34.023 32.500 0.186 0.000 1.167 49 K HN 0.710 nan 8.250 nan 0.000 0.431 50 N N 0.222 119.104 118.700 0.303 0.000 2.431 50 N HA 0.122 4.862 4.740 -0.001 0.000 0.289 50 N C 1.217 176.712 175.510 -0.026 0.000 1.277 50 N CA -0.489 52.625 53.050 0.108 0.000 0.972 50 N CB -0.053 38.421 38.487 -0.022 0.000 1.143 50 N HN 0.654 nan 8.380 nan 0.000 0.578 51 I N -4.627 115.760 120.570 -0.305 0.000 2.916 51 I HA 0.033 4.202 4.170 -0.001 0.000 0.267 51 I C 0.224 176.024 176.117 -0.530 0.000 1.263 51 I CA 1.137 62.175 61.300 -0.436 0.000 1.471 51 I CB -0.539 37.095 38.000 -0.610 0.000 1.089 51 I HN 0.154 nan 8.210 nan 0.000 0.468 52 F N 2.101 122.064 119.950 0.021 0.000 2.727 52 F HA 0.465 4.991 4.527 -0.001 0.000 0.302 52 F C 1.854 177.680 175.800 0.042 0.000 1.097 52 F CA 0.091 58.108 58.000 0.028 0.000 1.330 52 F CB 0.045 39.058 39.000 0.022 0.000 1.084 52 F HN 0.257 nan 8.300 nan 0.000 0.578 53 G N 0.308 109.189 108.800 0.134 0.000 2.137 53 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.237 53 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.237 53 G C -0.078 174.908 174.900 0.143 0.000 1.002 53 G CA -0.254 44.921 45.100 0.125 0.000 0.702 53 G HN 0.242 nan 8.290 nan 0.000 0.515 54 Q N 0.146 120.050 119.800 0.173 0.000 2.413 54 Q HA 0.644 4.984 4.340 -0.001 0.000 0.276 54 Q C 0.429 176.536 176.000 0.178 0.000 1.099 54 Q CA -0.013 55.884 55.803 0.157 0.000 0.814 54 Q CB 1.544 30.370 28.738 0.147 0.000 1.379 54 Q HN 0.657 nan 8.270 nan 0.000 0.436 55 T N -1.592 113.067 114.554 0.174 0.000 2.899 55 T HA 0.433 4.782 4.350 -0.001 0.000 0.295 55 T C 0.318 175.095 174.700 0.129 0.000 1.033 55 T CA -0.756 61.488 62.100 0.241 0.000 1.084 55 T CB 0.512 69.516 68.868 0.226 0.000 0.979 55 T HN 0.458 nan 8.240 nan 0.000 0.532 56 L N 2.274 123.522 121.223 0.042 0.000 2.439 56 L HA 0.405 4.745 4.340 -0.001 0.000 0.269 56 L C 0.281 177.179 176.870 0.048 0.000 1.179 56 L CA 0.289 55.073 54.840 -0.094 0.000 0.828 56 L CB 0.703 42.516 42.059 -0.409 0.000 1.106 56 L HN 0.845 nan 8.230 nan 0.000 0.467 57 T N 6.643 121.220 114.554 0.039 0.000 2.762 57 T HA 0.542 4.891 4.350 -0.001 0.000 0.303 57 T C -0.276 174.467 174.700 0.071 0.000 0.977 57 T CA 0.105 62.240 62.100 0.060 0.000 0.961 57 T CB -0.367 68.526 68.868 0.042 0.000 0.944 57 T HN 0.369 nan 8.240 nan 0.000 0.481 58 I N 3.925 124.557 120.570 0.104 0.000 2.433 58 I HA 0.537 4.706 4.170 -0.001 0.000 0.292 58 I C 0.153 176.325 176.117 0.091 0.000 1.001 58 I CA -0.756 60.616 61.300 0.120 0.000 1.119 58 I CB 1.315 39.441 38.000 0.211 0.000 1.289 58 I HN 0.189 nan 8.210 nan 0.000 0.438 59 R N 3.934 124.457 120.500 0.039 0.000 2.628 59 R HA 0.390 4.729 4.340 -0.001 0.000 0.288 59 R C -0.837 175.427 176.300 -0.060 0.000 0.980 59 R CA -0.867 55.241 56.100 0.013 0.000 0.891 59 R CB 2.148 32.458 30.300 0.017 0.000 1.188 59 R HN 0.672 nan 8.270 nan 0.000 0.450 60 E N 3.510 123.647 120.200 -0.106 0.000 2.259 60 E HA 0.233 4.582 4.350 -0.001 0.000 0.281 60 E C -0.192 176.401 176.600 -0.012 0.000 1.027 60 E CA -0.450 55.840 56.400 -0.183 0.000 0.838 60 E CB 0.758 30.274 29.700 -0.308 0.000 1.066 60 E HN 0.204 nan 8.360 nan 0.000 0.401 61 M N 2.535 122.176 119.600 0.069 0.000 2.531 61 M HA 0.051 4.530 4.480 -0.001 0.000 0.262 61 M C 1.059 177.471 176.300 0.186 0.000 1.168 61 M CA -0.322 55.030 55.300 0.087 0.000 0.926 61 M CB 0.713 33.329 32.600 0.028 0.000 1.445 61 M HN 0.632 nan 8.290 nan 0.000 0.531 62 Q N 0.709 120.546 119.800 0.061 0.000 2.389 62 Q HA 0.040 4.380 4.340 -0.001 0.000 0.204 62 Q C -0.030 175.802 176.000 -0.280 0.000 0.944 62 Q CA 0.788 56.624 55.803 0.056 0.000 0.908 62 Q CB 0.208 28.956 28.738 0.017 0.000 1.002 62 Q HN 0.741 nan 8.270 nan 0.000 0.493 63 S N -0.649 114.695 115.700 -0.594 0.000 2.661 63 S HA 0.234 4.703 4.470 -0.001 0.000 0.268 63 S C 0.296 174.498 174.600 -0.663 0.000 1.162 63 S CA -0.350 57.199 58.200 -1.085 0.000 0.817 63 S CB 0.703 63.583 63.200 -0.533 0.000 1.141 63 S HN 0.150 nan 8.310 nan 0.000 0.477 64 E N 0.646 120.563 120.200 -0.471 0.000 2.358 64 E HA 0.092 4.441 4.350 -0.001 0.000 0.195 64 E C 1.756 178.275 176.600 -0.135 0.000 1.010 64 E CA 1.026 57.319 56.400 -0.178 0.000 0.856 64 E CB -0.578 29.082 29.700 -0.067 0.000 0.795 64 E HN 0.716 nan 8.360 nan 0.000 0.504 65 A N 1.828 124.561 122.820 -0.146 0.000 2.014 65 A HA 0.107 4.426 4.320 -0.001 0.000 0.218 65 A C 2.411 179.955 177.584 -0.067 0.000 1.163 65 A CA 1.267 53.256 52.037 -0.081 0.000 0.652 65 A CB -0.835 18.117 19.000 -0.082 0.000 0.808 65 A HN 0.354 nan 8.150 nan 0.000 0.449 66 G N -0.314 108.420 108.800 -0.109 0.000 2.404 66 G HA2 0.069 4.028 3.960 -0.001 0.000 0.214 66 G HA3 0.069 4.028 3.960 -0.001 0.000 0.214 66 G C 1.773 176.647 174.900 -0.043 0.000 1.189 66 G CA 1.227 46.283 45.100 -0.074 0.000 0.789 66 G HN 0.705 nan 8.290 nan 0.000 0.533 67 A N 1.262 124.048 122.820 -0.057 0.000 1.908 67 A HA 0.207 4.526 4.320 -0.001 0.000 0.218 67 A C 2.797 180.366 177.584 -0.025 0.000 1.181 67 A CA 2.422 54.437 52.037 -0.038 0.000 0.627 67 A CB -0.836 18.135 19.000 -0.047 0.000 0.818 67 A HN 0.830 nan 8.150 nan 0.000 0.445 68 A N -0.696 122.109 122.820 -0.025 0.000 1.972 68 A HA 0.153 4.473 4.320 -0.001 0.000 0.219 68 A C 2.335 179.995 177.584 0.127 0.000 1.169 68 A CA 1.814 53.882 52.037 0.051 0.000 0.635 68 A CB -1.182 17.857 19.000 0.065 0.000 0.810 68 A HN 0.721 nan 8.150 nan 0.000 0.446 69 G N -0.769 108.082 108.800 0.084 0.000 2.421 69 G HA2 0.106 4.065 3.960 -0.001 0.000 0.217 69 G HA3 0.106 4.065 3.960 -0.001 0.000 0.217 69 G C 1.643 176.594 174.900 0.086 0.000 1.143 69 G CA 1.150 46.314 45.100 0.106 0.000 0.784 69 G HN 0.720 nan 8.290 nan 0.000 0.541 70 A N 0.195 123.047 122.820 0.053 0.000 1.929 70 A HA 0.180 4.499 4.320 -0.001 0.000 0.216 70 A C 2.528 180.156 177.584 0.074 0.000 1.176 70 A CA 1.439 53.500 52.037 0.039 0.000 0.628 70 A CB -0.494 18.517 19.000 0.018 0.000 0.816 70 A HN 0.201 nan 8.150 nan 0.000 0.444 71 V N -0.202 119.774 119.914 0.102 0.000 2.407 71 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 71 V C 2.416 178.649 176.094 0.232 0.000 1.055 71 V CA 2.254 64.644 62.300 0.149 0.000 1.049 71 V CB -1.001 30.923 31.823 0.169 0.000 0.662 71 V HN 0.851 nan 8.190 nan 0.000 0.455 72 H N -0.145 118.998 119.070 0.123 0.000 2.389 72 H HA -0.097 4.458 4.556 -0.001 0.000 0.299 72 H C 2.248 177.632 175.328 0.093 0.000 1.081 72 H CA 1.208 57.328 56.048 0.120 0.000 1.345 72 H CB -0.010 29.820 29.762 0.113 0.000 1.393 72 H HN 0.453 nan 8.280 nan 0.000 0.520 73 G N 0.135 108.948 108.800 0.020 0.000 2.394 73 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.215 73 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.215 73 G C 1.875 176.783 174.900 0.013 0.000 1.165 73 G CA 0.597 45.655 45.100 -0.070 0.000 0.784 73 G HN 0.527 nan 8.290 nan 0.000 0.535 74 A N 0.628 123.483 122.820 0.059 0.000 1.902 74 A HA 0.065 4.384 4.320 -0.001 0.000 0.217 74 A C 2.435 180.092 177.584 0.122 0.000 1.181 74 A CA 1.339 53.418 52.037 0.071 0.000 0.623 74 A CB -0.446 18.602 19.000 0.080 0.000 0.818 74 A HN 0.345 nan 8.150 nan 0.000 0.443 75 L N -0.821 120.516 121.223 0.190 0.000 2.027 75 L HA -0.160 4.179 4.340 -0.001 0.000 0.206 75 L C 3.074 180.105 176.870 0.267 0.000 1.074 75 L CA 1.093 56.117 54.840 0.307 0.000 0.745 75 L CB -0.471 41.753 42.059 0.275 0.000 0.898 75 L HN 0.414 nan 8.230 nan 0.000 0.433 76 A N -0.153 122.777 122.820 0.183 0.000 1.972 76 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 76 A C 2.140 179.747 177.584 0.039 0.000 1.169 76 A CA 1.580 53.694 52.037 0.129 0.000 0.635 76 A CB -0.588 18.451 19.000 0.064 0.000 0.810 76 A HN 0.383 nan 8.150 nan 0.000 0.446 77 A N -1.535 121.285 122.820 -0.000 0.000 2.411 77 A HA 0.454 4.773 4.320 -0.001 0.000 0.251 77 A C 1.499 179.008 177.584 -0.126 0.000 1.317 77 A CA 0.893 52.895 52.037 -0.059 0.000 0.904 77 A CB -1.163 17.805 19.000 -0.053 0.000 0.993 77 A HN 1.857 nan 8.150 nan 0.000 0.504 78 G N -2.007 106.654 108.800 -0.232 0.000 2.137 78 G HA2 0.134 4.093 3.960 -0.001 0.000 0.237 78 G HA3 0.134 4.093 3.960 -0.001 0.000 0.237 78 G C 0.210 174.959 174.900 -0.253 0.000 1.002 78 G CA 0.241 45.009 45.100 -0.552 0.000 0.702 78 G HN 1.728 nan 8.290 nan 0.000 0.515 79 A N 0.118 122.992 122.820 0.089 0.000 2.331 79 A HA 0.801 5.120 4.320 -0.001 0.000 0.320 79 A C 0.396 178.171 177.584 0.318 0.000 1.138 79 A CA -0.678 51.461 52.037 0.170 0.000 0.790 79 A CB 0.971 20.010 19.000 0.064 0.000 1.206 79 A HN 0.767 nan 8.150 nan 0.000 0.470 80 L N 2.143 123.527 121.223 0.268 0.000 2.499 80 L HA 0.274 4.613 4.340 -0.001 0.000 0.273 80 L C 0.132 177.086 176.870 0.139 0.000 1.195 80 L CA 0.511 55.451 54.840 0.166 0.000 0.882 80 L CB 0.339 42.502 42.059 0.173 0.000 1.133 80 L HN 0.762 nan 8.230 nan 0.000 0.483 81 T N 0.990 115.613 114.554 0.115 0.000 2.933 81 T HA 0.614 4.963 4.350 -0.001 0.000 0.305 81 T C -0.220 174.536 174.700 0.093 0.000 1.092 81 T CA -0.742 61.420 62.100 0.103 0.000 1.008 81 T CB 2.172 71.109 68.868 0.114 0.000 1.102 81 T HN 0.702 nan 8.240 nan 0.000 0.469 82 T N -1.168 113.409 114.554 0.039 0.000 2.804 82 T HA 0.898 5.248 4.350 -0.001 0.000 0.290 82 T C -0.653 173.876 174.700 -0.284 0.000 1.099 82 T CA -0.949 61.123 62.100 -0.047 0.000 1.011 82 T CB 2.147 70.997 68.868 -0.030 0.000 1.291 82 T HN 0.701 nan 8.240 nan 0.000 0.523 83 T N -0.304 113.943 114.554 -0.511 0.000 2.840 83 T HA 0.614 4.963 4.350 -0.001 0.000 0.317 83 T C -2.184 172.081 174.700 -0.725 0.000 1.401 83 T CA -0.741 60.964 62.100 -0.658 0.000 1.028 83 T CB 0.932 69.480 68.868 -0.535 0.000 1.317 83 T HN 0.485 nan 8.240 nan 0.000 0.495 84 F N 1.950 121.906 119.950 0.011 0.000 2.449 84 F HA 0.751 5.277 4.527 -0.001 0.000 0.342 84 F C 0.759 176.552 175.800 -0.010 0.000 1.127 84 F CA -0.536 57.503 58.000 0.066 0.000 0.975 84 F CB 2.210 41.274 39.000 0.107 0.000 1.146 84 F HN 0.589 nan 8.300 nan 0.000 0.444 85 T N 1.115 115.732 114.554 0.105 0.000 2.648 85 T HA 0.917 5.266 4.350 -0.001 0.000 0.304 85 T C -1.662 173.035 174.700 -0.004 0.000 1.312 85 T CA -0.208 61.909 62.100 0.028 0.000 1.023 85 T CB 1.524 70.354 68.868 -0.062 0.000 1.612 85 T HN 0.992 nan 8.240 nan 0.000 0.487 86 A N 0.097 122.905 122.820 -0.019 0.000 2.511 86 A HA 0.730 5.049 4.320 -0.001 0.000 0.293 86 A C 1.020 178.585 177.584 -0.033 0.000 1.098 86 A CA 0.607 52.616 52.037 -0.046 0.000 0.643 86 A CB 0.230 19.192 19.000 -0.063 0.000 1.302 86 A HN 2.103 nan 8.150 nan 0.000 0.446 87 S N 0.022 115.696 115.700 -0.044 0.000 1.878 87 S HA -0.437 4.032 4.470 -0.001 0.000 0.537 87 S C 1.485 176.075 174.600 -0.016 0.000 0.915 87 S CA 2.750 60.931 58.200 -0.032 0.000 3.381 87 S CB -1.266 61.919 63.200 -0.026 0.000 2.352 87 S HN 1.099 nan 8.310 nan 0.000 0.593 88 Q N 1.725 121.527 119.800 0.002 0.000 2.181 88 Q HA 0.018 4.357 4.340 -0.001 0.000 0.205 88 Q C 2.555 178.569 176.000 0.023 0.000 0.980 88 Q CA 1.772 57.585 55.803 0.018 0.000 0.862 88 Q CB -1.482 27.283 28.738 0.045 0.000 0.905 88 Q HN 0.851 nan 8.270 nan 0.000 0.429 89 G N 1.140 109.960 108.800 0.033 0.000 2.404 89 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.215 89 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.215 89 G C 1.485 176.375 174.900 -0.017 0.000 1.174 89 G CA 0.680 45.798 45.100 0.030 0.000 0.780 89 G HN 0.336 nan 8.290 nan 0.000 0.537 90 L N 0.673 121.879 121.223 -0.028 0.000 2.079 90 L HA 0.028 4.367 4.340 -0.001 0.000 0.210 90 L C 2.705 179.552 176.870 -0.037 0.000 1.081 90 L CA 1.342 56.157 54.840 -0.041 0.000 0.752 90 L CB -0.418 41.609 42.059 -0.053 0.000 0.896 90 L HN 0.208 nan 8.230 nan 0.000 0.433 91 L N -1.223 119.982 121.223 -0.031 0.000 2.042 91 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 91 L C 2.404 179.263 176.870 -0.019 0.000 1.076 91 L CA 1.294 56.119 54.840 -0.025 0.000 0.749 91 L CB -0.569 41.479 42.059 -0.018 0.000 0.893 91 L HN 0.328 nan 8.230 nan 0.000 0.432 92 L N -0.963 120.245 121.223 -0.024 0.000 2.376 92 L HA -0.132 4.207 4.340 -0.001 0.000 0.219 92 L C 2.315 179.173 176.870 -0.020 0.000 1.133 92 L CA 0.707 55.528 54.840 -0.031 0.000 0.816 92 L CB -0.267 41.757 42.059 -0.058 0.000 0.933 92 L HN 0.400 nan 8.230 nan 0.000 0.449 93 M N -1.079 118.513 119.600 -0.013 0.000 2.541 93 M HA -0.014 4.465 4.480 -0.001 0.000 0.252 93 M C 2.107 178.427 176.300 0.033 0.000 1.125 93 M CA 0.805 56.119 55.300 0.024 0.000 1.091 93 M CB 0.017 32.644 32.600 0.045 0.000 1.420 93 M HN 0.181 nan 8.290 nan 0.000 0.486 94 I N 1.308 121.877 120.570 -0.001 0.000 2.113 94 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 94 I C -0.547 175.637 176.117 0.111 0.000 1.064 94 I CA 1.970 63.265 61.300 -0.009 0.000 1.320 94 I CB -1.738 36.265 38.000 0.005 0.000 1.028 94 I HN 0.152 nan 8.210 nan 0.000 0.406 95 P HA -0.141 nan 4.420 nan 0.000 0.215 95 P C 1.231 178.633 177.300 0.170 0.000 1.153 95 P CA 1.440 64.645 63.100 0.174 0.000 0.853 95 P CB -0.104 31.642 31.700 0.077 0.000 0.788 96 N N -1.408 117.360 118.700 0.113 0.000 2.331 96 N HA -0.010 4.730 4.740 -0.001 0.000 0.180 96 N C 1.625 177.167 175.510 0.053 0.000 1.019 96 N CA 0.967 54.071 53.050 0.091 0.000 0.881 96 N CB -0.303 38.266 38.487 0.136 0.000 0.972 96 N HN 0.203 nan 8.380 nan 0.000 0.435 97 M N -0.611 119.003 119.600 0.023 0.000 2.159 97 M HA -0.169 4.310 4.480 -0.001 0.000 0.263 97 M C 1.558 177.864 176.300 0.010 0.000 1.063 97 M CA 1.383 56.626 55.300 -0.094 0.000 1.110 97 M CB -0.398 31.877 32.600 -0.542 0.000 1.374 97 M HN 0.111 nan 8.290 nan 0.000 0.411 98 Y N 0.449 120.745 120.300 -0.007 0.000 2.224 98 Y HA -0.186 4.363 4.550 -0.001 0.000 0.289 98 Y C 2.526 178.420 175.900 -0.010 0.000 1.146 98 Y CA 1.180 59.287 58.100 0.013 0.000 1.182 98 Y CB -0.261 38.202 38.460 0.005 0.000 0.983 98 Y HN 0.057 nan 8.280 nan 0.000 0.524 99 K N 0.160 120.616 120.400 0.095 0.000 2.062 99 K HA -0.086 4.233 4.320 -0.001 0.000 0.205 99 K C 2.032 178.494 176.600 -0.229 0.000 1.051 99 K CA 1.125 57.361 56.287 -0.086 0.000 0.941 99 K CB -0.536 31.845 32.500 -0.198 0.000 0.719 99 K HN 0.364 nan 8.250 nan 0.000 0.440 100 I N 1.386 121.816 120.570 -0.233 0.000 2.142 100 I HA -0.309 3.860 4.170 -0.001 0.000 0.240 100 I C 2.495 178.555 176.117 -0.095 0.000 1.078 100 I CA 1.672 62.877 61.300 -0.157 0.000 1.343 100 I CB -0.367 37.642 38.000 0.016 0.000 1.046 100 I HN 0.150 nan 8.210 nan 0.000 0.405 101 S N 0.572 116.252 115.700 -0.032 0.000 2.406 101 S HA -0.056 4.413 4.470 -0.001 0.000 0.228 101 S C 2.149 176.752 174.600 0.005 0.000 1.020 101 S CA 0.852 59.015 58.200 -0.062 0.000 0.965 101 S CB -1.092 62.127 63.200 0.031 0.000 0.798 101 S HN 0.473 nan 8.310 nan 0.000 0.488 102 G N 1.283 110.108 108.800 0.040 0.000 2.422 102 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.218 102 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.218 102 G C 1.254 176.157 174.900 0.006 0.000 1.140 102 G CA 0.452 45.581 45.100 0.048 0.000 0.775 102 G HN 0.647 nan 8.290 nan 0.000 0.545 103 E N -0.043 120.153 120.200 -0.007 0.000 2.445 103 E HA 0.278 4.628 4.350 -0.001 0.000 0.189 103 E C 0.259 176.827 176.600 -0.053 0.000 1.069 103 E CA -0.443 55.959 56.400 0.005 0.000 0.871 103 E CB -0.034 29.717 29.700 0.085 0.000 0.991 103 E HN 0.288 nan 8.360 nan 0.000 0.481 104 L N 1.392 122.540 121.223 -0.126 0.000 3.823 104 L HA -0.237 4.102 4.340 -0.001 0.000 0.525 104 L C -0.660 176.118 176.870 -0.153 0.000 1.247 104 L CA 0.243 54.947 54.840 -0.228 0.000 0.776 104 L CB -1.334 40.479 42.059 -0.410 0.000 1.443 104 L HN 0.272 nan 8.230 nan 0.000 0.831 105 L N 2.378 123.525 121.223 -0.128 0.000 2.317 105 L HA 0.437 4.776 4.340 -0.001 0.000 0.281 105 L C -1.374 175.367 176.870 -0.215 0.000 1.024 105 L CA -1.673 53.119 54.840 -0.080 0.000 0.810 105 L CB 1.417 43.495 42.059 0.032 0.000 1.240 105 L HN -0.064 nan 8.230 nan 0.000 0.427 106 P HA 0.055 nan 4.420 nan 0.000 0.237 106 P C 0.321 177.453 177.300 -0.280 0.000 1.723 106 P CA -0.019 62.871 63.100 -0.350 0.000 0.882 106 P CB -0.040 31.340 31.700 -0.533 0.000 1.810 107 G N -0.067 108.599 108.800 -0.224 0.000 2.539 107 G HA2 0.419 4.378 3.960 -0.001 0.000 0.258 107 G HA3 0.419 4.378 3.960 -0.001 0.000 0.258 107 G C -0.820 173.983 174.900 -0.162 0.000 1.202 107 G CA -0.181 44.854 45.100 -0.107 0.000 0.851 107 G HN 0.137 nan 8.290 nan 0.000 0.556 108 V N 1.357 121.240 119.914 -0.051 0.000 2.623 108 V HA 0.401 4.521 4.120 -0.001 0.000 0.304 108 V C -1.249 174.936 176.094 0.150 0.000 1.054 108 V CA -0.796 61.417 62.300 -0.143 0.000 0.882 108 V CB 1.561 32.998 31.823 -0.642 0.000 1.002 108 V HN 0.543 nan 8.190 nan 0.000 0.424 109 F N 2.593 122.481 119.950 -0.103 0.000 2.436 109 F HA 0.583 5.109 4.527 -0.002 0.000 0.340 109 F C 0.339 176.056 175.800 -0.137 0.000 1.113 109 F CA -1.264 56.700 58.000 -0.060 0.000 1.022 109 F CB 1.362 40.400 39.000 0.063 0.000 1.128 109 F HN 0.514 nan 8.300 nan 0.000 0.466 110 H N 1.503 120.745 119.070 0.288 0.000 2.581 110 H HA 0.544 5.099 4.556 -0.001 0.000 0.308 110 H C -0.508 174.963 175.328 0.237 0.000 1.040 110 H CA -0.604 55.683 56.048 0.397 0.000 1.231 110 H CB 1.614 31.738 29.762 0.604 0.000 1.396 110 H HN 0.409 nan 8.280 nan 0.000 0.467 111 V N 2.364 122.383 119.914 0.175 0.000 2.555 111 V HA 0.525 4.645 4.120 -0.001 0.000 0.302 111 V C 0.167 176.031 176.094 -0.383 0.000 1.038 111 V CA -0.712 61.567 62.300 -0.035 0.000 0.887 111 V CB 1.955 33.776 31.823 -0.004 0.000 0.991 111 V HN 0.846 nan 8.190 nan 0.000 0.434 112 T N 3.593 117.896 114.554 -0.418 0.000 3.005 112 T HA 0.679 5.028 4.350 -0.001 0.000 0.323 112 T C 0.415 174.965 174.700 -0.249 0.000 1.131 112 T CA 0.234 61.991 62.100 -0.572 0.000 0.977 112 T CB 0.216 68.844 68.868 -0.400 0.000 1.055 112 T HN 1.797 nan 8.240 nan 0.000 0.562 113 A N 4.134 126.856 122.820 -0.163 0.000 2.550 113 A HA 0.299 4.618 4.320 -0.001 0.000 0.263 113 A C 0.715 178.287 177.584 -0.021 0.000 1.065 113 A CA -0.062 51.941 52.037 -0.057 0.000 0.786 113 A CB -0.221 18.819 19.000 0.067 0.000 0.985 113 A HN 0.942 nan 8.150 nan 0.000 0.518 114 R N 2.521 122.997 120.500 -0.040 0.000 2.807 114 R HA 0.659 4.998 4.340 -0.001 0.000 0.276 114 R C 0.048 176.342 176.300 -0.010 0.000 0.979 114 R CA -0.229 55.865 56.100 -0.010 0.000 0.928 114 R CB 1.580 31.862 30.300 -0.031 0.000 1.191 114 R HN 0.856 nan 8.270 nan 0.000 0.471 115 A N 3.432 126.262 122.820 0.017 0.000 2.448 115 A HA 0.279 4.598 4.320 -0.001 0.000 0.239 115 A C 0.077 177.660 177.584 -0.001 0.000 1.080 115 A CA -0.193 51.851 52.037 0.011 0.000 0.779 115 A CB 0.190 19.214 19.000 0.039 0.000 1.026 115 A HN 0.518 nan 8.150 nan 0.000 0.499 116 I N 0.616 121.184 120.570 -0.002 0.000 2.428 116 I HA 0.389 4.558 4.170 -0.001 0.000 0.296 116 I C 0.874 176.982 176.117 -0.015 0.000 0.985 116 I CA -0.339 60.956 61.300 -0.008 0.000 1.260 116 I CB 1.058 39.056 38.000 -0.004 0.000 1.389 116 I HN 0.689 nan 8.210 nan 0.000 0.484 117 A N 4.568 127.371 122.820 -0.027 0.000 2.395 117 A HA 0.612 4.931 4.320 -0.001 0.000 0.286 117 A C 0.505 178.063 177.584 -0.043 0.000 1.193 117 A CA 0.345 52.350 52.037 -0.052 0.000 0.852 117 A CB 0.154 19.123 19.000 -0.051 0.000 1.118 117 A HN 0.980 nan 8.150 nan 0.000 0.524 118 A N 2.223 125.016 122.820 -0.046 0.000 1.857 118 A HA 0.315 4.634 4.320 -0.001 0.000 0.192 118 A C 1.704 179.300 177.584 0.020 0.000 2.203 118 A CA 0.592 52.637 52.037 0.014 0.000 1.377 118 A CB -0.526 18.522 19.000 0.080 0.000 0.976 118 A HN 0.989 nan 8.150 nan 0.000 0.594 119 H N 0.261 119.349 119.070 0.030 0.000 2.462 119 H HA 0.459 5.014 4.556 -0.001 0.000 0.292 119 H C 0.403 175.775 175.328 0.073 0.000 1.049 119 H CA 1.405 57.486 56.048 0.056 0.000 1.334 119 H CB -0.180 29.618 29.762 0.060 0.000 1.404 119 H HN 0.702 nan 8.280 nan 0.000 0.544 120 A N 0.692 123.108 122.820 -0.672 0.000 2.608 120 A HA 0.480 4.799 4.320 -0.001 0.000 0.292 120 A C -1.388 176.014 177.584 -0.303 0.000 1.066 120 A CA -0.749 51.029 52.037 -0.432 0.000 0.676 120 A CB 1.043 19.744 19.000 -0.497 0.000 1.277 120 A HN 0.295 nan 8.150 nan 0.000 0.413 121 L N 0.986 122.124 121.223 -0.142 0.000 2.375 121 L HA 0.795 5.134 4.340 -0.001 0.000 0.271 121 L C 0.050 176.895 176.870 -0.043 0.000 1.107 121 L CA 0.007 54.799 54.840 -0.079 0.000 0.806 121 L CB 1.510 43.544 42.059 -0.043 0.000 1.146 121 L HN 0.814 nan 8.230 nan 0.000 0.447 122 S N 3.719 119.416 115.700 -0.006 0.000 2.548 122 S HA 0.397 4.867 4.470 -0.001 0.000 0.276 122 S C 0.347 174.960 174.600 0.021 0.000 1.129 122 S CA -0.846 57.399 58.200 0.076 0.000 0.931 122 S CB 1.370 64.656 63.200 0.143 0.000 1.068 122 S HN 0.687 nan 8.310 nan 0.000 0.480 123 I N 1.069 121.585 120.570 -0.089 0.000 3.793 123 I HA 0.442 4.611 4.170 -0.001 0.000 0.315 123 I C -0.405 175.578 176.117 -0.224 0.000 1.275 123 I CA -0.216 60.965 61.300 -0.198 0.000 1.214 123 I CB -0.229 37.602 38.000 -0.282 0.000 1.018 123 I HN 0.286 nan 8.210 nan 0.000 0.439 124 F N 2.134 122.178 119.950 0.155 0.000 2.368 124 F HA 0.596 5.122 4.527 -0.001 0.000 0.308 124 F C 1.517 177.412 175.800 0.159 0.000 1.198 124 F CA -0.489 57.628 58.000 0.195 0.000 1.130 124 F CB 0.270 39.283 39.000 0.022 0.000 1.300 124 F HN -0.113 nan 8.300 nan 0.000 0.537 125 G N 0.730 109.771 108.800 0.401 0.000 2.358 125 G HA2 0.466 4.426 3.960 -0.001 0.000 0.273 125 G HA3 0.466 4.426 3.960 -0.001 0.000 0.273 125 G C -1.332 173.587 174.900 0.031 0.000 1.215 125 G CA -0.150 45.066 45.100 0.194 0.000 0.910 125 G HN 0.721 nan 8.290 nan 0.000 0.467 126 D N -0.804 119.573 120.400 -0.037 0.000 2.725 126 D HA 0.114 4.753 4.640 -0.001 0.000 0.292 126 D C -0.209 176.012 176.300 -0.132 0.000 1.288 126 D CA -0.801 53.081 54.000 -0.197 0.000 0.784 126 D CB 0.299 40.987 40.800 -0.186 0.000 1.308 126 D HN 0.373 nan 8.370 nan 0.000 0.429 127 H N -0.742 118.204 119.070 -0.206 0.000 2.519 127 H HA 0.201 4.756 4.556 -0.001 0.000 0.289 127 H C 0.862 176.030 175.328 -0.266 0.000 1.040 127 H CA -0.116 55.712 56.048 -0.366 0.000 1.165 127 H CB 0.551 29.930 29.762 -0.638 0.000 1.462 127 H HN 0.283 nan 8.280 nan 0.000 0.555 128 Q N 0.938 120.732 119.800 -0.010 0.000 2.135 128 Q HA -0.176 4.163 4.340 -0.001 0.000 0.204 128 Q C 1.626 177.620 176.000 -0.010 0.000 0.981 128 Q CA 1.695 57.518 55.803 0.034 0.000 0.856 128 Q CB 0.127 28.873 28.738 0.014 0.000 0.902 128 Q HN 0.682 nan 8.270 nan 0.000 0.425 129 D N 0.777 121.131 120.400 -0.076 0.000 2.091 129 D HA -0.170 4.470 4.640 -0.001 0.000 0.199 129 D C 1.921 178.112 176.300 -0.182 0.000 0.980 129 D CA 1.189 55.126 54.000 -0.104 0.000 0.831 129 D CB -0.629 40.112 40.800 -0.097 0.000 0.987 129 D HN 0.428 nan 8.370 nan 0.000 0.460 130 I N -1.742 118.619 120.570 -0.348 0.000 2.286 130 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 130 I C 2.180 178.084 176.117 -0.354 0.000 1.115 130 I CA 1.073 62.057 61.300 -0.526 0.000 1.392 130 I CB -1.008 36.286 38.000 -1.175 0.000 1.065 130 I HN -0.194 nan 8.210 nan 0.000 0.418 131 Y N 1.676 121.811 120.300 -0.276 0.000 2.352 131 Y HA 0.070 4.619 4.550 -0.002 0.000 0.292 131 Y C 2.747 178.584 175.900 -0.105 0.000 1.136 131 Y CA 0.552 58.550 58.100 -0.170 0.000 1.227 131 Y CB -1.045 37.336 38.460 -0.132 0.000 0.991 131 Y HN 0.292 nan 8.280 nan 0.000 0.545 132 A N -0.502 122.341 122.820 0.038 0.000 2.066 132 A HA 0.112 4.431 4.320 -0.001 0.000 0.218 132 A C 2.183 179.740 177.584 -0.045 0.000 1.157 132 A CA 1.308 53.345 52.037 0.000 0.000 0.670 132 A CB -0.730 18.260 19.000 -0.016 0.000 0.804 132 A HN 0.285 nan 8.150 nan 0.000 0.453 133 A N -1.117 121.645 122.820 -0.096 0.000 2.345 133 A HA 0.250 4.569 4.320 -0.001 0.000 0.225 133 A C 1.791 179.284 177.584 -0.151 0.000 1.243 133 A CA 0.323 52.256 52.037 -0.174 0.000 0.875 133 A CB -0.437 18.412 19.000 -0.252 0.000 0.929 133 A HN 0.460 nan 8.150 nan 0.000 0.502 134 R N 0.599 121.077 120.500 -0.037 0.000 2.119 134 R HA -0.209 4.130 4.340 -0.001 0.000 0.246 134 R C 1.921 178.209 176.300 -0.019 0.000 1.146 134 R CA 2.002 58.133 56.100 0.052 0.000 0.962 134 R CB 0.011 30.393 30.300 0.137 0.000 0.863 134 R HN 0.723 nan 8.270 nan 0.000 0.442 135 Q N -0.321 119.438 119.800 -0.068 0.000 2.360 135 Q HA -0.029 4.311 4.340 -0.001 0.000 0.202 135 Q C 1.183 177.048 176.000 -0.224 0.000 0.915 135 Q CA 1.225 56.982 55.803 -0.076 0.000 0.943 135 Q CB 0.190 28.937 28.738 0.015 0.000 1.064 135 Q HN 0.325 nan 8.270 nan 0.000 0.511 136 T N -3.119 111.178 114.554 -0.429 0.000 3.072 136 T HA 0.210 4.559 4.350 -0.001 0.000 0.266 136 T C 1.430 175.959 174.700 -0.284 0.000 1.127 136 T CA 1.104 62.740 62.100 -0.773 0.000 1.107 136 T CB -0.197 68.238 68.868 -0.722 0.000 0.910 136 T HN 0.557 nan 8.240 nan 0.000 0.513 137 G N 0.201 108.946 108.800 -0.091 0.000 2.176 137 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.232 137 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.232 137 G C -0.151 174.859 174.900 0.182 0.000 0.986 137 G CA -0.270 44.851 45.100 0.036 0.000 0.643 137 G HN 0.487 nan 8.290 nan 0.000 0.522 138 F N 1.849 121.708 119.950 -0.153 0.000 2.418 138 F HA 0.664 5.190 4.527 -0.002 0.000 0.341 138 F C 1.048 176.723 175.800 -0.208 0.000 1.120 138 F CA -0.187 57.684 58.000 -0.215 0.000 1.232 138 F CB 1.149 39.977 39.000 -0.286 0.000 1.175 138 F HN 0.336 nan 8.300 nan 0.000 0.569 139 A N 4.553 127.157 122.820 -0.359 0.000 2.322 139 A HA 0.690 5.009 4.320 -0.001 0.000 0.269 139 A C -0.533 176.900 177.584 -0.253 0.000 1.094 139 A CA -0.497 51.216 52.037 -0.540 0.000 0.807 139 A CB 0.294 18.363 19.000 -1.553 0.000 1.047 139 A HN 0.756 nan 8.150 nan 0.000 0.487 140 M N 2.492 122.086 119.600 -0.012 0.000 2.204 140 M HA 0.402 4.881 4.480 -0.001 0.000 0.293 140 M C -1.238 175.254 176.300 0.320 0.000 0.994 140 M CA 0.092 55.571 55.300 0.298 0.000 0.925 140 M CB 1.800 34.667 32.600 0.445 0.000 1.577 140 M HN 0.549 nan 8.290 nan 0.000 0.439 141 L N 2.864 124.260 121.223 0.289 0.000 2.372 141 L HA 0.774 5.113 4.340 -0.001 0.000 0.273 141 L C -0.500 176.226 176.870 -0.240 0.000 0.989 141 L CA -0.380 54.524 54.840 0.107 0.000 0.841 141 L CB 1.536 43.744 42.059 0.247 0.000 1.225 141 L HN 0.899 nan 8.230 nan 0.000 0.414 142 A N 3.306 125.833 122.820 -0.487 0.000 2.304 142 A HA 0.725 5.044 4.320 -0.001 0.000 0.271 142 A C -0.212 177.176 177.584 -0.326 0.000 1.091 142 A CA -0.215 51.307 52.037 -0.859 0.000 0.812 142 A CB 1.021 19.607 19.000 -0.690 0.000 1.056 142 A HN 0.657 nan 8.150 nan 0.000 0.489 143 S N -0.558 115.003 115.700 -0.232 0.000 2.526 143 S HA 0.506 4.975 4.470 -0.001 0.000 0.293 143 S C 0.579 175.206 174.600 0.046 0.000 1.092 143 S CA -0.016 58.176 58.200 -0.014 0.000 0.980 143 S CB 1.755 65.034 63.200 0.133 0.000 1.048 143 S HN 0.971 nan 8.310 nan 0.000 0.483 144 S N 0.246 115.992 115.700 0.076 0.000 2.603 144 S HA 0.373 4.842 4.470 -0.001 0.000 0.232 144 S C 0.258 174.936 174.600 0.130 0.000 1.016 144 S CA -0.333 57.943 58.200 0.126 0.000 0.976 144 S CB -0.036 63.243 63.200 0.132 0.000 0.921 144 S HN 0.747 nan 8.310 nan 0.000 0.516 145 S N -0.662 115.103 115.700 0.108 0.000 2.615 145 S HA 0.531 5.000 4.470 -0.001 0.000 0.269 145 S C 0.604 175.239 174.600 0.058 0.000 1.161 145 S CA -0.449 57.808 58.200 0.095 0.000 0.817 145 S CB 0.834 64.090 63.200 0.092 0.000 1.131 145 S HN -0.066 nan 8.310 nan 0.000 0.467 146 V N 1.116 121.062 119.914 0.054 0.000 2.332 146 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 146 V C 2.877 178.989 176.094 0.031 0.000 1.055 146 V CA 2.630 64.943 62.300 0.022 0.000 1.038 146 V CB -1.083 30.768 31.823 0.047 0.000 0.651 146 V HN 0.980 nan 8.190 nan 0.000 0.450 147 Q N 0.372 120.211 119.800 0.065 0.000 2.119 147 Q HA -0.185 4.154 4.340 -0.001 0.000 0.201 147 Q C 2.084 178.164 176.000 0.134 0.000 0.972 147 Q CA 1.835 57.693 55.803 0.091 0.000 0.847 147 Q CB -0.277 28.517 28.738 0.094 0.000 0.903 147 Q HN 0.694 nan 8.270 nan 0.000 0.433 148 E N -0.745 119.522 120.200 0.112 0.000 2.208 148 E HA -0.071 4.279 4.350 -0.001 0.000 0.193 148 E C 1.722 178.328 176.600 0.010 0.000 0.988 148 E CA 0.576 57.017 56.400 0.069 0.000 0.828 148 E CB -0.051 29.674 29.700 0.041 0.000 0.763 148 E HN 0.497 nan 8.360 nan 0.000 0.478 149 A N 1.324 124.145 122.820 0.000 0.000 1.930 149 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 149 A C 2.037 179.571 177.584 -0.084 0.000 1.175 149 A CA 1.417 53.425 52.037 -0.048 0.000 0.627 149 A CB -0.606 18.163 19.000 -0.385 0.000 0.815 149 A HN 0.331 nan 8.150 nan 0.000 0.443 150 H N 0.585 119.608 119.070 -0.078 0.000 2.299 150 H HA -0.126 4.429 4.556 -0.001 0.000 0.302 150 H C 1.223 176.524 175.328 -0.045 0.000 1.078 150 H CA 1.947 57.969 56.048 -0.043 0.000 1.323 150 H CB -0.241 29.508 29.762 -0.022 0.000 1.381 150 H HN 0.393 nan 8.280 nan 0.000 0.498 151 D N 0.556 121.035 120.400 0.131 0.000 2.117 151 D HA -0.121 4.518 4.640 -0.001 0.000 0.198 151 D C 2.359 178.578 176.300 -0.135 0.000 0.982 151 D CA 0.770 54.827 54.000 0.095 0.000 0.828 151 D CB -0.156 40.801 40.800 0.262 0.000 0.967 151 D HN 0.337 nan 8.370 nan 0.000 0.464 152 M N 0.513 119.968 119.600 -0.243 0.000 2.319 152 M HA 0.089 4.568 4.480 -0.001 0.000 0.265 152 M C 2.157 178.179 176.300 -0.464 0.000 1.068 152 M CA 0.421 55.536 55.300 -0.308 0.000 1.118 152 M CB -1.024 31.459 32.600 -0.195 0.000 1.395 152 M HN -0.023 nan 8.290 nan 0.000 0.435 153 A N 0.176 122.635 122.820 -0.602 0.000 1.930 153 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 153 A C 2.300 179.823 177.584 -0.102 0.000 1.175 153 A CA 0.998 52.803 52.037 -0.386 0.000 0.627 153 A CB -0.749 18.098 19.000 -0.254 0.000 0.815 153 A HN 0.438 nan 8.150 nan 0.000 0.443 154 L N -0.136 120.965 121.223 -0.203 0.000 2.027 154 L HA -0.129 4.210 4.340 -0.001 0.000 0.206 154 L C 2.465 179.238 176.870 -0.162 0.000 1.074 154 L CA 1.461 56.205 54.840 -0.161 0.000 0.745 154 L CB -0.284 41.680 42.059 -0.159 0.000 0.898 154 L HN 0.275 nan 8.230 nan 0.000 0.433 155 V N 0.168 119.984 119.914 -0.164 0.000 2.343 155 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 155 V C 2.799 178.661 176.094 -0.387 0.000 1.051 155 V CA 1.626 63.816 62.300 -0.183 0.000 1.036 155 V CB -1.002 30.768 31.823 -0.089 0.000 0.654 155 V HN 0.555 nan 8.190 nan 0.000 0.451 156 A N -0.983 121.598 122.820 -0.399 0.000 1.865 156 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 156 A C 2.176 179.333 177.584 -0.712 0.000 1.191 156 A CA 1.981 53.611 52.037 -0.679 0.000 0.623 156 A CB -0.857 17.964 19.000 -0.299 0.000 0.826 156 A HN 0.650 nan 8.150 nan 0.000 0.444 157 H N -0.400 118.427 119.070 -0.405 0.000 2.321 157 H HA -0.065 4.490 4.556 -0.001 0.000 0.300 157 H C 2.166 177.234 175.328 -0.433 0.000 1.087 157 H CA 1.873 57.725 56.048 -0.326 0.000 1.319 157 H CB -0.287 29.357 29.762 -0.196 0.000 1.379 157 H HN 0.403 nan 8.280 nan 0.000 0.501 158 L N 0.033 121.015 121.223 -0.402 0.000 2.046 158 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 158 L C 2.872 179.215 176.870 -0.879 0.000 1.077 158 L CA 1.035 55.441 54.840 -0.724 0.000 0.747 158 L CB -0.408 41.027 42.059 -1.041 0.000 0.896 158 L HN 0.219 nan 8.230 nan 0.000 0.432 159 A N -0.381 121.974 122.820 -0.776 0.000 1.970 159 A HA 0.010 4.329 4.320 -0.001 0.000 0.216 159 A C 2.504 179.898 177.584 -0.317 0.000 1.170 159 A CA 1.234 53.009 52.037 -0.437 0.000 0.645 159 A CB -0.489 18.262 19.000 -0.416 0.000 0.816 159 A HN 0.367 nan 8.150 nan 0.000 0.447 160 A N 0.251 122.776 122.820 -0.491 0.000 1.902 160 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 160 A C 2.069 179.535 177.584 -0.197 0.000 1.181 160 A CA 1.480 53.395 52.037 -0.203 0.000 0.623 160 A CB -0.588 18.269 19.000 -0.239 0.000 0.818 160 A HN 0.480 nan 8.150 nan 0.000 0.443 161 I N -0.791 119.635 120.570 -0.240 0.000 2.226 161 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 161 I C 2.593 178.651 176.117 -0.097 0.000 1.100 161 I CA 1.813 62.990 61.300 -0.204 0.000 1.374 161 I CB -0.271 37.632 38.000 -0.161 0.000 1.057 161 I HN 0.491 nan 8.210 nan 0.000 0.413 162 E N 0.612 120.782 120.200 -0.051 0.000 2.072 162 E HA -0.188 4.161 4.350 -0.001 0.000 0.190 162 E C 2.222 178.865 176.600 0.072 0.000 0.982 162 E CA 1.535 57.969 56.400 0.058 0.000 0.803 162 E CB 0.123 29.936 29.700 0.189 0.000 0.755 162 E HN 0.487 nan 8.360 nan 0.000 0.453 163 S N -0.677 115.063 115.700 0.066 0.000 2.501 163 S HA 0.026 4.495 4.470 -0.001 0.000 0.220 163 S C 0.668 175.312 174.600 0.074 0.000 0.997 163 S CA 0.674 58.929 58.200 0.093 0.000 0.919 163 S CB -0.097 63.166 63.200 0.106 0.000 0.778 163 S HN 0.443 nan 8.310 nan 0.000 0.523 164 N N -0.671 118.013 118.700 -0.027 0.000 2.850 164 N HA -0.121 4.618 4.740 -0.001 0.000 0.249 164 N C -1.123 174.248 175.510 -0.232 0.000 1.060 164 N CA 0.630 53.604 53.050 -0.126 0.000 0.825 164 N CB -1.382 37.032 38.487 -0.121 0.000 1.132 164 N HN 0.328 nan 8.380 nan 0.000 0.564 165 V N 1.554 121.338 119.914 -0.217 0.000 2.370 165 V HA 0.399 4.518 4.120 -0.001 0.000 0.283 165 V C -1.815 174.079 176.094 -0.334 0.000 1.023 165 V CA -1.498 60.575 62.300 -0.380 0.000 0.857 165 V CB 1.567 33.056 31.823 -0.557 0.000 0.985 165 V HN -0.051 nan 8.190 nan 0.000 0.443 166 P HA 0.130 nan 4.420 nan 0.000 0.267 166 P C -1.051 175.761 177.300 -0.814 0.000 1.200 166 P CA 0.117 62.747 63.100 -0.785 0.000 0.772 166 P CB 0.603 31.471 31.700 -1.388 0.000 0.855 167 F N 1.479 121.037 119.950 -0.654 0.000 2.538 167 F HA 0.556 5.082 4.527 -0.001 0.000 0.325 167 F C 0.762 176.522 175.800 -0.066 0.000 1.066 167 F CA -0.839 56.975 58.000 -0.311 0.000 0.946 167 F CB 2.061 40.927 39.000 -0.224 0.000 1.199 167 F HN 0.171 nan 8.300 nan 0.000 0.473 168 M N 4.140 123.936 119.600 0.326 0.000 2.022 168 M HA 0.342 4.821 4.480 -0.001 0.000 0.298 168 M C -1.833 174.723 176.300 0.427 0.000 0.909 168 M CA -0.584 54.940 55.300 0.373 0.000 0.914 168 M CB 0.621 33.418 32.600 0.329 0.000 1.486 168 M HN 0.719 nan 8.290 nan 0.000 0.415 169 H N 5.759 124.970 119.070 0.235 0.000 2.668 169 H HA 0.567 5.122 4.556 -0.001 0.000 0.303 169 H C -1.813 173.736 175.328 0.369 0.000 1.074 169 H CA -0.210 55.984 56.048 0.243 0.000 1.406 169 H CB 0.451 30.345 29.762 0.221 0.000 1.442 169 H HN 0.578 nan 8.280 nan 0.000 0.482 170 F N 4.126 123.965 119.950 -0.185 0.000 2.593 170 F HA 0.704 5.230 4.527 -0.001 0.000 0.320 170 F C -1.945 173.783 175.800 -0.121 0.000 1.060 170 F CA -1.683 56.158 58.000 -0.265 0.000 0.940 170 F CB 1.098 39.965 39.000 -0.221 0.000 1.268 170 F HN 0.369 nan 8.300 nan 0.000 0.475 171 F N -1.164 118.735 119.950 -0.085 0.000 2.654 171 F HA 0.497 5.023 4.527 -0.001 0.000 0.308 171 F C -1.150 174.736 175.800 0.143 0.000 1.108 171 F CA -1.661 56.326 58.000 -0.022 0.000 0.957 171 F CB 0.510 39.490 39.000 -0.033 0.000 1.309 171 F HN 0.379 nan 8.300 nan 0.000 0.446 172 D N 1.607 122.186 120.400 0.299 0.000 2.493 172 D HA 0.270 4.909 4.640 -0.001 0.000 0.240 172 D C 0.577 176.977 176.300 0.166 0.000 1.142 172 D CA 0.665 54.801 54.000 0.226 0.000 0.872 172 D CB 1.125 42.067 40.800 0.236 0.000 1.173 172 D HN 1.009 nan 8.370 nan 0.000 0.467 173 G N 1.411 110.264 108.800 0.088 0.000 2.313 173 G HA2 0.202 4.161 3.960 -0.001 0.000 0.250 173 G HA3 0.202 4.161 3.960 -0.001 0.000 0.250 173 G C 0.434 175.486 174.900 0.253 0.000 1.281 173 G CA -0.178 44.946 45.100 0.040 0.000 0.917 173 G HN 0.489 nan 8.290 nan 0.000 0.501 174 F N -0.113 119.972 119.950 0.225 0.000 2.555 174 F HA -0.310 4.216 4.527 -0.001 0.000 0.693 174 F C 2.404 178.490 175.800 0.478 0.000 0.487 174 F CA 1.985 60.161 58.000 0.293 0.000 0.748 174 F CB -0.997 38.163 39.000 0.266 0.000 1.624 174 F HN 0.479 nan 8.300 nan 0.000 0.266 175 R N 0.513 121.329 120.500 0.527 0.000 2.117 175 R HA -0.103 4.236 4.340 -0.001 0.000 0.243 175 R C 1.725 178.202 176.300 0.295 0.000 1.143 175 R CA 2.348 58.630 56.100 0.304 0.000 0.968 175 R CB -0.938 29.477 30.300 0.193 0.000 0.863 175 R HN 0.631 nan 8.270 nan 0.000 0.444 176 T N -1.331 113.438 114.554 0.358 0.000 3.058 176 T HA -0.009 4.340 4.350 -0.001 0.000 0.247 176 T C 1.602 176.539 174.700 0.396 0.000 0.987 176 T CA 0.682 62.989 62.100 0.346 0.000 1.062 176 T CB 0.060 69.155 68.868 0.380 0.000 1.048 176 T HN 0.375 nan 8.240 nan 0.000 0.468 177 S N 1.324 117.338 115.700 0.524 0.000 2.419 177 S HA -0.148 4.321 4.470 -0.001 0.000 0.233 177 S C 1.362 176.135 174.600 0.289 0.000 1.016 177 S CA 1.327 59.829 58.200 0.504 0.000 0.974 177 S CB -0.415 63.060 63.200 0.460 0.000 0.786 177 S HN 0.564 nan 8.310 nan 0.000 0.492 178 H N 0.368 119.589 119.070 0.251 0.000 2.784 178 H HA 0.471 5.026 4.556 -0.001 0.000 0.273 178 H C -0.021 175.493 175.328 0.309 0.000 1.112 178 H CA -0.379 55.827 56.048 0.262 0.000 1.162 178 H CB 0.325 30.285 29.762 0.330 0.000 1.586 178 H HN 0.574 nan 8.280 nan 0.000 0.548 179 E N 1.756 122.205 120.200 0.415 0.000 2.259 179 E HA 0.214 4.563 4.350 -0.001 0.000 0.281 179 E C -0.429 176.286 176.600 0.191 0.000 1.027 179 E CA -0.718 55.886 56.400 0.341 0.000 0.838 179 E CB 0.851 30.712 29.700 0.268 0.000 1.066 179 E HN 0.360 nan 8.360 nan 0.000 0.401 180 I N 2.618 123.269 120.570 0.135 0.000 2.437 180 I HA 0.393 4.562 4.170 -0.001 0.000 0.298 180 I C -0.947 175.205 176.117 0.059 0.000 0.984 180 I CA -0.214 61.147 61.300 0.101 0.000 1.214 180 I CB 1.473 39.548 38.000 0.126 0.000 1.365 180 I HN 0.542 nan 8.210 nan 0.000 0.469 181 Q N 4.880 124.718 119.800 0.062 0.000 2.377 181 Q HA 0.345 4.684 4.340 -0.001 0.000 0.279 181 Q C -1.440 174.602 176.000 0.070 0.000 1.049 181 Q CA -0.849 54.990 55.803 0.060 0.000 0.825 181 Q CB 1.794 30.570 28.738 0.063 0.000 1.401 181 Q HN 0.674 nan 8.270 nan 0.000 0.404 182 K N 4.670 125.126 120.400 0.093 0.000 2.310 182 K HA 0.334 4.653 4.320 -0.001 0.000 0.290 182 K C -0.514 176.141 176.600 0.091 0.000 1.077 182 K CA -0.018 56.316 56.287 0.078 0.000 0.922 182 K CB -0.212 32.327 32.500 0.065 0.000 1.057 182 K HN 0.654 nan 8.250 nan 0.000 0.479 183 I N -0.672 119.920 120.570 0.037 0.000 3.617 183 I HA 0.562 4.731 4.170 -0.001 0.000 0.283 183 I C -1.038 175.051 176.117 -0.047 0.000 1.160 183 I CA -1.027 60.282 61.300 0.016 0.000 1.084 183 I CB 1.857 39.856 38.000 -0.002 0.000 1.365 183 I HN 0.486 nan 8.210 nan 0.000 0.494 184 E N 1.335 121.473 120.200 -0.103 0.000 2.263 184 E HA 0.557 4.906 4.350 -0.001 0.000 0.268 184 E C -1.639 174.747 176.600 -0.357 0.000 0.884 184 E CA -0.797 55.505 56.400 -0.163 0.000 0.766 184 E CB 2.734 32.374 29.700 -0.100 0.000 1.196 184 E HN 0.653 nan 8.360 nan 0.000 0.416 185 V N 1.846 121.532 119.914 -0.379 0.000 2.815 185 V HA 0.614 4.733 4.120 -0.001 0.000 0.314 185 V C -0.323 175.634 176.094 -0.229 0.000 1.064 185 V CA -0.922 61.029 62.300 -0.580 0.000 0.952 185 V CB 1.455 32.941 31.823 -0.563 0.000 1.020 185 V HN 0.655 nan 8.190 nan 0.000 0.439 186 L N 1.440 122.686 121.223 0.038 0.000 2.439 186 L HA 0.525 4.864 4.340 -0.001 0.000 0.259 186 L C 0.060 177.109 176.870 0.298 0.000 1.129 186 L CA -0.513 54.436 54.840 0.181 0.000 0.803 186 L CB 1.063 43.278 42.059 0.259 0.000 1.161 186 L HN 0.707 nan 8.230 nan 0.000 0.462 187 D N -0.585 119.928 120.400 0.188 0.000 2.283 187 D HA 0.075 4.714 4.640 -0.001 0.000 0.248 187 D C 0.702 177.151 176.300 0.248 0.000 1.072 187 D CA -0.222 53.880 54.000 0.170 0.000 0.929 187 D CB 1.015 41.853 40.800 0.063 0.000 1.182 187 D HN 0.250 nan 8.370 nan 0.000 0.433 188 Y N 1.124 121.400 120.300 -0.040 0.000 2.193 188 Y HA -0.215 4.334 4.550 -0.001 0.000 0.285 188 Y C 2.297 178.151 175.900 -0.075 0.000 1.166 188 Y CA 0.974 59.020 58.100 -0.091 0.000 1.181 188 Y CB -1.112 37.271 38.460 -0.128 0.000 0.976 188 Y HN 0.476 nan 8.280 nan 0.000 0.520 189 A N 0.115 122.996 122.820 0.102 0.000 1.933 189 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 189 A C 1.863 179.461 177.584 0.024 0.000 1.175 189 A CA 1.938 53.996 52.037 0.035 0.000 0.628 189 A CB -0.804 18.212 19.000 0.025 0.000 0.814 189 A HN 0.423 nan 8.150 nan 0.000 0.444 190 D N -0.568 119.860 120.400 0.048 0.000 2.178 190 D HA -0.096 4.543 4.640 -0.001 0.000 0.202 190 D C 1.990 178.309 176.300 0.031 0.000 0.974 190 D CA 1.321 55.348 54.000 0.046 0.000 0.841 190 D CB -0.232 40.609 40.800 0.068 0.000 0.953 190 D HN 0.478 nan 8.370 nan 0.000 0.478 191 M N 0.349 119.959 119.600 0.016 0.000 2.123 191 M HA -0.027 4.452 4.480 -0.001 0.000 0.263 191 M C 2.338 178.589 176.300 -0.082 0.000 1.069 191 M CA 1.161 56.436 55.300 -0.043 0.000 1.133 191 M CB -0.209 32.326 32.600 -0.109 0.000 1.356 191 M HN 0.024 nan 8.290 nan 0.000 0.415 192 A N 0.556 123.317 122.820 -0.098 0.000 2.024 192 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 192 A C 2.272 179.819 177.584 -0.062 0.000 1.164 192 A CA 2.133 54.093 52.037 -0.128 0.000 0.643 192 A CB -0.888 18.029 19.000 -0.138 0.000 0.806 192 A HN 0.609 nan 8.150 nan 0.000 0.451 193 S N -1.163 114.524 115.700 -0.021 0.000 2.461 193 S HA 0.035 4.504 4.470 -0.001 0.000 0.228 193 S C 1.416 176.035 174.600 0.031 0.000 1.005 193 S CA 0.940 59.145 58.200 0.009 0.000 0.942 193 S CB -0.232 62.979 63.200 0.018 0.000 0.776 193 S HN 0.209 nan 8.310 nan 0.000 0.514 194 L N 1.826 123.071 121.223 0.036 0.000 2.418 194 L HA 0.350 4.690 4.340 -0.001 0.000 0.218 194 L C 0.625 177.560 176.870 0.109 0.000 1.125 194 L CA 0.042 54.939 54.840 0.096 0.000 0.835 194 L CB -0.936 41.188 42.059 0.109 0.000 0.953 194 L HN 0.186 nan 8.230 nan 0.000 0.454 195 V N 1.560 121.490 119.914 0.027 0.000 2.599 195 V HA -0.043 4.076 4.120 -0.001 0.000 0.300 195 V C 0.961 177.100 176.094 0.075 0.000 1.034 195 V CA -0.222 62.088 62.300 0.016 0.000 1.115 195 V CB 0.389 32.206 31.823 -0.009 0.000 0.934 195 V HN 0.348 nan 8.190 nan 0.000 0.485 196 N N 5.126 123.884 118.700 0.097 0.000 2.466 196 N HA 0.033 4.772 4.740 -0.001 0.000 0.263 196 N C 1.223 176.788 175.510 0.091 0.000 1.178 196 N CA -0.121 52.995 53.050 0.111 0.000 0.983 196 N CB 0.878 39.450 38.487 0.143 0.000 1.331 196 N HN 0.603 nan 8.380 nan 0.000 0.500 197 Q N 2.452 122.304 119.800 0.087 0.000 2.248 197 Q HA -0.195 4.144 4.340 -0.001 0.000 0.208 197 Q C 1.026 177.078 176.000 0.086 0.000 0.984 197 Q CA 1.541 57.400 55.803 0.092 0.000 0.875 197 Q CB 0.041 28.828 28.738 0.081 0.000 0.910 197 Q HN 0.557 nan 8.270 nan 0.000 0.433 198 K N 0.658 121.103 120.400 0.073 0.000 2.025 198 K HA -0.036 4.283 4.320 -0.001 0.000 0.207 198 K C 2.138 178.784 176.600 0.078 0.000 1.049 198 K CA 1.246 57.572 56.287 0.065 0.000 0.933 198 K CB -0.316 32.215 32.500 0.053 0.000 0.714 198 K HN 0.184 nan 8.250 nan 0.000 0.438 199 A N 0.954 123.825 122.820 0.085 0.000 1.933 199 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 199 A C 2.097 179.758 177.584 0.127 0.000 1.175 199 A CA 1.174 53.268 52.037 0.094 0.000 0.628 199 A CB -0.514 18.534 19.000 0.078 0.000 0.814 199 A HN 0.208 nan 8.150 nan 0.000 0.444 200 L N -0.390 120.912 121.223 0.131 0.000 2.056 200 L HA 0.011 4.350 4.340 -0.001 0.000 0.207 200 L C 2.678 179.656 176.870 0.181 0.000 1.078 200 L CA 2.047 56.999 54.840 0.187 0.000 0.749 200 L CB -0.799 41.368 42.059 0.181 0.000 0.901 200 L HN 0.334 nan 8.230 nan 0.000 0.433 201 A N -1.242 121.647 122.820 0.114 0.000 1.969 201 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 201 A C 2.207 179.826 177.584 0.058 0.000 1.169 201 A CA 1.514 53.592 52.037 0.067 0.000 0.635 201 A CB -0.503 18.525 19.000 0.047 0.000 0.810 201 A HN 0.545 nan 8.150 nan 0.000 0.445 202 E N -1.350 118.902 120.200 0.087 0.000 2.106 202 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 202 E C 1.666 178.336 176.600 0.117 0.000 0.984 202 E CA 1.118 57.565 56.400 0.078 0.000 0.806 202 E CB -0.221 29.531 29.700 0.087 0.000 0.750 202 E HN 0.674 nan 8.360 nan 0.000 0.458 203 F N 1.661 121.614 119.950 0.004 0.000 2.102 203 F HA -0.151 4.375 4.527 -0.001 0.000 0.298 203 F C 2.155 177.959 175.800 0.005 0.000 1.105 203 F CA 1.464 59.465 58.000 0.001 0.000 1.239 203 F CB -0.156 38.845 39.000 0.002 0.000 0.991 203 F HN -0.206 nan 8.300 nan 0.000 0.474 204 R N 0.372 120.743 120.500 -0.215 0.000 2.096 204 R HA -0.054 4.286 4.340 -0.001 0.000 0.235 204 R C 2.409 178.610 176.300 -0.165 0.000 1.127 204 R CA 1.491 57.408 56.100 -0.304 0.000 0.968 204 R CB -1.011 29.207 30.300 -0.138 0.000 0.861 204 R HN 0.398 nan 8.270 nan 0.000 0.440 205 A N 0.931 123.693 122.820 -0.097 0.000 2.016 205 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 205 A C 1.662 179.196 177.584 -0.083 0.000 1.162 205 A CA 1.334 53.307 52.037 -0.107 0.000 0.662 205 A CB -0.268 18.657 19.000 -0.125 0.000 0.812 205 A HN 0.418 nan 8.150 nan 0.000 0.450 206 K N -0.567 119.798 120.400 -0.059 0.000 2.426 206 K HA 0.227 4.546 4.320 -0.001 0.000 0.193 206 K C 0.342 176.934 176.600 -0.013 0.000 1.028 206 K CA 0.346 56.603 56.287 -0.050 0.000 1.047 206 K CB 0.064 32.540 32.500 -0.041 0.000 0.821 206 K HN 0.169 nan 8.250 nan 0.000 0.513 207 S N 1.381 117.071 115.700 -0.017 0.000 2.600 207 S HA 0.159 4.628 4.470 -0.001 0.000 0.265 207 S C 0.204 174.900 174.600 0.159 0.000 1.325 207 S CA -0.585 57.617 58.200 0.004 0.000 1.002 207 S CB 0.439 63.511 63.200 -0.213 0.000 0.921 207 S HN 0.221 nan 8.310 nan 0.000 0.554 208 M N 3.215 122.886 119.600 0.119 0.000 2.269 208 M HA 0.093 4.572 4.480 -0.001 0.000 0.350 208 M C 0.199 176.421 176.300 -0.130 0.000 1.429 208 M CA 0.708 56.003 55.300 -0.008 0.000 1.063 208 M CB -0.196 32.353 32.600 -0.086 0.000 1.841 208 M HN 0.495 nan 8.290 nan 0.000 0.455 209 N N 5.027 123.586 118.700 -0.235 0.000 2.554 209 N HA 0.238 4.977 4.740 -0.001 0.000 0.271 209 N C -2.509 172.801 175.510 -0.332 0.000 1.081 209 N CA -0.959 51.869 53.050 -0.369 0.000 0.994 209 N CB 2.503 40.587 38.487 -0.672 0.000 1.641 209 N HN 0.245 nan 8.380 nan 0.000 0.511 210 P HA 0.007 nan 4.420 nan 0.000 0.234 210 P C 0.394 177.613 177.300 -0.135 0.000 1.167 210 P CA 0.900 63.909 63.100 -0.151 0.000 0.763 210 P CB 0.608 32.241 31.700 -0.111 0.000 0.835 211 E N -0.328 119.752 120.200 -0.201 0.000 2.478 211 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 211 E C 0.623 177.223 176.600 0.000 0.000 1.045 211 E CA 0.261 56.602 56.400 -0.099 0.000 0.868 211 E CB -0.030 29.634 29.700 -0.060 0.000 0.885 211 E HN 0.541 nan 8.360 nan 0.000 0.505 212 H N -2.039 117.030 119.070 -0.002 0.000 2.922 212 H HA 0.221 4.776 4.556 -0.001 0.000 0.219 212 H C -3.003 172.350 175.328 0.042 0.000 1.356 212 H CA -1.700 54.358 56.048 0.016 0.000 1.424 212 H CB -0.213 29.558 29.762 0.015 0.000 2.045 212 H HN -0.059 nan 8.280 nan 0.000 0.595 213 P HA 0.164 nan 4.420 nan 0.000 0.274 213 P C -0.229 177.137 177.300 0.110 0.000 1.246 213 P CA 0.357 63.460 63.100 0.006 0.000 0.795 213 P CB 1.692 33.361 31.700 -0.052 0.000 1.006 214 H N -1.389 117.689 119.070 0.012 0.000 2.990 214 H HA 0.480 5.035 4.556 -0.001 0.000 0.336 214 H C -1.583 173.751 175.328 0.011 0.000 1.306 214 H CA -1.077 54.983 56.048 0.020 0.000 1.118 214 H CB 1.397 31.179 29.762 0.034 0.000 1.856 214 H HN 0.317 nan 8.280 nan 0.000 0.538 215 V N 1.795 121.766 119.914 0.096 0.000 2.435 215 V HA 0.615 4.735 4.120 -0.001 0.000 0.290 215 V C -0.141 176.039 176.094 0.143 0.000 1.030 215 V CA -0.653 61.663 62.300 0.026 0.000 0.881 215 V CB 1.174 33.008 31.823 0.019 0.000 0.983 215 V HN 1.020 nan 8.190 nan 0.000 0.445 216 R N 4.377 124.930 120.500 0.088 0.000 2.803 216 R HA 0.800 5.140 4.340 -0.001 0.000 0.276 216 R C 0.325 176.682 176.300 0.095 0.000 0.978 216 R CA -0.235 55.955 56.100 0.150 0.000 0.939 216 R CB 1.778 32.211 30.300 0.222 0.000 1.179 216 R HN 2.012 nan 8.270 nan 0.000 0.472 217 G N 1.640 110.507 108.800 0.112 0.000 2.341 217 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.278 217 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.278 217 G C 0.023 174.969 174.900 0.077 0.000 1.111 217 G CA 0.329 45.490 45.100 0.101 0.000 0.982 217 G HN 1.075 nan 8.290 nan 0.000 0.502 218 T N -2.087 112.515 114.554 0.080 0.000 2.816 218 T HA 0.793 5.142 4.350 -0.001 0.000 0.282 218 T C 0.592 175.334 174.700 0.071 0.000 0.993 218 T CA 0.362 62.502 62.100 0.067 0.000 0.994 218 T CB 2.097 71.006 68.868 0.068 0.000 1.025 218 T HN 1.848 nan 8.240 nan 0.000 0.529 219 A N 1.273 124.126 122.820 0.056 0.000 2.292 219 A HA 0.601 4.920 4.320 -0.001 0.000 0.319 219 A C -0.141 177.481 177.584 0.063 0.000 1.206 219 A CA -0.817 51.250 52.037 0.049 0.000 0.835 219 A CB 0.587 19.601 19.000 0.022 0.000 1.164 219 A HN 0.853 nan 8.150 nan 0.000 0.505 220 Q N 1.504 121.355 119.800 0.085 0.000 2.365 220 Q HA 0.334 4.673 4.340 -0.001 0.000 0.269 220 Q C -0.650 175.389 176.000 0.066 0.000 1.061 220 Q CA -0.572 55.298 55.803 0.112 0.000 0.816 220 Q CB 2.068 30.938 28.738 0.220 0.000 1.325 220 Q HN 0.921 nan 8.270 nan 0.000 0.446 221 N N 1.277 120.017 118.700 0.067 0.000 2.405 221 N HA 0.180 4.919 4.740 -0.001 0.000 0.269 221 N C -1.904 173.652 175.510 0.077 0.000 1.249 221 N CA -1.312 51.762 53.050 0.041 0.000 0.974 221 N CB 0.431 38.940 38.487 0.037 0.000 1.204 221 N HN 0.297 nan 8.380 nan 0.000 0.565 222 P HA -0.186 nan 4.420 nan 0.000 0.216 222 P C 0.389 177.763 177.300 0.123 0.000 1.150 222 P CA 1.222 64.375 63.100 0.089 0.000 0.843 222 P CB -0.010 31.722 31.700 0.054 0.000 0.787 223 D N 0.317 120.771 120.400 0.090 0.000 2.133 223 D HA -0.202 4.437 4.640 -0.001 0.000 0.195 223 D C 1.644 177.999 176.300 0.092 0.000 0.997 223 D CA 1.722 55.769 54.000 0.078 0.000 0.840 223 D CB -1.241 39.591 40.800 0.054 0.000 0.947 223 D HN 0.369 nan 8.370 nan 0.000 0.452 224 I N -4.939 115.702 120.570 0.118 0.000 4.338 224 I HA 0.304 4.473 4.170 -0.001 0.000 0.329 224 I C 1.577 177.792 176.117 0.164 0.000 1.378 224 I CA -0.711 60.657 61.300 0.114 0.000 1.170 224 I CB -0.044 38.004 38.000 0.080 0.000 1.206 224 I HN -0.145 nan 8.210 nan 0.000 0.432 225 Y N 1.585 121.939 120.300 0.090 0.000 2.200 225 Y HA -0.197 4.352 4.550 -0.001 0.000 0.290 225 Y C 2.265 178.269 175.900 0.172 0.000 1.137 225 Y CA 1.939 60.097 58.100 0.098 0.000 1.163 225 Y CB -0.205 38.292 38.460 0.063 0.000 0.988 225 Y HN 0.257 nan 8.280 nan 0.000 0.518 226 F N 1.426 121.431 119.950 0.090 0.000 2.134 226 F HA -0.209 4.317 4.527 -0.002 0.000 0.299 226 F C 2.037 177.792 175.800 -0.075 0.000 1.097 226 F CA 1.959 59.958 58.000 -0.002 0.000 1.264 226 F CB -0.882 38.161 39.000 0.072 0.000 1.001 226 F HN 0.192 nan 8.300 nan 0.000 0.479 227 Q N -0.297 119.547 119.800 0.074 0.000 2.046 227 Q HA -0.028 4.311 4.340 -0.001 0.000 0.200 227 Q C 2.582 178.573 176.000 -0.014 0.000 0.975 227 Q CA 1.683 57.467 55.803 -0.032 0.000 0.836 227 Q CB -1.183 27.532 28.738 -0.038 0.000 0.896 227 Q HN 0.453 nan 8.270 nan 0.000 0.428 228 G N 0.339 109.119 108.800 -0.032 0.000 2.462 228 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.220 228 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.220 228 G C 1.540 176.376 174.900 -0.107 0.000 1.121 228 G CA 0.854 45.917 45.100 -0.061 0.000 0.758 228 G HN 0.148 nan 8.290 nan 0.000 0.559 229 R N 0.452 120.838 120.500 -0.190 0.000 2.090 229 R HA 0.044 4.384 4.340 -0.001 0.000 0.228 229 R C 2.180 178.467 176.300 -0.022 0.000 1.110 229 R CA 1.067 57.056 56.100 -0.183 0.000 0.973 229 R CB -0.140 29.982 30.300 -0.296 0.000 0.869 229 R HN 0.201 nan 8.270 nan 0.000 0.440 230 E N -0.188 120.037 120.200 0.041 0.000 2.435 230 E HA 0.029 4.378 4.350 -0.001 0.000 0.195 230 E C 1.442 178.077 176.600 0.058 0.000 1.029 230 E CA 0.759 57.197 56.400 0.064 0.000 0.865 230 E CB 0.277 30.013 29.700 0.060 0.000 0.833 230 E HN 0.419 nan 8.360 nan 0.000 0.510 231 A N 1.027 123.877 122.820 0.050 0.000 2.121 231 A HA 0.049 4.368 4.320 -0.001 0.000 0.218 231 A C 2.150 179.827 177.584 0.155 0.000 1.154 231 A CA 1.255 53.337 52.037 0.076 0.000 0.679 231 A CB -0.098 18.934 19.000 0.054 0.000 0.795 231 A HN 0.185 nan 8.150 nan 0.000 0.458 232 A N -0.244 122.683 122.820 0.178 0.000 2.251 232 A HA 0.070 4.389 4.320 -0.001 0.000 0.209 232 A C 1.444 179.290 177.584 0.437 0.000 1.187 232 A CA 0.526 52.753 52.037 0.316 0.000 0.823 232 A CB -0.722 18.420 19.000 0.236 0.000 0.846 232 A HN 0.689 nan 8.150 nan 0.000 0.486 233 N N 0.868 119.729 118.700 0.267 0.000 2.091 233 N HA -0.174 4.565 4.740 -0.001 0.000 0.193 233 N C -1.051 174.575 175.510 0.194 0.000 1.021 233 N CA 1.550 54.733 53.050 0.221 0.000 0.862 233 N CB -0.806 37.746 38.487 0.109 0.000 1.018 233 N HN 0.334 nan 8.380 nan 0.000 0.429 234 P HA -0.184 nan 4.420 nan 0.000 0.216 234 P C 0.703 177.910 177.300 -0.155 0.000 1.157 234 P CA 1.313 64.353 63.100 -0.100 0.000 0.880 234 P CB -0.109 31.421 31.700 -0.284 0.000 0.791 235 Y N -2.841 117.463 120.300 0.008 0.000 2.207 235 Y HA -0.204 4.345 4.550 -0.001 0.000 0.287 235 Y C 2.312 178.120 175.900 -0.152 0.000 1.156 235 Y CA 1.335 59.375 58.100 -0.100 0.000 1.182 235 Y CB -1.414 36.926 38.460 -0.199 0.000 0.979 235 Y HN 0.037 nan 8.280 nan 0.000 0.521 236 Y N -1.014 119.365 120.300 0.132 0.000 2.395 236 Y HA -0.083 4.466 4.550 -0.002 0.000 0.293 236 Y C 2.070 177.989 175.900 0.032 0.000 1.123 236 Y CA 0.716 58.850 58.100 0.057 0.000 1.227 236 Y CB -0.390 38.092 38.460 0.037 0.000 1.012 236 Y HN 0.074 nan 8.280 nan 0.000 0.552 237 L N -0.403 120.909 121.223 0.148 0.000 2.156 237 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 237 L C 1.936 178.833 176.870 0.045 0.000 1.095 237 L CA 1.455 56.343 54.840 0.080 0.000 0.770 237 L CB -0.251 41.834 42.059 0.043 0.000 0.914 237 L HN 0.073 nan 8.230 nan 0.000 0.439 238 K N -0.965 119.444 120.400 0.015 0.000 2.314 238 K HA -0.033 4.286 4.320 -0.001 0.000 0.198 238 K C 1.958 178.578 176.600 0.034 0.000 1.045 238 K CA 0.305 56.593 56.287 0.003 0.000 0.988 238 K CB 0.084 32.556 32.500 -0.047 0.000 0.783 238 K HN 0.026 nan 8.250 nan 0.000 0.484 239 V N 2.182 122.122 119.914 0.043 0.000 2.392 239 V HA -0.147 3.973 4.120 -0.001 0.000 0.249 239 V C -1.225 174.940 176.094 0.118 0.000 1.059 239 V CA 1.730 64.079 62.300 0.080 0.000 1.051 239 V CB -0.375 31.457 31.823 0.015 0.000 0.658 239 V HN 0.174 nan 8.190 nan 0.000 0.455 240 P HA -0.010 nan 4.420 nan 0.000 0.217 240 P C 1.664 179.012 177.300 0.080 0.000 1.151 240 P CA 1.606 64.759 63.100 0.088 0.000 0.828 240 P CB -0.417 31.327 31.700 0.073 0.000 0.788 241 G N -0.267 108.569 108.800 0.060 0.000 2.408 241 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.217 241 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.217 241 G C 1.508 176.424 174.900 0.027 0.000 1.150 241 G CA 0.393 45.515 45.100 0.036 0.000 0.776 241 G HN 0.224 nan 8.290 nan 0.000 0.542 242 I N 0.267 120.872 120.570 0.057 0.000 2.394 242 I HA -0.113 4.056 4.170 -0.001 0.000 0.251 242 I C 2.678 178.884 176.117 0.148 0.000 1.136 242 I CA 0.240 61.587 61.300 0.077 0.000 1.425 242 I CB -0.023 38.069 38.000 0.154 0.000 1.079 242 I HN 0.031 nan 8.210 nan 0.000 0.425 243 V N 0.961 120.978 119.914 0.172 0.000 2.244 243 V HA -0.270 3.849 4.120 -0.001 0.000 0.244 243 V C 2.744 178.913 176.094 0.125 0.000 1.042 243 V CA 1.992 64.404 62.300 0.187 0.000 1.006 243 V CB -0.957 30.982 31.823 0.194 0.000 0.641 243 V HN 0.476 nan 8.190 nan 0.000 0.446 244 A N -0.219 122.650 122.820 0.083 0.000 1.948 244 A HA -0.336 3.984 4.320 -0.001 0.000 0.220 244 A C 2.291 179.882 177.584 0.012 0.000 1.177 244 A CA 2.334 54.405 52.037 0.057 0.000 0.636 244 A CB -0.634 18.394 19.000 0.046 0.000 0.815 244 A HN 0.703 nan 8.150 nan 0.000 0.449 245 E N -1.429 118.734 120.200 -0.061 0.000 2.051 245 E HA -0.239 4.110 4.350 -0.001 0.000 0.192 245 E C 1.693 178.127 176.600 -0.278 0.000 0.991 245 E CA 1.574 57.850 56.400 -0.206 0.000 0.799 245 E CB -0.311 29.182 29.700 -0.344 0.000 0.748 245 E HN 0.716 nan 8.360 nan 0.000 0.449 246 Y N 0.062 120.368 120.300 0.009 0.000 2.457 246 Y HA 0.038 4.587 4.550 -0.001 0.000 0.292 246 Y C 2.284 178.202 175.900 0.031 0.000 1.125 246 Y CA 0.801 58.902 58.100 0.001 0.000 1.254 246 Y CB -0.082 38.353 38.460 -0.041 0.000 1.012 246 Y HN 0.074 nan 8.280 nan 0.000 0.555 247 M N -0.774 118.916 119.600 0.152 0.000 2.296 247 M HA -0.234 4.245 4.480 -0.001 0.000 0.265 247 M C 1.764 178.148 176.300 0.140 0.000 1.064 247 M CA 1.659 57.066 55.300 0.178 0.000 1.109 247 M CB -0.106 32.603 32.600 0.181 0.000 1.396 247 M HN 0.295 nan 8.290 nan 0.000 0.430 248 Q N -0.248 119.595 119.800 0.070 0.000 2.123 248 Q HA -0.064 4.275 4.340 -0.001 0.000 0.196 248 Q C 1.936 177.958 176.000 0.036 0.000 0.958 248 Q CA 0.976 56.801 55.803 0.037 0.000 0.841 248 Q CB 0.122 28.860 28.738 0.001 0.000 0.915 248 Q HN 0.387 nan 8.270 nan 0.000 0.455 249 K N 0.090 120.507 120.400 0.028 0.000 2.032 249 K HA -0.129 4.190 4.320 -0.001 0.000 0.209 249 K C 2.013 178.666 176.600 0.088 0.000 1.048 249 K CA 1.403 57.718 56.287 0.047 0.000 0.927 249 K CB -0.069 32.462 32.500 0.053 0.000 0.712 249 K HN 0.025 nan 8.250 nan 0.000 0.441 250 V N 1.061 121.051 119.914 0.126 0.000 2.515 250 V HA -0.197 3.922 4.120 -0.001 0.000 0.250 250 V C 2.199 178.358 176.094 0.109 0.000 1.058 250 V CA 1.874 64.253 62.300 0.132 0.000 1.064 250 V CB -0.528 31.394 31.823 0.166 0.000 0.675 250 V HN 0.342 nan 8.190 nan 0.000 0.461 251 A N 0.692 123.567 122.820 0.092 0.000 2.067 251 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 251 A C 2.370 179.971 177.584 0.029 0.000 1.158 251 A CA 1.658 53.723 52.037 0.047 0.000 0.661 251 A CB -0.456 18.555 19.000 0.019 0.000 0.801 251 A HN 0.667 nan 8.150 nan 0.000 0.452 252 S N -0.903 114.819 115.700 0.035 0.000 2.562 252 S HA 0.192 4.661 4.470 -0.001 0.000 0.221 252 S C 1.452 176.069 174.600 0.028 0.000 0.975 252 S CA 0.644 58.859 58.200 0.025 0.000 0.918 252 S CB -0.226 62.986 63.200 0.021 0.000 0.772 252 S HN 0.451 nan 8.310 nan 0.000 0.531 253 L N 1.245 122.492 121.223 0.041 0.000 2.425 253 L HA 0.123 4.462 4.340 -0.001 0.000 0.215 253 L C 2.718 179.610 176.870 0.037 0.000 1.065 253 L CA 1.202 56.067 54.840 0.042 0.000 0.842 253 L CB -0.290 41.805 42.059 0.059 0.000 1.033 253 L HN 0.509 nan 8.230 nan 0.000 0.474 254 T N -4.725 109.854 114.554 0.043 0.000 3.042 254 T HA 0.233 4.582 4.350 -0.001 0.000 0.245 254 T C 1.509 176.215 174.700 0.011 0.000 1.029 254 T CA 0.698 62.817 62.100 0.031 0.000 1.120 254 T CB 0.712 69.616 68.868 0.060 0.000 0.917 254 T HN 0.312 nan 8.240 nan 0.000 0.467 255 G N 1.876 110.678 108.800 0.004 0.000 2.157 255 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.239 255 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.239 255 G C 0.075 174.944 174.900 -0.051 0.000 0.982 255 G CA -0.226 44.865 45.100 -0.015 0.000 0.650 255 G HN 0.674 nan 8.290 nan 0.000 0.527 256 R N 0.983 121.439 120.500 -0.074 0.000 2.275 256 R HA 0.559 4.899 4.340 -0.001 0.000 0.326 256 R C -0.353 175.728 176.300 -0.363 0.000 0.973 256 R CA -0.269 55.707 56.100 -0.208 0.000 0.854 256 R CB 1.422 31.632 30.300 -0.150 0.000 1.156 256 R HN 0.163 nan 8.270 nan 0.000 0.487 257 S N 2.279 117.747 115.700 -0.386 0.000 2.585 257 S HA 0.516 4.986 4.470 -0.001 0.000 0.277 257 S C -0.936 173.335 174.600 -0.547 0.000 1.241 257 S CA -0.312 57.699 58.200 -0.315 0.000 1.041 257 S CB 0.614 63.737 63.200 -0.128 0.000 0.987 257 S HN 0.331 nan 8.310 nan 0.000 0.512 258 Y N 0.451 120.778 120.300 0.044 0.000 2.588 258 Y HA 0.549 5.099 4.550 -0.001 0.000 0.343 258 Y C 0.174 176.101 175.900 0.045 0.000 1.065 258 Y CA -1.013 57.114 58.100 0.044 0.000 1.038 258 Y CB 1.608 40.093 38.460 0.041 0.000 1.297 258 Y HN 0.448 nan 8.280 nan 0.000 0.467 259 K N 0.475 121.010 120.400 0.225 0.000 2.395 259 K HA 0.389 4.708 4.320 -0.001 0.000 0.245 259 K C -0.090 176.572 176.600 0.104 0.000 1.017 259 K CA -0.881 55.496 56.287 0.150 0.000 0.852 259 K CB 1.930 34.514 32.500 0.142 0.000 1.311 259 K HN 0.333 nan 8.250 nan 0.000 0.452 260 L N 0.631 121.891 121.223 0.062 0.000 2.012 260 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 260 L C 0.275 176.964 176.870 -0.301 0.000 1.073 260 L CA 1.833 56.614 54.840 -0.097 0.000 0.748 260 L CB -0.345 41.708 42.059 -0.010 0.000 0.891 260 L HN 0.407 nan 8.230 nan 0.000 0.431 261 F N -1.356 118.627 119.950 0.056 0.000 2.556 261 F HA 0.395 4.921 4.527 -0.001 0.000 0.314 261 F C -0.155 175.699 175.800 0.089 0.000 1.106 261 F CA -1.225 56.820 58.000 0.075 0.000 0.911 261 F CB 1.528 40.558 39.000 0.050 0.000 1.190 261 F HN -0.226 nan 8.300 nan 0.000 0.448 262 D N 1.903 122.469 120.400 0.277 0.000 2.502 262 D HA 0.146 4.785 4.640 -0.001 0.000 0.249 262 D C -1.420 175.007 176.300 0.212 0.000 1.092 262 D CA -0.335 53.793 54.000 0.214 0.000 0.839 262 D CB 2.478 43.382 40.800 0.173 0.000 1.264 262 D HN 0.440 nan 8.370 nan 0.000 0.511 263 Y N 1.851 122.206 120.300 0.092 0.000 2.352 263 Y HA 0.496 5.045 4.550 -0.001 0.000 0.326 263 Y C -0.838 175.109 175.900 0.079 0.000 1.166 263 Y CA -0.216 57.931 58.100 0.078 0.000 1.182 263 Y CB 1.147 39.633 38.460 0.044 0.000 1.216 263 Y HN 0.122 nan 8.280 nan 0.000 0.474 264 V N 4.715 124.107 119.914 -0.869 0.000 2.932 264 V HA 0.785 4.904 4.120 -0.001 0.000 0.307 264 V C -0.146 175.544 176.094 -0.673 0.000 1.147 264 V CA 0.172 62.181 62.300 -0.485 0.000 0.951 264 V CB 1.499 33.204 31.823 -0.197 0.000 1.031 264 V HN 1.271 nan 8.190 nan 0.000 0.426 265 G N 3.594 112.243 108.800 -0.251 0.000 2.466 265 G HA2 0.419 4.378 3.960 -0.001 0.000 0.316 265 G HA3 0.419 4.378 3.960 -0.001 0.000 0.316 265 G C 0.023 175.007 174.900 0.140 0.000 1.270 265 G CA -0.074 44.973 45.100 -0.088 0.000 0.982 265 G HN 1.984 nan 8.290 nan 0.000 0.506 266 A N 0.518 123.434 122.820 0.160 0.000 2.567 266 A HA 0.540 4.859 4.320 -0.001 0.000 0.240 266 A C -0.451 177.291 177.584 0.264 0.000 1.053 266 A CA 0.818 52.960 52.037 0.175 0.000 0.755 266 A CB 0.020 19.083 19.000 0.104 0.000 0.978 266 A HN 0.515 nan 8.150 nan 0.000 0.507 267 P HA -0.061 nan 4.420 nan 0.000 0.221 267 P C 0.237 177.536 177.300 -0.001 0.000 1.150 267 P CA 1.402 64.545 63.100 0.071 0.000 0.800 267 P CB 0.148 31.879 31.700 0.051 0.000 0.787 268 D N -1.240 119.178 120.400 0.030 0.000 2.894 268 D HA 0.257 4.896 4.640 -0.001 0.000 0.273 268 D C -0.022 176.300 176.300 0.037 0.000 1.328 268 D CA -0.796 53.213 54.000 0.014 0.000 0.845 268 D CB -0.540 40.269 40.800 0.015 0.000 1.072 268 D HN -0.060 nan 8.370 nan 0.000 0.484 269 A N 0.348 123.208 122.820 0.066 0.000 2.462 269 A HA 0.198 4.518 4.320 -0.001 0.000 0.243 269 A C 0.936 178.573 177.584 0.088 0.000 1.076 269 A CA -0.159 51.946 52.037 0.112 0.000 0.773 269 A CB 0.608 19.752 19.000 0.240 0.000 1.010 269 A HN 0.282 nan 8.150 nan 0.000 0.493 270 E N 0.749 121.004 120.200 0.092 0.000 2.330 270 E HA 0.043 4.392 4.350 -0.001 0.000 0.200 270 E C -0.024 176.647 176.600 0.117 0.000 0.922 270 E CA 0.306 56.757 56.400 0.084 0.000 0.935 270 E CB 0.370 30.107 29.700 0.061 0.000 0.917 270 E HN 0.663 nan 8.360 nan 0.000 0.491 271 R N 1.371 121.965 120.500 0.157 0.000 2.337 271 R HA 0.417 4.757 4.340 -0.001 0.000 0.319 271 R C -1.174 175.326 176.300 0.333 0.000 0.954 271 R CA -0.302 55.932 56.100 0.223 0.000 0.840 271 R CB 2.131 32.580 30.300 0.249 0.000 1.164 271 R HN -0.138 nan 8.270 nan 0.000 0.472 272 V N 5.003 125.098 119.914 0.301 0.000 2.628 272 V HA 0.516 4.635 4.120 -0.001 0.000 0.306 272 V C -0.009 176.242 176.094 0.262 0.000 1.045 272 V CA -0.789 61.717 62.300 0.344 0.000 0.905 272 V CB 2.385 34.408 31.823 0.333 0.000 0.997 272 V HN 0.623 nan 8.190 nan 0.000 0.436 273 I N 3.405 124.115 120.570 0.233 0.000 2.441 273 I HA 0.479 4.648 4.170 -0.001 0.000 0.295 273 I C -0.738 175.512 176.117 0.222 0.000 0.994 273 I CA -0.838 60.545 61.300 0.139 0.000 1.144 273 I CB 2.142 40.138 38.000 -0.007 0.000 1.314 273 I HN 0.249 nan 8.210 nan 0.000 0.445 274 V N 5.211 125.278 119.914 0.256 0.000 2.370 274 V HA 0.468 4.587 4.120 -0.001 0.000 0.283 274 V C -0.033 176.222 176.094 0.267 0.000 1.023 274 V CA -0.057 62.445 62.300 0.337 0.000 0.857 274 V CB 1.465 33.563 31.823 0.458 0.000 0.985 274 V HN 0.804 nan 8.190 nan 0.000 0.443 275 S N 4.473 120.331 115.700 0.263 0.000 2.685 275 S HA 0.877 5.346 4.470 -0.001 0.000 0.282 275 S C -1.060 173.706 174.600 0.276 0.000 1.159 275 S CA -0.681 57.651 58.200 0.220 0.000 0.833 275 S CB 1.884 65.138 63.200 0.090 0.000 1.151 275 S HN 0.733 nan 8.310 nan 0.000 0.485 276 M N 1.590 121.371 119.600 0.302 0.000 2.371 276 M HA 0.598 5.077 4.480 -0.001 0.000 0.287 276 M C -0.359 176.165 176.300 0.372 0.000 1.149 276 M CA 0.629 56.107 55.300 0.297 0.000 0.929 276 M CB 1.422 34.194 32.600 0.286 0.000 1.683 276 M HN 1.124 nan 8.290 nan 0.000 0.470 277 G N 1.752 110.707 108.800 0.257 0.000 2.627 277 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.214 277 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.214 277 G C 0.242 175.287 174.900 0.242 0.000 1.331 277 G CA 0.153 45.429 45.100 0.294 0.000 0.891 277 G HN 1.421 nan 8.290 nan 0.000 0.539 278 S N -0.562 115.284 115.700 0.243 0.000 2.440 278 S HA -0.107 4.362 4.470 -0.001 0.000 0.238 278 S C 2.604 177.342 174.600 0.230 0.000 1.010 278 S CA 2.405 60.732 58.200 0.211 0.000 0.972 278 S CB -0.630 62.690 63.200 0.199 0.000 0.774 278 S HN 2.316 nan 8.310 nan 0.000 0.501 279 S N 0.760 116.618 115.700 0.263 0.000 2.440 279 S HA -0.132 4.338 4.470 -0.001 0.000 0.238 279 S C 1.913 176.660 174.600 0.245 0.000 1.010 279 S CA 0.955 59.327 58.200 0.286 0.000 0.972 279 S CB -1.487 61.739 63.200 0.043 0.000 0.774 279 S HN 0.692 nan 8.310 nan 0.000 0.501 280 C N 1.898 121.316 119.300 0.196 0.000 2.425 280 C HA 0.027 4.486 4.460 -0.001 0.000 0.277 280 C C 2.975 178.059 174.990 0.157 0.000 1.280 280 C CA 0.582 59.702 59.018 0.169 0.000 1.744 280 C CB -1.114 26.721 27.740 0.157 0.000 1.989 280 C HN 0.604 nan 8.230 nan 0.000 0.491 281 E N 0.538 120.833 120.200 0.158 0.000 2.051 281 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 281 E C 2.213 178.903 176.600 0.150 0.000 0.991 281 E CA 1.631 58.112 56.400 0.135 0.000 0.799 281 E CB -0.746 29.028 29.700 0.123 0.000 0.748 281 E HN 0.576 nan 8.360 nan 0.000 0.449 282 T N 1.660 116.329 114.554 0.192 0.000 2.867 282 T HA -0.049 4.300 4.350 -0.001 0.000 0.268 282 T C 2.083 176.857 174.700 0.124 0.000 1.057 282 T CA 0.657 62.870 62.100 0.187 0.000 1.136 282 T CB -0.119 68.867 68.868 0.196 0.000 0.874 282 T HN 0.098 nan 8.240 nan 0.000 0.466 283 I N 0.769 121.435 120.570 0.159 0.000 2.252 283 I HA -0.123 4.046 4.170 -0.001 0.000 0.245 283 I C 2.698 178.904 176.117 0.148 0.000 1.102 283 I CA 1.274 62.671 61.300 0.163 0.000 1.385 283 I CB -0.325 37.794 38.000 0.198 0.000 1.064 283 I HN 0.301 nan 8.210 nan 0.000 0.414 284 E N 1.065 121.336 120.200 0.119 0.000 2.110 284 E HA -0.290 4.059 4.350 -0.001 0.000 0.193 284 E C 2.121 178.768 176.600 0.079 0.000 0.988 284 E CA 1.245 57.693 56.400 0.080 0.000 0.804 284 E CB 0.027 29.763 29.700 0.059 0.000 0.745 284 E HN 0.431 nan 8.360 nan 0.000 0.458 285 E N -0.098 120.159 120.200 0.094 0.000 2.077 285 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 285 E C 2.066 178.733 176.600 0.112 0.000 0.989 285 E CA 1.244 57.702 56.400 0.096 0.000 0.800 285 E CB 0.183 29.956 29.700 0.122 0.000 0.746 285 E HN 0.167 nan 8.360 nan 0.000 0.452 286 V N 1.417 121.404 119.914 0.121 0.000 2.358 286 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 286 V C 2.415 178.604 176.094 0.158 0.000 1.047 286 V CA 1.469 63.872 62.300 0.172 0.000 1.035 286 V CB -0.380 31.539 31.823 0.160 0.000 0.658 286 V HN 0.338 nan 8.190 nan 0.000 0.452 287 I N 0.489 121.116 120.570 0.094 0.000 2.151 287 I HA -0.333 3.836 4.170 -0.001 0.000 0.243 287 I C 2.274 178.402 176.117 0.019 0.000 1.080 287 I CA 2.130 63.434 61.300 0.008 0.000 1.339 287 I CB -0.604 37.401 38.000 0.008 0.000 1.039 287 I HN 0.446 nan 8.210 nan 0.000 0.409 288 N N -0.783 117.947 118.700 0.051 0.000 2.205 288 N HA -0.255 4.484 4.740 -0.001 0.000 0.186 288 N C 1.971 177.517 175.510 0.059 0.000 1.015 288 N CA 0.878 53.954 53.050 0.044 0.000 0.862 288 N CB -0.145 38.372 38.487 0.050 0.000 0.986 288 N HN 0.462 nan 8.380 nan 0.000 0.429 289 H N 0.541 119.615 119.070 0.006 0.000 2.343 289 H HA 0.011 4.566 4.556 -0.001 0.000 0.303 289 H C 1.892 177.221 175.328 0.001 0.000 1.068 289 H CA 0.869 56.916 56.048 -0.002 0.000 1.359 289 H CB 0.184 29.943 29.762 -0.006 0.000 1.402 289 H HN 0.063 nan 8.280 nan 0.000 0.515 290 L N 1.219 122.468 121.223 0.044 0.000 2.005 290 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 290 L C 3.055 179.871 176.870 -0.089 0.000 1.072 290 L CA 1.784 56.606 54.840 -0.030 0.000 0.744 290 L CB -1.298 40.754 42.059 -0.013 0.000 0.895 290 L HN 0.310 nan 8.230 nan 0.000 0.433 291 A N -0.681 122.094 122.820 -0.076 0.000 1.978 291 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 291 A C 2.405 179.954 177.584 -0.059 0.000 1.170 291 A CA 1.648 53.647 52.037 -0.062 0.000 0.636 291 A CB -0.878 18.098 19.000 -0.040 0.000 0.810 291 A HN 0.387 nan 8.150 nan 0.000 0.448 292 A N -0.428 122.347 122.820 -0.075 0.000 2.125 292 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 292 A C 1.840 179.369 177.584 -0.092 0.000 1.156 292 A CA 1.551 53.543 52.037 -0.075 0.000 0.671 292 A CB -0.305 18.644 19.000 -0.084 0.000 0.794 292 A HN 0.566 nan 8.150 nan 0.000 0.459 293 K N -1.642 118.687 120.400 -0.119 0.000 2.387 293 K HA 0.322 4.641 4.320 -0.001 0.000 0.198 293 K C 1.018 177.580 176.600 -0.063 0.000 1.022 293 K CA 0.458 56.681 56.287 -0.107 0.000 1.128 293 K CB 0.317 32.724 32.500 -0.155 0.000 0.853 293 K HN 0.531 nan 8.250 nan 0.000 0.523 294 G N 1.204 109.973 108.800 -0.052 0.000 2.253 294 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.209 294 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.209 294 G C -0.363 174.518 174.900 -0.031 0.000 0.997 294 G CA -0.592 44.488 45.100 -0.033 0.000 0.640 294 G HN 0.273 nan 8.290 nan 0.000 0.496 295 E N 1.660 121.832 120.200 -0.047 0.000 2.415 295 E HA 0.159 4.508 4.350 -0.001 0.000 0.260 295 E C -0.022 176.548 176.600 -0.051 0.000 1.016 295 E CA 0.090 56.456 56.400 -0.057 0.000 0.924 295 E CB 0.536 30.179 29.700 -0.095 0.000 0.961 295 E HN 0.060 nan 8.360 nan 0.000 0.459 296 K N 4.119 124.504 120.400 -0.025 0.000 2.480 296 K HA 0.186 4.505 4.320 -0.001 0.000 0.241 296 K C 0.306 176.916 176.600 0.016 0.000 1.261 296 K CA 0.060 56.351 56.287 0.006 0.000 1.193 296 K CB -1.042 31.471 32.500 0.021 0.000 1.598 296 K HN 0.478 nan 8.250 nan 0.000 0.278 297 I N -3.503 117.052 120.570 -0.025 0.000 3.067 297 I HA 0.870 5.039 4.170 -0.001 0.000 0.312 297 I C 0.150 176.316 176.117 0.081 0.000 1.073 297 I CA -1.120 60.161 61.300 -0.031 0.000 1.016 297 I CB 2.552 40.292 38.000 -0.432 0.000 1.227 297 I HN 0.159 nan 8.210 nan 0.000 0.456 298 G N 1.999 110.923 108.800 0.205 0.000 2.600 298 G HA2 0.625 4.584 3.960 -0.001 0.000 0.293 298 G HA3 0.625 4.584 3.960 -0.001 0.000 0.293 298 G C -2.278 172.727 174.900 0.175 0.000 1.408 298 G CA -0.683 44.506 45.100 0.148 0.000 0.782 298 G HN 0.815 nan 8.290 nan 0.000 0.482 299 L N -0.656 120.490 121.223 -0.128 0.000 2.472 299 L HA 0.797 5.136 4.340 -0.001 0.000 0.260 299 L C -1.509 175.381 176.870 0.033 0.000 0.963 299 L CA -0.711 54.158 54.840 0.050 0.000 0.829 299 L CB 1.984 44.087 42.059 0.074 0.000 1.348 299 L HN 0.525 nan 8.230 nan 0.000 0.408 300 I N 4.055 124.756 120.570 0.218 0.000 2.362 300 I HA 0.395 4.564 4.170 -0.001 0.000 0.289 300 I C -0.368 175.923 176.117 0.290 0.000 0.994 300 I CA -0.664 60.801 61.300 0.276 0.000 1.158 300 I CB 1.403 39.584 38.000 0.301 0.000 1.315 300 I HN 0.530 nan 8.210 nan 0.000 0.451 301 K N 6.149 126.701 120.400 0.254 0.000 2.253 301 K HA 0.357 4.676 4.320 -0.001 0.000 0.277 301 K C -0.505 176.243 176.600 0.247 0.000 1.053 301 K CA -0.519 55.904 56.287 0.228 0.000 0.892 301 K CB 2.190 34.792 32.500 0.169 0.000 1.102 301 K HN 0.455 nan 8.250 nan 0.000 0.469 302 V N 3.373 123.437 119.914 0.249 0.000 2.406 302 V HA 0.248 4.367 4.120 -0.001 0.000 0.272 302 V C 0.419 176.484 176.094 -0.049 0.000 1.043 302 V CA -0.090 62.264 62.300 0.090 0.000 0.915 302 V CB 1.254 33.242 31.823 0.275 0.000 0.988 302 V HN 0.724 nan 8.190 nan 0.000 0.466 303 R N 4.285 124.656 120.500 -0.214 0.000 2.056 303 R HA 0.438 4.777 4.340 -0.001 0.000 0.215 303 R C 0.338 176.545 176.300 -0.154 0.000 1.205 303 R CA 0.488 56.494 56.100 -0.156 0.000 1.020 303 R CB -0.350 29.877 30.300 -0.122 0.000 0.911 303 R HN 0.671 nan 8.270 nan 0.000 0.451 304 L N 1.591 122.652 121.223 -0.269 0.000 2.282 304 L HA 0.170 4.509 4.340 -0.001 0.000 0.287 304 L C 0.208 176.987 176.870 -0.151 0.000 1.075 304 L CA -0.075 54.679 54.840 -0.143 0.000 0.839 304 L CB 0.680 42.664 42.059 -0.125 0.000 1.219 304 L HN 0.215 nan 8.230 nan 0.000 0.434 305 Y N 4.813 125.113 120.300 -0.001 0.000 2.314 305 Y HA 0.259 4.808 4.550 -0.002 0.000 0.294 305 Y C 0.449 176.493 175.900 0.240 0.000 1.119 305 Y CA 0.695 58.902 58.100 0.179 0.000 1.179 305 Y CB 0.352 38.987 38.460 0.292 0.000 1.025 305 Y HN 0.390 nan 8.280 nan 0.000 0.541 306 R N 0.769 121.285 120.500 0.026 0.000 2.514 306 R HA 0.337 4.676 4.340 -0.001 0.000 0.296 306 R C -3.039 173.240 176.300 -0.035 0.000 1.012 306 R CA -2.364 53.714 56.100 -0.038 0.000 0.897 306 R CB 1.416 31.712 30.300 -0.006 0.000 1.184 306 R HN 0.015 nan 8.270 nan 0.000 0.440 307 P HA 0.114 nan 4.420 nan 0.000 0.271 307 P C -0.587 176.739 177.300 0.043 0.000 1.218 307 P CA -0.225 62.898 63.100 0.037 0.000 0.780 307 P CB 0.381 32.131 31.700 0.083 0.000 0.901 308 F N 3.587 123.500 119.950 -0.061 0.000 2.421 308 F HA 0.269 4.795 4.527 -0.001 0.000 0.358 308 F C -0.391 175.459 175.800 0.083 0.000 1.115 308 F CA -0.108 57.900 58.000 0.012 0.000 1.160 308 F CB 0.481 39.411 39.000 -0.116 0.000 1.123 308 F HN -0.043 nan 8.300 nan 0.000 0.508 309 V N 6.500 126.394 119.914 -0.034 0.000 2.293 309 V HA 0.123 4.242 4.120 -0.001 0.000 0.275 309 V C 0.661 176.716 176.094 -0.064 0.000 1.021 309 V CA -0.286 62.045 62.300 0.052 0.000 0.815 309 V CB 0.735 32.624 31.823 0.110 0.000 1.025 309 V HN 0.926 nan 8.190 nan 0.000 0.448 310 S N 2.503 118.194 115.700 -0.014 0.000 2.399 310 S HA -0.177 4.292 4.470 -0.001 0.000 0.231 310 S C 1.918 176.507 174.600 -0.017 0.000 1.022 310 S CA 1.512 59.655 58.200 -0.096 0.000 0.983 310 S CB -0.062 63.164 63.200 0.044 0.000 0.803 310 S HN 0.886 nan 8.310 nan 0.000 0.480 311 E N 1.815 122.066 120.200 0.086 0.000 2.077 311 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 311 E C 2.062 178.706 176.600 0.072 0.000 0.989 311 E CA 1.283 57.759 56.400 0.127 0.000 0.800 311 E CB -0.253 29.506 29.700 0.098 0.000 0.746 311 E HN 0.475 nan 8.360 nan 0.000 0.452 312 A N 0.350 123.201 122.820 0.051 0.000 1.968 312 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 312 A C 1.970 179.510 177.584 -0.073 0.000 1.169 312 A CA 0.964 53.067 52.037 0.110 0.000 0.638 312 A CB -0.759 18.427 19.000 0.310 0.000 0.812 312 A HN 0.436 nan 8.150 nan 0.000 0.446 313 F N -0.275 119.248 119.950 -0.712 0.000 2.113 313 F HA -0.086 4.440 4.527 -0.001 0.000 0.297 313 F C 1.699 177.173 175.800 -0.544 0.000 1.103 313 F CA 1.445 58.745 58.000 -1.168 0.000 1.248 313 F CB -0.366 37.730 39.000 -1.507 0.000 0.999 313 F HN 0.194 nan 8.300 nan 0.000 0.475 314 F N 0.652 120.402 119.950 -0.334 0.000 2.365 314 F HA 0.055 4.581 4.527 -0.001 0.000 0.300 314 F C 2.495 178.158 175.800 -0.228 0.000 1.090 314 F CA 0.723 58.544 58.000 -0.299 0.000 1.408 314 F CB -1.488 37.434 39.000 -0.130 0.000 1.060 314 F HN 0.093 nan 8.300 nan 0.000 0.534 315 A N -0.428 122.388 122.820 -0.006 0.000 2.067 315 A HA 0.153 4.473 4.320 -0.001 0.000 0.219 315 A C 2.246 179.805 177.584 -0.042 0.000 1.158 315 A CA 1.392 53.430 52.037 0.001 0.000 0.661 315 A CB -0.817 18.203 19.000 0.034 0.000 0.801 315 A HN 0.237 nan 8.150 nan 0.000 0.452 316 A N -1.433 121.314 122.820 -0.122 0.000 2.267 316 A HA 0.449 4.768 4.320 -0.001 0.000 0.213 316 A C 0.742 178.212 177.584 -0.191 0.000 1.192 316 A CA -0.150 51.839 52.037 -0.081 0.000 0.851 316 A CB 0.009 19.014 19.000 0.008 0.000 0.881 316 A HN 0.386 nan 8.150 nan 0.000 0.494 317 L N 1.992 123.044 121.223 -0.285 0.000 2.265 317 L HA 0.372 4.711 4.340 -0.001 0.000 0.288 317 L C -2.778 173.975 176.870 -0.195 0.000 1.058 317 L CA -1.750 52.946 54.840 -0.241 0.000 0.809 317 L CB 1.276 43.227 42.059 -0.180 0.000 1.179 317 L HN 0.022 nan 8.230 nan 0.000 0.429 318 P HA 0.116 nan 4.420 nan 0.000 0.271 318 P C 0.333 177.583 177.300 -0.084 0.000 1.220 318 P CA -0.144 62.801 63.100 -0.258 0.000 0.768 318 P CB 1.048 32.548 31.700 -0.333 0.000 0.848 319 A N 3.095 125.881 122.820 -0.058 0.000 1.978 319 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 319 A C 1.998 179.583 177.584 0.002 0.000 1.170 319 A CA 2.157 54.186 52.037 -0.014 0.000 0.636 319 A CB -1.380 17.607 19.000 -0.023 0.000 0.810 319 A HN 0.595 nan 8.150 nan 0.000 0.448 320 S N -0.257 115.436 115.700 -0.012 0.000 2.555 320 S HA 0.387 4.856 4.470 -0.001 0.000 0.230 320 S C 0.989 175.606 174.600 0.028 0.000 0.978 320 S CA 0.338 58.542 58.200 0.007 0.000 0.934 320 S CB -0.722 62.479 63.200 0.002 0.000 0.766 320 S HN 0.982 nan 8.310 nan 0.000 0.533 321 A N 1.374 124.218 122.820 0.041 0.000 2.515 321 A HA 0.351 4.670 4.320 -0.001 0.000 0.263 321 A C 1.002 178.624 177.584 0.065 0.000 1.096 321 A CA -0.199 51.884 52.037 0.076 0.000 0.769 321 A CB 0.054 19.123 19.000 0.115 0.000 1.040 321 A HN 0.450 nan 8.150 nan 0.000 0.505 322 K N 1.198 121.633 120.400 0.058 0.000 2.348 322 K HA 0.298 4.617 4.320 -0.001 0.000 0.194 322 K C -0.457 176.161 176.600 0.029 0.000 1.052 322 K CA 0.593 56.901 56.287 0.036 0.000 1.004 322 K CB 0.720 33.240 32.500 0.033 0.000 0.873 322 K HN 0.514 nan 8.250 nan 0.000 0.523 323 V N 1.508 121.455 119.914 0.055 0.000 2.808 323 V HA 0.421 4.540 4.120 -0.001 0.000 0.308 323 V C -1.473 174.677 176.094 0.093 0.000 1.099 323 V CA -1.116 61.216 62.300 0.054 0.000 0.920 323 V CB 1.956 33.817 31.823 0.063 0.000 1.014 323 V HN 0.086 nan 8.190 nan 0.000 0.425 324 I N 2.993 123.615 120.570 0.086 0.000 2.569 324 I HA 0.803 4.972 4.170 -0.001 0.000 0.290 324 I C -0.410 175.801 176.117 0.156 0.000 1.088 324 I CA 0.059 61.449 61.300 0.150 0.000 1.047 324 I CB 2.442 40.569 38.000 0.212 0.000 1.237 324 I HN 0.731 nan 8.210 nan 0.000 0.421 325 T N 6.030 120.685 114.554 0.168 0.000 2.779 325 T HA 0.703 5.052 4.350 -0.001 0.000 0.280 325 T C -0.861 173.947 174.700 0.179 0.000 0.987 325 T CA -0.513 61.690 62.100 0.171 0.000 0.966 325 T CB 1.133 70.121 68.868 0.201 0.000 0.933 325 T HN 0.502 nan 8.240 nan 0.000 0.442 326 V N 6.023 126.051 119.914 0.191 0.000 2.364 326 V HA 0.388 4.507 4.120 -0.001 0.000 0.272 326 V C -0.276 175.882 176.094 0.107 0.000 1.036 326 V CA -0.866 61.560 62.300 0.209 0.000 0.880 326 V CB 0.653 32.654 31.823 0.297 0.000 0.991 326 V HN 0.750 nan 8.190 nan 0.000 0.460 327 L N 5.079 126.364 121.223 0.103 0.000 2.292 327 L HA 0.519 4.859 4.340 -0.001 0.000 0.284 327 L C 0.173 177.194 176.870 0.252 0.000 1.065 327 L CA 0.295 55.173 54.840 0.062 0.000 0.806 327 L CB 1.000 42.958 42.059 -0.168 0.000 1.175 327 L HN 0.593 nan 8.230 nan 0.000 0.431 328 D N 2.962 123.507 120.400 0.243 0.000 2.505 328 D HA 0.270 4.909 4.640 -0.001 0.000 0.249 328 D C 0.010 176.334 176.300 0.041 0.000 1.082 328 D CA -0.455 53.681 54.000 0.226 0.000 0.839 328 D CB 2.094 42.948 40.800 0.089 0.000 1.317 328 D HN 0.342 nan 8.370 nan 0.000 0.497 329 R N 1.469 121.910 120.500 -0.099 0.000 3.351 329 R HA 0.180 4.519 4.340 -0.001 0.000 0.296 329 R C -0.216 175.928 176.300 -0.260 0.000 1.427 329 R CA 0.069 55.788 56.100 -0.635 0.000 1.257 329 R CB 0.252 29.890 30.300 -1.103 0.000 1.378 329 R HN 0.326 nan 8.270 nan 0.000 0.610 330 T N -0.858 113.659 114.554 -0.062 0.000 2.731 330 T HA 0.385 4.734 4.350 -0.001 0.000 0.300 330 T C -2.025 172.662 174.700 -0.021 0.000 1.283 330 T CA -0.736 61.376 62.100 0.021 0.000 1.005 330 T CB 1.541 70.546 68.868 0.229 0.000 1.420 330 T HN 0.104 nan 8.240 nan 0.000 0.503 331 K N 1.887 122.281 120.400 -0.009 0.000 2.637 331 K HA 0.421 4.740 4.320 -0.001 0.000 0.248 331 K C -1.511 175.077 176.600 -0.019 0.000 0.971 331 K CA -0.303 55.969 56.287 -0.025 0.000 0.858 331 K CB 1.197 33.683 32.500 -0.023 0.000 1.170 331 K HN 0.549 nan 8.250 nan 0.000 0.443 332 E N 5.672 125.851 120.200 -0.035 0.000 2.121 332 E HA 0.272 4.621 4.350 -0.001 0.000 0.255 332 E C -2.314 174.266 176.600 -0.035 0.000 0.906 332 E CA -2.007 54.373 56.400 -0.034 0.000 0.745 332 E CB 1.138 30.807 29.700 -0.051 0.000 1.155 332 E HN 0.440 nan 8.360 nan 0.000 0.424 333 P HA 0.012 nan 4.420 nan 0.000 0.264 333 P C 0.941 178.223 177.300 -0.031 0.000 1.193 333 P CA 0.584 63.668 63.100 -0.027 0.000 0.763 333 P CB 0.699 32.391 31.700 -0.014 0.000 0.810 334 G N 1.875 110.650 108.800 -0.041 0.000 2.267 334 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 334 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 334 G C 0.536 175.409 174.900 -0.045 0.000 0.998 334 G CA 0.106 45.181 45.100 -0.042 0.000 0.620 334 G HN 0.886 nan 8.290 nan 0.000 0.529 335 A N 1.190 123.983 122.820 -0.044 0.000 2.425 335 A HA 0.603 4.922 4.320 -0.001 0.000 0.242 335 A C 0.198 177.756 177.584 -0.043 0.000 1.077 335 A CA 0.093 52.109 52.037 -0.036 0.000 0.781 335 A CB 0.342 19.321 19.000 -0.034 0.000 1.020 335 A HN 0.266 nan 8.150 nan 0.000 0.494 336 P HA 0.116 nan 4.420 nan 0.000 0.230 336 P C 0.524 177.862 177.300 0.063 0.000 1.158 336 P CA 1.424 64.521 63.100 -0.005 0.000 0.769 336 P CB 0.095 31.819 31.700 0.039 0.000 0.807 337 G N -0.715 108.141 108.800 0.094 0.000 2.377 337 G HA2 0.144 4.103 3.960 -0.001 0.000 0.297 337 G HA3 0.144 4.103 3.960 -0.001 0.000 0.297 337 G C -1.877 173.089 174.900 0.111 0.000 1.547 337 G CA -0.671 44.539 45.100 0.182 0.000 0.833 337 G HN -0.216 nan 8.290 nan 0.000 0.583 338 D N 1.009 121.441 120.400 0.052 0.000 2.357 338 D HA 0.263 4.902 4.640 -0.001 0.000 0.242 338 D C -1.150 175.106 176.300 -0.075 0.000 1.153 338 D CA -1.133 52.836 54.000 -0.053 0.000 0.918 338 D CB 1.466 42.216 40.800 -0.082 0.000 1.181 338 D HN 0.004 nan 8.370 nan 0.000 0.435 339 P HA -0.213 nan 4.420 nan 0.000 0.218 339 P C 1.575 178.817 177.300 -0.097 0.000 1.165 339 P CA 0.909 63.804 63.100 -0.341 0.000 0.922 339 P CB 0.129 31.253 31.700 -0.960 0.000 0.794 340 L N -2.226 118.995 121.223 -0.003 0.000 2.083 340 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 340 L C 2.456 179.372 176.870 0.076 0.000 1.083 340 L CA 1.662 56.624 54.840 0.204 0.000 0.752 340 L CB -1.480 40.783 42.059 0.341 0.000 0.899 340 L HN -0.066 nan 8.230 nan 0.000 0.433 341 Y N -1.007 119.272 120.300 -0.034 0.000 2.145 341 Y HA -0.235 4.314 4.550 -0.001 0.000 0.286 341 Y C 2.181 178.034 175.900 -0.079 0.000 1.145 341 Y CA 1.694 59.768 58.100 -0.043 0.000 1.148 341 Y CB -0.306 38.125 38.460 -0.048 0.000 0.981 341 Y HN 0.157 nan 8.280 nan 0.000 0.507 342 L N 0.694 121.819 121.223 -0.162 0.000 2.083 342 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 342 L C 1.970 178.632 176.870 -0.346 0.000 1.083 342 L CA 1.814 56.501 54.840 -0.254 0.000 0.752 342 L CB -1.074 40.918 42.059 -0.111 0.000 0.899 342 L HN 0.270 nan 8.230 nan 0.000 0.433 343 D N -1.272 118.881 120.400 -0.413 0.000 2.123 343 D HA -0.104 4.535 4.640 -0.001 0.000 0.200 343 D C 2.395 178.229 176.300 -0.776 0.000 0.976 343 D CA 0.962 54.514 54.000 -0.747 0.000 0.831 343 D CB -0.050 40.006 40.800 -1.239 0.000 0.974 343 D HN 0.129 nan 8.370 nan 0.000 0.469 344 V N 0.695 120.265 119.914 -0.573 0.000 2.358 344 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 344 V C 2.657 178.614 176.094 -0.229 0.000 1.047 344 V CA 1.145 63.154 62.300 -0.486 0.000 1.035 344 V CB -0.385 31.299 31.823 -0.232 0.000 0.658 344 V HN 0.280 nan 8.190 nan 0.000 0.452 345 C N -0.879 118.260 119.300 -0.269 0.000 2.413 345 C HA -0.169 4.290 4.460 -0.001 0.000 0.277 345 C C 3.212 178.164 174.990 -0.063 0.000 1.265 345 C CA 1.594 60.514 59.018 -0.162 0.000 1.752 345 C CB -1.072 26.434 27.740 -0.389 0.000 1.998 345 C HN 0.607 nan 8.230 nan 0.000 0.489 346 S N 0.214 115.812 115.700 -0.171 0.000 2.356 346 S HA -0.125 4.344 4.470 -0.001 0.000 0.223 346 S C 2.124 176.684 174.600 -0.068 0.000 1.032 346 S CA 1.520 59.642 58.200 -0.130 0.000 1.005 346 S CB -0.344 62.724 63.200 -0.220 0.000 0.867 346 S HN 0.647 nan 8.310 nan 0.000 0.449 347 A N 0.312 123.039 122.820 -0.156 0.000 1.902 347 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 347 A C 1.871 179.529 177.584 0.125 0.000 1.181 347 A CA 1.528 53.501 52.037 -0.106 0.000 0.623 347 A CB -0.967 17.725 19.000 -0.513 0.000 0.818 347 A HN 0.560 nan 8.150 nan 0.000 0.443 348 F N -0.203 119.886 119.950 0.232 0.000 2.146 348 F HA -0.157 4.369 4.527 -0.001 0.000 0.298 348 F C 2.610 178.490 175.800 0.133 0.000 1.096 348 F CA 1.742 59.914 58.000 0.287 0.000 1.275 348 F CB -0.577 38.536 39.000 0.189 0.000 1.008 348 F HN 0.184 nan 8.300 nan 0.000 0.480 349 V N -0.871 119.174 119.914 0.220 0.000 2.453 349 V HA -0.198 3.921 4.120 -0.001 0.000 0.247 349 V C 2.056 178.204 176.094 0.090 0.000 1.048 349 V CA 2.062 64.437 62.300 0.125 0.000 1.049 349 V CB -0.742 31.122 31.823 0.068 0.000 0.672 349 V HN 0.331 nan 8.190 nan 0.000 0.457 350 E N 0.754 121.006 120.200 0.086 0.000 2.118 350 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 350 E C 2.424 179.061 176.600 0.061 0.000 0.992 350 E CA 1.796 58.237 56.400 0.067 0.000 0.804 350 E CB -0.435 29.311 29.700 0.076 0.000 0.741 350 E HN 0.594 nan 8.360 nan 0.000 0.458 351 R N -0.507 120.036 120.500 0.072 0.000 2.081 351 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 351 R C 1.271 177.564 176.300 -0.012 0.000 1.131 351 R CA 1.289 57.375 56.100 -0.023 0.000 0.960 351 R CB -0.474 29.733 30.300 -0.154 0.000 0.856 351 R HN 0.416 nan 8.270 nan 0.000 0.436 352 G N 0.669 109.488 108.800 0.031 0.000 2.160 352 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.251 352 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.251 352 G C -0.054 174.855 174.900 0.014 0.000 1.008 352 G CA 1.027 46.142 45.100 0.025 0.000 0.724 352 G HN 0.494 nan 8.290 nan 0.000 0.514 353 E N -0.542 119.668 120.200 0.018 0.000 3.010 353 E HA 0.743 5.093 4.350 -0.001 0.000 0.199 353 E C 1.060 177.685 176.600 0.042 0.000 0.698 353 E CA -0.498 55.907 56.400 0.009 0.000 1.360 353 E CB 0.376 30.057 29.700 -0.031 0.000 1.860 353 E HN 0.695 nan 8.360 nan 0.000 0.376 354 A N 1.153 123.998 122.820 0.042 0.000 2.498 354 A HA 0.234 4.553 4.320 -0.001 0.000 0.239 354 A C -0.363 177.266 177.584 0.077 0.000 1.068 354 A CA 0.355 52.421 52.037 0.049 0.000 0.766 354 A CB 0.055 19.077 19.000 0.037 0.000 1.003 354 A HN 0.294 nan 8.150 nan 0.000 0.497 355 M N 3.116 122.726 119.600 0.017 0.000 2.072 355 M HA 0.266 4.745 4.480 -0.001 0.000 0.331 355 M C -1.910 174.317 176.300 -0.122 0.000 1.004 355 M CA -1.986 53.279 55.300 -0.058 0.000 0.952 355 M CB 0.751 33.332 32.600 -0.032 0.000 1.511 355 M HN 0.403 nan 8.290 nan 0.000 0.422 356 P HA -0.029 nan 4.420 nan 0.000 0.239 356 P C -0.518 176.699 177.300 -0.138 0.000 1.184 356 P CA 0.452 63.442 63.100 -0.184 0.000 0.760 356 P CB 0.228 31.775 31.700 -0.254 0.000 0.884 357 K N -0.133 120.179 120.400 -0.146 0.000 5.905 357 K HA -0.124 4.195 4.320 -0.001 0.000 0.743 357 K C -1.262 175.306 176.600 -0.053 0.000 1.570 357 K CA 0.282 56.530 56.287 -0.065 0.000 1.628 357 K CB -2.128 30.360 32.500 -0.020 0.000 2.100 357 K HN -0.028 nan 8.250 nan 0.000 0.325 358 I N 5.105 125.651 120.570 -0.041 0.000 2.331 358 I HA 0.367 4.536 4.170 -0.001 0.000 0.292 358 I C -0.012 176.190 176.117 0.142 0.000 0.998 358 I CA -0.691 60.637 61.300 0.046 0.000 1.267 358 I CB 1.003 39.012 38.000 0.015 0.000 1.386 358 I HN 0.346 nan 8.210 nan 0.000 0.476 359 L N 5.814 127.116 121.223 0.132 0.000 2.334 359 L HA 0.792 5.131 4.340 -0.001 0.000 0.276 359 L C 0.107 176.937 176.870 -0.066 0.000 1.014 359 L CA -0.762 54.106 54.840 0.047 0.000 0.815 359 L CB 1.539 43.677 42.059 0.131 0.000 1.268 359 L HN 0.696 nan 8.230 nan 0.000 0.428 360 A N 1.582 124.114 122.820 -0.480 0.000 2.305 360 A HA 0.885 5.204 4.320 -0.001 0.000 0.322 360 A C -0.022 177.092 177.584 -0.782 0.000 1.187 360 A CA -0.035 51.567 52.037 -0.725 0.000 0.825 360 A CB 1.096 19.237 19.000 -1.432 0.000 1.164 360 A HN 0.767 nan 8.150 nan 0.000 0.498 361 G N 0.658 108.970 108.800 -0.814 0.000 2.667 361 G HA2 0.597 4.556 3.960 -0.001 0.000 0.298 361 G HA3 0.597 4.556 3.960 -0.001 0.000 0.298 361 G C -0.957 173.589 174.900 -0.590 0.000 1.377 361 G CA -0.685 43.527 45.100 -1.481 0.000 0.964 361 G HN 0.905 nan 8.290 nan 0.000 0.493 362 R N 0.353 120.606 120.500 -0.411 0.000 2.686 362 R HA 0.752 5.091 4.340 -0.001 0.000 0.286 362 R C -1.240 175.113 176.300 0.089 0.000 0.969 362 R CA -0.807 55.242 56.100 -0.085 0.000 0.898 362 R CB 1.633 31.867 30.300 -0.110 0.000 1.183 362 R HN 0.756 nan 8.270 nan 0.000 0.456 363 Y N 0.106 120.310 120.300 -0.160 0.000 2.728 363 Y HA 0.575 5.124 4.550 -0.001 0.000 0.330 363 Y C 0.556 176.369 175.900 -0.144 0.000 1.234 363 Y CA -1.268 56.746 58.100 -0.142 0.000 1.070 363 Y CB 0.327 38.548 38.460 -0.397 0.000 1.300 363 Y HN 0.734 nan 8.280 nan 0.000 0.467 364 G N 1.161 109.874 108.800 -0.145 0.000 2.473 364 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.307 364 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.307 364 G C -0.509 174.260 174.900 -0.218 0.000 0.937 364 G CA 0.491 45.481 45.100 -0.184 0.000 0.947 364 G HN 0.571 nan 8.290 nan 0.000 0.513 365 L N 0.158 121.286 121.223 -0.158 0.000 2.499 365 L HA 0.474 4.814 4.340 -0.001 0.000 0.273 365 L C 1.671 178.518 176.870 -0.038 0.000 1.195 365 L CA 1.331 56.107 54.840 -0.107 0.000 0.882 365 L CB 0.509 42.529 42.059 -0.063 0.000 1.133 365 L HN 1.087 nan 8.230 nan 0.000 0.483 366 G N 3.110 111.913 108.800 0.004 0.000 2.393 366 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.299 366 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.299 366 G C 0.778 175.729 174.900 0.084 0.000 0.990 366 G CA 0.544 45.702 45.100 0.097 0.000 1.118 366 G HN 0.875 nan 8.290 nan 0.000 0.513 367 S N -2.407 113.346 115.700 0.089 0.000 3.476 367 S HA -0.230 4.239 4.470 -0.001 0.000 0.309 367 S C 1.099 175.686 174.600 -0.021 0.000 1.222 367 S CA 1.839 60.075 58.200 0.060 0.000 0.922 367 S CB -0.624 62.634 63.200 0.096 0.000 1.023 367 S HN 1.434 nan 8.310 nan 0.000 0.591 368 K N 2.536 122.926 120.400 -0.016 0.000 2.448 368 K HA 0.150 4.470 4.320 -0.001 0.000 0.278 368 K C 0.277 176.920 176.600 0.071 0.000 1.009 368 K CA 0.186 56.477 56.287 0.006 0.000 0.995 368 K CB 0.433 32.947 32.500 0.023 0.000 0.917 368 K HN 0.136 nan 8.250 nan 0.000 0.481 369 E N 2.400 122.640 120.200 0.067 0.000 2.442 369 E HA -0.054 4.295 4.350 -0.001 0.000 0.262 369 E C -0.787 175.953 176.600 0.234 0.000 1.004 369 E CA 0.504 56.970 56.400 0.110 0.000 0.928 369 E CB 0.215 29.951 29.700 0.059 0.000 0.937 369 E HN 0.441 nan 8.360 nan 0.000 0.446 370 F N 2.573 122.562 119.950 0.066 0.000 2.676 370 F HA 0.133 4.659 4.527 -0.001 0.000 0.371 370 F C -0.111 175.676 175.800 -0.022 0.000 1.141 370 F CA -0.620 57.419 58.000 0.065 0.000 1.133 370 F CB 0.386 39.487 39.000 0.168 0.000 1.376 370 F HN 0.226 nan 8.300 nan 0.000 0.491 371 S N 4.212 119.712 115.700 -0.334 0.000 2.693 371 S HA 0.570 5.039 4.470 -0.001 0.000 0.276 371 S C -2.155 172.056 174.600 -0.648 0.000 1.192 371 S CA -1.312 56.583 58.200 -0.509 0.000 0.994 371 S CB 1.855 64.872 63.200 -0.305 0.000 1.012 371 S HN 0.304 nan 8.310 nan 0.000 0.550 372 P HA -0.085 nan 4.420 nan 0.000 0.216 372 P C 1.580 178.666 177.300 -0.358 0.000 1.153 372 P CA 2.136 65.024 63.100 -0.353 0.000 0.858 372 P CB -0.253 31.366 31.700 -0.135 0.000 0.789 373 A N -1.324 121.334 122.820 -0.269 0.000 1.978 373 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 373 A C 2.127 179.466 177.584 -0.408 0.000 1.170 373 A CA 1.798 53.622 52.037 -0.355 0.000 0.636 373 A CB -1.342 17.578 19.000 -0.134 0.000 0.810 373 A HN 0.152 nan 8.150 nan 0.000 0.448 374 M N -0.990 118.364 119.600 -0.410 0.000 2.288 374 M HA -0.076 4.403 4.480 -0.001 0.000 0.266 374 M C 2.004 178.008 176.300 -0.493 0.000 1.072 374 M CA 1.003 56.060 55.300 -0.403 0.000 1.132 374 M CB -0.210 32.129 32.600 -0.434 0.000 1.386 374 M HN 0.259 nan 8.290 nan 0.000 0.432 375 V N 0.479 120.012 119.914 -0.635 0.000 2.323 375 V HA -0.234 3.886 4.120 -0.001 0.000 0.244 375 V C 2.305 178.263 176.094 -0.226 0.000 1.041 375 V CA 1.867 63.902 62.300 -0.442 0.000 1.025 375 V CB -0.768 30.851 31.823 -0.340 0.000 0.656 375 V HN 0.390 nan 8.190 nan 0.000 0.451 376 K N 1.056 121.236 120.400 -0.367 0.000 2.074 376 K HA -0.217 4.102 4.320 -0.001 0.000 0.209 376 K C 2.383 178.842 176.600 -0.235 0.000 1.048 376 K CA 2.161 58.225 56.287 -0.370 0.000 0.926 376 K CB -0.856 31.001 32.500 -1.071 0.000 0.713 376 K HN 0.348 nan 8.250 nan 0.000 0.444 377 S N -0.673 114.850 115.700 -0.296 0.000 2.399 377 S HA -0.090 4.379 4.470 -0.001 0.000 0.231 377 S C 1.813 176.271 174.600 -0.236 0.000 1.022 377 S CA 1.305 59.366 58.200 -0.232 0.000 0.983 377 S CB -0.325 62.742 63.200 -0.222 0.000 0.803 377 S HN 0.204 nan 8.310 nan 0.000 0.480 378 V N 0.549 120.320 119.914 -0.238 0.000 2.358 378 V HA -0.109 4.010 4.120 -0.001 0.000 0.246 378 V C 2.041 177.992 176.094 -0.239 0.000 1.047 378 V CA 1.747 63.878 62.300 -0.282 0.000 1.035 378 V CB -0.879 30.842 31.823 -0.170 0.000 0.658 378 V HN 0.554 nan 8.190 nan 0.000 0.452 379 Y N 0.466 120.706 120.300 -0.099 0.000 2.263 379 Y HA -0.140 4.409 4.550 -0.001 0.000 0.292 379 Y C 2.446 178.300 175.900 -0.076 0.000 1.130 379 Y CA 1.336 59.400 58.100 -0.059 0.000 1.179 379 Y CB -0.478 37.955 38.460 -0.045 0.000 0.998 379 Y HN 0.302 nan 8.280 nan 0.000 0.532 380 D N -0.433 119.987 120.400 0.034 0.000 2.144 380 D HA -0.184 4.455 4.640 -0.001 0.000 0.199 380 D C 1.881 178.151 176.300 -0.050 0.000 0.984 380 D CA 1.278 55.267 54.000 -0.017 0.000 0.834 380 D CB -0.561 40.201 40.800 -0.062 0.000 0.955 380 D HN 0.306 nan 8.370 nan 0.000 0.465 381 N N 0.154 118.783 118.700 -0.118 0.000 2.149 381 N HA -0.134 4.605 4.740 -0.001 0.000 0.188 381 N C 1.720 177.188 175.510 -0.071 0.000 1.019 381 N CA 1.019 53.979 53.050 -0.151 0.000 0.857 381 N CB -0.125 38.163 38.487 -0.331 0.000 0.997 381 N HN 0.095 nan 8.380 nan 0.000 0.426 382 M N -0.617 118.968 119.600 -0.024 0.000 2.374 382 M HA -0.075 4.405 4.480 -0.001 0.000 0.264 382 M C 1.727 178.048 176.300 0.035 0.000 1.067 382 M CA 1.300 56.618 55.300 0.029 0.000 1.103 382 M CB -0.137 32.515 32.600 0.087 0.000 1.402 382 M HN 0.372 nan 8.290 nan 0.000 0.444 383 S N -1.228 114.489 115.700 0.028 0.000 2.502 383 S HA 0.186 4.655 4.470 -0.001 0.000 0.215 383 S C 1.303 175.907 174.600 0.007 0.000 1.009 383 S CA 0.162 58.377 58.200 0.024 0.000 0.908 383 S CB 0.085 63.302 63.200 0.028 0.000 0.801 383 S HN 0.391 nan 8.310 nan 0.000 0.505 384 G N 1.295 110.090 108.800 -0.008 0.000 3.223 384 G HA2 0.540 4.499 3.960 -0.001 0.000 0.198 384 G HA3 0.540 4.499 3.960 -0.001 0.000 0.198 384 G C 1.398 176.288 174.900 -0.016 0.000 1.980 384 G CA 0.068 45.159 45.100 -0.015 0.000 0.828 384 G HN 0.552 nan 8.290 nan 0.000 0.680 385 A N -0.323 122.480 122.820 -0.028 0.000 2.070 385 A HA 0.113 4.432 4.320 -0.001 0.000 0.220 385 A C 1.338 178.913 177.584 -0.016 0.000 1.159 385 A CA 1.654 53.677 52.037 -0.023 0.000 0.656 385 A CB -0.617 18.362 19.000 -0.034 0.000 0.800 385 A HN 0.563 nan 8.150 nan 0.000 0.453 386 K N -0.660 119.726 120.400 -0.024 0.000 3.177 386 K HA -0.205 4.114 4.320 -0.001 0.000 0.266 386 K C -0.022 176.587 176.600 0.015 0.000 0.937 386 K CA 1.081 57.366 56.287 -0.004 0.000 0.702 386 K CB -1.357 31.151 32.500 0.012 0.000 1.365 386 K HN 0.764 nan 8.250 nan 0.000 0.466 387 K N 1.528 121.928 120.400 -0.001 0.000 2.412 387 K HA 0.050 4.369 4.320 -0.001 0.000 0.281 387 K C 0.077 176.763 176.600 0.144 0.000 1.027 387 K CA -0.237 56.078 56.287 0.047 0.000 0.989 387 K CB 0.555 33.063 32.500 0.014 0.000 0.935 387 K HN 0.098 nan 8.250 nan 0.000 0.475 388 N N 1.894 120.671 118.700 0.128 0.000 2.477 388 N HA 0.152 4.891 4.740 -0.001 0.000 0.284 388 N C -1.122 174.437 175.510 0.082 0.000 1.182 388 N CA -0.172 52.914 53.050 0.060 0.000 0.949 388 N CB 0.447 38.928 38.487 -0.010 0.000 1.204 388 N HN 0.728 nan 8.380 nan 0.000 0.526 389 H N -0.666 118.352 119.070 -0.088 0.000 2.527 389 H HA -0.216 4.339 4.556 -0.001 0.000 0.321 389 H C -0.455 174.828 175.328 -0.075 0.000 1.092 389 H CA 1.088 57.025 56.048 -0.184 0.000 1.118 389 H CB -1.809 27.861 29.762 -0.153 0.000 1.536 389 H HN 0.374 nan 8.280 nan 0.000 0.407 390 F N -0.955 118.990 119.950 -0.008 0.000 2.375 390 F HA 0.703 5.230 4.527 -0.001 0.000 0.317 390 F C 0.569 176.382 175.800 0.021 0.000 1.124 390 F CA -0.390 57.615 58.000 0.008 0.000 1.050 390 F CB 1.024 40.022 39.000 -0.004 0.000 1.314 390 F HN 0.064 nan 8.300 nan 0.000 0.511 391 T N -0.703 114.054 114.554 0.338 0.000 2.909 391 T HA 0.728 5.077 4.350 -0.001 0.000 0.299 391 T C -1.222 173.707 174.700 0.381 0.000 1.073 391 T CA -0.799 61.438 62.100 0.229 0.000 0.999 391 T CB 1.274 70.216 68.868 0.122 0.000 1.098 391 T HN 0.871 nan 8.240 nan 0.000 0.477 392 V N 0.047 120.171 119.914 0.350 0.000 2.638 392 V HA 0.883 5.003 4.120 -0.001 0.000 0.306 392 V C 1.062 177.308 176.094 0.254 0.000 1.052 392 V CA -0.209 62.279 62.300 0.313 0.000 0.885 392 V CB 0.589 32.667 31.823 0.427 0.000 0.999 392 V HN 1.624 nan 8.190 nan 0.000 0.424 393 G N 3.593 112.490 108.800 0.161 0.000 2.229 393 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.189 393 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.189 393 G C -0.189 174.763 174.900 0.087 0.000 1.000 393 G CA 0.096 45.273 45.100 0.129 0.000 0.663 393 G HN 1.310 nan 8.290 nan 0.000 0.493 394 I N -2.707 117.914 120.570 0.085 0.000 3.145 394 I HA 0.830 4.999 4.170 -0.001 0.000 0.313 394 I C -0.586 175.570 176.117 0.065 0.000 1.122 394 I CA -1.437 59.905 61.300 0.071 0.000 0.987 394 I CB 2.231 40.271 38.000 0.066 0.000 1.236 394 I HN -0.031 nan 8.210 nan 0.000 0.453 395 E N 2.405 122.642 120.200 0.063 0.000 2.063 395 E HA 0.133 4.482 4.350 -0.001 0.000 0.265 395 E C -1.357 175.276 176.600 0.056 0.000 0.919 395 E CA -0.494 55.936 56.400 0.050 0.000 0.756 395 E CB 0.766 30.490 29.700 0.039 0.000 1.120 395 E HN 0.577 nan 8.360 nan 0.000 0.414 396 D N 4.055 124.486 120.400 0.052 0.000 2.393 396 D HA 0.003 4.642 4.640 -0.001 0.000 0.232 396 D C -0.063 176.259 176.300 0.036 0.000 1.192 396 D CA -0.308 53.721 54.000 0.049 0.000 0.882 396 D CB 0.780 41.610 40.800 0.050 0.000 1.038 396 D HN 0.442 nan 8.370 nan 0.000 0.499 397 D N 1.818 122.236 120.400 0.030 0.000 2.395 397 D HA -0.068 4.572 4.640 -0.001 0.000 0.213 397 D C 1.499 177.807 176.300 0.014 0.000 1.110 397 D CA -0.108 53.903 54.000 0.018 0.000 0.835 397 D CB -0.134 40.671 40.800 0.008 0.000 0.965 397 D HN 0.256 nan 8.370 nan 0.000 0.505 398 V N -0.796 119.129 119.914 0.019 0.000 2.581 398 V HA 0.158 4.277 4.120 -0.001 0.000 0.240 398 V C 1.504 177.606 176.094 0.013 0.000 1.054 398 V CA 1.608 63.916 62.300 0.014 0.000 1.076 398 V CB -0.329 31.504 31.823 0.018 0.000 0.748 398 V HN 0.222 nan 8.190 nan 0.000 0.474 399 T N -2.527 112.037 114.554 0.017 0.000 3.182 399 T HA 0.435 4.785 4.350 -0.001 0.000 0.277 399 T C 1.429 176.143 174.700 0.023 0.000 1.013 399 T CA 0.395 62.504 62.100 0.015 0.000 0.900 399 T CB -0.107 68.768 68.868 0.011 0.000 1.098 399 T HN 1.534 nan 8.240 nan 0.000 0.543 400 G N 2.626 111.441 108.800 0.026 0.000 2.422 400 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.301 400 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.301 400 G C 0.841 175.769 174.900 0.046 0.000 0.981 400 G CA 0.935 46.053 45.100 0.031 0.000 0.994 400 G HN 0.911 nan 8.290 nan 0.000 0.514 401 T N -2.669 111.920 114.554 0.059 0.000 3.081 401 T HA 0.412 4.761 4.350 -0.001 0.000 0.250 401 T C 1.451 176.231 174.700 0.132 0.000 1.100 401 T CA 0.839 62.994 62.100 0.091 0.000 1.038 401 T CB 0.159 69.073 68.868 0.078 0.000 0.962 401 T HN 1.307 nan 8.240 nan 0.000 0.516 402 S N 1.546 117.305 115.700 0.098 0.000 2.584 402 S HA 0.594 5.063 4.470 -0.001 0.000 0.273 402 S C -0.276 174.359 174.600 0.058 0.000 1.311 402 S CA -0.954 57.307 58.200 0.103 0.000 1.034 402 S CB 0.596 63.841 63.200 0.076 0.000 0.939 402 S HN 0.152 nan 8.310 nan 0.000 0.513 403 L N 3.469 124.715 121.223 0.039 0.000 2.350 403 L HA 0.513 4.852 4.340 -0.001 0.000 0.275 403 L C -1.845 174.993 176.870 -0.053 0.000 1.099 403 L CA -1.881 52.914 54.840 -0.074 0.000 0.808 403 L CB 0.333 42.268 42.059 -0.206 0.000 1.149 403 L HN 0.617 nan 8.230 nan 0.000 0.442 404 P HA 0.229 nan 4.420 nan 0.000 0.275 404 P C -1.205 176.051 177.300 -0.074 0.000 1.227 404 P CA -0.242 62.826 63.100 -0.053 0.000 0.781 404 P CB 1.380 33.050 31.700 -0.050 0.000 0.906 405 V N 2.610 122.488 119.914 -0.059 0.000 2.588 405 V HA 0.249 4.368 4.120 -0.001 0.000 0.304 405 V C -0.319 175.741 176.094 -0.057 0.000 1.042 405 V CA -0.393 61.860 62.300 -0.079 0.000 0.877 405 V CB 1.961 33.742 31.823 -0.070 0.000 0.996 405 V HN 0.541 nan 8.190 nan 0.000 0.425 406 D N 3.140 123.501 120.400 -0.065 0.000 2.392 406 D HA 0.269 4.909 4.640 -0.001 0.000 0.228 406 D C 0.660 176.960 176.300 0.000 0.000 1.074 406 D CA -0.279 53.707 54.000 -0.023 0.000 0.838 406 D CB 0.960 41.753 40.800 -0.011 0.000 1.067 406 D HN 0.407 nan 8.370 nan 0.000 0.511 407 N N 2.567 121.275 118.700 0.013 0.000 2.521 407 N HA -0.018 4.721 4.740 -0.001 0.000 0.188 407 N C 0.861 176.410 175.510 0.064 0.000 1.146 407 N CA 0.181 53.251 53.050 0.033 0.000 0.893 407 N CB 0.472 38.970 38.487 0.019 0.000 0.975 407 N HN 0.471 nan 8.380 nan 0.000 0.451 408 A N 0.228 123.091 122.820 0.071 0.000 2.278 408 A HA 0.078 4.397 4.320 -0.001 0.000 0.212 408 A C 0.446 178.094 177.584 0.107 0.000 1.213 408 A CA -0.538 51.540 52.037 0.068 0.000 0.840 408 A CB -0.469 18.559 19.000 0.047 0.000 0.866 408 A HN 0.179 nan 8.150 nan 0.000 0.489 409 F N 1.458 121.383 119.950 -0.042 0.000 2.602 409 F HA 0.382 4.908 4.527 -0.001 0.000 0.367 409 F C 0.774 176.532 175.800 -0.070 0.000 1.126 409 F CA -0.722 57.246 58.000 -0.054 0.000 1.321 409 F CB 0.360 39.311 39.000 -0.082 0.000 1.094 409 F HN 0.259 nan 8.300 nan 0.000 0.594 410 A N 4.423 126.871 122.820 -0.620 0.000 2.366 410 A HA 0.162 4.481 4.320 -0.001 0.000 0.249 410 A C -0.316 176.878 177.584 -0.649 0.000 1.084 410 A CA -0.421 51.300 52.037 -0.527 0.000 0.794 410 A CB -0.093 18.684 19.000 -0.372 0.000 1.034 410 A HN 0.817 nan 8.150 nan 0.000 0.491 411 D N -0.041 120.158 120.400 -0.335 0.000 2.493 411 D HA 0.184 4.823 4.640 -0.001 0.000 0.240 411 D C 1.342 177.422 176.300 -0.367 0.000 1.142 411 D CA 1.483 55.344 54.000 -0.232 0.000 0.872 411 D CB 0.618 41.367 40.800 -0.084 0.000 1.173 411 D HN 0.529 nan 8.370 nan 0.000 0.467 412 T N -1.098 113.287 114.554 -0.282 0.000 3.044 412 T HA 0.115 4.464 4.350 -0.001 0.000 0.260 412 T C 0.801 175.482 174.700 -0.031 0.000 1.019 412 T CA -0.123 61.812 62.100 -0.273 0.000 0.921 412 T CB -0.383 68.326 68.868 -0.265 0.000 1.053 412 T HN 0.416 nan 8.240 nan 0.000 0.533 413 T N 1.481 116.050 114.554 0.026 0.000 2.926 413 T HA 0.381 4.730 4.350 -0.001 0.000 0.307 413 T C -2.544 172.179 174.700 0.038 0.000 1.059 413 T CA -1.222 60.911 62.100 0.056 0.000 1.122 413 T CB -0.067 68.832 68.868 0.051 0.000 0.972 413 T HN -0.003 nan 8.240 nan 0.000 0.545 414 P HA 0.069 nan 4.420 nan 0.000 0.267 414 P C -0.061 177.267 177.300 0.046 0.000 1.195 414 P CA -0.224 62.897 63.100 0.036 0.000 0.773 414 P CB 0.374 32.084 31.700 0.017 0.000 0.837 415 K N 1.839 122.269 120.400 0.049 0.000 2.451 415 K HA 0.243 4.562 4.320 -0.001 0.000 0.280 415 K C 0.738 177.376 176.600 0.064 0.000 1.020 415 K CA 0.853 57.172 56.287 0.053 0.000 1.008 415 K CB -0.542 31.987 32.500 0.049 0.000 0.917 415 K HN 0.794 nan 8.250 nan 0.000 0.478 416 G N 2.780 111.621 108.800 0.069 0.000 2.291 416 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.271 416 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.271 416 G C -0.287 174.675 174.900 0.102 0.000 1.099 416 G CA 0.076 45.226 45.100 0.083 0.000 0.919 416 G HN 0.587 nan 8.290 nan 0.000 0.496 417 T N 0.382 114.995 114.554 0.097 0.000 2.792 417 T HA 0.605 4.954 4.350 -0.001 0.000 0.280 417 T C 0.417 175.193 174.700 0.127 0.000 0.990 417 T CA -0.356 61.811 62.100 0.112 0.000 0.960 417 T CB 1.336 70.248 68.868 0.073 0.000 0.939 417 T HN 0.325 nan 8.240 nan 0.000 0.439 418 I N 3.487 124.167 120.570 0.182 0.000 2.365 418 I HA 0.268 4.437 4.170 -0.001 0.000 0.291 418 I C 0.466 176.708 176.117 0.208 0.000 1.004 418 I CA -0.075 61.349 61.300 0.208 0.000 1.311 418 I CB 1.035 39.185 38.000 0.250 0.000 1.401 418 I HN 0.449 nan 8.210 nan 0.000 0.491 419 Q N 5.467 125.372 119.800 0.176 0.000 2.333 419 Q HA 0.592 4.931 4.340 -0.001 0.000 0.268 419 Q C -1.488 174.631 176.000 0.198 0.000 1.007 419 Q CA -0.656 55.234 55.803 0.146 0.000 0.810 419 Q CB 2.060 30.857 28.738 0.098 0.000 1.264 419 Q HN 0.657 nan 8.270 nan 0.000 0.452 420 C N 1.994 121.425 119.300 0.218 0.000 2.563 420 C HA 0.555 5.014 4.460 -0.001 0.000 0.314 420 C C -0.409 174.646 174.990 0.108 0.000 1.199 420 C CA -0.910 58.243 59.018 0.225 0.000 1.564 420 C CB 1.468 29.412 27.740 0.339 0.000 2.173 420 C HN 0.779 nan 8.230 nan 0.000 0.485 421 Q N 0.777 120.553 119.800 -0.041 0.000 2.353 421 Q HA 0.707 5.047 4.340 -0.001 0.000 0.268 421 Q C -1.676 174.193 176.000 -0.219 0.000 1.045 421 Q CA -0.240 55.502 55.803 -0.102 0.000 0.811 421 Q CB 2.227 30.944 28.738 -0.036 0.000 1.305 421 Q HN 0.648 nan 8.270 nan 0.000 0.447 422 F N 0.696 120.586 119.950 -0.101 0.000 2.529 422 F HA 0.430 4.956 4.527 -0.001 0.000 0.320 422 F C -1.050 174.631 175.800 -0.198 0.000 1.118 422 F CA -0.675 57.261 58.000 -0.106 0.000 0.915 422 F CB 1.219 40.123 39.000 -0.160 0.000 1.161 422 F HN 0.453 nan 8.300 nan 0.000 0.445 423 W N 2.530 123.817 121.300 -0.023 0.000 2.296 423 W HA 0.659 5.318 4.660 -0.001 0.000 0.316 423 W C 0.262 176.905 176.519 0.206 0.000 1.022 423 W CA -0.777 56.622 57.345 0.089 0.000 1.324 423 W CB 1.653 31.237 29.460 0.207 0.000 1.227 423 W HN 0.641 nan 8.180 nan 0.000 0.409 424 G N 2.105 111.120 108.800 0.358 0.000 2.644 424 G HA2 0.662 4.621 3.960 -0.001 0.000 0.307 424 G HA3 0.662 4.621 3.960 -0.001 0.000 0.307 424 G C -1.855 173.306 174.900 0.435 0.000 1.250 424 G CA -0.948 44.372 45.100 0.367 0.000 0.996 424 G HN 0.292 nan 8.290 nan 0.000 0.489 425 L N 0.418 121.811 121.223 0.283 0.000 2.343 425 L HA 0.745 5.084 4.340 -0.001 0.000 0.275 425 L C 0.884 177.861 176.870 0.180 0.000 1.056 425 L CA -0.496 54.495 54.840 0.251 0.000 0.804 425 L CB 1.236 43.370 42.059 0.124 0.000 1.203 425 L HN 0.675 nan 8.230 nan 0.000 0.440 426 G N 3.379 112.281 108.800 0.171 0.000 2.340 426 G HA2 0.445 4.404 3.960 -0.001 0.000 0.245 426 G HA3 0.445 4.404 3.960 -0.001 0.000 0.245 426 G C 0.635 175.589 174.900 0.090 0.000 1.294 426 G CA 0.265 45.442 45.100 0.127 0.000 0.896 426 G HN 1.881 nan 8.290 nan 0.000 0.522 427 A N 1.961 124.822 122.820 0.069 0.000 2.952 427 A HA -0.177 4.142 4.320 -0.001 0.000 0.252 427 A C 1.428 179.035 177.584 0.039 0.000 1.323 427 A CA 1.572 53.635 52.037 0.042 0.000 0.957 427 A CB -1.809 17.212 19.000 0.035 0.000 1.130 427 A HN 1.113 nan 8.150 nan 0.000 0.799 428 D N -1.666 118.766 120.400 0.055 0.000 2.349 428 D HA 0.383 5.022 4.640 -0.001 0.000 0.214 428 D C 1.496 177.823 176.300 0.045 0.000 1.063 428 D CA 1.085 55.116 54.000 0.051 0.000 0.847 428 D CB -0.446 40.396 40.800 0.070 0.000 0.933 428 D HN 1.826 nan 8.370 nan 0.000 0.513 429 G N -0.349 108.470 108.800 0.032 0.000 2.175 429 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.244 429 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.244 429 G C 1.234 176.136 174.900 0.003 0.000 0.982 429 G CA 0.610 45.715 45.100 0.010 0.000 0.641 429 G HN 0.340 nan 8.290 nan 0.000 0.527 430 T N 0.733 115.318 114.554 0.051 0.000 2.665 430 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 430 T C 2.497 177.119 174.700 -0.131 0.000 1.035 430 T CA 2.019 64.152 62.100 0.056 0.000 1.151 430 T CB -0.319 68.662 68.868 0.189 0.000 0.862 430 T HN 0.345 nan 8.240 nan 0.000 0.438 431 V N 1.335 121.131 119.914 -0.197 0.000 2.295 431 V HA -0.115 4.004 4.120 -0.001 0.000 0.246 431 V C 2.897 178.755 176.094 -0.392 0.000 1.049 431 V CA 2.069 64.091 62.300 -0.463 0.000 1.024 431 V CB -1.371 30.149 31.823 -0.504 0.000 0.648 431 V HN 0.625 nan 8.190 nan 0.000 0.447 432 G N -0.646 108.020 108.800 -0.223 0.000 2.422 432 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.218 432 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.218 432 G C 1.725 176.560 174.900 -0.109 0.000 1.146 432 G CA 1.007 46.016 45.100 -0.152 0.000 0.769 432 G HN 0.616 nan 8.290 nan 0.000 0.547 433 A N 0.995 123.756 122.820 -0.099 0.000 1.969 433 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 433 A C 2.284 179.795 177.584 -0.121 0.000 1.169 433 A CA 1.705 53.706 52.037 -0.059 0.000 0.635 433 A CB -0.309 18.678 19.000 -0.022 0.000 0.810 433 A HN 0.335 nan 8.150 nan 0.000 0.445 434 N N 0.144 118.707 118.700 -0.228 0.000 2.135 434 N HA -0.095 4.644 4.740 -0.001 0.000 0.186 434 N C 1.596 177.092 175.510 -0.024 0.000 1.027 434 N CA 1.432 54.320 53.050 -0.270 0.000 0.849 434 N CB -0.359 38.005 38.487 -0.205 0.000 1.002 434 N HN 0.520 nan 8.380 nan 0.000 0.425 435 K N 0.561 120.973 120.400 0.019 0.000 2.103 435 K HA -0.074 4.245 4.320 -0.001 0.000 0.207 435 K C 1.884 178.526 176.600 0.069 0.000 1.048 435 K CA 0.925 57.264 56.287 0.088 0.000 0.930 435 K CB 0.069 32.569 32.500 0.001 0.000 0.716 435 K HN 0.113 nan 8.250 nan 0.000 0.444 436 Q N -0.242 119.580 119.800 0.037 0.000 2.245 436 Q HA 0.029 4.368 4.340 -0.001 0.000 0.201 436 Q C 2.000 178.093 176.000 0.156 0.000 0.955 436 Q CA 1.098 56.946 55.803 0.076 0.000 0.870 436 Q CB 0.086 28.858 28.738 0.057 0.000 0.945 436 Q HN 0.313 nan 8.270 nan 0.000 0.461 437 A N 0.361 123.261 122.820 0.134 0.000 1.930 437 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 437 A C 2.091 179.817 177.584 0.235 0.000 1.175 437 A CA 0.920 53.075 52.037 0.197 0.000 0.627 437 A CB -0.482 18.393 19.000 -0.208 0.000 0.815 437 A HN 0.314 nan 8.150 nan 0.000 0.443 438 I N -0.865 119.843 120.570 0.229 0.000 2.252 438 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 438 I C 2.435 178.693 176.117 0.234 0.000 1.102 438 I CA 1.552 63.042 61.300 0.316 0.000 1.385 438 I CB -0.156 37.977 38.000 0.222 0.000 1.064 438 I HN 0.188 nan 8.210 nan 0.000 0.414 439 K N 1.021 121.522 120.400 0.169 0.000 2.057 439 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 439 K C 2.001 178.676 176.600 0.126 0.000 1.049 439 K CA 1.414 57.775 56.287 0.123 0.000 0.931 439 K CB -0.082 32.471 32.500 0.088 0.000 0.714 439 K HN 0.236 nan 8.250 nan 0.000 0.440 440 I N 0.235 120.905 120.570 0.167 0.000 2.163 440 I HA -0.270 3.899 4.170 -0.001 0.000 0.240 440 I C 2.075 178.285 176.117 0.156 0.000 1.081 440 I CA 1.235 62.629 61.300 0.156 0.000 1.353 440 I CB -0.255 37.875 38.000 0.217 0.000 1.054 440 I HN 0.132 nan 8.210 nan 0.000 0.407 441 I N 0.847 121.537 120.570 0.200 0.000 2.202 441 I HA -0.191 3.978 4.170 -0.001 0.000 0.242 441 I C 2.677 178.867 176.117 0.121 0.000 1.091 441 I CA 1.631 63.010 61.300 0.132 0.000 1.368 441 I CB -0.853 37.157 38.000 0.016 0.000 1.058 441 I HN 0.251 nan 8.210 nan 0.000 0.410 442 G N 0.208 109.102 108.800 0.156 0.000 2.432 442 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.219 442 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.219 442 G C 1.100 176.026 174.900 0.043 0.000 1.135 442 G CA 0.952 46.113 45.100 0.101 0.000 0.767 442 G HN 0.305 nan 8.290 nan 0.000 0.550 443 D N -0.173 120.257 120.400 0.050 0.000 2.354 443 D HA 0.049 4.689 4.640 -0.001 0.000 0.209 443 D C 1.450 177.758 176.300 0.013 0.000 1.015 443 D CA 0.282 54.295 54.000 0.022 0.000 0.867 443 D CB 0.152 40.967 40.800 0.025 0.000 0.933 443 D HN 0.240 nan 8.370 nan 0.000 0.520 444 N N -0.137 118.578 118.700 0.024 0.000 2.197 444 N HA 0.043 4.782 4.740 -0.001 0.000 0.228 444 N C 0.109 175.624 175.510 0.009 0.000 1.212 444 N CA 0.201 53.259 53.050 0.013 0.000 0.883 444 N CB 1.722 40.219 38.487 0.016 0.000 1.107 444 N HN 0.186 nan 8.380 nan 0.000 0.519 445 T N -1.765 112.793 114.554 0.006 0.000 2.778 445 T HA 0.356 4.705 4.350 -0.001 0.000 0.293 445 T C -0.992 173.687 174.700 -0.036 0.000 1.144 445 T CA -0.663 61.434 62.100 -0.004 0.000 1.010 445 T CB 1.869 70.744 68.868 0.013 0.000 1.325 445 T HN -0.086 nan 8.240 nan 0.000 0.515 446 D N 0.306 120.673 120.400 -0.056 0.000 2.670 446 D HA 0.333 4.972 4.640 -0.001 0.000 0.255 446 D C 0.094 176.275 176.300 -0.198 0.000 1.286 446 D CA -0.434 53.489 54.000 -0.128 0.000 0.830 446 D CB -0.383 40.361 40.800 -0.093 0.000 1.065 446 D HN 0.475 nan 8.370 nan 0.000 0.486 447 L N -0.003 121.152 121.223 -0.114 0.000 2.379 447 L HA 0.439 4.779 4.340 -0.001 0.000 0.269 447 L C -0.035 176.765 176.870 -0.117 0.000 1.084 447 L CA -1.073 53.746 54.840 -0.034 0.000 0.802 447 L CB 0.744 42.883 42.059 0.135 0.000 1.175 447 L HN -0.095 nan 8.230 nan 0.000 0.448 448 F N 0.956 120.975 119.950 0.114 0.000 2.384 448 F HA 0.565 5.091 4.527 -0.001 0.000 0.338 448 F C 0.551 176.402 175.800 0.084 0.000 1.103 448 F CA -0.267 57.781 58.000 0.079 0.000 1.157 448 F CB 1.249 40.274 39.000 0.042 0.000 1.167 448 F HN 0.404 nan 8.300 nan 0.000 0.529 449 A N 3.098 126.035 122.820 0.195 0.000 2.414 449 A HA 0.697 5.016 4.320 -0.001 0.000 0.306 449 A C -1.221 176.321 177.584 -0.070 0.000 1.054 449 A CA -0.616 51.422 52.037 0.001 0.000 0.724 449 A CB 1.901 20.999 19.000 0.163 0.000 1.267 449 A HN 0.725 nan 8.150 nan 0.000 0.418 450 Q N 0.943 120.590 119.800 -0.256 0.000 2.389 450 Q HA 0.635 4.974 4.340 -0.001 0.000 0.277 450 Q C -0.872 174.978 176.000 -0.250 0.000 1.082 450 Q CA -0.651 55.048 55.803 -0.173 0.000 0.810 450 Q CB 2.397 31.041 28.738 -0.156 0.000 1.374 450 Q HN 1.207 nan 8.270 nan 0.000 0.422 451 G N 1.787 110.483 108.800 -0.173 0.000 2.701 451 G HA2 0.553 4.512 3.960 -0.001 0.000 0.300 451 G HA3 0.553 4.512 3.960 -0.001 0.000 0.300 451 G C -2.485 172.194 174.900 -0.367 0.000 1.410 451 G CA -0.273 44.639 45.100 -0.312 0.000 1.014 451 G HN 0.481 nan 8.290 nan 0.000 0.509 452 Y N 1.615 121.449 120.300 -0.776 0.000 2.441 452 Y HA 0.709 5.259 4.550 -0.001 0.000 0.334 452 Y C -1.819 173.637 175.900 -0.741 0.000 1.061 452 Y CA -1.508 56.247 58.100 -0.575 0.000 1.032 452 Y CB 1.617 39.923 38.460 -0.257 0.000 1.266 452 Y HN 0.491 nan 8.280 nan 0.000 0.441 453 F N 2.589 122.207 119.950 -0.553 0.000 2.522 453 F HA 0.725 5.251 4.527 -0.001 0.000 0.324 453 F C 0.040 175.385 175.800 -0.758 0.000 1.077 453 F CA -0.853 56.821 58.000 -0.543 0.000 0.944 453 F CB 2.310 40.962 39.000 -0.581 0.000 1.175 453 F HN 0.314 nan 8.300 nan 0.000 0.468 454 S N 0.929 116.373 115.700 -0.427 0.000 2.503 454 S HA 0.708 5.177 4.470 -0.001 0.000 0.301 454 S C -1.353 172.934 174.600 -0.522 0.000 1.087 454 S CA -0.604 57.368 58.200 -0.379 0.000 1.042 454 S CB 1.058 64.153 63.200 -0.177 0.000 1.043 454 S HN 0.440 nan 8.310 nan 0.000 0.489 455 Y N 0.181 120.448 120.300 -0.056 0.000 2.686 455 Y HA 0.517 5.066 4.550 -0.001 0.000 0.330 455 Y C 0.346 176.225 175.900 -0.034 0.000 1.082 455 Y CA -1.060 57.020 58.100 -0.033 0.000 1.158 455 Y CB 0.825 39.283 38.460 -0.004 0.000 1.333 455 Y HN 0.454 nan 8.280 nan 0.000 0.519 456 D N -0.932 119.575 120.400 0.179 0.000 2.268 456 D HA 0.233 4.872 4.640 -0.001 0.000 0.249 456 D C 0.296 176.669 176.300 0.122 0.000 1.008 456 D CA -0.038 54.029 54.000 0.112 0.000 0.939 456 D CB 2.241 43.107 40.800 0.111 0.000 1.170 456 D HN 0.495 nan 8.370 nan 0.000 0.468 457 S N 0.351 116.114 115.700 0.104 0.000 2.461 457 S HA -0.008 4.462 4.470 -0.001 0.000 0.228 457 S C 0.434 175.104 174.600 0.116 0.000 1.005 457 S CA 0.298 58.559 58.200 0.102 0.000 0.942 457 S CB 0.143 63.396 63.200 0.087 0.000 0.776 457 S HN 0.262 nan 8.310 nan 0.000 0.514 458 K N 2.202 122.678 120.400 0.126 0.000 2.382 458 K HA 0.157 4.476 4.320 -0.001 0.000 0.275 458 K C 0.687 177.364 176.600 0.128 0.000 1.009 458 K CA 0.259 56.630 56.287 0.139 0.000 0.970 458 K CB 0.470 33.055 32.500 0.142 0.000 0.934 458 K HN 0.173 nan 8.250 nan 0.000 0.479 459 K N 0.262 120.742 120.400 0.133 0.000 2.242 459 K HA 0.081 4.400 4.320 -0.001 0.000 0.200 459 K C 0.373 177.029 176.600 0.094 0.000 1.050 459 K CA 0.446 56.800 56.287 0.111 0.000 0.981 459 K CB 0.417 32.992 32.500 0.126 0.000 0.795 459 K HN 0.282 nan 8.250 nan 0.000 0.477 460 S N -0.915 114.841 115.700 0.093 0.000 2.513 460 S HA 0.465 4.934 4.470 -0.001 0.000 0.299 460 S C 0.123 174.771 174.600 0.080 0.000 1.087 460 S CA -0.193 58.048 58.200 0.069 0.000 1.012 460 S CB 1.705 64.926 63.200 0.035 0.000 1.044 460 S HN 0.501 nan 8.310 nan 0.000 0.485 461 G N 2.323 111.175 108.800 0.087 0.000 2.179 461 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.257 461 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.257 461 G C 0.418 175.417 174.900 0.166 0.000 1.010 461 G CA 0.003 45.173 45.100 0.116 0.000 0.736 461 G HN 1.050 nan 8.290 nan 0.000 0.513 462 G N -0.902 107.992 108.800 0.157 0.000 2.539 462 G HA2 0.533 4.492 3.960 -0.001 0.000 0.258 462 G HA3 0.533 4.492 3.960 -0.001 0.000 0.258 462 G C 0.453 175.473 174.900 0.199 0.000 1.202 462 G CA -0.201 45.001 45.100 0.170 0.000 0.851 462 G HN 0.892 nan 8.290 nan 0.000 0.556 463 I N -0.052 120.611 120.570 0.156 0.000 2.662 463 I HA 0.474 4.643 4.170 -0.001 0.000 0.291 463 I C -0.301 175.824 176.117 0.013 0.000 1.046 463 I CA 0.008 61.360 61.300 0.086 0.000 1.361 463 I CB 1.612 39.503 38.000 -0.183 0.000 1.429 463 I HN 0.369 nan 8.210 nan 0.000 0.558 464 T N 7.461 122.002 114.554 -0.021 0.000 2.916 464 T HA 0.521 4.871 4.350 -0.001 0.000 0.298 464 T C -1.038 173.488 174.700 -0.290 0.000 1.031 464 T CA -0.369 61.654 62.100 -0.129 0.000 0.993 464 T CB 1.403 70.249 68.868 -0.036 0.000 1.045 464 T HN 0.483 nan 8.240 nan 0.000 0.454 465 I N 2.971 123.284 120.570 -0.429 0.000 2.468 465 I HA 0.589 4.758 4.170 -0.001 0.000 0.284 465 I C -0.648 175.221 176.117 -0.414 0.000 1.038 465 I CA -0.034 60.885 61.300 -0.634 0.000 1.083 465 I CB 1.533 38.820 38.000 -1.188 0.000 1.223 465 I HN 0.448 nan 8.210 nan 0.000 0.443 466 S N 5.767 121.316 115.700 -0.252 0.000 2.554 466 S HA 0.552 5.021 4.470 -0.001 0.000 0.278 466 S C -0.859 173.561 174.600 -0.299 0.000 1.242 466 S CA -0.307 57.858 58.200 -0.059 0.000 1.051 466 S CB 0.514 63.844 63.200 0.215 0.000 0.986 466 S HN 0.666 nan 8.310 nan 0.000 0.502 467 H N 1.270 120.257 119.070 -0.137 0.000 2.646 467 H HA 0.553 5.108 4.556 -0.001 0.000 0.328 467 H C -0.691 174.541 175.328 -0.160 0.000 0.998 467 H CA -0.469 55.532 56.048 -0.078 0.000 1.225 467 H CB 0.558 30.272 29.762 -0.081 0.000 1.457 467 H HN 0.340 nan 8.280 nan 0.000 0.505 468 L N 2.925 124.168 121.223 0.035 0.000 2.354 468 L HA 0.687 5.026 4.340 -0.001 0.000 0.269 468 L C -0.093 176.659 176.870 -0.197 0.000 1.005 468 L CA -0.910 53.850 54.840 -0.133 0.000 0.819 468 L CB 2.339 44.395 42.059 -0.006 0.000 1.311 468 L HN 0.470 nan 8.230 nan 0.000 0.423 469 R N 1.653 121.853 120.500 -0.501 0.000 2.621 469 R HA 0.676 5.015 4.340 -0.001 0.000 0.284 469 R C -1.829 174.045 176.300 -0.711 0.000 0.998 469 R CA -0.622 55.252 56.100 -0.377 0.000 0.895 469 R CB 2.558 32.738 30.300 -0.200 0.000 1.195 469 R HN 0.319 nan 8.270 nan 0.000 0.450 470 F N 0.196 120.205 119.950 0.097 0.000 2.556 470 F HA 0.751 5.277 4.527 -0.001 0.000 0.314 470 F C 0.569 176.438 175.800 0.115 0.000 1.106 470 F CA -0.593 57.474 58.000 0.112 0.000 0.911 470 F CB 2.762 41.826 39.000 0.107 0.000 1.190 470 F HN 0.644 nan 8.300 nan 0.000 0.448 471 G N 1.455 110.441 108.800 0.311 0.000 2.576 471 G HA2 0.324 4.284 3.960 -0.001 0.000 0.290 471 G HA3 0.324 4.284 3.960 -0.001 0.000 0.290 471 G C -0.478 174.613 174.900 0.318 0.000 1.442 471 G CA -0.618 44.633 45.100 0.253 0.000 0.792 471 G HN 0.419 nan 8.290 nan 0.000 0.491 472 E N -0.447 119.907 120.200 0.257 0.000 2.478 472 E HA 0.045 4.394 4.350 -0.001 0.000 0.194 472 E C 0.188 177.027 176.600 0.398 0.000 1.045 472 E CA 0.630 57.207 56.400 0.294 0.000 0.868 472 E CB 0.339 30.143 29.700 0.174 0.000 0.885 472 E HN 0.149 nan 8.360 nan 0.000 0.505 473 K N 1.188 121.729 120.400 0.234 0.000 2.221 473 K HA 0.397 4.716 4.320 -0.001 0.000 0.258 473 K C -2.603 173.768 176.600 -0.383 0.000 0.944 473 K CA -2.700 53.573 56.287 -0.023 0.000 0.823 473 K CB 1.170 33.662 32.500 -0.012 0.000 1.113 473 K HN -0.209 nan 8.250 nan 0.000 0.431 474 P HA 0.004 nan 4.420 nan 0.000 0.264 474 P C -0.320 176.736 177.300 -0.406 0.000 1.179 474 P CA 0.368 62.795 63.100 -1.122 0.000 0.763 474 P CB 0.292 31.517 31.700 -0.791 0.000 0.806 475 I N 3.499 123.922 120.570 -0.245 0.000 2.301 475 I HA 0.113 4.282 4.170 -0.001 0.000 0.292 475 I C 1.200 177.276 176.117 -0.069 0.000 1.046 475 I CA 0.274 61.512 61.300 -0.104 0.000 1.282 475 I CB 0.403 38.367 38.000 -0.061 0.000 1.409 475 I HN 0.284 nan 8.210 nan 0.000 0.484 476 Q N 3.660 123.438 119.800 -0.036 0.000 2.189 476 Q HA 0.176 4.515 4.340 -0.001 0.000 0.221 476 Q C -0.025 176.010 176.000 0.058 0.000 0.848 476 Q CA -0.131 55.683 55.803 0.017 0.000 1.007 476 Q CB 0.466 29.228 28.738 0.039 0.000 1.116 476 Q HN 0.603 nan 8.270 nan 0.000 0.481 477 S N 1.814 117.502 115.700 -0.020 0.000 3.869 477 S HA 0.031 4.500 4.470 -0.001 0.000 0.241 477 S C 0.709 175.173 174.600 -0.226 0.000 1.363 477 S CA -0.287 57.839 58.200 -0.124 0.000 0.894 477 S CB -0.173 62.782 63.200 -0.408 0.000 1.519 477 S HN 0.278 nan 8.310 nan 0.000 0.470 478 T N 0.858 115.443 114.554 0.052 0.000 4.099 478 T HA 0.357 4.706 4.350 -0.001 0.000 0.223 478 T C -0.239 174.503 174.700 0.070 0.000 0.968 478 T CA -0.548 61.560 62.100 0.013 0.000 0.966 478 T CB -1.224 67.703 68.868 0.097 0.000 1.328 478 T HN 0.578 nan 8.240 nan 0.000 0.783 479 Y N -1.554 118.655 120.300 -0.152 0.000 2.609 479 Y HA 0.664 5.213 4.550 -0.001 0.000 0.336 479 Y C -0.787 174.964 175.900 -0.248 0.000 1.129 479 Y CA -2.302 55.693 58.100 -0.176 0.000 1.040 479 Y CB 0.647 39.055 38.460 -0.086 0.000 1.310 479 Y HN 0.031 nan 8.280 nan 0.000 0.460 480 L N 1.619 122.696 121.223 -0.244 0.000 2.473 480 L HA 0.264 4.603 4.340 -0.001 0.000 0.265 480 L C -0.033 176.721 176.870 -0.192 0.000 1.243 480 L CA -0.965 53.620 54.840 -0.425 0.000 0.822 480 L CB 0.263 42.064 42.059 -0.431 0.000 1.101 480 L HN 0.543 nan 8.230 nan 0.000 0.507 481 V N 1.450 121.357 119.914 -0.012 0.000 2.488 481 V HA 0.025 4.144 4.120 -0.001 0.000 0.277 481 V C 0.460 176.656 176.094 0.170 0.000 1.046 481 V CA 0.033 62.396 62.300 0.106 0.000 0.986 481 V CB 0.994 32.937 31.823 0.200 0.000 0.989 481 V HN 0.958 nan 8.190 nan 0.000 0.475 482 N N 3.322 122.116 118.700 0.157 0.000 2.159 482 N HA 0.135 4.874 4.740 -0.001 0.000 0.217 482 N C 0.295 175.870 175.510 0.107 0.000 1.223 482 N CA -0.265 52.868 53.050 0.140 0.000 0.896 482 N CB 0.593 39.163 38.487 0.138 0.000 1.064 482 N HN 0.367 nan 8.380 nan 0.000 0.518 483 R N 1.149 121.711 120.500 0.102 0.000 2.547 483 R HA 0.486 4.825 4.340 -0.001 0.000 0.280 483 R C -0.996 175.355 176.300 0.084 0.000 1.630 483 R CA -0.441 55.705 56.100 0.076 0.000 1.470 483 R CB 1.098 31.434 30.300 0.060 0.000 1.178 483 R HN 0.233 nan 8.270 nan 0.000 0.591 484 A N 1.174 124.047 122.820 0.088 0.000 2.354 484 A HA 0.218 4.537 4.320 -0.001 0.000 0.269 484 A C 0.629 178.282 177.584 0.116 0.000 1.109 484 A CA -0.261 51.839 52.037 0.105 0.000 0.800 484 A CB 0.480 19.542 19.000 0.102 0.000 1.045 484 A HN 0.465 nan 8.150 nan 0.000 0.489 485 D N -0.518 119.974 120.400 0.153 0.000 2.301 485 D HA 0.041 4.680 4.640 -0.001 0.000 0.206 485 D C -0.730 175.718 176.300 0.247 0.000 0.979 485 D CA 1.533 55.640 54.000 0.178 0.000 0.874 485 D CB 0.286 41.195 40.800 0.182 0.000 0.968 485 D HN 0.581 nan 8.370 nan 0.000 0.510 486 Y N 1.013 121.361 120.300 0.080 0.000 2.354 486 Y HA 0.347 4.896 4.550 -0.001 0.000 0.330 486 Y C -1.459 174.438 175.900 -0.005 0.000 1.011 486 Y CA -0.705 57.428 58.100 0.055 0.000 1.099 486 Y CB 1.486 39.974 38.460 0.047 0.000 1.179 486 Y HN -0.403 nan 8.280 nan 0.000 0.442 487 V N 5.479 125.227 119.914 -0.276 0.000 2.487 487 V HA 0.846 4.965 4.120 -0.001 0.000 0.298 487 V C -0.574 175.402 176.094 -0.196 0.000 1.028 487 V CA -0.581 61.642 62.300 -0.129 0.000 0.860 487 V CB 1.429 33.285 31.823 0.055 0.000 0.991 487 V HN 0.892 nan 8.190 nan 0.000 0.427 488 A N 3.507 126.219 122.820 -0.179 0.000 2.304 488 A HA 0.646 4.965 4.320 -0.001 0.000 0.314 488 A C -0.510 177.177 177.584 0.171 0.000 1.187 488 A CA -0.411 51.597 52.037 -0.049 0.000 0.810 488 A CB 1.211 20.186 19.000 -0.042 0.000 1.183 488 A HN 0.970 nan 8.150 nan 0.000 0.487 489 C N 3.670 123.123 119.300 0.256 0.000 2.258 489 C HA 0.518 4.977 4.460 -0.001 0.000 0.321 489 C C 0.911 176.088 174.990 0.311 0.000 1.168 489 C CA -0.370 58.837 59.018 0.314 0.000 1.531 489 C CB -1.506 26.426 27.740 0.319 0.000 2.095 489 C HN 1.018 nan 8.230 nan 0.000 0.449 490 H N 2.778 121.964 119.070 0.194 0.000 2.551 490 H HA 0.077 4.632 4.556 -0.001 0.000 0.266 490 H C 0.624 175.907 175.328 -0.076 0.000 0.977 490 H CA 0.282 56.374 56.048 0.072 0.000 1.163 490 H CB 0.339 30.186 29.762 0.143 0.000 1.381 490 H HN 0.697 nan 8.280 nan 0.000 0.581 491 N N 1.148 119.789 118.700 -0.099 0.000 2.531 491 N HA 0.069 4.808 4.740 -0.001 0.000 0.268 491 N C -1.993 173.322 175.510 -0.325 0.000 1.023 491 N CA -2.133 50.693 53.050 -0.373 0.000 0.896 491 N CB 1.541 39.484 38.487 -0.905 0.000 1.233 491 N HN -0.127 nan 8.380 nan 0.000 0.512 492 P HA -0.163 nan 4.420 nan 0.000 0.221 492 P C 0.821 178.168 177.300 0.078 0.000 1.145 492 P CA 0.856 63.815 63.100 -0.235 0.000 0.795 492 P CB 0.242 31.513 31.700 -0.715 0.000 0.775 493 A N -1.249 121.588 122.820 0.029 0.000 2.119 493 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 493 A C 1.810 179.568 177.584 0.290 0.000 1.153 493 A CA 0.713 52.855 52.037 0.174 0.000 0.692 493 A CB -1.368 17.705 19.000 0.122 0.000 0.799 493 A HN 0.057 nan 8.150 nan 0.000 0.458 494 Y N -1.068 119.341 120.300 0.181 0.000 2.439 494 Y HA -0.049 4.500 4.550 -0.001 0.000 0.292 494 Y C 2.466 178.404 175.900 0.064 0.000 1.130 494 Y CA -0.036 58.182 58.100 0.198 0.000 1.254 494 Y CB -1.119 37.503 38.460 0.270 0.000 1.000 494 Y HN 0.144 nan 8.280 nan 0.000 0.554 495 V N -0.333 119.741 119.914 0.266 0.000 2.392 495 V HA -0.246 3.873 4.120 -0.001 0.000 0.249 495 V C 2.292 178.423 176.094 0.062 0.000 1.059 495 V CA 2.265 64.671 62.300 0.177 0.000 1.051 495 V CB -0.906 31.110 31.823 0.322 0.000 0.658 495 V HN 0.498 nan 8.190 nan 0.000 0.455 496 G N -0.947 107.896 108.800 0.072 0.000 2.838 496 G HA2 0.018 3.977 3.960 -0.001 0.000 0.210 496 G HA3 0.018 3.977 3.960 -0.001 0.000 0.210 496 G C 1.287 176.138 174.900 -0.081 0.000 1.153 496 G CA 0.729 45.820 45.100 -0.014 0.000 0.778 496 G HN 0.643 nan 8.290 nan 0.000 0.539 497 I N -4.363 116.120 120.570 -0.144 0.000 3.883 497 I HA 0.436 4.605 4.170 -0.001 0.000 0.305 497 I C 0.140 175.979 176.117 -0.463 0.000 1.247 497 I CA -0.376 60.712 61.300 -0.352 0.000 1.350 497 I CB 0.325 38.019 38.000 -0.510 0.000 1.194 497 I HN -0.148 nan 8.210 nan 0.000 0.441 498 Y N 1.420 121.663 120.300 -0.095 0.000 2.567 498 Y HA 0.458 5.007 4.550 -0.001 0.000 0.333 498 Y C -0.049 175.690 175.900 -0.267 0.000 1.106 498 Y CA -1.248 56.741 58.100 -0.184 0.000 1.157 498 Y CB 0.518 38.768 38.460 -0.350 0.000 1.277 498 Y HN -0.124 nan 8.280 nan 0.000 0.490 499 D N 1.972 122.367 120.400 -0.009 0.000 2.713 499 D HA 0.116 4.755 4.640 -0.001 0.000 0.229 499 D C 1.097 177.259 176.300 -0.231 0.000 1.136 499 D CA 0.210 54.151 54.000 -0.098 0.000 1.010 499 D CB -0.090 40.706 40.800 -0.006 0.000 1.084 499 D HN 0.387 nan 8.370 nan 0.000 0.495 500 I N 0.946 121.221 120.570 -0.492 0.000 2.248 500 I HA -0.256 3.913 4.170 -0.001 0.000 0.248 500 I C 1.720 177.600 176.117 -0.395 0.000 1.107 500 I CA 0.724 61.584 61.300 -0.733 0.000 1.373 500 I CB -0.520 37.088 38.000 -0.653 0.000 1.055 500 I HN 0.320 nan 8.210 nan 0.000 0.418 501 L N 0.554 121.550 121.223 -0.378 0.000 2.628 501 L HA 0.182 4.522 4.340 -0.001 0.000 0.229 501 L C 1.151 177.928 176.870 -0.154 0.000 1.137 501 L CA -0.028 54.614 54.840 -0.330 0.000 0.909 501 L CB -1.007 40.773 42.059 -0.465 0.000 1.137 501 L HN 0.267 nan 8.230 nan 0.000 0.470 502 E N 0.088 120.243 120.200 -0.075 0.000 2.465 502 E HA 0.179 4.528 4.350 -0.001 0.000 0.260 502 E C 1.310 177.917 176.600 0.012 0.000 0.980 502 E CA 0.778 57.168 56.400 -0.017 0.000 0.927 502 E CB 0.239 29.957 29.700 0.031 0.000 0.934 502 E HN 0.415 nan 8.360 nan 0.000 0.459 503 G N 4.362 113.165 108.800 0.005 0.000 2.196 503 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.268 503 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.268 503 G C 0.452 175.366 174.900 0.023 0.000 0.975 503 G CA 0.369 45.483 45.100 0.023 0.000 0.648 503 G HN 0.697 nan 8.290 nan 0.000 0.538 504 I N 0.891 121.461 120.570 -0.000 0.000 2.775 504 I HA 0.233 4.402 4.170 -0.001 0.000 0.290 504 I C 0.976 177.106 176.117 0.023 0.000 1.203 504 I CA -0.077 61.228 61.300 0.010 0.000 1.433 504 I CB 0.295 38.274 38.000 -0.035 0.000 1.354 504 I HN 0.158 nan 8.210 nan 0.000 0.579 505 K N 5.132 125.561 120.400 0.049 0.000 2.380 505 K HA 0.015 4.334 4.320 -0.001 0.000 0.267 505 K C -0.494 176.137 176.600 0.053 0.000 0.990 505 K CA -0.101 56.217 56.287 0.051 0.000 0.946 505 K CB 0.202 32.742 32.500 0.068 0.000 0.937 505 K HN 0.528 nan 8.250 nan 0.000 0.491 506 D N 0.535 120.963 120.400 0.048 0.000 2.493 506 D HA 0.114 4.753 4.640 -0.001 0.000 0.240 506 D C 0.984 177.330 176.300 0.077 0.000 1.142 506 D CA 1.828 55.860 54.000 0.053 0.000 0.872 506 D CB 0.501 41.329 40.800 0.047 0.000 1.173 506 D HN 0.659 nan 8.370 nan 0.000 0.467 507 G N 1.987 110.845 108.800 0.096 0.000 2.162 507 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.260 507 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.260 507 G C 0.748 175.737 174.900 0.147 0.000 0.976 507 G CA 0.000 45.174 45.100 0.123 0.000 0.655 507 G HN 0.803 nan 8.290 nan 0.000 0.533 508 G N -0.650 108.233 108.800 0.138 0.000 2.634 508 G HA2 0.608 4.567 3.960 -0.001 0.000 0.255 508 G HA3 0.608 4.567 3.960 -0.001 0.000 0.255 508 G C 0.407 175.435 174.900 0.215 0.000 1.205 508 G CA 0.864 46.061 45.100 0.162 0.000 0.884 508 G HN 1.359 nan 8.290 nan 0.000 0.549 509 T N -1.787 112.912 114.554 0.242 0.000 2.867 509 T HA 0.576 4.925 4.350 -0.001 0.000 0.282 509 T C -1.132 173.704 174.700 0.227 0.000 1.000 509 T CA -0.720 61.565 62.100 0.308 0.000 1.042 509 T CB 1.145 70.232 68.868 0.364 0.000 0.973 509 T HN 0.469 nan 8.240 nan 0.000 0.465 510 F N 6.164 126.211 119.950 0.162 0.000 2.496 510 F HA 0.570 5.096 4.527 -0.001 0.000 0.341 510 F C -0.819 175.119 175.800 0.229 0.000 1.134 510 F CA -1.694 56.364 58.000 0.096 0.000 0.968 510 F CB 1.221 40.317 39.000 0.160 0.000 1.205 510 F HN 0.646 nan 8.300 nan 0.000 0.436 511 V N 7.166 126.950 119.914 -0.217 0.000 2.472 511 V HA 0.795 4.914 4.120 -0.001 0.000 0.290 511 V C -1.734 174.112 176.094 -0.412 0.000 1.037 511 V CA -0.609 61.543 62.300 -0.246 0.000 0.908 511 V CB 1.408 33.153 31.823 -0.130 0.000 0.985 511 V HN 0.825 nan 8.190 nan 0.000 0.454 512 L N 4.991 125.963 121.223 -0.419 0.000 2.365 512 L HA 0.559 4.898 4.340 -0.001 0.000 0.273 512 L C -0.358 176.393 176.870 -0.200 0.000 1.000 512 L CA -0.334 54.313 54.840 -0.322 0.000 0.819 512 L CB 1.835 43.691 42.059 -0.338 0.000 1.284 512 L HN 0.941 nan 8.230 nan 0.000 0.418 513 N N 3.349 121.962 118.700 -0.144 0.000 2.414 513 N HA 0.608 5.347 4.740 -0.001 0.000 0.256 513 N C -1.239 174.075 175.510 -0.328 0.000 1.029 513 N CA 0.178 53.119 53.050 -0.182 0.000 0.948 513 N CB 0.628 39.040 38.487 -0.125 0.000 1.102 513 N HN 0.831 nan 8.380 nan 0.000 0.496 514 S N 2.807 118.262 115.700 -0.409 0.000 2.597 514 S HA 0.328 4.797 4.470 -0.001 0.000 0.274 514 S C -2.857 171.418 174.600 -0.542 0.000 1.132 514 S CA -0.813 56.939 58.200 -0.746 0.000 0.835 514 S CB 2.117 64.561 63.200 -1.261 0.000 1.092 514 S HN 0.447 nan 8.310 nan 0.000 0.457 515 P HA 0.250 nan 4.420 nan 0.000 0.262 515 P C -0.386 176.884 177.300 -0.049 0.000 1.304 515 P CA 0.057 63.003 63.100 -0.256 0.000 0.859 515 P CB -0.138 31.445 31.700 -0.195 0.000 1.310 516 W N 1.535 122.801 121.300 -0.057 0.000 1.395 516 W HA 0.214 4.873 4.660 -0.001 0.000 0.451 516 W C 0.930 177.523 176.519 0.124 0.000 0.619 516 W CA -0.512 56.828 57.345 -0.009 0.000 2.212 516 W CB -1.428 27.996 29.460 -0.060 0.000 1.537 516 W HN 0.033 nan 8.180 nan 0.000 0.275 517 S N 0.471 116.346 115.700 0.292 0.000 2.402 517 S HA -0.113 4.356 4.470 -0.001 0.000 0.229 517 S C 1.318 176.120 174.600 0.337 0.000 1.021 517 S CA 0.902 59.276 58.200 0.290 0.000 0.974 517 S CB -0.100 63.190 63.200 0.150 0.000 0.800 517 S HN 0.372 nan 8.310 nan 0.000 0.484 518 S N 1.546 117.416 115.700 0.283 0.000 2.617 518 S HA 0.399 4.868 4.470 -0.001 0.000 0.269 518 S C 0.894 175.704 174.600 0.350 0.000 1.292 518 S CA -0.791 57.545 58.200 0.227 0.000 1.010 518 S CB 0.981 64.279 63.200 0.164 0.000 0.944 518 S HN 0.091 nan 8.310 nan 0.000 0.536 519 L N 1.454 122.844 121.223 0.278 0.000 1.989 519 L HA -0.082 4.257 4.340 -0.001 0.000 0.211 519 L C 2.609 179.691 176.870 0.354 0.000 1.071 519 L CA 2.449 57.525 54.840 0.394 0.000 0.749 519 L CB -1.275 40.917 42.059 0.221 0.000 0.890 519 L HN 1.053 nan 8.230 nan 0.000 0.431 520 E N -0.866 119.471 120.200 0.229 0.000 2.097 520 E HA -0.292 4.057 4.350 -0.001 0.000 0.196 520 E C 1.689 178.398 176.600 0.182 0.000 1.000 520 E CA 1.821 58.325 56.400 0.174 0.000 0.804 520 E CB -0.130 29.645 29.700 0.124 0.000 0.740 520 E HN 0.594 nan 8.360 nan 0.000 0.454 521 D N 0.182 120.720 120.400 0.230 0.000 2.084 521 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 521 D C 1.943 178.382 176.300 0.231 0.000 0.990 521 D CA 1.268 55.419 54.000 0.252 0.000 0.826 521 D CB -0.382 40.599 40.800 0.302 0.000 0.971 521 D HN 0.215 nan 8.370 nan 0.000 0.453 522 M N 1.126 120.925 119.600 0.333 0.000 2.108 522 M HA -0.158 4.321 4.480 -0.001 0.000 0.261 522 M C 1.215 177.610 176.300 0.159 0.000 1.066 522 M CA 1.508 56.991 55.300 0.305 0.000 1.107 522 M CB -0.312 32.551 32.600 0.438 0.000 1.356 522 M HN -0.191 nan 8.290 nan 0.000 0.406 523 D N -0.215 120.329 120.400 0.240 0.000 2.117 523 D HA -0.184 4.455 4.640 -0.001 0.000 0.197 523 D C 1.959 178.216 176.300 -0.073 0.000 0.987 523 D CA 1.190 55.254 54.000 0.106 0.000 0.829 523 D CB -0.295 40.627 40.800 0.204 0.000 0.961 523 D HN 0.429 nan 8.370 nan 0.000 0.460 524 K N -0.350 120.004 120.400 -0.076 0.000 2.097 524 K HA -0.137 4.182 4.320 -0.001 0.000 0.205 524 K C 1.382 177.707 176.600 -0.458 0.000 1.050 524 K CA 1.101 57.245 56.287 -0.237 0.000 0.938 524 K CB 0.038 32.404 32.500 -0.223 0.000 0.718 524 K HN 0.253 nan 8.250 nan 0.000 0.442 525 H N -1.107 117.649 119.070 -0.523 0.000 2.595 525 H HA 0.144 4.699 4.556 -0.001 0.000 0.265 525 H C -0.586 174.370 175.328 -0.620 0.000 0.953 525 H CA -0.256 55.292 56.048 -0.833 0.000 1.197 525 H CB 0.492 29.055 29.762 -1.999 0.000 1.438 525 H HN -0.033 nan 8.280 nan 0.000 0.531 526 L N 2.798 123.835 121.223 -0.311 0.000 2.276 526 L HA 0.311 4.650 4.340 -0.001 0.000 0.286 526 L C -2.253 174.441 176.870 -0.293 0.000 1.061 526 L CA -2.479 52.208 54.840 -0.255 0.000 0.807 526 L CB 0.883 42.754 42.059 -0.314 0.000 1.177 526 L HN -0.061 nan 8.230 nan 0.000 0.429 527 P HA 0.149 nan 4.420 nan 0.000 0.272 527 P C 0.477 177.605 177.300 -0.287 0.000 1.223 527 P CA -0.251 62.714 63.100 -0.224 0.000 0.784 527 P CB 0.583 32.179 31.700 -0.172 0.000 0.923 528 S N 1.154 116.702 115.700 -0.254 0.000 2.400 528 S HA -0.157 4.312 4.470 -0.001 0.000 0.232 528 S C 2.184 176.632 174.600 -0.253 0.000 1.025 528 S CA 1.390 59.429 58.200 -0.270 0.000 0.993 528 S CB -1.793 61.295 63.200 -0.186 0.000 0.808 528 S HN 0.585 nan 8.310 nan 0.000 0.478 529 G N 1.850 110.526 108.800 -0.207 0.000 2.442 529 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.219 529 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.219 529 G C 1.402 176.163 174.900 -0.232 0.000 1.141 529 G CA 0.989 45.978 45.100 -0.185 0.000 0.763 529 G HN 0.587 nan 8.290 nan 0.000 0.554 530 I N -0.046 120.354 120.570 -0.284 0.000 2.500 530 I HA -0.064 4.106 4.170 -0.001 0.000 0.252 530 I C 2.697 178.558 176.117 -0.427 0.000 1.142 530 I CA 0.832 61.926 61.300 -0.344 0.000 1.451 530 I CB -0.127 37.685 38.000 -0.314 0.000 1.093 530 I HN 0.151 nan 8.210 nan 0.000 0.430 531 K N 0.537 120.621 120.400 -0.528 0.000 2.057 531 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 531 K C 2.269 178.726 176.600 -0.239 0.000 1.050 531 K CA 1.069 56.958 56.287 -0.664 0.000 0.935 531 K CB -0.085 31.709 32.500 -1.176 0.000 0.715 531 K HN 0.042 nan 8.250 nan 0.000 0.439 532 R N 0.596 120.978 120.500 -0.197 0.000 2.073 532 R HA -0.059 4.280 4.340 -0.001 0.000 0.234 532 R C 2.317 178.562 176.300 -0.092 0.000 1.134 532 R CA 1.797 57.844 56.100 -0.088 0.000 0.952 532 R CB -0.853 29.393 30.300 -0.090 0.000 0.850 532 R HN 0.149 nan 8.270 nan 0.000 0.433 533 T N 0.788 115.251 114.554 -0.152 0.000 2.684 533 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 533 T C 1.815 176.422 174.700 -0.155 0.000 1.036 533 T CA 1.595 63.605 62.100 -0.150 0.000 1.148 533 T CB -0.242 68.504 68.868 -0.203 0.000 0.863 533 T HN 0.135 nan 8.240 nan 0.000 0.436 534 I N 1.167 121.597 120.570 -0.234 0.000 2.208 534 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 534 I C 2.860 178.803 176.117 -0.291 0.000 1.097 534 I CA 1.235 62.352 61.300 -0.305 0.000 1.363 534 I CB -0.434 37.279 38.000 -0.478 0.000 1.051 534 I HN 0.216 nan 8.210 nan 0.000 0.413 535 A N 0.797 123.524 122.820 -0.156 0.000 1.898 535 A HA -0.157 4.162 4.320 -0.001 0.000 0.214 535 A C 1.984 179.641 177.584 0.122 0.000 1.183 535 A CA 1.817 53.905 52.037 0.086 0.000 0.622 535 A CB -0.787 18.350 19.000 0.228 0.000 0.824 535 A HN 0.450 nan 8.150 nan 0.000 0.444 536 N N -0.503 118.228 118.700 0.052 0.000 2.300 536 N HA -0.019 4.720 4.740 -0.001 0.000 0.179 536 N C 1.275 176.812 175.510 0.045 0.000 1.016 536 N CA 0.774 53.853 53.050 0.048 0.000 0.876 536 N CB 0.011 38.510 38.487 0.019 0.000 0.979 536 N HN 0.327 nan 8.380 nan 0.000 0.432 537 K N 1.051 121.467 120.400 0.026 0.000 2.458 537 K HA 0.115 4.434 4.320 -0.001 0.000 0.194 537 K C -0.383 176.265 176.600 0.079 0.000 1.024 537 K CA 0.154 56.462 56.287 0.035 0.000 1.108 537 K CB 0.330 32.832 32.500 0.003 0.000 0.846 537 K HN 0.092 nan 8.250 nan 0.000 0.518 538 K N 1.487 121.959 120.400 0.121 0.000 3.156 538 K HA -0.174 4.145 4.320 -0.001 0.000 0.266 538 K C -0.470 176.261 176.600 0.218 0.000 0.966 538 K CA 0.363 56.767 56.287 0.195 0.000 0.719 538 K CB -1.658 30.927 32.500 0.142 0.000 1.333 538 K HN 0.258 nan 8.250 nan 0.000 0.468 539 L N 0.831 122.184 121.223 0.217 0.000 2.397 539 L HA 0.157 4.496 4.340 -0.001 0.000 0.271 539 L C 0.843 177.937 176.870 0.373 0.000 1.148 539 L CA -0.257 54.728 54.840 0.241 0.000 0.825 539 L CB 0.526 42.691 42.059 0.177 0.000 1.117 539 L HN 0.057 nan 8.230 nan 0.000 0.456 540 K N 3.112 123.713 120.400 0.334 0.000 2.220 540 K HA 0.186 4.505 4.320 -0.001 0.000 0.283 540 K C -0.662 176.187 176.600 0.415 0.000 1.098 540 K CA -0.221 56.248 56.287 0.304 0.000 0.928 540 K CB 0.192 32.877 32.500 0.308 0.000 1.214 540 K HN 0.221 nan 8.250 nan 0.000 0.442 541 F N 3.538 123.630 119.950 0.238 0.000 2.394 541 F HA 0.307 4.834 4.527 -0.001 0.000 0.340 541 F C -0.989 174.846 175.800 0.057 0.000 1.105 541 F CA -1.011 57.145 58.000 0.260 0.000 1.124 541 F CB 0.476 39.698 39.000 0.370 0.000 1.145 541 F HN 0.319 nan 8.300 nan 0.000 0.505 542 Y N 4.132 124.249 120.300 -0.304 0.000 2.373 542 Y HA 0.288 4.837 4.550 -0.001 0.000 0.336 542 Y C -0.397 175.130 175.900 -0.622 0.000 0.979 542 Y CA -1.021 56.863 58.100 -0.360 0.000 1.080 542 Y CB 1.622 40.007 38.460 -0.125 0.000 1.190 542 Y HN 0.629 nan 8.280 nan 0.000 0.446 543 N N 3.139 121.623 118.700 -0.361 0.000 2.405 543 N HA 0.710 5.449 4.740 -0.001 0.000 0.299 543 N C -1.700 173.760 175.510 -0.084 0.000 1.075 543 N CA -0.507 52.369 53.050 -0.289 0.000 0.884 543 N CB 1.204 39.558 38.487 -0.222 0.000 1.194 543 N HN 0.718 nan 8.380 nan 0.000 0.491 544 I N 1.587 122.096 120.570 -0.102 0.000 2.649 544 I HA 0.212 4.381 4.170 -0.001 0.000 0.289 544 I C -1.559 174.496 176.117 -0.104 0.000 1.222 544 I CA -0.658 60.604 61.300 -0.065 0.000 1.046 544 I CB 1.529 39.502 38.000 -0.045 0.000 1.272 544 I HN 0.517 nan 8.210 nan 0.000 0.425 545 D N 6.613 126.961 120.400 -0.088 0.000 2.470 545 D HA 0.305 4.944 4.640 -0.001 0.000 0.226 545 D C 0.948 177.191 176.300 -0.095 0.000 1.196 545 D CA 0.323 54.254 54.000 -0.115 0.000 0.979 545 D CB 1.524 42.275 40.800 -0.083 0.000 1.059 545 D HN 0.659 nan 8.370 nan 0.000 0.515 546 A N 3.116 125.869 122.820 -0.112 0.000 1.969 546 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 546 A C 2.191 179.726 177.584 -0.082 0.000 1.169 546 A CA 0.819 52.800 52.037 -0.095 0.000 0.635 546 A CB -0.103 18.828 19.000 -0.115 0.000 0.810 546 A HN 0.470 nan 8.150 nan 0.000 0.445 547 V N -0.107 119.753 119.914 -0.091 0.000 2.548 547 V HA -0.192 3.927 4.120 -0.001 0.000 0.249 547 V C 2.446 178.506 176.094 -0.056 0.000 1.055 547 V CA 2.188 64.444 62.300 -0.072 0.000 1.065 547 V CB -0.505 31.271 31.823 -0.079 0.000 0.681 547 V HN 0.658 nan 8.190 nan 0.000 0.462 548 K N 0.197 120.562 120.400 -0.057 0.000 2.031 548 K HA -0.074 4.245 4.320 -0.001 0.000 0.205 548 K C 2.092 178.670 176.600 -0.037 0.000 1.049 548 K CA 1.419 57.681 56.287 -0.041 0.000 0.939 548 K CB -0.168 32.310 32.500 -0.037 0.000 0.717 548 K HN 0.383 nan 8.250 nan 0.000 0.438 549 I N 1.122 121.668 120.570 -0.040 0.000 2.226 549 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 549 I C 2.434 178.527 176.117 -0.040 0.000 1.100 549 I CA 1.161 62.439 61.300 -0.037 0.000 1.374 549 I CB -0.341 37.637 38.000 -0.037 0.000 1.057 549 I HN 0.230 nan 8.210 nan 0.000 0.413 550 A N 0.151 122.945 122.820 -0.044 0.000 1.978 550 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 550 A C 2.375 179.936 177.584 -0.038 0.000 1.170 550 A CA 2.500 54.511 52.037 -0.044 0.000 0.636 550 A CB -0.945 18.029 19.000 -0.044 0.000 0.810 550 A HN 0.403 nan 8.150 nan 0.000 0.448 551 T N -0.409 114.125 114.554 -0.034 0.000 2.894 551 T HA -0.047 4.302 4.350 -0.001 0.000 0.258 551 T C 1.415 176.099 174.700 -0.026 0.000 1.043 551 T CA 1.141 63.225 62.100 -0.028 0.000 1.141 551 T CB -0.313 68.540 68.868 -0.025 0.000 0.873 551 T HN 0.411 nan 8.240 nan 0.000 0.449 552 D N 1.417 121.801 120.400 -0.027 0.000 2.218 552 D HA -0.077 4.563 4.640 -0.001 0.000 0.204 552 D C 2.015 178.299 176.300 -0.027 0.000 0.976 552 D CA 0.851 54.837 54.000 -0.024 0.000 0.853 552 D CB -0.177 40.609 40.800 -0.022 0.000 0.939 552 D HN 0.438 nan 8.370 nan 0.000 0.481 553 V N -3.969 115.925 119.914 -0.034 0.000 3.647 553 V HA 0.496 4.615 4.120 -0.001 0.000 0.279 553 V C 1.455 177.524 176.094 -0.042 0.000 1.314 553 V CA 0.476 62.752 62.300 -0.040 0.000 1.125 553 V CB 0.027 31.820 31.823 -0.051 0.000 0.907 553 V HN 0.181 nan 8.190 nan 0.000 0.434 554 G N 0.992 109.771 108.800 -0.035 0.000 2.159 554 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.256 554 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.256 554 G C 0.462 175.341 174.900 -0.035 0.000 0.977 554 G CA 0.513 45.594 45.100 -0.032 0.000 0.652 554 G HN 0.536 nan 8.290 nan 0.000 0.531 555 L N 0.796 121.995 121.223 -0.041 0.000 2.599 555 L HA 0.347 4.686 4.340 -0.001 0.000 0.230 555 L C 1.951 178.805 176.870 -0.026 0.000 1.141 555 L CA 0.500 55.316 54.840 -0.040 0.000 0.877 555 L CB -0.265 41.762 42.059 -0.053 0.000 1.009 555 L HN 0.860 nan 8.230 nan 0.000 0.447 556 G N 0.658 109.444 108.800 -0.024 0.000 2.325 556 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.274 556 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.274 556 G C 1.077 175.966 174.900 -0.019 0.000 0.921 556 G CA 0.378 45.467 45.100 -0.019 0.000 1.340 556 G HN 0.642 nan 8.290 nan 0.000 0.447 557 G N -0.067 108.717 108.800 -0.026 0.000 2.228 557 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.270 557 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.270 557 G C 0.828 175.710 174.900 -0.030 0.000 0.976 557 G CA 0.963 46.045 45.100 -0.030 0.000 0.636 557 G HN 1.003 nan 8.290 nan 0.000 0.542 558 R N 0.591 121.078 120.500 -0.021 0.000 2.421 558 R HA 0.329 4.668 4.340 -0.001 0.000 0.305 558 R C 1.808 178.093 176.300 -0.026 0.000 1.039 558 R CA 0.328 56.420 56.100 -0.013 0.000 1.003 558 R CB 0.161 30.464 30.300 0.005 0.000 0.959 558 R HN 0.714 nan 8.270 nan 0.000 0.427 559 I N 0.373 120.922 120.570 -0.035 0.000 3.968 559 I HA -0.004 4.165 4.170 -0.001 0.000 0.328 559 I C 1.240 177.319 176.117 -0.062 0.000 1.290 559 I CA -0.001 61.262 61.300 -0.063 0.000 1.163 559 I CB -0.053 37.889 38.000 -0.097 0.000 1.024 559 I HN 0.396 nan 8.210 nan 0.000 0.413 560 N N 2.038 120.725 118.700 -0.021 0.000 2.060 560 N HA -0.318 4.421 4.740 -0.001 0.000 0.195 560 N C 1.747 177.271 175.510 0.024 0.000 1.028 560 N CA 2.223 55.275 53.050 0.004 0.000 0.861 560 N CB -0.527 37.984 38.487 0.040 0.000 1.029 560 N HN 0.331 nan 8.380 nan 0.000 0.428 561 M N -0.420 119.200 119.600 0.032 0.000 2.254 561 M HA 0.223 4.702 4.480 -0.001 0.000 0.265 561 M C 1.445 177.756 176.300 0.019 0.000 1.066 561 M CA 1.080 56.403 55.300 0.038 0.000 1.123 561 M CB -0.168 32.433 32.600 0.003 0.000 1.388 561 M HN 0.273 nan 8.290 nan 0.000 0.425 562 I N -0.866 119.695 120.570 -0.014 0.000 2.333 562 I HA -0.211 3.958 4.170 -0.001 0.000 0.246 562 I C 1.913 178.026 176.117 -0.007 0.000 1.106 562 I CA 0.863 62.151 61.300 -0.020 0.000 1.411 562 I CB -0.392 37.580 38.000 -0.047 0.000 1.082 562 I HN 0.213 nan 8.210 nan 0.000 0.420 563 M N -0.372 119.194 119.600 -0.058 0.000 2.229 563 M HA -0.162 4.317 4.480 -0.001 0.000 0.264 563 M C 2.326 178.724 176.300 0.164 0.000 1.063 563 M CA 1.465 56.727 55.300 -0.063 0.000 1.114 563 M CB -1.229 31.053 32.600 -0.531 0.000 1.387 563 M HN 0.226 nan 8.290 nan 0.000 0.420 564 Q N 0.215 120.115 119.800 0.167 0.000 2.124 564 Q HA -0.104 4.235 4.340 -0.001 0.000 0.202 564 Q C 1.767 178.004 176.000 0.395 0.000 0.977 564 Q CA 2.248 58.234 55.803 0.305 0.000 0.850 564 Q CB -0.294 28.598 28.738 0.258 0.000 0.901 564 Q HN 0.458 nan 8.270 nan 0.000 0.429 565 T N 0.151 114.841 114.554 0.227 0.000 2.821 565 T HA -0.070 4.279 4.350 -0.001 0.000 0.267 565 T C 1.691 176.463 174.700 0.121 0.000 1.046 565 T CA 1.093 63.291 62.100 0.163 0.000 1.139 565 T CB -0.505 68.397 68.868 0.058 0.000 0.871 565 T HN 0.478 nan 8.240 nan 0.000 0.454 566 A N 1.346 124.242 122.820 0.126 0.000 1.877 566 A HA -0.063 4.256 4.320 -0.001 0.000 0.216 566 A C 1.996 179.644 177.584 0.107 0.000 1.186 566 A CA 1.551 53.640 52.037 0.087 0.000 0.620 566 A CB -0.999 18.081 19.000 0.133 0.000 0.822 566 A HN 0.511 nan 8.150 nan 0.000 0.443 567 F N -0.264 119.742 119.950 0.093 0.000 2.069 567 F HA -0.170 4.357 4.527 -0.001 0.000 0.298 567 F C 1.885 177.467 175.800 -0.363 0.000 1.113 567 F CA 1.809 59.703 58.000 -0.177 0.000 1.214 567 F CB -0.595 38.396 39.000 -0.015 0.000 0.978 567 F HN 0.185 nan 8.300 nan 0.000 0.474 568 F N 0.924 120.558 119.950 -0.527 0.000 2.171 568 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 568 F C 2.580 178.015 175.800 -0.608 0.000 1.090 568 F CA 1.917 59.542 58.000 -0.625 0.000 1.293 568 F CB -0.679 38.160 39.000 -0.267 0.000 1.013 568 F HN -0.016 nan 8.300 nan 0.000 0.486 569 K N -0.365 119.823 120.400 -0.352 0.000 2.116 569 K HA -0.085 4.234 4.320 -0.001 0.000 0.203 569 K C 1.441 177.607 176.600 -0.724 0.000 1.052 569 K CA 1.008 56.916 56.287 -0.630 0.000 0.952 569 K CB 0.064 32.319 32.500 -0.409 0.000 0.729 569 K HN 0.148 nan 8.250 nan 0.000 0.446 570 L N -0.144 120.803 121.223 -0.461 0.000 2.609 570 L HA 0.264 4.603 4.340 -0.001 0.000 0.230 570 L C 1.948 178.692 176.870 -0.209 0.000 1.087 570 L CA 0.690 55.357 54.840 -0.288 0.000 0.874 570 L CB -0.139 41.786 42.059 -0.223 0.000 1.114 570 L HN 0.095 nan 8.230 nan 0.000 0.488 571 A N -0.095 122.377 122.820 -0.580 0.000 2.015 571 A HA 0.204 4.523 4.320 -0.001 0.000 0.219 571 A C 1.850 179.250 177.584 -0.306 0.000 1.163 571 A CA 1.197 52.840 52.037 -0.657 0.000 0.646 571 A CB -0.660 17.618 19.000 -1.203 0.000 0.806 571 A HN 0.540 nan 8.150 nan 0.000 0.448 572 G N -1.528 107.090 108.800 -0.303 0.000 2.147 572 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 572 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 572 G C 1.048 175.870 174.900 -0.131 0.000 1.005 572 G CA 1.034 46.058 45.100 -0.127 0.000 0.713 572 G HN 1.578 nan 8.290 nan 0.000 0.515 573 V N -3.136 116.611 119.914 -0.278 0.000 2.649 573 V HA 0.607 4.726 4.120 -0.001 0.000 0.248 573 V C 1.251 177.253 176.094 -0.153 0.000 1.054 573 V CA 1.329 63.493 62.300 -0.228 0.000 1.073 573 V CB -0.025 31.521 31.823 -0.463 0.000 0.699 573 V HN 0.430 nan 8.190 nan 0.000 0.463 574 L N -0.468 120.658 121.223 -0.162 0.000 2.359 574 L HA 0.612 4.951 4.340 -0.001 0.000 0.256 574 L C -2.657 174.222 176.870 0.015 0.000 1.026 574 L CA -2.029 52.780 54.840 -0.052 0.000 0.828 574 L CB 2.581 44.628 42.059 -0.019 0.000 1.406 574 L HN -0.023 nan 8.230 nan 0.000 0.413 575 P HA 0.160 nan 4.420 nan 0.000 0.271 575 P C 0.152 177.587 177.300 0.225 0.000 1.216 575 P CA -0.311 62.892 63.100 0.173 0.000 0.776 575 P CB 0.430 32.191 31.700 0.101 0.000 0.881 576 F N 1.009 120.947 119.950 -0.020 0.000 2.043 576 F HA -0.223 4.303 4.527 -0.001 0.000 0.297 576 F C 2.186 177.973 175.800 -0.022 0.000 1.118 576 F CA 1.694 59.683 58.000 -0.018 0.000 1.202 576 F CB -1.237 37.756 39.000 -0.012 0.000 0.965 576 F HN 0.475 nan 8.300 nan 0.000 0.482 577 E N -0.103 120.216 120.200 0.199 0.000 2.070 577 E HA -0.278 4.071 4.350 -0.001 0.000 0.197 577 E C 2.270 178.894 176.600 0.040 0.000 1.004 577 E CA 1.643 58.096 56.400 0.088 0.000 0.805 577 E CB -0.263 29.470 29.700 0.055 0.000 0.744 577 E HN 0.328 nan 8.360 nan 0.000 0.451 578 K N 0.411 120.836 120.400 0.040 0.000 2.057 578 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 578 K C 2.138 178.720 176.600 -0.030 0.000 1.049 578 K CA 1.110 57.402 56.287 0.008 0.000 0.931 578 K CB -0.108 32.403 32.500 0.019 0.000 0.714 578 K HN 0.087 nan 8.250 nan 0.000 0.440 579 A N 0.652 123.459 122.820 -0.023 0.000 1.851 579 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 579 A C 2.215 179.643 177.584 -0.260 0.000 1.195 579 A CA 2.014 53.993 52.037 -0.097 0.000 0.622 579 A CB -0.847 18.171 19.000 0.030 0.000 0.831 579 A HN 0.177 nan 8.150 nan 0.000 0.444 580 V N 0.963 120.789 119.914 -0.147 0.000 2.594 580 V HA -0.238 3.881 4.120 -0.001 0.000 0.253 580 V C 2.249 178.267 176.094 -0.127 0.000 1.069 580 V CA 2.399 64.611 62.300 -0.147 0.000 1.082 580 V CB -1.031 30.755 31.823 -0.062 0.000 0.680 580 V HN 0.838 nan 8.190 nan 0.000 0.469 581 D N 0.302 120.649 120.400 -0.088 0.000 2.084 581 D HA -0.176 4.463 4.640 -0.001 0.000 0.196 581 D C 1.941 178.191 176.300 -0.083 0.000 0.985 581 D CA 1.226 55.192 54.000 -0.057 0.000 0.826 581 D CB -0.188 40.593 40.800 -0.031 0.000 0.978 581 D HN 0.179 nan 8.370 nan 0.000 0.456 582 L N 0.549 121.700 121.223 -0.120 0.000 2.043 582 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 582 L C 2.540 179.290 176.870 -0.200 0.000 1.075 582 L CA 1.319 56.075 54.840 -0.140 0.000 0.752 582 L CB -1.056 40.906 42.059 -0.163 0.000 0.891 582 L HN 0.326 nan 8.230 nan 0.000 0.432 583 L N -0.229 120.793 121.223 -0.336 0.000 1.976 583 L HA -0.298 4.041 4.340 -0.001 0.000 0.209 583 L C 2.662 179.422 176.870 -0.183 0.000 1.071 583 L CA 2.119 56.738 54.840 -0.367 0.000 0.746 583 L CB -0.390 41.389 42.059 -0.468 0.000 0.890 583 L HN 0.416 nan 8.230 nan 0.000 0.432 584 K N -0.128 120.183 120.400 -0.149 0.000 2.103 584 K HA -0.215 4.104 4.320 -0.001 0.000 0.207 584 K C 1.866 178.433 176.600 -0.054 0.000 1.048 584 K CA 1.605 57.810 56.287 -0.137 0.000 0.930 584 K CB -0.339 32.100 32.500 -0.101 0.000 0.716 584 K HN 0.231 nan 8.250 nan 0.000 0.444 585 K N 0.637 121.066 120.400 0.049 0.000 2.209 585 K HA -0.008 4.311 4.320 -0.001 0.000 0.204 585 K C 1.978 178.635 176.600 0.096 0.000 1.048 585 K CA 1.459 57.831 56.287 0.141 0.000 0.940 585 K CB -0.020 32.514 32.500 0.057 0.000 0.729 585 K HN 0.209 nan 8.250 nan 0.000 0.451 586 S N 1.009 116.723 115.700 0.022 0.000 2.446 586 S HA 0.027 4.496 4.470 -0.001 0.000 0.225 586 S C 1.901 176.543 174.600 0.070 0.000 1.016 586 S CA 0.541 58.758 58.200 0.029 0.000 0.943 586 S CB -0.023 63.172 63.200 -0.009 0.000 0.786 586 S HN 0.166 nan 8.310 nan 0.000 0.508 587 I N 1.003 121.597 120.570 0.039 0.000 2.277 587 I HA -0.134 4.035 4.170 -0.001 0.000 0.243 587 I C 2.256 178.436 176.117 0.105 0.000 1.094 587 I CA 1.187 62.540 61.300 0.089 0.000 1.393 587 I CB -0.272 37.644 38.000 -0.140 0.000 1.078 587 I HN 0.283 nan 8.210 nan 0.000 0.417 588 H N 0.311 119.414 119.070 0.054 0.000 2.289 588 H HA -0.263 4.292 4.556 -0.001 0.000 0.296 588 H C 2.274 177.635 175.328 0.055 0.000 1.091 588 H CA 2.058 58.127 56.048 0.035 0.000 1.274 588 H CB -0.005 29.760 29.762 0.005 0.000 1.364 588 H HN 0.129 nan 8.280 nan 0.000 0.490 589 K N 0.357 120.865 120.400 0.180 0.000 2.057 589 K HA -0.072 4.247 4.320 -0.001 0.000 0.207 589 K C 1.456 178.098 176.600 0.070 0.000 1.049 589 K CA 0.873 57.219 56.287 0.097 0.000 0.931 589 K CB 0.072 32.609 32.500 0.063 0.000 0.714 589 K HN 0.256 nan 8.250 nan 0.000 0.440 590 A N -0.246 122.619 122.820 0.075 0.000 3.293 590 A HA 0.336 4.655 4.320 -0.001 0.000 0.163 590 A C -0.698 176.888 177.584 0.004 0.000 2.052 590 A CA 0.083 52.111 52.037 -0.015 0.000 1.062 590 A CB -0.247 18.687 19.000 -0.111 0.000 1.908 590 A HN 0.328 nan 8.150 nan 0.000 0.790 591 Y N -2.959 117.333 120.300 -0.013 0.000 2.601 591 Y HA -0.096 4.453 4.550 -0.001 0.000 0.022 591 Y C 1.370 177.260 175.900 -0.017 0.000 1.818 591 Y CA 0.494 58.584 58.100 -0.017 0.000 1.355 591 Y CB -1.118 37.329 38.460 -0.021 0.000 2.008 591 Y HN 1.147 nan 8.280 nan 0.000 0.266 592 G N 2.655 111.366 108.800 -0.147 0.000 2.838 592 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.215 592 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.215 592 G C 1.372 176.282 174.900 0.016 0.000 1.327 592 G CA 1.850 46.926 45.100 -0.041 0.000 0.802 592 G HN 0.575 nan 8.290 nan 0.000 0.658 593 K N -1.111 119.327 120.400 0.064 0.000 2.099 593 K HA 0.288 4.607 4.320 -0.001 0.000 0.203 593 K C 0.869 177.497 176.600 0.046 0.000 1.047 593 K CA 0.572 56.883 56.287 0.040 0.000 0.963 593 K CB 0.063 32.583 32.500 0.035 0.000 0.759 593 K HN 0.428 nan 8.250 nan 0.000 0.451 594 K N -4.407 116.040 120.400 0.078 0.000 8.247 594 K HA -0.084 4.236 4.320 -0.001 0.000 1.057 594 K C -0.040 176.584 176.600 0.040 0.000 2.042 594 K CA 0.301 56.630 56.287 0.070 0.000 1.093 594 K CB -1.319 31.211 32.500 0.050 0.000 2.064 594 K HN 0.417 nan 8.250 nan 0.000 0.348 595 G N 0.398 109.218 108.800 0.033 0.000 2.370 595 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.174 595 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.174 595 G C 0.199 175.108 174.900 0.015 0.000 1.002 595 G CA 0.953 46.065 45.100 0.019 0.000 0.730 595 G HN 1.066 nan 8.290 nan 0.000 0.497 596 E N -0.604 119.610 120.200 0.024 0.000 4.067 596 E HA -0.276 4.073 4.350 -0.001 0.000 0.346 596 E C 1.268 177.871 176.600 0.005 0.000 0.613 596 E CA 2.927 59.343 56.400 0.026 0.000 1.252 596 E CB -1.412 28.302 29.700 0.023 0.000 1.731 596 E HN 0.726 nan 8.360 nan 0.000 0.406 597 K N 0.211 120.607 120.400 -0.007 0.000 2.121 597 K HA 0.200 4.519 4.320 -0.001 0.000 0.203 597 K C 2.198 178.772 176.600 -0.044 0.000 1.041 597 K CA 0.833 57.108 56.287 -0.021 0.000 0.969 597 K CB -0.155 32.336 32.500 -0.016 0.000 0.799 597 K HN 0.281 nan 8.250 nan 0.000 0.456 598 I N 1.423 121.967 120.570 -0.043 0.000 2.286 598 I HA -0.229 3.940 4.170 -0.001 0.000 0.248 598 I C 2.194 178.220 176.117 -0.152 0.000 1.115 598 I CA 0.706 61.957 61.300 -0.081 0.000 1.392 598 I CB -0.257 37.718 38.000 -0.042 0.000 1.065 598 I HN -0.043 nan 8.210 nan 0.000 0.418 599 V N 1.015 120.865 119.914 -0.108 0.000 2.324 599 V HA -0.301 3.818 4.120 -0.001 0.000 0.250 599 V C 2.634 178.622 176.094 -0.176 0.000 1.060 599 V CA 1.771 63.981 62.300 -0.150 0.000 1.042 599 V CB -0.726 31.087 31.823 -0.017 0.000 0.650 599 V HN 0.376 nan 8.190 nan 0.000 0.450 600 K N -0.446 119.892 120.400 -0.103 0.000 2.148 600 K HA -0.047 4.272 4.320 -0.001 0.000 0.204 600 K C 2.088 178.622 176.600 -0.111 0.000 1.050 600 K CA 1.500 57.734 56.287 -0.088 0.000 0.942 600 K CB -0.313 32.160 32.500 -0.046 0.000 0.724 600 K HN 0.466 nan 8.250 nan 0.000 0.446 601 M N 0.018 119.544 119.600 -0.123 0.000 2.229 601 M HA -0.162 4.318 4.480 -0.001 0.000 0.264 601 M C 1.435 177.638 176.300 -0.162 0.000 1.063 601 M CA 1.460 56.688 55.300 -0.121 0.000 1.114 601 M CB -0.469 32.064 32.600 -0.113 0.000 1.387 601 M HN 0.081 nan 8.290 nan 0.000 0.420 602 N N -0.016 118.537 118.700 -0.245 0.000 2.216 602 N HA -0.078 4.661 4.740 -0.001 0.000 0.183 602 N C 1.501 176.877 175.510 -0.222 0.000 1.017 602 N CA 1.548 54.417 53.050 -0.302 0.000 0.861 602 N CB -0.192 37.966 38.487 -0.548 0.000 0.986 602 N HN 0.231 nan 8.380 nan 0.000 0.428 603 T N 0.219 114.646 114.554 -0.210 0.000 2.995 603 T HA -0.031 4.318 4.350 -0.001 0.000 0.269 603 T C 0.758 175.393 174.700 -0.109 0.000 1.091 603 T CA 0.810 62.809 62.100 -0.169 0.000 1.128 603 T CB -0.081 68.688 68.868 -0.164 0.000 0.891 603 T HN 0.180 nan 8.240 nan 0.000 0.492 604 D N 1.490 121.829 120.400 -0.101 0.000 2.120 604 D HA 0.101 4.740 4.640 -0.001 0.000 0.202 604 D C 2.454 178.714 176.300 -0.067 0.000 0.972 604 D CA 1.105 55.062 54.000 -0.072 0.000 0.837 604 D CB -0.483 40.278 40.800 -0.065 0.000 0.989 604 D HN 0.355 nan 8.370 nan 0.000 0.469 605 A N 0.858 123.630 122.820 -0.081 0.000 1.883 605 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 605 A C 2.536 180.086 177.584 -0.055 0.000 1.186 605 A CA 1.531 53.528 52.037 -0.067 0.000 0.624 605 A CB -0.892 18.061 19.000 -0.079 0.000 0.822 605 A HN 0.140 nan 8.150 nan 0.000 0.444 606 V N 0.739 120.612 119.914 -0.067 0.000 2.255 606 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 606 V C 2.125 178.196 176.094 -0.038 0.000 1.051 606 V CA 2.394 64.662 62.300 -0.053 0.000 1.018 606 V CB -0.772 31.006 31.823 -0.075 0.000 0.641 606 V HN 0.568 nan 8.190 nan 0.000 0.445 607 D N -0.995 119.381 120.400 -0.040 0.000 2.224 607 D HA -0.169 4.470 4.640 -0.001 0.000 0.205 607 D C 2.159 178.449 176.300 -0.016 0.000 0.965 607 D CA 1.060 55.046 54.000 -0.023 0.000 0.852 607 D CB 0.070 40.855 40.800 -0.024 0.000 0.947 607 D HN 0.542 nan 8.370 nan 0.000 0.494 608 Q N 0.544 120.330 119.800 -0.023 0.000 2.172 608 Q HA -0.058 4.281 4.340 -0.001 0.000 0.200 608 Q C 2.008 178.001 176.000 -0.011 0.000 0.964 608 Q CA 0.997 56.789 55.803 -0.017 0.000 0.855 608 Q CB 0.147 28.870 28.738 -0.025 0.000 0.918 608 Q HN 0.150 nan 8.270 nan 0.000 0.444 609 A N -0.306 122.506 122.820 -0.014 0.000 1.872 609 A HA -0.092 4.227 4.320 -0.001 0.000 0.214 609 A C 2.151 179.737 177.584 0.003 0.000 1.187 609 A CA 1.232 53.264 52.037 -0.009 0.000 0.614 609 A CB -0.697 18.296 19.000 -0.012 0.000 0.826 609 A HN 0.272 nan 8.150 nan 0.000 0.442 610 V N 0.476 120.392 119.914 0.004 0.000 2.392 610 V HA -0.242 3.877 4.120 -0.001 0.000 0.249 610 V C 2.687 178.807 176.094 0.043 0.000 1.059 610 V CA 2.461 64.773 62.300 0.020 0.000 1.051 610 V CB -1.248 30.590 31.823 0.025 0.000 0.658 610 V HN 0.663 nan 8.190 nan 0.000 0.455 611 T N -0.987 113.586 114.554 0.031 0.000 2.904 611 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 611 T C 1.864 176.586 174.700 0.037 0.000 1.059 611 T CA 1.489 63.610 62.100 0.035 0.000 1.137 611 T CB -0.141 68.739 68.868 0.019 0.000 0.879 611 T HN 0.492 nan 8.240 nan 0.000 0.467 612 S N 0.772 116.490 115.700 0.031 0.000 2.558 612 S HA 0.230 4.699 4.470 -0.001 0.000 0.217 612 S C 0.479 175.116 174.600 0.062 0.000 0.975 612 S CA -0.128 58.092 58.200 0.033 0.000 0.912 612 S CB -0.057 63.151 63.200 0.015 0.000 0.776 612 S HN 0.148 nan 8.310 nan 0.000 0.526 613 L N 3.782 125.050 121.223 0.076 0.000 2.384 613 L HA 0.365 4.704 4.340 -0.001 0.000 0.258 613 L C -0.183 176.840 176.870 0.255 0.000 1.266 613 L CA 0.523 55.437 54.840 0.124 0.000 1.162 613 L CB -1.020 41.056 42.059 0.028 0.000 1.375 613 L HN 0.170 nan 8.230 nan 0.000 0.420 614 Q N 1.092 121.049 119.800 0.262 0.000 2.413 614 Q HA 0.379 4.718 4.340 -0.001 0.000 0.276 614 Q C -0.264 175.755 176.000 0.032 0.000 1.099 614 Q CA -0.734 55.188 55.803 0.199 0.000 0.814 614 Q CB 1.908 30.688 28.738 0.069 0.000 1.379 614 Q HN 0.366 nan 8.270 nan 0.000 0.436 615 E N 0.856 120.897 120.200 -0.264 0.000 2.442 615 E HA -0.010 4.339 4.350 -0.001 0.000 0.262 615 E C -0.805 175.656 176.600 -0.232 0.000 1.004 615 E CA 0.263 56.341 56.400 -0.536 0.000 0.928 615 E CB 0.433 29.857 29.700 -0.460 0.000 0.937 615 E HN 0.290 nan 8.360 nan 0.000 0.446 616 F N 3.125 122.878 119.950 -0.330 0.000 2.368 616 F HA 0.195 4.721 4.527 -0.001 0.000 0.362 616 F C -0.128 175.624 175.800 -0.080 0.000 1.137 616 F CA -0.805 57.081 58.000 -0.191 0.000 1.161 616 F CB 0.345 39.138 39.000 -0.345 0.000 1.265 616 F HN 0.133 nan 8.300 nan 0.000 0.530 617 K N 7.460 127.686 120.400 -0.289 0.000 2.155 617 K HA 0.084 4.403 4.320 -0.001 0.000 0.240 617 K C -0.916 175.396 176.600 -0.480 0.000 1.193 617 K CA -0.233 55.818 56.287 -0.394 0.000 1.104 617 K CB -0.767 31.522 32.500 -0.352 0.000 1.558 617 K HN 0.526 nan 8.250 nan 0.000 0.313 618 Y N 0.656 120.840 120.300 -0.193 0.000 2.578 618 Y HA 0.221 4.770 4.550 -0.001 0.000 0.339 618 Y C -1.795 173.789 175.900 -0.527 0.000 1.231 618 Y CA -2.744 54.996 58.100 -0.599 0.000 1.461 618 Y CB -0.626 37.141 38.460 -1.155 0.000 1.323 618 Y HN 0.339 nan 8.280 nan 0.000 0.590 619 P HA 0.063 nan 4.420 nan 0.000 0.276 619 P C -0.333 176.945 177.300 -0.036 0.000 1.252 619 P CA -0.144 62.817 63.100 -0.231 0.000 0.802 619 P CB 1.253 32.874 31.700 -0.133 0.000 1.035 620 D N 0.216 120.630 120.400 0.023 0.000 2.219 620 D HA -0.153 4.486 4.640 -0.001 0.000 0.205 620 D C 1.697 178.093 176.300 0.161 0.000 0.970 620 D CA 1.554 55.615 54.000 0.103 0.000 0.851 620 D CB -0.144 40.685 40.800 0.049 0.000 0.943 620 D HN 0.324 nan 8.370 nan 0.000 0.488 621 S N -0.878 114.915 115.700 0.155 0.000 2.469 621 S HA -0.161 4.309 4.470 -0.001 0.000 0.238 621 S C 1.591 176.378 174.600 0.311 0.000 0.998 621 S CA 0.244 58.559 58.200 0.192 0.000 0.957 621 S CB -0.756 62.545 63.200 0.170 0.000 0.764 621 S HN 0.377 nan 8.310 nan 0.000 0.514 622 W N 2.471 123.828 121.300 0.095 0.000 2.421 622 W HA 0.187 4.846 4.660 -0.001 0.000 0.270 622 W C 2.111 178.639 176.519 0.014 0.000 1.233 622 W CA -0.200 57.178 57.345 0.055 0.000 1.226 622 W CB -0.519 28.983 29.460 0.069 0.000 1.121 622 W HN 0.361 nan 8.180 nan 0.000 0.579 623 K N -0.211 120.333 120.400 0.239 0.000 2.147 623 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 623 K C 0.411 177.055 176.600 0.074 0.000 1.049 623 K CA 1.557 57.921 56.287 0.128 0.000 0.936 623 K CB -0.238 32.329 32.500 0.113 0.000 0.722 623 K HN 0.162 nan 8.250 nan 0.000 0.446 624 D N -0.211 120.239 120.400 0.083 0.000 2.891 624 D HA 0.148 4.787 4.640 -0.001 0.000 0.312 624 D C -0.591 175.728 176.300 0.032 0.000 1.354 624 D CA -0.197 53.830 54.000 0.044 0.000 0.838 624 D CB 0.555 41.382 40.800 0.045 0.000 1.117 624 D HN 0.020 nan 8.370 nan 0.000 0.473 625 A N 2.456 125.284 122.820 0.012 0.000 2.445 625 A HA 0.483 4.802 4.320 -0.001 0.000 0.242 625 A C -2.282 175.267 177.584 -0.057 0.000 1.075 625 A CA -0.651 51.363 52.037 -0.038 0.000 0.777 625 A CB 0.267 19.177 19.000 -0.150 0.000 1.013 625 A HN 0.107 nan 8.150 nan 0.000 0.493 626 P HA 0.533 nan 4.420 nan 0.000 0.301 626 P C -0.575 176.680 177.300 -0.075 0.000 1.361 626 P CA -0.451 62.615 63.100 -0.057 0.000 0.994 626 P CB 1.768 33.447 31.700 -0.036 0.000 1.234 627 A N 1.883 124.662 122.820 -0.069 0.000 2.555 627 A HA 0.068 4.387 4.320 -0.001 0.000 0.233 627 A C 0.558 178.101 177.584 -0.069 0.000 1.060 627 A CA 0.030 52.023 52.037 -0.073 0.000 0.759 627 A CB -0.353 18.609 19.000 -0.062 0.000 0.995 627 A HN 0.665 nan 8.150 nan 0.000 0.506 628 E N 1.342 121.496 120.200 -0.077 0.000 2.343 628 E HA 0.252 4.601 4.350 -0.001 0.000 0.269 628 E C -0.662 175.903 176.600 -0.059 0.000 1.047 628 E CA -0.279 56.077 56.400 -0.073 0.000 0.874 628 E CB 0.618 30.266 29.700 -0.087 0.000 1.033 628 E HN 0.593 nan 8.360 nan 0.000 0.409 629 T N 4.254 118.776 114.554 -0.053 0.000 2.856 629 T HA 0.166 4.515 4.350 -0.001 0.000 0.292 629 T C -0.089 174.586 174.700 -0.042 0.000 0.980 629 T CA -0.498 61.576 62.100 -0.043 0.000 1.091 629 T CB 0.689 69.534 68.868 -0.037 0.000 0.936 629 T HN 0.332 nan 8.240 nan 0.000 0.503 630 K N 1.910 122.288 120.400 -0.036 0.000 2.484 630 K HA 0.331 4.650 4.320 -0.001 0.000 0.280 630 K C 0.139 176.722 176.600 -0.028 0.000 1.013 630 K CA -0.096 56.172 56.287 -0.032 0.000 1.029 630 K CB 0.371 32.854 32.500 -0.028 0.000 0.902 630 K HN 0.688 nan 8.250 nan 0.000 0.481 631 A N 4.043 126.846 122.820 -0.027 0.000 3.365 631 A HA 0.152 4.471 4.320 -0.001 0.000 0.258 631 A C -0.822 176.753 177.584 -0.016 0.000 0.964 631 A CA -0.730 51.294 52.037 -0.022 0.000 0.988 631 A CB -0.015 18.969 19.000 -0.027 0.000 1.193 631 A HN 0.788 nan 8.150 nan 0.000 0.508 632 E N 0.845 121.038 120.200 -0.012 0.000 2.277 632 E HA 0.770 5.119 4.350 -0.001 0.000 0.266 632 E C -2.565 174.035 176.600 -0.001 0.000 0.901 632 E CA -1.879 54.519 56.400 -0.003 0.000 0.782 632 E CB 1.167 30.868 29.700 0.000 0.000 1.228 632 E HN 0.228 nan 8.360 nan 0.000 0.424 633 P HA 0.081 nan 4.420 nan 0.000 0.274 633 P C -0.445 176.854 177.300 -0.003 0.000 1.237 633 P CA -0.652 62.455 63.100 0.011 0.000 0.793 633 P CB 0.505 32.221 31.700 0.027 0.000 0.977 634 M N 0.890 120.491 119.600 0.001 0.000 2.240 634 M HA 0.155 4.634 4.480 -0.001 0.000 0.317 634 M C 0.368 176.614 176.300 -0.090 0.000 1.087 634 M CA 0.917 56.202 55.300 -0.025 0.000 1.176 634 M CB 0.070 32.671 32.600 0.002 0.000 1.439 634 M HN 0.617 nan 8.290 nan 0.000 0.452 635 T N 1.763 116.186 114.554 -0.218 0.000 2.598 635 T HA 0.411 4.760 4.350 -0.001 0.000 0.289 635 T C -0.811 173.570 174.700 -0.531 0.000 1.056 635 T CA -0.658 61.048 62.100 -0.657 0.000 1.088 635 T CB 1.016 69.579 68.868 -0.509 0.000 1.519 635 T HN 0.648 nan 8.240 nan 0.000 0.488 636 N N 1.477 119.791 118.700 -0.643 0.000 2.508 636 N HA 0.302 5.042 4.740 -0.001 0.000 0.285 636 N C 0.829 176.325 175.510 -0.023 0.000 1.144 636 N CA -0.156 52.794 53.050 -0.167 0.000 0.978 636 N CB 1.478 39.992 38.487 0.045 0.000 1.180 636 N HN 0.694 nan 8.380 nan 0.000 0.484 637 E N 1.207 121.429 120.200 0.037 0.000 2.051 637 E HA -0.206 4.143 4.350 -0.001 0.000 0.192 637 E C 1.280 177.921 176.600 0.070 0.000 0.991 637 E CA 1.072 57.493 56.400 0.034 0.000 0.799 637 E CB -0.067 29.656 29.700 0.039 0.000 0.748 637 E HN 0.591 nan 8.360 nan 0.000 0.449 638 F N 0.188 120.132 119.950 -0.011 0.000 2.161 638 F HA -0.202 4.325 4.527 -0.001 0.000 0.300 638 F C 1.912 177.718 175.800 0.010 0.000 1.089 638 F CA 1.391 59.387 58.000 -0.007 0.000 1.282 638 F CB -0.256 38.760 39.000 0.026 0.000 1.010 638 F HN 0.097 nan 8.300 nan 0.000 0.485 639 F N 0.955 120.939 119.950 0.057 0.000 2.113 639 F HA -0.118 4.409 4.527 -0.001 0.000 0.297 639 F C 2.398 178.125 175.800 -0.123 0.000 1.103 639 F CA 1.927 59.913 58.000 -0.023 0.000 1.248 639 F CB -0.558 38.351 39.000 -0.152 0.000 0.999 639 F HN -0.158 nan 8.300 nan 0.000 0.475 640 K N 0.301 120.662 120.400 -0.065 0.000 2.057 640 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 640 K C 1.806 178.286 176.600 -0.200 0.000 1.049 640 K CA 1.853 58.075 56.287 -0.108 0.000 0.931 640 K CB -0.168 32.301 32.500 -0.051 0.000 0.714 640 K HN 0.188 nan 8.250 nan 0.000 0.440 641 N N -0.940 117.624 118.700 -0.226 0.000 2.336 641 N HA -0.032 4.707 4.740 -0.001 0.000 0.177 641 N C 1.423 176.716 175.510 -0.362 0.000 1.018 641 N CA 1.137 54.035 53.050 -0.254 0.000 0.878 641 N CB 0.377 38.743 38.487 -0.202 0.000 0.997 641 N HN 0.017 nan 8.380 nan 0.000 0.433 642 V N -0.220 119.354 119.914 -0.566 0.000 2.950 642 V HA 0.076 4.195 4.120 -0.001 0.000 0.231 642 V C 2.120 177.934 176.094 -0.467 0.000 1.205 642 V CA 0.461 62.386 62.300 -0.625 0.000 1.239 642 V CB -0.442 30.709 31.823 -1.120 0.000 1.050 642 V HN 0.045 nan 8.190 nan 0.000 0.498 643 V N 0.887 120.468 119.914 -0.555 0.000 2.407 643 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 643 V C 2.424 178.227 176.094 -0.485 0.000 1.055 643 V CA 2.996 65.084 62.300 -0.353 0.000 1.049 643 V CB -0.360 31.420 31.823 -0.072 0.000 0.662 643 V HN 0.594 nan 8.190 nan 0.000 0.455 644 K N 1.079 121.010 120.400 -0.781 0.000 2.002 644 K HA -0.024 4.295 4.320 -0.001 0.000 0.209 644 K C 0.025 176.478 176.600 -0.244 0.000 1.048 644 K CA 2.174 58.110 56.287 -0.585 0.000 0.930 644 K CB -1.535 30.637 32.500 -0.546 0.000 0.714 644 K HN 0.448 nan 8.250 nan 0.000 0.438 645 P HA -0.144 nan 4.420 nan 0.000 0.216 645 P C 0.981 178.259 177.300 -0.036 0.000 1.150 645 P CA 1.382 64.422 63.100 -0.099 0.000 0.843 645 P CB 0.015 31.649 31.700 -0.110 0.000 0.787 646 I N -1.648 118.898 120.570 -0.039 0.000 2.252 646 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 646 I C 2.224 178.373 176.117 0.053 0.000 1.102 646 I CA 1.217 62.534 61.300 0.029 0.000 1.385 646 I CB -0.575 37.461 38.000 0.060 0.000 1.064 646 I HN -0.112 nan 8.210 nan 0.000 0.414 647 L N 0.216 121.460 121.223 0.036 0.000 2.083 647 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 647 L C 2.407 179.395 176.870 0.198 0.000 1.083 647 L CA 1.771 56.675 54.840 0.107 0.000 0.752 647 L CB -0.888 41.226 42.059 0.092 0.000 0.899 647 L HN 0.412 nan 8.230 nan 0.000 0.433 648 T N -3.341 111.297 114.554 0.141 0.000 3.272 648 T HA 0.008 4.357 4.350 -0.001 0.000 0.250 648 T C 0.661 175.545 174.700 0.306 0.000 1.082 648 T CA -0.251 61.989 62.100 0.234 0.000 0.968 648 T CB 0.064 68.968 68.868 0.060 0.000 1.015 648 T HN 0.367 nan 8.240 nan 0.000 0.563 649 Q N -0.103 119.821 119.800 0.205 0.000 2.502 649 Q HA -0.142 4.197 4.340 -0.001 0.000 0.273 649 Q C -0.018 176.039 176.000 0.096 0.000 1.127 649 Q CA 0.723 56.601 55.803 0.125 0.000 0.952 649 Q CB -2.227 26.588 28.738 0.129 0.000 1.333 649 Q HN 0.631 nan 8.270 nan 0.000 0.494 650 Q N -1.385 118.459 119.800 0.075 0.000 2.157 650 Q HA 0.255 4.594 4.340 -0.001 0.000 0.229 650 Q C 1.614 177.640 176.000 0.042 0.000 0.827 650 Q CA 0.667 56.500 55.803 0.051 0.000 1.055 650 Q CB 0.766 29.524 28.738 0.034 0.000 1.157 650 Q HN 0.464 nan 8.270 nan 0.000 0.482 651 G N 1.265 110.095 108.800 0.051 0.000 2.475 651 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.220 651 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.220 651 G C 0.733 175.689 174.900 0.093 0.000 1.125 651 G CA 0.909 46.056 45.100 0.079 0.000 0.755 651 G HN 0.334 nan 8.290 nan 0.000 0.565 652 D N -0.057 120.377 120.400 0.057 0.000 2.348 652 D HA 0.045 4.684 4.640 -0.001 0.000 0.216 652 D C 2.270 178.607 176.300 0.062 0.000 0.970 652 D CA 0.537 54.571 54.000 0.055 0.000 0.889 652 D CB 0.132 40.952 40.800 0.033 0.000 0.912 652 D HN 0.305 nan 8.370 nan 0.000 0.524 653 K N -0.086 120.346 120.400 0.052 0.000 2.365 653 K HA 0.034 4.353 4.320 -0.001 0.000 0.197 653 K C -0.016 176.607 176.600 0.038 0.000 1.042 653 K CA -0.056 56.252 56.287 0.035 0.000 0.987 653 K CB 0.322 32.831 32.500 0.015 0.000 0.779 653 K HN 0.081 nan 8.250 nan 0.000 0.484 654 L N 3.523 124.787 121.223 0.070 0.000 2.477 654 L HA 0.071 4.411 4.340 -0.001 0.000 0.272 654 L C -1.720 175.235 176.870 0.142 0.000 1.157 654 L CA -1.912 52.966 54.840 0.063 0.000 0.889 654 L CB -0.082 42.061 42.059 0.141 0.000 1.158 654 L HN 0.035 nan 8.230 nan 0.000 0.473 655 P HA 0.071 nan 4.420 nan 0.000 0.279 655 P C 0.982 178.379 177.300 0.162 0.000 1.282 655 P CA -0.348 62.802 63.100 0.082 0.000 0.788 655 P CB 0.922 32.632 31.700 0.015 0.000 1.139 656 V N -1.334 118.668 119.914 0.147 0.000 2.809 656 V HA -0.120 3.999 4.120 -0.001 0.000 0.256 656 V C 2.068 178.256 176.094 0.156 0.000 1.080 656 V CA 2.203 64.635 62.300 0.220 0.000 1.102 656 V CB -1.745 30.155 31.823 0.129 0.000 0.705 656 V HN 0.647 nan 8.190 nan 0.000 0.475 657 S N 0.889 116.609 115.700 0.033 0.000 2.507 657 S HA 0.162 4.631 4.470 -0.001 0.000 0.235 657 S C 1.932 176.455 174.600 -0.128 0.000 0.988 657 S CA 0.975 59.159 58.200 -0.026 0.000 0.944 657 S CB -0.400 62.778 63.200 -0.036 0.000 0.762 657 S HN 1.081 nan 8.310 nan 0.000 0.526 658 A N 0.342 122.976 122.820 -0.310 0.000 2.119 658 A HA 0.410 4.729 4.320 -0.001 0.000 0.216 658 A C 0.340 177.441 177.584 -0.805 0.000 1.152 658 A CA 0.136 51.794 52.037 -0.632 0.000 0.708 658 A CB -0.381 18.075 19.000 -0.906 0.000 0.805 658 A HN 0.507 nan 8.150 nan 0.000 0.460 659 F N -0.028 119.916 119.950 -0.010 0.000 2.507 659 F HA 0.447 4.973 4.527 -0.001 0.000 0.327 659 F C 0.482 176.276 175.800 -0.010 0.000 1.068 659 F CA -1.257 56.738 58.000 -0.008 0.000 0.965 659 F CB 0.802 39.818 39.000 0.026 0.000 1.192 659 F HN -0.059 nan 8.300 nan 0.000 0.476 660 E N 0.607 120.905 120.200 0.165 0.000 2.373 660 E HA 0.211 4.560 4.350 -0.001 0.000 0.267 660 E C 0.645 177.316 176.600 0.118 0.000 1.032 660 E CA 0.086 56.545 56.400 0.098 0.000 0.889 660 E CB 1.521 31.260 29.700 0.066 0.000 0.984 660 E HN 0.787 nan 8.360 nan 0.000 0.425 661 A N 3.364 126.230 122.820 0.077 0.000 1.969 661 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 661 A C 1.374 179.003 177.584 0.074 0.000 1.169 661 A CA 1.761 53.831 52.037 0.056 0.000 0.635 661 A CB -0.205 18.818 19.000 0.038 0.000 0.810 661 A HN 0.603 nan 8.150 nan 0.000 0.445 662 D N -2.172 118.287 120.400 0.099 0.000 2.349 662 D HA 0.255 4.894 4.640 -0.001 0.000 0.224 662 D C 1.165 177.583 176.300 0.196 0.000 1.029 662 D CA 0.920 54.995 54.000 0.126 0.000 0.879 662 D CB -0.583 40.280 40.800 0.104 0.000 0.906 662 D HN 0.796 nan 8.370 nan 0.000 0.528 663 G N 1.122 110.061 108.800 0.230 0.000 2.141 663 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.242 663 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.242 663 G C 0.297 175.415 174.900 0.364 0.000 0.982 663 G CA 0.100 45.414 45.100 0.357 0.000 0.662 663 G HN 0.770 nan 8.290 nan 0.000 0.527 664 R N -1.171 119.482 120.500 0.255 0.000 2.679 664 R HA 0.685 5.024 4.340 -0.001 0.000 0.269 664 R C -0.761 175.695 176.300 0.260 0.000 1.076 664 R CA -0.177 56.075 56.100 0.253 0.000 1.160 664 R CB 0.513 30.898 30.300 0.142 0.000 1.054 664 R HN 0.101 nan 8.270 nan 0.000 0.507 665 F N 0.789 120.796 119.950 0.094 0.000 2.576 665 F HA 0.477 5.003 4.527 -0.001 0.000 0.313 665 F C -1.892 173.878 175.800 -0.051 0.000 1.078 665 F CA -2.391 55.638 58.000 0.049 0.000 0.921 665 F CB 2.078 41.163 39.000 0.142 0.000 1.232 665 F HN 0.587 nan 8.300 nan 0.000 0.459 666 P HA 0.327 nan 4.420 nan 0.000 0.282 666 P C -0.906 176.430 177.300 0.060 0.000 1.249 666 P CA -0.406 62.636 63.100 -0.097 0.000 0.806 666 P CB 1.259 32.761 31.700 -0.330 0.000 0.984 667 L N 1.246 122.508 121.223 0.064 0.000 2.473 667 L HA 0.330 4.669 4.340 -0.001 0.000 0.268 667 L C 1.759 178.697 176.870 0.114 0.000 1.215 667 L CA 1.787 56.687 54.840 0.099 0.000 0.823 667 L CB -0.584 41.525 42.059 0.083 0.000 1.099 667 L HN 0.875 nan 8.230 nan 0.000 0.483 668 G N -0.024 108.846 108.800 0.117 0.000 2.143 668 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.248 668 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.248 668 G C 0.885 175.885 174.900 0.167 0.000 0.991 668 G CA 0.798 45.958 45.100 0.099 0.000 0.689 668 G HN 0.848 nan 8.290 nan 0.000 0.522 669 T N -1.444 113.280 114.554 0.285 0.000 2.915 669 T HA -0.036 4.313 4.350 -0.001 0.000 0.269 669 T C 2.653 177.588 174.700 0.392 0.000 1.071 669 T CA 2.029 64.414 62.100 0.476 0.000 1.132 669 T CB -0.457 68.762 68.868 0.586 0.000 0.878 669 T HN 1.429 nan 8.240 nan 0.000 0.479 670 S N 1.399 117.249 115.700 0.250 0.000 2.469 670 S HA -0.141 4.328 4.470 -0.001 0.000 0.238 670 S C 2.022 176.703 174.600 0.134 0.000 0.998 670 S CA 0.378 58.718 58.200 0.233 0.000 0.957 670 S CB -0.629 62.715 63.200 0.239 0.000 0.764 670 S HN 0.437 nan 8.310 nan 0.000 0.514 671 Q N 0.141 119.897 119.800 -0.075 0.000 2.368 671 Q HA -0.016 4.323 4.340 -0.001 0.000 0.210 671 Q C 0.667 176.191 176.000 -0.793 0.000 0.982 671 Q CA 1.098 56.673 55.803 -0.380 0.000 0.884 671 Q CB -0.422 27.901 28.738 -0.691 0.000 0.933 671 Q HN 0.831 nan 8.270 nan 0.000 0.460 672 F N -0.633 119.157 119.950 -0.267 0.000 2.682 672 F HA 0.209 4.735 4.527 -0.001 0.000 0.308 672 F C 1.803 177.332 175.800 -0.453 0.000 1.093 672 F CA -0.393 57.262 58.000 -0.574 0.000 1.244 672 F CB 0.244 38.450 39.000 -1.324 0.000 1.052 672 F HN -0.018 nan 8.300 nan 0.000 0.573 673 E N 0.815 120.990 120.200 -0.041 0.000 2.031 673 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 673 E C 0.345 176.961 176.600 0.027 0.000 0.994 673 E CA 0.805 57.283 56.400 0.129 0.000 0.800 673 E CB -0.118 29.699 29.700 0.194 0.000 0.752 673 E HN -0.027 nan 8.360 nan 0.000 0.447 674 K N 0.688 121.027 120.400 -0.101 0.000 3.777 674 K HA -0.251 4.068 4.320 -0.001 0.000 0.276 674 K C 0.554 177.131 176.600 -0.038 0.000 0.877 674 K CA 0.614 56.820 56.287 -0.134 0.000 0.724 674 K CB -1.195 31.229 32.500 -0.127 0.000 1.589 674 K HN 0.317 nan 8.250 nan 0.000 0.444 675 R N 0.097 120.592 120.500 -0.008 0.000 2.092 675 R HA -0.068 4.271 4.340 -0.001 0.000 0.231 675 R C 1.414 177.733 176.300 0.031 0.000 1.119 675 R CA 0.929 57.055 56.100 0.043 0.000 0.970 675 R CB 0.051 30.396 30.300 0.075 0.000 0.864 675 R HN 0.635 nan 8.270 nan 0.000 0.440 676 G N 0.946 109.743 108.800 -0.006 0.000 2.314 676 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.292 676 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.292 676 G C 0.538 175.451 174.900 0.020 0.000 1.059 676 G CA 0.352 45.451 45.100 -0.002 0.000 0.982 676 G HN 0.346 nan 8.290 nan 0.000 0.505 677 V N -3.264 116.660 119.914 0.018 0.000 3.649 677 V HA 0.712 4.831 4.120 -0.001 0.000 0.275 677 V C 1.466 177.567 176.094 0.011 0.000 1.281 677 V CA 0.685 63.005 62.300 0.033 0.000 1.143 677 V CB -0.149 31.707 31.823 0.055 0.000 0.892 677 V HN 1.641 nan 8.190 nan 0.000 0.441 678 A N 0.662 123.476 122.820 -0.009 0.000 2.425 678 A HA 0.581 4.900 4.320 -0.001 0.000 0.249 678 A C 1.130 178.715 177.584 0.002 0.000 1.084 678 A CA -0.283 51.746 52.037 -0.014 0.000 0.781 678 A CB 0.282 19.266 19.000 -0.026 0.000 1.019 678 A HN 0.194 nan 8.150 nan 0.000 0.490 679 I N 0.833 121.405 120.570 0.003 0.000 2.277 679 I HA -0.012 4.157 4.170 -0.001 0.000 0.243 679 I C 0.330 176.452 176.117 0.009 0.000 1.094 679 I CA 0.939 62.243 61.300 0.008 0.000 1.393 679 I CB -1.191 36.813 38.000 0.006 0.000 1.078 679 I HN 0.520 nan 8.210 nan 0.000 0.417 680 N N 0.949 119.652 118.700 0.006 0.000 2.314 680 N HA 0.449 5.188 4.740 -0.001 0.000 0.294 680 N C -0.676 174.839 175.510 0.008 0.000 1.029 680 N CA -0.243 52.812 53.050 0.009 0.000 0.845 680 N CB 3.158 41.652 38.487 0.011 0.000 1.321 680 N HN -0.072 nan 8.380 nan 0.000 0.481 681 V N -0.333 119.588 119.914 0.013 0.000 2.769 681 V HA 0.769 4.888 4.120 -0.001 0.000 0.312 681 V C -2.512 173.598 176.094 0.027 0.000 1.061 681 V CA -2.345 59.963 62.300 0.014 0.000 0.931 681 V CB 2.398 34.227 31.823 0.011 0.000 1.010 681 V HN 0.439 nan 8.190 nan 0.000 0.433 682 P HA 0.205 nan 4.420 nan 0.000 0.272 682 P C -1.267 176.074 177.300 0.068 0.000 1.230 682 P CA -0.062 63.069 63.100 0.051 0.000 0.788 682 P CB 0.915 32.648 31.700 0.056 0.000 0.949 683 Q N 1.833 121.687 119.800 0.089 0.000 2.330 683 Q HA 0.275 4.614 4.340 -0.001 0.000 0.269 683 Q C -1.502 174.609 176.000 0.185 0.000 1.022 683 Q CA -0.817 55.054 55.803 0.113 0.000 0.796 683 Q CB 1.159 29.943 28.738 0.075 0.000 1.271 683 Q HN 0.388 nan 8.270 nan 0.000 0.450 684 W N 4.403 125.702 121.300 -0.001 0.000 2.218 684 W HA 0.397 5.057 4.660 -0.001 0.000 0.326 684 W C -1.177 175.344 176.519 0.004 0.000 1.276 684 W CA -0.319 57.027 57.345 0.002 0.000 1.210 684 W CB 0.966 30.419 29.460 -0.010 0.000 1.143 684 W HN 0.385 nan 8.180 nan 0.000 0.563 685 V N 9.617 129.353 119.914 -0.295 0.000 2.327 685 V HA 0.119 4.239 4.120 -0.001 0.000 0.272 685 V C -1.563 174.083 176.094 -0.746 0.000 1.019 685 V CA -1.394 60.685 62.300 -0.369 0.000 0.814 685 V CB 1.208 32.926 31.823 -0.175 0.000 1.040 685 V HN 0.481 nan 8.190 nan 0.000 0.440 686 P HA -0.195 nan 4.420 nan 0.000 0.217 686 P C 1.228 178.191 177.300 -0.561 0.000 1.151 686 P CA 1.349 63.707 63.100 -1.237 0.000 0.849 686 P CB 0.380 31.541 31.700 -0.898 0.000 0.787 687 E N -0.814 119.173 120.200 -0.356 0.000 2.204 687 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 687 E C 1.167 177.670 176.600 -0.161 0.000 0.989 687 E CA 1.195 57.475 56.400 -0.201 0.000 0.824 687 E CB -0.870 28.745 29.700 -0.142 0.000 0.756 687 E HN 0.488 nan 8.360 nan 0.000 0.477 688 N N -0.690 117.899 118.700 -0.185 0.000 2.236 688 N HA 0.082 4.821 4.740 -0.001 0.000 0.196 688 N C -0.455 175.015 175.510 -0.068 0.000 1.114 688 N CA -0.284 52.702 53.050 -0.106 0.000 0.859 688 N CB 0.511 38.947 38.487 -0.084 0.000 0.982 688 N HN 0.040 nan 8.380 nan 0.000 0.493 689 C N 1.798 121.045 119.300 -0.089 0.000 2.632 689 C HA 0.215 4.674 4.460 -0.001 0.000 0.415 689 C C 1.733 176.749 174.990 0.043 0.000 1.332 689 C CA -0.680 58.380 59.018 0.069 0.000 1.874 689 C CB -1.028 26.881 27.740 0.281 0.000 2.596 689 C HN 0.541 nan 8.230 nan 0.000 0.590 690 I N 2.239 122.829 120.570 0.033 0.000 3.861 690 I HA 0.228 4.397 4.170 -0.001 0.000 0.329 690 I C 0.767 176.821 176.117 -0.104 0.000 1.321 690 I CA 0.071 61.353 61.300 -0.030 0.000 1.126 690 I CB -0.623 37.361 38.000 -0.027 0.000 1.018 690 I HN 0.845 nan 8.210 nan 0.000 0.407 691 Q N 0.946 120.660 119.800 -0.144 0.000 2.452 691 Q HA -0.230 4.109 4.340 -0.001 0.000 0.318 691 Q C 1.222 177.032 176.000 -0.316 0.000 1.386 691 Q CA 0.661 56.146 55.803 -0.530 0.000 0.872 691 Q CB -2.024 26.200 28.738 -0.856 0.000 1.151 691 Q HN 0.953 nan 8.270 nan 0.000 0.417 692 C N -2.975 116.266 119.300 -0.099 0.000 2.735 692 C HA 0.199 4.659 4.460 -0.001 0.000 0.271 692 C C 1.115 176.071 174.990 -0.056 0.000 1.281 692 C CA 0.635 59.608 59.018 -0.075 0.000 1.719 692 C CB -0.490 27.218 27.740 -0.054 0.000 2.024 692 C HN 0.857 nan 8.230 nan 0.000 0.566 693 N N 0.263 118.978 118.700 0.025 0.000 2.828 693 N HA -0.256 4.483 4.740 -0.001 0.000 0.248 693 N C 0.837 176.354 175.510 0.012 0.000 1.044 693 N CA 1.026 54.081 53.050 0.007 0.000 0.851 693 N CB -1.099 37.312 38.487 -0.126 0.000 1.136 693 N HN 0.734 nan 8.380 nan 0.000 0.572 694 Q N -0.211 119.587 119.800 -0.003 0.000 2.167 694 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 694 Q C 2.551 178.584 176.000 0.056 0.000 0.970 694 Q CA 1.789 57.586 55.803 -0.010 0.000 0.855 694 Q CB -0.041 28.665 28.738 -0.053 0.000 0.911 694 Q HN 0.827 nan 8.270 nan 0.000 0.438 695 C N -0.296 119.034 119.300 0.050 0.000 2.413 695 C HA -0.008 4.452 4.460 -0.001 0.000 0.276 695 C C 2.756 177.769 174.990 0.038 0.000 1.236 695 C CA 0.480 59.525 59.018 0.046 0.000 1.735 695 C CB -1.370 26.396 27.740 0.043 0.000 2.031 695 C HN 0.469 nan 8.230 nan 0.000 0.474 696 A N 0.314 123.149 122.820 0.025 0.000 1.902 696 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 696 A C 2.016 179.610 177.584 0.015 0.000 1.181 696 A CA 1.666 53.699 52.037 -0.007 0.000 0.623 696 A CB -1.119 17.852 19.000 -0.048 0.000 0.818 696 A HN 0.593 nan 8.150 nan 0.000 0.443 697 F N 0.125 120.022 119.950 -0.089 0.000 2.161 697 F HA -0.160 4.367 4.527 -0.002 0.000 0.300 697 F C 2.199 177.939 175.800 -0.100 0.000 1.089 697 F CA 1.948 59.897 58.000 -0.084 0.000 1.282 697 F CB -0.003 38.958 39.000 -0.064 0.000 1.010 697 F HN 0.051 nan 8.300 nan 0.000 0.485 698 V N -0.837 119.179 119.914 0.169 0.000 3.129 698 V HA -0.090 4.029 4.120 -0.001 0.000 0.259 698 V C 0.966 177.036 176.094 -0.040 0.000 1.116 698 V CA 0.405 62.739 62.300 0.057 0.000 1.127 698 V CB -0.411 31.457 31.823 0.075 0.000 0.742 698 V HN 0.411 nan 8.190 nan 0.000 0.474 699 C N 2.870 122.142 119.300 -0.046 0.000 2.638 699 C HA 0.154 4.613 4.460 -0.001 0.000 0.410 699 C C -0.571 174.359 174.990 -0.100 0.000 1.404 699 C CA -0.958 58.034 59.018 -0.044 0.000 1.651 699 C CB 0.275 28.002 27.740 -0.022 0.000 2.495 699 C HN 0.355 nan 8.230 nan 0.000 0.606 700 P HA 0.060 nan 4.420 nan 0.000 0.242 700 P C -0.021 177.018 177.300 -0.435 0.000 1.197 700 P CA 1.226 64.200 63.100 -0.210 0.000 0.765 700 P CB 0.013 31.657 31.700 -0.094 0.000 0.936 701 H N -3.391 115.596 119.070 -0.138 0.000 3.398 701 H HA 0.292 4.847 4.556 -0.001 0.000 0.260 701 H C 0.409 175.694 175.328 -0.072 0.000 1.189 701 H CA -0.085 55.907 56.048 -0.094 0.000 1.145 701 H CB 0.178 29.944 29.762 0.007 0.000 1.599 701 H HN -0.222 nan 8.280 nan 0.000 0.615 702 S N 0.109 115.772 115.700 -0.062 0.000 3.698 702 S HA -0.234 4.235 4.470 -0.001 0.000 0.338 702 S C 1.273 175.941 174.600 0.113 0.000 1.089 702 S CA 0.461 58.596 58.200 -0.107 0.000 0.991 702 S CB -1.395 61.581 63.200 -0.373 0.000 0.909 702 S HN 0.686 nan 8.310 nan 0.000 0.485 703 A N -0.032 122.877 122.820 0.148 0.000 2.275 703 A HA 0.469 4.788 4.320 -0.001 0.000 0.212 703 A C 0.636 178.255 177.584 0.059 0.000 1.201 703 A CA 0.297 52.429 52.037 0.158 0.000 0.843 703 A CB 0.138 19.205 19.000 0.112 0.000 0.873 703 A HN 0.660 nan 8.150 nan 0.000 0.492 704 I N 0.627 121.206 120.570 0.015 0.000 2.378 704 I HA 0.355 4.524 4.170 -0.001 0.000 0.291 704 I C -1.066 175.013 176.117 -0.065 0.000 0.992 704 I CA -0.837 60.437 61.300 -0.043 0.000 1.154 704 I CB 1.936 39.903 38.000 -0.055 0.000 1.315 704 I HN 0.094 nan 8.210 nan 0.000 0.448 705 L N 9.757 130.919 121.223 -0.100 0.000 2.318 705 L HA 0.621 4.960 4.340 -0.001 0.000 0.277 705 L C -2.684 174.070 176.870 -0.194 0.000 1.008 705 L CA -1.837 52.940 54.840 -0.104 0.000 0.846 705 L CB 1.207 43.236 42.059 -0.051 0.000 1.220 705 L HN 0.220 nan 8.230 nan 0.000 0.423 706 P HA 0.241 nan 4.420 nan 0.000 0.276 706 P C -1.214 175.985 177.300 -0.169 0.000 1.235 706 P CA -0.043 62.900 63.100 -0.263 0.000 0.772 706 P CB 1.221 32.853 31.700 -0.113 0.000 0.871 707 V N 5.276 124.976 119.914 -0.355 0.000 2.540 707 V HA 0.441 4.560 4.120 -0.001 0.000 0.302 707 V C -0.349 175.624 176.094 -0.202 0.000 1.035 707 V CA -0.502 61.685 62.300 -0.189 0.000 0.873 707 V CB 1.824 33.576 31.823 -0.117 0.000 0.992 707 V HN 0.320 nan 8.190 nan 0.000 0.428 708 L N 4.938 126.071 121.223 -0.149 0.000 2.485 708 L HA 0.880 5.219 4.340 -0.001 0.000 0.260 708 L C -0.178 176.647 176.870 -0.075 0.000 0.998 708 L CA 0.091 54.812 54.840 -0.199 0.000 0.883 708 L CB 1.046 42.684 42.059 -0.702 0.000 1.196 708 L HN 0.780 nan 8.230 nan 0.000 0.443 709 A N 4.574 127.471 122.820 0.128 0.000 2.401 709 A HA 0.779 5.098 4.320 -0.001 0.000 0.310 709 A C -0.945 176.811 177.584 0.286 0.000 1.075 709 A CA -0.833 51.328 52.037 0.207 0.000 0.746 709 A CB 1.378 20.479 19.000 0.168 0.000 1.277 709 A HN 0.507 nan 8.150 nan 0.000 0.425 710 K N 1.358 121.890 120.400 0.221 0.000 2.154 710 K HA 0.193 4.512 4.320 -0.001 0.000 0.264 710 K C 0.450 177.090 176.600 0.068 0.000 1.008 710 K CA 0.076 56.391 56.287 0.046 0.000 0.937 710 K CB 1.124 33.576 32.500 -0.080 0.000 1.002 710 K HN 0.850 nan 8.250 nan 0.000 0.469 711 E N 1.777 122.003 120.200 0.044 0.000 2.233 711 E HA -0.270 4.079 4.350 -0.001 0.000 0.199 711 E C 0.898 177.535 176.600 0.062 0.000 1.004 711 E CA 1.637 58.075 56.400 0.063 0.000 0.819 711 E CB -0.191 29.536 29.700 0.045 0.000 0.738 711 E HN 0.768 nan 8.360 nan 0.000 0.478 712 E N 1.189 121.414 120.200 0.041 0.000 2.482 712 E HA -0.102 4.247 4.350 -0.001 0.000 0.196 712 E C 1.040 177.670 176.600 0.051 0.000 1.047 712 E CA 0.625 57.047 56.400 0.037 0.000 0.869 712 E CB -0.025 29.685 29.700 0.018 0.000 0.836 712 E HN 0.527 nan 8.360 nan 0.000 0.520 713 E N 0.207 120.450 120.200 0.071 0.000 2.476 713 E HA 0.070 4.420 4.350 -0.001 0.000 0.199 713 E C 0.723 177.413 176.600 0.149 0.000 1.021 713 E CA -0.162 56.283 56.400 0.075 0.000 0.907 713 E CB 0.436 30.174 29.700 0.063 0.000 0.974 713 E HN 0.080 nan 8.360 nan 0.000 0.489 714 L N 0.654 121.981 121.223 0.173 0.000 2.700 714 L HA 0.097 4.436 4.340 -0.001 0.000 0.234 714 L C 1.702 178.651 176.870 0.130 0.000 1.156 714 L CA 0.311 55.289 54.840 0.229 0.000 0.946 714 L CB -0.372 41.818 42.059 0.218 0.000 1.216 714 L HN -0.005 nan 8.230 nan 0.000 0.493 715 V N 1.011 120.993 119.914 0.114 0.000 2.231 715 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 715 V C 2.068 178.171 176.094 0.015 0.000 1.054 715 V CA 2.241 64.575 62.300 0.056 0.000 1.015 715 V CB -0.841 31.012 31.823 0.050 0.000 0.638 715 V HN 0.576 nan 8.190 nan 0.000 0.444 716 G N -0.582 108.257 108.800 0.065 0.000 3.424 716 G HA2 0.424 4.383 3.960 -0.001 0.000 0.263 716 G HA3 0.424 4.383 3.960 -0.001 0.000 0.263 716 G C 0.306 174.994 174.900 -0.353 0.000 1.310 716 G CA 0.458 45.548 45.100 -0.016 0.000 1.089 716 G HN 0.628 nan 8.290 nan 0.000 0.534 717 A N 0.904 123.360 122.820 -0.607 0.000 2.388 717 A HA 0.636 4.955 4.320 -0.001 0.000 0.257 717 A C -1.982 175.235 177.584 -0.612 0.000 1.095 717 A CA -1.029 50.260 52.037 -1.245 0.000 0.791 717 A CB 0.484 19.015 19.000 -0.781 0.000 1.029 717 A HN 0.226 nan 8.150 nan 0.000 0.489 718 P HA 0.214 nan 4.420 nan 0.000 0.269 718 P C 1.004 178.266 177.300 -0.063 0.000 1.209 718 P CA 0.519 63.488 63.100 -0.218 0.000 0.776 718 P CB 0.763 32.379 31.700 -0.141 0.000 0.876 719 A N 3.498 126.301 122.820 -0.028 0.000 1.903 719 A HA -0.262 4.057 4.320 -0.001 0.000 0.219 719 A C 1.539 179.156 177.584 0.055 0.000 1.191 719 A CA 2.284 54.328 52.037 0.011 0.000 0.638 719 A CB -1.552 17.451 19.000 0.006 0.000 0.823 719 A HN 0.826 nan 8.150 nan 0.000 0.451 720 N N -2.118 116.626 118.700 0.073 0.000 2.434 720 N HA 0.035 4.775 4.740 -0.001 0.000 0.196 720 N C 0.245 175.849 175.510 0.158 0.000 1.183 720 N CA -0.171 52.937 53.050 0.097 0.000 0.849 720 N CB -0.130 38.403 38.487 0.077 0.000 0.992 720 N HN 0.332 nan 8.380 nan 0.000 0.460 721 F N 3.343 123.295 119.950 0.003 0.000 2.651 721 F HA 0.111 4.638 4.527 -0.001 0.000 0.369 721 F C 0.079 175.931 175.800 0.087 0.000 1.187 721 F CA -0.333 57.684 58.000 0.029 0.000 1.335 721 F CB -0.941 38.026 39.000 -0.056 0.000 1.707 721 F HN -0.109 nan 8.300 nan 0.000 0.637 722 T N 2.786 117.377 114.554 0.062 0.000 2.871 722 T HA 0.394 4.743 4.350 -0.001 0.000 0.296 722 T C 0.198 174.978 174.700 0.134 0.000 0.998 722 T CA 0.135 62.291 62.100 0.093 0.000 1.162 722 T CB 0.491 69.407 68.868 0.080 0.000 0.947 722 T HN 0.527 nan 8.240 nan 0.000 0.536 723 A N 4.367 127.276 122.820 0.149 0.000 2.353 723 A HA 0.655 4.974 4.320 -0.001 0.000 0.299 723 A C -0.046 177.679 177.584 0.235 0.000 1.089 723 A CA -0.882 51.281 52.037 0.209 0.000 0.736 723 A CB 0.750 19.836 19.000 0.143 0.000 1.195 723 A HN 0.822 nan 8.150 nan 0.000 0.447 724 L N 1.095 122.521 121.223 0.339 0.000 2.472 724 L HA 0.257 4.596 4.340 -0.001 0.000 0.260 724 L C 1.069 178.082 176.870 0.237 0.000 1.209 724 L CA -0.284 54.709 54.840 0.255 0.000 0.817 724 L CB 0.460 42.703 42.059 0.306 0.000 1.106 724 L HN 0.798 nan 8.230 nan 0.000 0.479 725 E N 1.076 121.371 120.200 0.158 0.000 2.316 725 E HA 0.275 4.624 4.350 -0.001 0.000 0.275 725 E C -0.533 176.159 176.600 0.153 0.000 1.029 725 E CA -0.740 55.744 56.400 0.141 0.000 0.871 725 E CB 1.229 30.981 29.700 0.088 0.000 1.022 725 E HN 0.622 nan 8.360 nan 0.000 0.418 726 A N 5.193 128.127 122.820 0.189 0.000 2.548 726 A HA 0.029 4.348 4.320 -0.001 0.000 0.247 726 A C -0.091 177.548 177.584 0.092 0.000 1.067 726 A CA 0.310 52.452 52.037 0.175 0.000 0.757 726 A CB 0.151 19.302 19.000 0.252 0.000 0.996 726 A HN 0.616 nan 8.150 nan 0.000 0.504 727 K N 1.477 121.889 120.400 0.021 0.000 2.258 727 K HA 0.529 4.848 4.320 -0.001 0.000 0.284 727 K C 0.248 176.859 176.600 0.019 0.000 1.051 727 K CA 0.681 56.967 56.287 -0.001 0.000 0.923 727 K CB 1.079 33.544 32.500 -0.058 0.000 1.046 727 K HN 1.194 nan 8.250 nan 0.000 0.474 728 G N 1.946 110.767 108.800 0.035 0.000 2.306 728 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.340 728 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.340 728 G C 0.105 175.038 174.900 0.056 0.000 1.630 728 G CA -0.691 44.436 45.100 0.046 0.000 0.937 728 G HN 0.573 nan 8.290 nan 0.000 0.693 729 K N 0.471 120.898 120.400 0.045 0.000 2.001 729 K HA -0.152 4.167 4.320 -0.001 0.000 0.214 729 K C 1.886 178.522 176.600 0.060 0.000 1.050 729 K CA 2.395 58.708 56.287 0.043 0.000 0.934 729 K CB -0.119 32.401 32.500 0.034 0.000 0.718 729 K HN 0.469 nan 8.250 nan 0.000 0.443 730 E N 0.623 120.865 120.200 0.069 0.000 2.204 730 E HA -0.052 4.297 4.350 -0.001 0.000 0.194 730 E C 0.452 177.139 176.600 0.145 0.000 0.989 730 E CA 0.821 57.274 56.400 0.088 0.000 0.824 730 E CB 0.038 29.784 29.700 0.075 0.000 0.756 730 E HN 0.359 nan 8.360 nan 0.000 0.477 731 L N 0.953 122.267 121.223 0.152 0.000 2.828 731 L HA 0.322 4.661 4.340 -0.001 0.000 0.233 731 L C 1.235 178.250 176.870 0.241 0.000 1.250 731 L CA -0.244 54.757 54.840 0.267 0.000 1.125 731 L CB 0.360 42.516 42.059 0.161 0.000 1.432 731 L HN -0.042 nan 8.230 nan 0.000 0.444 732 K N 1.542 122.036 120.400 0.156 0.000 1.995 732 K HA 0.007 4.326 4.320 -0.001 0.000 0.207 732 K C 1.952 178.564 176.600 0.020 0.000 1.041 732 K CA 1.209 57.537 56.287 0.069 0.000 0.942 732 K CB 0.029 32.545 32.500 0.028 0.000 0.731 732 K HN 0.572 nan 8.250 nan 0.000 0.439 733 G N -0.088 108.647 108.800 -0.108 0.000 2.598 733 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.215 733 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.215 733 G C 0.158 174.953 174.900 -0.175 0.000 1.131 733 G CA 0.281 45.275 45.100 -0.178 0.000 0.785 733 G HN 0.126 nan 8.290 nan 0.000 0.539 734 Y N 0.311 120.630 120.300 0.032 0.000 2.296 734 Y HA 0.441 4.991 4.550 -0.001 0.000 0.343 734 Y C 0.649 176.601 175.900 0.086 0.000 1.292 734 Y CA -0.248 57.877 58.100 0.042 0.000 1.490 734 Y CB 0.701 39.168 38.460 0.012 0.000 1.359 734 Y HN -0.226 nan 8.280 nan 0.000 0.599 735 K N 1.477 122.057 120.400 0.299 0.000 2.324 735 K HA 0.365 4.684 4.320 -0.001 0.000 0.253 735 K C -1.657 175.118 176.600 0.292 0.000 0.932 735 K CA -0.768 55.672 56.287 0.256 0.000 0.799 735 K CB 2.009 34.633 32.500 0.206 0.000 1.154 735 K HN 0.564 nan 8.250 nan 0.000 0.425 736 F N 2.216 122.257 119.950 0.151 0.000 2.482 736 F HA 0.513 5.039 4.527 -0.001 0.000 0.331 736 F C -0.263 175.608 175.800 0.119 0.000 1.115 736 F CA -0.750 57.331 58.000 0.134 0.000 0.955 736 F CB 1.383 40.490 39.000 0.179 0.000 1.136 736 F HN 0.487 nan 8.300 nan 0.000 0.452 737 R N 7.270 127.389 120.500 -0.634 0.000 2.533 737 R HA 0.464 4.803 4.340 -0.001 0.000 0.288 737 R C -2.118 173.375 176.300 -1.345 0.000 1.039 737 R CA -0.720 54.867 56.100 -0.854 0.000 0.909 737 R CB 1.151 31.081 30.300 -0.618 0.000 1.195 737 R HN 0.626 nan 8.270 nan 0.000 0.438 738 I N 4.021 123.407 120.570 -1.975 0.000 2.337 738 I HA 0.147 4.316 4.170 -0.001 0.000 0.291 738 I C -0.205 175.328 176.117 -0.974 0.000 1.046 738 I CA -0.048 60.441 61.300 -1.351 0.000 1.324 738 I CB 1.224 38.394 38.000 -1.383 0.000 1.409 738 I HN 0.676 nan 8.210 nan 0.000 0.494 739 Q N 7.255 126.732 119.800 -0.538 0.000 2.347 739 Q HA 0.408 4.747 4.340 -0.001 0.000 0.262 739 Q C -0.886 175.019 176.000 -0.158 0.000 0.980 739 Q CA -0.449 55.179 55.803 -0.292 0.000 0.867 739 Q CB 0.988 29.625 28.738 -0.167 0.000 1.242 739 Q HN 0.375 nan 8.270 nan 0.000 0.453 740 I N 3.461 123.975 120.570 -0.093 0.000 2.474 740 I HA 0.163 4.333 4.170 -0.001 0.000 0.287 740 I C 0.307 176.416 176.117 -0.014 0.000 1.048 740 I CA -0.010 61.267 61.300 -0.038 0.000 1.383 740 I CB 0.860 38.859 38.000 -0.002 0.000 1.412 740 I HN 0.794 nan 8.210 nan 0.000 0.531 741 N N 3.711 122.404 118.700 -0.012 0.000 3.105 741 N HA 0.046 4.785 4.740 -0.001 0.000 0.256 741 N C 1.328 176.809 175.510 -0.048 0.000 1.174 741 N CA -0.117 52.913 53.050 -0.032 0.000 1.030 741 N CB 0.490 38.964 38.487 -0.023 0.000 1.305 741 N HN 0.738 nan 8.380 nan 0.000 0.509 742 T N -0.072 114.464 114.554 -0.030 0.000 2.778 742 T HA -0.198 4.151 4.350 -0.001 0.000 0.269 742 T C 1.559 176.231 174.700 -0.046 0.000 1.050 742 T CA 0.948 63.033 62.100 -0.024 0.000 1.137 742 T CB -0.160 68.707 68.868 -0.002 0.000 0.860 742 T HN 0.414 nan 8.240 nan 0.000 0.468 743 L N 0.215 121.391 121.223 -0.079 0.000 2.270 743 L HA 0.121 4.460 4.340 -0.001 0.000 0.210 743 L C 2.200 178.984 176.870 -0.144 0.000 1.104 743 L CA 0.955 55.736 54.840 -0.097 0.000 0.804 743 L CB -0.239 41.758 42.059 -0.104 0.000 0.937 743 L HN 0.196 nan 8.230 nan 0.000 0.450 744 D N -0.883 119.393 120.400 -0.206 0.000 2.367 744 D HA 0.001 4.640 4.640 -0.001 0.000 0.207 744 D C 0.710 176.962 176.300 -0.080 0.000 1.034 744 D CA 0.134 53.997 54.000 -0.228 0.000 0.861 744 D CB 0.209 40.658 40.800 -0.584 0.000 0.943 744 D HN 0.203 nan 8.370 nan 0.000 0.515 745 C N 1.382 120.644 119.300 -0.064 0.000 2.657 745 C HA 0.054 4.513 4.460 -0.001 0.000 0.420 745 C C 1.552 176.476 174.990 -0.110 0.000 1.323 745 C CA -0.115 58.873 59.018 -0.050 0.000 1.894 745 C CB -0.233 27.491 27.740 -0.027 0.000 2.681 745 C HN 0.187 nan 8.230 nan 0.000 0.613 746 M N 4.235 123.735 119.600 -0.168 0.000 2.356 746 M HA 0.202 4.681 4.480 -0.001 0.000 0.262 746 M C 1.624 177.865 176.300 -0.100 0.000 1.097 746 M CA 0.950 56.127 55.300 -0.206 0.000 0.991 746 M CB -0.783 31.553 32.600 -0.440 0.000 1.450 746 M HN 1.178 nan 8.290 nan 0.000 0.495 747 G N 1.300 110.066 108.800 -0.057 0.000 2.198 747 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.260 747 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.260 747 G C 1.001 175.893 174.900 -0.014 0.000 1.025 747 G CA 0.528 45.613 45.100 -0.025 0.000 0.769 747 G HN 0.651 nan 8.290 nan 0.000 0.507 748 C N -2.350 116.943 119.300 -0.012 0.000 2.476 748 C HA 0.524 4.983 4.460 -0.001 0.000 0.278 748 C C 2.663 177.659 174.990 0.010 0.000 1.274 748 C CA 1.691 60.710 59.018 0.003 0.000 1.713 748 C CB -0.640 27.109 27.740 0.014 0.000 2.039 748 C HN 2.406 nan 8.230 nan 0.000 0.484 749 G N 0.908 109.716 108.800 0.013 0.000 2.195 749 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.224 749 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.224 749 G C 0.550 175.463 174.900 0.020 0.000 0.990 749 G CA 0.590 45.700 45.100 0.017 0.000 0.639 749 G HN 0.579 nan 8.290 nan 0.000 0.514 750 N N 0.211 118.922 118.700 0.019 0.000 2.060 750 N HA -0.222 4.517 4.740 -0.001 0.000 0.195 750 N C 2.670 178.194 175.510 0.022 0.000 1.028 750 N CA 2.762 55.823 53.050 0.019 0.000 0.861 750 N CB -0.490 38.004 38.487 0.012 0.000 1.029 750 N HN 0.974 nan 8.380 nan 0.000 0.428 751 C N 0.007 119.323 119.300 0.025 0.000 2.413 751 C HA 0.083 4.542 4.460 -0.001 0.000 0.277 751 C C 2.775 177.789 174.990 0.040 0.000 1.228 751 C CA 0.504 59.541 59.018 0.033 0.000 1.731 751 C CB -1.416 26.344 27.740 0.034 0.000 2.042 751 C HN 0.396 nan 8.230 nan 0.000 0.468 752 A N 1.204 124.049 122.820 0.041 0.000 1.933 752 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 752 A C 1.910 179.514 177.584 0.034 0.000 1.175 752 A CA 2.372 54.435 52.037 0.044 0.000 0.628 752 A CB -1.057 17.967 19.000 0.039 0.000 0.814 752 A HN 0.689 nan 8.150 nan 0.000 0.444 753 D N -1.114 119.303 120.400 0.027 0.000 2.178 753 D HA -0.104 4.535 4.640 -0.001 0.000 0.202 753 D C 1.525 177.837 176.300 0.020 0.000 0.974 753 D CA 1.050 55.063 54.000 0.022 0.000 0.841 753 D CB -0.050 40.763 40.800 0.021 0.000 0.953 753 D HN 0.300 nan 8.370 nan 0.000 0.478 754 I N 0.244 120.827 120.570 0.021 0.000 2.585 754 I HA 0.026 4.196 4.170 -0.001 0.000 0.254 754 I C 0.567 176.692 176.117 0.014 0.000 1.129 754 I CA -0.013 61.295 61.300 0.013 0.000 1.455 754 I CB -0.384 37.623 38.000 0.012 0.000 1.111 754 I HN 0.135 nan 8.210 nan 0.000 0.433 755 C N 4.164 123.483 119.300 0.030 0.000 1.912 755 C HA -0.122 4.337 4.460 -0.001 0.000 0.414 755 C C -0.477 174.527 174.990 0.024 0.000 1.545 755 C CA -0.801 58.243 59.018 0.042 0.000 1.468 755 C CB -0.232 27.546 27.740 0.064 0.000 2.697 755 C HN 0.280 nan 8.230 nan 0.000 0.597 756 P HA -0.004 nan 4.420 nan 0.000 0.214 756 P C -1.789 175.511 177.300 0.000 0.000 1.162 756 P CA 1.112 64.211 63.100 -0.001 0.000 0.879 756 P CB -1.013 30.679 31.700 -0.013 0.000 0.786 757 P HA -0.065 nan 4.420 nan 0.000 0.264 757 P C 0.360 177.659 177.300 -0.002 0.000 1.183 757 P CA 0.659 63.758 63.100 -0.002 0.000 0.763 757 P CB 0.720 32.417 31.700 -0.004 0.000 0.807 758 K N 1.376 121.772 120.400 -0.006 0.000 2.103 758 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 758 K C 0.603 177.200 176.600 -0.006 0.000 1.048 758 K CA 1.100 57.384 56.287 -0.005 0.000 0.930 758 K CB -0.073 32.422 32.500 -0.007 0.000 0.716 758 K HN 0.441 nan 8.250 nan 0.000 0.444 759 E N 2.380 122.574 120.200 -0.010 0.000 1.924 759 E HA 0.097 4.447 4.350 -0.001 0.000 0.261 759 E C -0.603 175.989 176.600 -0.014 0.000 1.088 759 E CA -0.141 56.250 56.400 -0.015 0.000 0.909 759 E CB 0.541 30.227 29.700 -0.023 0.000 1.112 759 E HN 0.044 nan 8.360 nan 0.000 0.425 760 K N 0.861 121.258 120.400 -0.004 0.000 2.530 760 K HA -0.045 4.274 4.320 -0.001 0.000 0.280 760 K C 0.838 177.440 176.600 0.003 0.000 1.004 760 K CA 0.123 56.415 56.287 0.009 0.000 1.071 760 K CB 0.639 33.149 32.500 0.018 0.000 0.876 760 K HN 0.399 nan 8.250 nan 0.000 0.487 761 A N 4.156 126.995 122.820 0.032 0.000 2.218 761 A HA 0.131 4.451 4.320 -0.001 0.000 0.209 761 A C 0.521 178.182 177.584 0.127 0.000 1.168 761 A CA 0.381 52.438 52.037 0.033 0.000 0.804 761 A CB 0.196 19.268 19.000 0.121 0.000 0.834 761 A HN 0.555 nan 8.150 nan 0.000 0.482 762 L N 0.535 121.827 121.223 0.114 0.000 2.439 762 L HA 0.504 4.843 4.340 -0.001 0.000 0.270 762 L C -1.560 175.354 176.870 0.073 0.000 0.972 762 L CA -0.634 54.283 54.840 0.128 0.000 0.836 762 L CB 2.439 44.578 42.059 0.134 0.000 1.255 762 L HN -0.100 nan 8.230 nan 0.000 0.404 763 V N 3.930 123.883 119.914 0.065 0.000 2.577 763 V HA 0.414 4.533 4.120 -0.001 0.000 0.303 763 V C 0.186 176.305 176.094 0.041 0.000 1.042 763 V CA -0.668 61.657 62.300 0.041 0.000 0.872 763 V CB 2.114 33.954 31.823 0.027 0.000 0.998 763 V HN 0.651 nan 8.190 nan 0.000 0.423 764 M N 4.754 124.373 119.600 0.032 0.000 2.239 764 M HA 0.366 4.845 4.480 -0.001 0.000 0.348 764 M C -0.218 176.097 176.300 0.025 0.000 1.239 764 M CA 0.609 55.926 55.300 0.028 0.000 1.114 764 M CB 0.397 33.010 32.600 0.021 0.000 1.641 764 M HN 0.629 nan 8.290 nan 0.000 0.453 765 Q N 2.561 122.376 119.800 0.025 0.000 2.462 765 Q HA 0.562 4.901 4.340 -0.001 0.000 0.285 765 Q C -2.539 173.474 176.000 0.021 0.000 1.035 765 Q CA -1.929 53.888 55.803 0.023 0.000 0.799 765 Q CB 1.404 30.158 28.738 0.027 0.000 1.452 765 Q HN 0.314 nan 8.270 nan 0.000 0.404 766 P HA -0.024 nan 4.420 nan 0.000 0.266 766 P C 0.817 178.131 177.300 0.023 0.000 1.195 766 P CA -0.123 62.988 63.100 0.020 0.000 0.768 766 P CB 0.525 32.237 31.700 0.021 0.000 0.838 767 L N 3.570 124.806 121.223 0.021 0.000 2.079 767 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 767 L C 1.439 178.326 176.870 0.028 0.000 1.081 767 L CA 2.087 56.940 54.840 0.022 0.000 0.752 767 L CB -1.053 41.017 42.059 0.019 0.000 0.896 767 L HN 0.300 nan 8.230 nan 0.000 0.433 768 D N -0.890 119.530 120.400 0.033 0.000 2.149 768 D HA -0.175 4.464 4.640 -0.001 0.000 0.198 768 D C 2.117 178.439 176.300 0.036 0.000 0.990 768 D CA 1.889 55.913 54.000 0.040 0.000 0.839 768 D CB -0.288 40.540 40.800 0.046 0.000 0.948 768 D HN 0.594 nan 8.370 nan 0.000 0.460 769 T N -1.881 112.693 114.554 0.033 0.000 3.035 769 T HA -0.060 4.289 4.350 -0.001 0.000 0.268 769 T C 1.570 176.290 174.700 0.033 0.000 1.109 769 T CA 0.705 62.824 62.100 0.031 0.000 1.119 769 T CB 0.217 69.102 68.868 0.028 0.000 0.900 769 T HN -0.009 nan 8.240 nan 0.000 0.503 770 Q N 0.938 120.758 119.800 0.033 0.000 2.423 770 Q HA 0.191 4.530 4.340 -0.001 0.000 0.231 770 Q C 2.454 178.474 176.000 0.034 0.000 0.894 770 Q CA 0.558 56.383 55.803 0.035 0.000 0.938 770 Q CB -0.043 28.716 28.738 0.034 0.000 1.079 770 Q HN 0.711 nan 8.270 nan 0.000 0.552 771 R N 1.343 121.860 120.500 0.029 0.000 2.091 771 R HA -0.118 4.221 4.340 -0.001 0.000 0.238 771 R C 1.360 177.677 176.300 0.027 0.000 1.136 771 R CA 1.773 57.888 56.100 0.025 0.000 0.959 771 R CB -0.539 29.773 30.300 0.021 0.000 0.856 771 R HN 0.036 nan 8.270 nan 0.000 0.437 772 D N 1.118 121.535 120.400 0.029 0.000 2.117 772 D HA -0.116 4.523 4.640 -0.001 0.000 0.197 772 D C 1.996 178.315 176.300 0.033 0.000 0.987 772 D CA 1.818 55.835 54.000 0.027 0.000 0.829 772 D CB -0.367 40.448 40.800 0.025 0.000 0.961 772 D HN 0.412 nan 8.370 nan 0.000 0.460 773 A N 0.847 123.691 122.820 0.039 0.000 1.854 773 A HA -0.142 4.177 4.320 -0.001 0.000 0.214 773 A C 2.039 179.662 177.584 0.066 0.000 1.192 773 A CA 1.117 53.184 52.037 0.051 0.000 0.611 773 A CB -0.332 18.701 19.000 0.054 0.000 0.832 773 A HN 0.043 nan 8.150 nan 0.000 0.442 774 Q N -0.178 119.659 119.800 0.062 0.000 2.378 774 Q HA 0.033 4.372 4.340 -0.001 0.000 0.205 774 Q C 2.148 178.183 176.000 0.059 0.000 0.954 774 Q CA 0.918 56.764 55.803 0.070 0.000 0.901 774 Q CB -0.642 28.129 28.738 0.055 0.000 0.981 774 Q HN 0.467 nan 8.270 nan 0.000 0.483 775 V N 2.543 122.481 119.914 0.039 0.000 2.307 775 V HA -0.159 3.960 4.120 -0.001 0.000 0.245 775 V C -0.585 175.533 176.094 0.040 0.000 1.045 775 V CA 1.996 64.310 62.300 0.024 0.000 1.024 775 V CB -1.624 30.205 31.823 0.010 0.000 0.651 775 V HN 0.245 nan 8.190 nan 0.000 0.449 776 P HA -0.130 nan 4.420 nan 0.000 0.219 776 P C 1.086 178.438 177.300 0.088 0.000 1.150 776 P CA 1.469 64.599 63.100 0.051 0.000 0.814 776 P CB -0.194 31.526 31.700 0.033 0.000 0.787 777 N N -0.157 118.622 118.700 0.133 0.000 2.142 777 N HA -0.069 4.670 4.740 -0.001 0.000 0.186 777 N C 1.908 177.591 175.510 0.288 0.000 1.023 777 N CA 0.214 53.423 53.050 0.265 0.000 0.852 777 N CB -0.430 38.263 38.487 0.344 0.000 0.998 777 N HN 0.023 nan 8.380 nan 0.000 0.424 778 L N 1.689 123.012 121.223 0.168 0.000 2.141 778 L HA -0.105 4.235 4.340 -0.001 0.000 0.209 778 L C 1.572 178.494 176.870 0.086 0.000 1.094 778 L CA 1.748 56.659 54.840 0.119 0.000 0.763 778 L CB -0.377 41.709 42.059 0.045 0.000 0.908 778 L HN 0.241 nan 8.230 nan 0.000 0.437 779 E N -1.091 119.152 120.200 0.072 0.000 2.047 779 E HA -0.274 4.075 4.350 -0.001 0.000 0.191 779 E C 1.964 178.586 176.600 0.037 0.000 0.987 779 E CA 1.554 57.977 56.400 0.040 0.000 0.799 779 E CB -0.263 29.459 29.700 0.038 0.000 0.752 779 E HN 0.514 nan 8.360 nan 0.000 0.449 780 Y N 1.006 121.259 120.300 -0.080 0.000 2.145 780 Y HA -0.222 4.327 4.550 -0.001 0.000 0.286 780 Y C 2.138 177.948 175.900 -0.149 0.000 1.145 780 Y CA 1.556 59.549 58.100 -0.179 0.000 1.148 780 Y CB -0.436 37.796 38.460 -0.381 0.000 0.981 780 Y HN 0.015 nan 8.280 nan 0.000 0.507 781 A N 0.496 123.349 122.820 0.054 0.000 2.024 781 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 781 A C 2.327 179.890 177.584 -0.035 0.000 1.164 781 A CA 1.768 53.878 52.037 0.121 0.000 0.643 781 A CB -1.426 17.789 19.000 0.360 0.000 0.806 781 A HN 0.634 nan 8.150 nan 0.000 0.451 782 A N -0.407 122.381 122.820 -0.054 0.000 2.067 782 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 782 A C 2.122 179.637 177.584 -0.116 0.000 1.158 782 A CA 1.293 53.293 52.037 -0.061 0.000 0.661 782 A CB -0.327 18.651 19.000 -0.037 0.000 0.801 782 A HN 0.550 nan 8.150 nan 0.000 0.452 783 R N -0.402 119.968 120.500 -0.216 0.000 2.189 783 R HA 0.091 4.430 4.340 -0.001 0.000 0.218 783 R C -0.018 176.149 176.300 -0.222 0.000 1.074 783 R CA 0.228 56.185 56.100 -0.238 0.000 0.991 783 R CB -0.134 29.950 30.300 -0.361 0.000 0.883 783 R HN 0.339 nan 8.270 nan 0.000 0.457 784 I N 3.155 123.584 120.570 -0.234 0.000 2.587 784 I HA 0.079 4.248 4.170 -0.001 0.000 0.284 784 I C -2.012 174.054 176.117 -0.085 0.000 1.134 784 I CA -2.843 58.368 61.300 -0.148 0.000 1.410 784 I CB -0.077 37.873 38.000 -0.084 0.000 1.392 784 I HN -0.196 nan 8.210 nan 0.000 0.545 785 P HA 0.048 nan 4.420 nan 0.000 0.266 785 P C -0.281 176.989 177.300 -0.049 0.000 1.195 785 P CA -0.195 62.876 63.100 -0.048 0.000 0.768 785 P CB 0.524 32.203 31.700 -0.034 0.000 0.838 786 V N 5.377 125.267 119.914 -0.041 0.000 2.427 786 V HA 0.026 4.145 4.120 -0.001 0.000 0.268 786 V C 1.087 177.150 176.094 -0.051 0.000 1.046 786 V CA -0.023 62.257 62.300 -0.035 0.000 0.970 786 V CB 0.228 32.043 31.823 -0.014 0.000 1.001 786 V HN 0.416 nan 8.190 nan 0.000 0.476 787 K N 3.903 124.237 120.400 -0.110 0.000 2.715 787 K HA 0.056 4.375 4.320 -0.001 0.000 0.248 787 K C 1.562 178.109 176.600 -0.088 0.000 1.276 787 K CA 0.217 56.398 56.287 -0.176 0.000 1.209 787 K CB -0.352 31.885 32.500 -0.438 0.000 1.509 787 K HN 0.854 nan 8.250 nan 0.000 0.261 788 S N -0.745 114.941 115.700 -0.023 0.000 2.423 788 S HA -0.109 4.360 4.470 -0.001 0.000 0.231 788 S C 1.487 176.091 174.600 0.007 0.000 1.014 788 S CA 0.632 58.840 58.200 0.013 0.000 0.965 788 S CB 0.085 63.287 63.200 0.003 0.000 0.785 788 S HN 0.259 nan 8.310 nan 0.000 0.495 789 E N 0.935 121.127 120.200 -0.013 0.000 2.299 789 E HA 0.182 4.531 4.350 -0.001 0.000 0.193 789 E C 1.926 178.523 176.600 -0.005 0.000 0.998 789 E CA 0.133 56.530 56.400 -0.004 0.000 0.851 789 E CB -0.602 29.097 29.700 -0.002 0.000 0.795 789 E HN 0.341 nan 8.360 nan 0.000 0.492 790 V N -0.079 119.810 119.914 -0.042 0.000 2.332 790 V HA -0.113 4.007 4.120 -0.001 0.000 0.248 790 V C 0.891 176.989 176.094 0.008 0.000 1.055 790 V CA 1.287 63.553 62.300 -0.056 0.000 1.038 790 V CB 0.101 31.779 31.823 -0.241 0.000 0.651 790 V HN 0.079 nan 8.190 nan 0.000 0.450 791 L N -1.277 119.980 121.223 0.056 0.000 2.327 791 L HA 0.474 4.813 4.340 -0.001 0.000 0.258 791 L C -2.561 174.350 176.870 0.069 0.000 1.024 791 L CA -2.060 52.833 54.840 0.088 0.000 0.825 791 L CB 2.021 44.182 42.059 0.170 0.000 1.386 791 L HN -0.075 nan 8.230 nan 0.000 0.417 792 P HA 0.076 nan 4.420 nan 0.000 0.264 792 P C 0.053 177.364 177.300 0.019 0.000 1.193 792 P CA -0.018 63.100 63.100 0.029 0.000 0.763 792 P CB 0.586 32.301 31.700 0.024 0.000 0.810 793 R N 3.038 123.536 120.500 -0.003 0.000 2.127 793 R HA -0.179 4.160 4.340 -0.001 0.000 0.238 793 R C 0.539 176.800 176.300 -0.064 0.000 1.134 793 R CA 1.936 58.015 56.100 -0.036 0.000 0.975 793 R CB -0.176 30.087 30.300 -0.062 0.000 0.865 793 R HN 0.539 nan 8.270 nan 0.000 0.447 794 D N -0.530 119.840 120.400 -0.051 0.000 2.427 794 D HA 0.008 4.647 4.640 -0.001 0.000 0.224 794 D C -0.338 175.956 176.300 -0.009 0.000 1.157 794 D CA -0.333 53.636 54.000 -0.052 0.000 0.828 794 D CB 0.355 41.121 40.800 -0.057 0.000 0.974 794 D HN 0.117 nan 8.370 nan 0.000 0.498 795 S N -0.984 114.717 115.700 0.002 0.000 2.608 795 S HA 0.333 4.802 4.470 -0.001 0.000 0.291 795 S C 1.127 175.730 174.600 0.006 0.000 1.146 795 S CA -0.971 57.231 58.200 0.004 0.000 1.043 795 S CB 1.903 65.108 63.200 0.010 0.000 1.037 795 S HN 0.139 nan 8.310 nan 0.000 0.520 796 L N 1.385 122.591 121.223 -0.027 0.000 1.944 796 L HA -0.172 4.167 4.340 -0.001 0.000 0.218 796 L C 2.723 179.563 176.870 -0.051 0.000 1.075 796 L CA 2.062 56.862 54.840 -0.068 0.000 0.767 796 L CB -0.571 41.378 42.059 -0.184 0.000 0.890 796 L HN 0.986 nan 8.230 nan 0.000 0.434 797 K N -0.736 119.602 120.400 -0.102 0.000 2.103 797 K HA -0.182 4.138 4.320 -0.001 0.000 0.207 797 K C 1.798 178.225 176.600 -0.290 0.000 1.048 797 K CA 1.491 57.658 56.287 -0.199 0.000 0.930 797 K CB -0.342 32.089 32.500 -0.115 0.000 0.716 797 K HN 0.590 nan 8.250 nan 0.000 0.444 798 G N -0.110 108.648 108.800 -0.070 0.000 2.421 798 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 798 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 798 G C 1.450 176.354 174.900 0.007 0.000 1.143 798 G CA 0.913 46.036 45.100 0.040 0.000 0.784 798 G HN 0.472 nan 8.290 nan 0.000 0.541 799 S N -0.053 115.635 115.700 -0.020 0.000 2.423 799 S HA -0.039 4.430 4.470 -0.001 0.000 0.231 799 S C 1.911 176.474 174.600 -0.061 0.000 1.014 799 S CA 0.908 59.093 58.200 -0.024 0.000 0.965 799 S CB -0.070 63.154 63.200 0.041 0.000 0.785 799 S HN 0.252 nan 8.310 nan 0.000 0.495 800 Q N -0.142 119.583 119.800 -0.125 0.000 2.403 800 Q HA 0.298 4.637 4.340 -0.001 0.000 0.203 800 Q C -0.071 175.818 176.000 -0.185 0.000 0.932 800 Q CA 0.285 55.980 55.803 -0.180 0.000 0.945 800 Q CB -0.262 28.358 28.738 -0.197 0.000 1.045 800 Q HN 0.637 nan 8.270 nan 0.000 0.511 801 F N 0.323 120.260 119.950 -0.022 0.000 2.639 801 F HA 0.232 4.758 4.527 -0.001 0.000 0.302 801 F C 0.651 176.415 175.800 -0.060 0.000 1.097 801 F CA -0.344 57.628 58.000 -0.047 0.000 1.294 801 F CB 0.491 39.462 39.000 -0.047 0.000 1.027 801 F HN -0.151 nan 8.300 nan 0.000 0.550 802 Q N 0.301 120.145 119.800 0.073 0.000 2.248 802 Q HA 0.288 4.627 4.340 -0.001 0.000 0.263 802 Q C -0.205 175.779 176.000 -0.028 0.000 1.007 802 Q CA -0.545 55.261 55.803 0.005 0.000 0.877 802 Q CB 1.453 30.165 28.738 -0.043 0.000 1.315 802 Q HN 0.306 nan 8.270 nan 0.000 0.454 803 E N 3.119 123.296 120.200 -0.040 0.000 2.257 803 E HA 0.176 4.525 4.350 -0.001 0.000 0.278 803 E C -2.109 174.437 176.600 -0.090 0.000 1.049 803 E CA -1.534 54.831 56.400 -0.058 0.000 0.876 803 E CB 0.551 30.222 29.700 -0.048 0.000 1.035 803 E HN 0.179 nan 8.360 nan 0.000 0.419 804 P HA 0.069 nan 4.420 nan 0.000 0.286 804 P C -0.436 176.764 177.300 -0.166 0.000 1.269 804 P CA -0.361 62.640 63.100 -0.165 0.000 0.787 804 P CB 0.956 32.528 31.700 -0.214 0.000 0.920 805 L N 3.303 124.448 121.223 -0.131 0.000 2.791 805 L HA 0.357 4.696 4.340 -0.001 0.000 0.239 805 L C 0.535 177.323 176.870 -0.137 0.000 1.203 805 L CA 0.544 55.330 54.840 -0.090 0.000 1.002 805 L CB -0.613 41.447 42.059 0.002 0.000 1.295 805 L HN 0.448 nan 8.230 nan 0.000 0.504 806 M N 0.773 120.198 119.600 -0.291 0.000 2.164 806 M HA 0.381 4.860 4.480 -0.001 0.000 0.260 806 M C -1.493 174.507 176.300 -0.499 0.000 0.974 806 M CA 0.136 55.134 55.300 -0.502 0.000 1.020 806 M CB 1.464 33.712 32.600 -0.586 0.000 1.903 806 M HN 0.157 nan 8.290 nan 0.000 0.469 807 E N 3.824 123.689 120.200 -0.558 0.000 2.340 807 E HA 0.578 4.928 4.350 -0.001 0.000 0.273 807 E C -1.071 175.093 176.600 -0.727 0.000 0.891 807 E CA -0.722 55.157 56.400 -0.869 0.000 0.757 807 E CB 1.881 30.723 29.700 -1.429 0.000 1.231 807 E HN 0.540 nan 8.360 nan 0.000 0.439 808 F N -0.038 119.862 119.950 -0.082 0.000 2.891 808 F HA -0.248 4.279 4.527 -0.001 0.000 0.272 808 F C 0.536 176.364 175.800 0.047 0.000 1.004 808 F CA 0.404 58.417 58.000 0.022 0.000 0.938 808 F CB -2.623 36.377 39.000 -0.000 0.000 0.939 808 F HN 0.294 nan 8.300 nan 0.000 0.833 809 S N -0.431 115.306 115.700 0.062 0.000 2.681 809 S HA 0.718 5.187 4.470 -0.001 0.000 0.270 809 S C 1.337 176.061 174.600 0.206 0.000 1.209 809 S CA -0.277 57.969 58.200 0.078 0.000 0.988 809 S CB 1.770 64.936 63.200 -0.057 0.000 1.006 809 S HN 0.738 nan 8.310 nan 0.000 0.558 810 G N -0.332 108.612 108.800 0.240 0.000 2.956 810 G HA2 0.420 4.379 3.960 -0.001 0.000 0.207 810 G HA3 0.420 4.379 3.960 -0.001 0.000 0.207 810 G C 0.573 175.627 174.900 0.257 0.000 1.162 810 G CA 0.074 45.323 45.100 0.249 0.000 0.796 810 G HN 1.142 nan 8.290 nan 0.000 0.527 811 A N -0.535 122.386 122.820 0.170 0.000 2.492 811 A HA 0.345 4.664 4.320 -0.001 0.000 0.236 811 A C 0.923 178.612 177.584 0.174 0.000 1.078 811 A CA -0.161 51.894 52.037 0.031 0.000 0.773 811 A CB -0.053 18.609 19.000 -0.563 0.000 1.023 811 A HN 0.357 nan 8.150 nan 0.000 0.504 812 C N 0.631 120.005 119.300 0.123 0.000 2.700 812 C HA 0.331 4.790 4.460 -0.001 0.000 0.397 812 C C 1.272 176.350 174.990 0.148 0.000 1.301 812 C CA -0.448 58.639 59.018 0.115 0.000 2.219 812 C CB -0.094 27.691 27.740 0.076 0.000 2.699 812 C HN 0.808 nan 8.230 nan 0.000 0.669 813 S N 1.221 116.963 115.700 0.069 0.000 2.515 813 S HA 0.395 4.864 4.470 -0.001 0.000 0.285 813 S C 1.150 175.785 174.600 0.059 0.000 1.265 813 S CA 0.836 59.056 58.200 0.035 0.000 1.079 813 S CB 0.017 63.206 63.200 -0.020 0.000 0.877 813 S HN 1.534 nan 8.310 nan 0.000 0.493 814 G N 1.724 110.574 108.800 0.084 0.000 2.141 814 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.242 814 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.242 814 G C 0.425 175.336 174.900 0.018 0.000 0.982 814 G CA -0.209 44.916 45.100 0.041 0.000 0.662 814 G HN 0.962 nan 8.290 nan 0.000 0.527 815 C N 1.222 120.528 119.300 0.011 0.000 2.465 815 C HA 0.432 4.891 4.460 -0.001 0.000 0.402 815 C C 2.261 177.225 174.990 -0.044 0.000 1.448 815 C CA 1.219 60.216 59.018 -0.035 0.000 1.589 815 C CB -0.147 27.515 27.740 -0.130 0.000 2.535 815 C HN 1.132 nan 8.230 nan 0.000 0.600 816 G N 3.372 112.172 108.800 0.001 0.000 2.650 816 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.214 816 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.214 816 G C 1.316 176.306 174.900 0.150 0.000 1.136 816 G CA 0.519 45.646 45.100 0.045 0.000 0.789 816 G HN 0.924 nan 8.290 nan 0.000 0.536 817 E N 0.358 120.624 120.200 0.109 0.000 2.099 817 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 817 E C 2.810 179.491 176.600 0.135 0.000 0.962 817 E CA 1.210 57.739 56.400 0.216 0.000 0.826 817 E CB -0.286 29.601 29.700 0.311 0.000 0.788 817 E HN 0.461 nan 8.360 nan 0.000 0.461 818 T N 0.073 114.491 114.554 -0.227 0.000 2.803 818 T HA -0.095 4.254 4.350 -0.001 0.000 0.269 818 T C -1.048 173.479 174.700 -0.289 0.000 1.052 818 T CA 0.784 62.605 62.100 -0.465 0.000 1.136 818 T CB -1.427 66.924 68.868 -0.862 0.000 0.864 818 T HN -0.022 nan 8.240 nan 0.000 0.467 819 P HA -0.026 nan 4.420 nan 0.000 0.217 819 P C 0.823 177.941 177.300 -0.304 0.000 1.150 819 P CA 0.949 63.863 63.100 -0.311 0.000 0.832 819 P CB -0.216 31.272 31.700 -0.353 0.000 0.787 820 Y N -0.625 119.575 120.300 -0.168 0.000 2.133 820 Y HA -0.149 4.401 4.550 -0.001 0.000 0.287 820 Y C 2.391 178.213 175.900 -0.130 0.000 1.134 820 Y CA 1.231 59.252 58.100 -0.132 0.000 1.133 820 Y CB -1.540 36.979 38.460 0.098 0.000 0.987 820 Y HN -0.190 nan 8.280 nan 0.000 0.502 821 V N 0.161 120.113 119.914 0.063 0.000 2.759 821 V HA -0.186 3.933 4.120 -0.001 0.000 0.256 821 V C 2.215 178.287 176.094 -0.037 0.000 1.080 821 V CA 1.871 64.162 62.300 -0.014 0.000 1.101 821 V CB -0.459 31.493 31.823 0.215 0.000 0.698 821 V HN 0.389 nan 8.190 nan 0.000 0.477 822 R N 0.306 120.720 120.500 -0.142 0.000 2.073 822 R HA -0.051 4.288 4.340 -0.001 0.000 0.229 822 R C 2.324 178.500 176.300 -0.207 0.000 1.120 822 R CA 1.740 57.717 56.100 -0.206 0.000 0.967 822 R CB -0.246 29.883 30.300 -0.285 0.000 0.862 822 R HN 0.631 nan 8.270 nan 0.000 0.436 823 V N -0.539 119.235 119.914 -0.233 0.000 2.871 823 V HA -0.062 4.057 4.120 -0.001 0.000 0.256 823 V C 1.897 177.858 176.094 -0.222 0.000 1.082 823 V CA 1.190 63.327 62.300 -0.273 0.000 1.105 823 V CB -0.258 31.291 31.823 -0.456 0.000 0.713 823 V HN 0.247 nan 8.190 nan 0.000 0.473 824 I N 2.242 122.713 120.570 -0.165 0.000 2.179 824 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 824 I C 2.928 178.952 176.117 -0.154 0.000 1.088 824 I CA 2.151 63.330 61.300 -0.203 0.000 1.357 824 I CB -0.806 36.989 38.000 -0.342 0.000 1.051 824 I HN 0.573 nan 8.210 nan 0.000 0.409 825 T N -1.625 112.877 114.554 -0.087 0.000 2.833 825 T HA -0.248 4.101 4.350 -0.001 0.000 0.269 825 T C 1.738 176.372 174.700 -0.110 0.000 1.054 825 T CA 1.222 63.300 62.100 -0.036 0.000 1.135 825 T CB -0.415 68.464 68.868 0.017 0.000 0.869 825 T HN 0.399 nan 8.240 nan 0.000 0.466 826 Q N -0.147 119.546 119.800 -0.178 0.000 2.369 826 Q HA 0.163 4.502 4.340 -0.001 0.000 0.206 826 Q C 1.762 177.607 176.000 -0.257 0.000 0.963 826 Q CA 0.730 56.419 55.803 -0.190 0.000 0.894 826 Q CB -0.092 28.530 28.738 -0.194 0.000 0.965 826 Q HN 0.429 nan 8.270 nan 0.000 0.475 827 L N -2.311 118.646 121.223 -0.443 0.000 2.388 827 L HA 0.082 4.422 4.340 -0.001 0.000 0.209 827 L C 0.683 177.066 176.870 -0.810 0.000 1.061 827 L CA 1.103 55.474 54.840 -0.782 0.000 0.834 827 L CB 0.435 41.670 42.059 -1.374 0.000 1.029 827 L HN 0.133 nan 8.230 nan 0.000 0.473 828 F N -2.400 117.528 119.950 -0.037 0.000 2.856 828 F HA 0.383 4.909 4.527 -0.001 0.000 0.338 828 F C 2.058 177.860 175.800 0.004 0.000 1.100 828 F CA 0.030 58.039 58.000 0.014 0.000 1.150 828 F CB -1.062 37.980 39.000 0.070 0.000 1.101 828 F HN -0.094 nan 8.300 nan 0.000 0.548 829 G N 1.536 110.397 108.800 0.102 0.000 2.597 829 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.222 829 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.222 829 G C 1.670 176.611 174.900 0.068 0.000 1.135 829 G CA 1.719 46.865 45.100 0.077 0.000 0.759 829 G HN 0.451 nan 8.290 nan 0.000 0.595 830 E N 0.747 120.983 120.200 0.060 0.000 2.347 830 E HA -0.081 4.268 4.350 -0.001 0.000 0.196 830 E C 1.975 178.602 176.600 0.045 0.000 1.008 830 E CA 0.572 56.997 56.400 0.041 0.000 0.852 830 E CB -0.240 29.483 29.700 0.037 0.000 0.783 830 E HN 0.511 nan 8.360 nan 0.000 0.505 831 R N 0.500 121.057 120.500 0.094 0.000 2.437 831 R HA 0.324 4.663 4.340 -0.001 0.000 0.257 831 R C 0.806 177.178 176.300 0.120 0.000 0.927 831 R CA -0.103 56.065 56.100 0.114 0.000 1.078 831 R CB 0.316 30.727 30.300 0.185 0.000 1.161 831 R HN 0.264 nan 8.270 nan 0.000 0.529 832 M N -0.841 118.811 119.600 0.086 0.000 2.423 832 M HA 0.459 4.938 4.480 -0.001 0.000 0.335 832 M C -1.126 175.148 176.300 -0.042 0.000 1.177 832 M CA -0.227 55.145 55.300 0.120 0.000 1.038 832 M CB 1.171 33.878 32.600 0.178 0.000 1.641 832 M HN -0.292 nan 8.290 nan 0.000 0.455 833 F N 2.548 122.511 119.950 0.022 0.000 2.458 833 F HA 0.639 5.165 4.527 -0.001 0.000 0.336 833 F C -0.551 175.153 175.800 -0.160 0.000 1.114 833 F CA -0.508 57.442 58.000 -0.084 0.000 0.987 833 F CB 1.900 40.839 39.000 -0.102 0.000 1.130 833 F HN 0.504 nan 8.300 nan 0.000 0.458 834 I N 3.101 123.575 120.570 -0.160 0.000 2.418 834 I HA 0.482 4.651 4.170 -0.001 0.000 0.287 834 I C -0.562 175.198 176.117 -0.596 0.000 1.008 834 I CA -0.645 60.377 61.300 -0.464 0.000 1.104 834 I CB 1.779 39.333 38.000 -0.743 0.000 1.264 834 I HN 0.656 nan 8.210 nan 0.000 0.438 835 A N 6.160 128.684 122.820 -0.493 0.000 2.444 835 A HA 0.384 4.704 4.320 -0.001 0.000 0.332 835 A C -0.373 176.958 177.584 -0.422 0.000 1.430 835 A CA -0.507 51.242 52.037 -0.480 0.000 0.975 835 A CB -0.027 18.754 19.000 -0.365 0.000 1.147 835 A HN 0.699 nan 8.150 nan 0.000 0.524 836 N N 1.985 120.326 118.700 -0.599 0.000 2.434 836 N HA 0.461 5.200 4.740 -0.001 0.000 0.272 836 N C 0.091 175.402 175.510 -0.331 0.000 1.040 836 N CA 0.116 52.888 53.050 -0.463 0.000 0.956 836 N CB 1.625 39.713 38.487 -0.665 0.000 1.108 836 N HN 0.672 nan 8.380 nan 0.000 0.481 837 A N 2.637 125.244 122.820 -0.356 0.000 2.371 837 A HA 0.284 4.603 4.320 -0.001 0.000 0.257 837 A C 0.436 177.997 177.584 -0.037 0.000 1.089 837 A CA -0.219 51.644 52.037 -0.289 0.000 0.794 837 A CB 0.076 18.663 19.000 -0.689 0.000 1.029 837 A HN 0.634 nan 8.150 nan 0.000 0.488 838 T N 1.145 115.748 114.554 0.082 0.000 2.946 838 T HA 0.495 4.844 4.350 -0.001 0.000 0.311 838 T C 0.765 175.365 174.700 -0.167 0.000 1.063 838 T CA 1.010 63.088 62.100 -0.037 0.000 1.139 838 T CB 0.522 69.342 68.868 -0.079 0.000 0.994 838 T HN 1.766 nan 8.240 nan 0.000 0.547 839 G N 0.142 108.835 108.800 -0.178 0.000 2.350 839 G HA2 0.070 4.029 3.960 -0.001 0.000 0.276 839 G HA3 0.070 4.029 3.960 -0.001 0.000 0.276 839 G C 0.838 175.670 174.900 -0.113 0.000 1.313 839 G CA -0.214 44.780 45.100 -0.178 0.000 0.903 839 G HN 0.670 nan 8.290 nan 0.000 0.490 840 C N -0.117 119.157 119.300 -0.043 0.000 2.401 840 C HA 0.001 4.460 4.460 -0.001 0.000 0.276 840 C C 3.215 178.014 174.990 -0.319 0.000 1.233 840 C CA 2.243 61.260 59.018 -0.002 0.000 1.753 840 C CB -1.043 26.806 27.740 0.182 0.000 2.029 840 C HN 0.766 nan 8.230 nan 0.000 0.478 841 S N 0.532 116.051 115.700 -0.301 0.000 2.374 841 S HA -0.184 4.285 4.470 -0.001 0.000 0.227 841 S C 2.067 176.243 174.600 -0.706 0.000 1.037 841 S CA 2.060 59.879 58.200 -0.635 0.000 1.024 841 S CB -0.254 62.901 63.200 -0.074 0.000 0.861 841 S HN 0.886 nan 8.310 nan 0.000 0.456 842 S N 0.095 115.653 115.700 -0.236 0.000 2.501 842 S HA 0.149 4.618 4.470 -0.001 0.000 0.220 842 S C 1.607 176.145 174.600 -0.102 0.000 0.997 842 S CA 0.038 58.265 58.200 0.044 0.000 0.919 842 S CB -0.194 63.095 63.200 0.149 0.000 0.778 842 S HN 0.334 nan 8.310 nan 0.000 0.523 843 I N 2.190 122.647 120.570 -0.188 0.000 2.333 843 I HA 0.050 4.219 4.170 -0.001 0.000 0.246 843 I C 2.466 178.581 176.117 -0.004 0.000 1.106 843 I CA 0.450 61.705 61.300 -0.075 0.000 1.411 843 I CB -1.576 36.413 38.000 -0.019 0.000 1.082 843 I HN 0.672 nan 8.210 nan 0.000 0.420 844 W N 0.667 122.001 121.300 0.057 0.000 2.737 844 W HA 0.237 4.896 4.660 -0.002 0.000 0.262 844 W C 1.796 178.310 176.519 -0.009 0.000 1.282 844 W CA 0.647 58.010 57.345 0.031 0.000 1.386 844 W CB -1.270 28.209 29.460 0.032 0.000 1.099 844 W HN 0.101 nan 8.180 nan 0.000 0.621 845 G N 1.466 110.123 108.800 -0.239 0.000 2.422 845 G HA2 0.118 4.078 3.960 -0.001 0.000 0.218 845 G HA3 0.118 4.078 3.960 -0.001 0.000 0.218 845 G C 0.959 175.577 174.900 -0.470 0.000 1.140 845 G CA 1.380 46.314 45.100 -0.276 0.000 0.775 845 G HN 0.369 nan 8.290 nan 0.000 0.545 846 A N 0.123 122.706 122.820 -0.395 0.000 3.318 846 A HA 0.519 4.838 4.320 -0.001 0.000 0.209 846 A C 0.171 177.650 177.584 -0.175 0.000 1.102 846 A CA 0.252 52.075 52.037 -0.358 0.000 1.128 846 A CB -0.356 18.258 19.000 -0.644 0.000 1.310 846 A HN 0.713 nan 8.150 nan 0.000 0.726 847 S N 0.902 116.546 115.700 -0.093 0.000 2.430 847 S HA 0.697 5.166 4.470 -0.001 0.000 0.289 847 S C 0.592 175.129 174.600 -0.105 0.000 1.143 847 S CA 0.134 58.294 58.200 -0.066 0.000 1.067 847 S CB 1.232 64.432 63.200 0.001 0.000 0.964 847 S HN 1.786 nan 8.310 nan 0.000 0.485 848 A N 4.794 127.484 122.820 -0.217 0.000 2.586 848 A HA 0.348 4.667 4.320 -0.001 0.000 0.231 848 A C -0.707 176.816 177.584 -0.101 0.000 1.055 848 A CA -0.784 51.045 52.037 -0.346 0.000 0.756 848 A CB -0.367 18.317 19.000 -0.527 0.000 0.988 848 A HN 0.818 nan 8.150 nan 0.000 0.509 849 P HA 0.094 nan 4.420 nan 0.000 0.261 849 P C 0.097 177.486 177.300 0.149 0.000 1.352 849 P CA 0.183 63.316 63.100 0.054 0.000 0.891 849 P CB 0.171 31.996 31.700 0.209 0.000 1.383 850 S N 1.190 116.945 115.700 0.093 0.000 2.452 850 S HA 0.519 4.988 4.470 -0.001 0.000 0.284 850 S C 0.025 174.686 174.600 0.102 0.000 1.171 850 S CA -0.523 57.774 58.200 0.162 0.000 1.064 850 S CB -0.160 63.139 63.200 0.166 0.000 0.967 850 S HN -0.121 nan 8.310 nan 0.000 0.484 851 M N 7.767 127.461 119.600 0.158 0.000 2.006 851 M HA 0.314 4.793 4.480 -0.001 0.000 0.314 851 M C -1.967 174.389 176.300 0.094 0.000 0.926 851 M CA -2.435 52.926 55.300 0.102 0.000 0.906 851 M CB 1.313 34.004 32.600 0.151 0.000 1.422 851 M HN 0.448 nan 8.290 nan 0.000 0.397 852 P HA -0.131 nan 4.420 nan 0.000 0.217 852 P C 0.100 177.307 177.300 -0.155 0.000 1.151 852 P CA 1.191 64.252 63.100 -0.066 0.000 0.828 852 P CB 0.019 31.656 31.700 -0.105 0.000 0.788 853 Y N 1.983 122.241 120.300 -0.071 0.000 2.610 853 Y HA 0.038 4.587 4.550 -0.001 0.000 0.332 853 Y C 1.622 177.496 175.900 -0.043 0.000 1.201 853 Y CA 0.442 58.507 58.100 -0.058 0.000 1.465 853 Y CB 0.227 38.645 38.460 -0.071 0.000 1.283 853 Y HN 0.068 nan 8.280 nan 0.000 0.563 854 K N -0.281 120.158 120.400 0.066 0.000 2.439 854 K HA 0.753 5.072 4.320 -0.001 0.000 0.260 854 K C -0.952 175.667 176.600 0.031 0.000 1.032 854 K CA -1.069 55.234 56.287 0.028 0.000 0.882 854 K CB 1.583 34.058 32.500 -0.043 0.000 1.420 854 K HN 0.505 nan 8.250 nan 0.000 0.455 855 T N -1.109 113.456 114.554 0.017 0.000 2.943 855 T HA 0.304 4.653 4.350 -0.001 0.000 0.284 855 T C 0.141 174.838 174.700 -0.005 0.000 1.015 855 T CA -0.835 61.271 62.100 0.010 0.000 1.042 855 T CB 0.735 69.609 68.868 0.010 0.000 1.055 855 T HN 0.744 nan 8.240 nan 0.000 0.500 856 N N 0.630 119.327 118.700 -0.006 0.000 2.366 856 N HA 0.154 4.893 4.740 -0.001 0.000 0.277 856 N C 1.319 176.823 175.510 -0.009 0.000 1.275 856 N CA -0.979 52.063 53.050 -0.012 0.000 0.964 856 N CB 0.237 38.717 38.487 -0.011 0.000 1.167 856 N HN 0.858 nan 8.380 nan 0.000 0.568 857 R N -1.548 118.945 120.500 -0.011 0.000 2.249 857 R HA -0.036 4.303 4.340 -0.001 0.000 0.230 857 R C 0.208 176.506 176.300 -0.003 0.000 1.121 857 R CA 0.968 57.063 56.100 -0.008 0.000 0.997 857 R CB -0.447 29.846 30.300 -0.012 0.000 0.867 857 R HN 0.338 nan 8.270 nan 0.000 0.465 858 L N 0.712 121.933 121.223 -0.002 0.000 2.741 858 L HA 0.341 4.680 4.340 -0.001 0.000 0.237 858 L C 1.135 178.005 176.870 -0.000 0.000 1.178 858 L CA 0.792 55.633 54.840 0.001 0.000 0.973 858 L CB 0.147 42.208 42.059 0.004 0.000 1.255 858 L HN 0.566 nan 8.230 nan 0.000 0.498 859 G N -0.441 108.359 108.800 -0.000 0.000 2.168 859 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.263 859 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.263 859 G C 0.474 175.370 174.900 -0.006 0.000 0.977 859 G CA 0.299 45.398 45.100 -0.001 0.000 0.659 859 G HN 0.467 nan 8.290 nan 0.000 0.533 860 Q N -0.237 119.561 119.800 -0.005 0.000 2.235 860 Q HA 0.631 4.970 4.340 -0.001 0.000 0.250 860 Q C 0.511 176.509 176.000 -0.003 0.000 0.909 860 Q CA 0.011 55.808 55.803 -0.009 0.000 0.910 860 Q CB 1.950 30.688 28.738 -0.001 0.000 1.223 860 Q HN 0.793 nan 8.270 nan 0.000 0.432 861 G N 1.382 110.177 108.800 -0.009 0.000 2.488 861 G HA2 0.396 4.355 3.960 -0.001 0.000 0.301 861 G HA3 0.396 4.355 3.960 -0.001 0.000 0.301 861 G C -3.096 171.803 174.900 -0.002 0.000 1.339 861 G CA -1.045 44.064 45.100 0.015 0.000 0.803 861 G HN 0.303 nan 8.290 nan 0.000 0.482 862 P HA 0.436 nan 4.420 nan 0.000 0.271 862 P C -0.167 177.100 177.300 -0.055 0.000 1.233 862 P CA 0.169 63.267 63.100 -0.002 0.000 0.764 862 P CB 1.223 32.976 31.700 0.089 0.000 0.825 863 A N 4.247 126.968 122.820 -0.166 0.000 2.410 863 A HA 0.216 4.535 4.320 -0.001 0.000 0.292 863 A C -0.824 176.729 177.584 -0.052 0.000 1.232 863 A CA -0.307 51.639 52.037 -0.151 0.000 0.893 863 A CB -0.565 18.201 19.000 -0.389 0.000 1.131 863 A HN 0.626 nan 8.150 nan 0.000 0.530 864 W N 2.744 123.924 121.300 -0.201 0.000 2.520 864 W HA 0.586 5.245 4.660 -0.001 0.000 0.323 864 W C 0.242 176.700 176.519 -0.101 0.000 1.062 864 W CA 0.138 57.334 57.345 -0.249 0.000 1.215 864 W CB 1.824 31.024 29.460 -0.433 0.000 1.340 864 W HN 0.855 nan 8.180 nan 0.000 0.516 865 G N 3.686 112.227 108.800 -0.432 0.000 2.719 865 G HA2 0.284 4.244 3.960 -0.001 0.000 0.298 865 G HA3 0.284 4.244 3.960 -0.001 0.000 0.298 865 G C -2.104 172.472 174.900 -0.541 0.000 1.411 865 G CA -0.943 44.035 45.100 -0.204 0.000 0.991 865 G HN 0.428 nan 8.290 nan 0.000 0.509 866 N N 0.899 119.447 118.700 -0.253 0.000 2.479 866 N HA 0.460 5.199 4.740 -0.001 0.000 0.261 866 N C 0.606 175.997 175.510 -0.199 0.000 0.979 866 N CA -0.249 52.657 53.050 -0.239 0.000 0.930 866 N CB 2.266 40.738 38.487 -0.026 0.000 1.172 866 N HN 0.301 nan 8.380 nan 0.000 0.499 867 S N 3.291 118.735 115.700 -0.427 0.000 2.356 867 S HA 0.510 4.979 4.470 -0.001 0.000 0.179 867 S C 0.285 174.721 174.600 -0.273 0.000 0.940 867 S CA 0.315 58.129 58.200 -0.642 0.000 0.955 867 S CB -0.136 62.368 63.200 -1.160 0.000 0.861 867 S HN 0.497 nan 8.310 nan 0.000 0.527 868 L N -1.084 120.032 121.223 -0.177 0.000 2.223 868 L HA 0.480 4.819 4.340 -0.001 0.000 0.243 868 L C 0.376 177.311 176.870 0.110 0.000 1.105 868 L CA -0.729 54.097 54.840 -0.023 0.000 0.943 868 L CB 0.666 42.716 42.059 -0.014 0.000 1.542 868 L HN 0.339 nan 8.230 nan 0.000 0.437 869 F N 1.356 121.304 119.950 -0.004 0.000 2.219 869 F HA -0.039 4.487 4.527 -0.001 0.000 0.294 869 F C 2.233 178.152 175.800 0.199 0.000 1.086 869 F CA 1.482 59.521 58.000 0.065 0.000 1.330 869 F CB -0.058 38.985 39.000 0.071 0.000 1.047 869 F HN 0.631 nan 8.300 nan 0.000 0.495 870 E N -0.001 120.230 120.200 0.051 0.000 2.435 870 E HA -0.115 4.234 4.350 -0.001 0.000 0.195 870 E C 0.503 177.170 176.600 0.112 0.000 1.029 870 E CA 1.181 57.563 56.400 -0.030 0.000 0.865 870 E CB -0.661 28.988 29.700 -0.086 0.000 0.833 870 E HN 0.565 nan 8.360 nan 0.000 0.510 871 D N 0.104 120.587 120.400 0.140 0.000 2.469 871 D HA 0.239 4.879 4.640 -0.001 0.000 0.215 871 D C 1.526 177.951 176.300 0.207 0.000 1.154 871 D CA 0.443 54.534 54.000 0.151 0.000 0.832 871 D CB 0.227 41.057 40.800 0.050 0.000 1.008 871 D HN 0.095 nan 8.370 nan 0.000 0.506 872 A N 1.623 124.538 122.820 0.158 0.000 1.909 872 A HA -0.189 4.130 4.320 -0.001 0.000 0.221 872 A C 2.461 180.130 177.584 0.142 0.000 1.223 872 A CA 3.096 55.117 52.037 -0.028 0.000 0.658 872 A CB -1.200 17.395 19.000 -0.676 0.000 0.831 872 A HN 0.422 nan 8.150 nan 0.000 0.462 873 A N 0.314 123.385 122.820 0.417 0.000 1.873 873 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 873 A C 1.950 179.683 177.584 0.249 0.000 1.193 873 A CA 2.113 54.386 52.037 0.394 0.000 0.629 873 A CB -0.627 18.644 19.000 0.453 0.000 0.826 873 A HN 0.752 nan 8.150 nan 0.000 0.447 874 E N -1.461 118.873 120.200 0.224 0.000 2.274 874 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 874 E C 1.855 178.607 176.600 0.253 0.000 0.996 874 E CA 1.221 57.746 56.400 0.209 0.000 0.840 874 E CB -0.645 29.128 29.700 0.122 0.000 0.772 874 E HN 0.698 nan 8.360 nan 0.000 0.491 875 Y N 2.673 123.008 120.300 0.060 0.000 2.200 875 Y HA 0.043 4.592 4.550 -0.002 0.000 0.290 875 Y C 2.442 178.336 175.900 -0.010 0.000 1.137 875 Y CA 1.488 59.589 58.100 0.002 0.000 1.163 875 Y CB -0.750 37.677 38.460 -0.056 0.000 0.988 875 Y HN 0.066 nan 8.280 nan 0.000 0.518 876 G N -1.016 107.772 108.800 -0.020 0.000 2.421 876 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 876 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 876 G C 1.653 176.524 174.900 -0.048 0.000 1.143 876 G CA 0.585 45.605 45.100 -0.133 0.000 0.784 876 G HN 0.460 nan 8.290 nan 0.000 0.541 877 F N 2.517 122.430 119.950 -0.062 0.000 2.216 877 F HA 0.066 4.592 4.527 -0.002 0.000 0.300 877 F C 2.461 178.218 175.800 -0.072 0.000 1.085 877 F CA 1.247 59.213 58.000 -0.056 0.000 1.326 877 F CB -0.303 38.694 39.000 -0.006 0.000 1.027 877 F HN 0.106 nan 8.300 nan 0.000 0.497 878 G N 0.413 109.206 108.800 -0.011 0.000 2.421 878 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 878 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 878 G C 1.665 176.439 174.900 -0.210 0.000 1.171 878 G CA 0.995 46.043 45.100 -0.087 0.000 0.775 878 G HN 0.374 nan 8.290 nan 0.000 0.543 879 M N 0.932 120.367 119.600 -0.275 0.000 2.108 879 M HA -0.122 4.358 4.480 -0.001 0.000 0.261 879 M C 2.430 178.450 176.300 -0.467 0.000 1.066 879 M CA 1.609 56.650 55.300 -0.432 0.000 1.107 879 M CB -0.599 31.642 32.600 -0.599 0.000 1.356 879 M HN 0.392 nan 8.290 nan 0.000 0.406 880 N N 0.952 119.407 118.700 -0.407 0.000 2.142 880 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 880 N C 1.720 177.046 175.510 -0.305 0.000 1.023 880 N CA 1.413 54.252 53.050 -0.351 0.000 0.852 880 N CB -0.091 38.193 38.487 -0.339 0.000 0.998 880 N HN 0.370 nan 8.380 nan 0.000 0.424 881 M N 0.449 119.809 119.600 -0.401 0.000 2.149 881 M HA -0.135 4.344 4.480 -0.001 0.000 0.261 881 M C 2.550 178.804 176.300 -0.077 0.000 1.064 881 M CA 1.384 56.520 55.300 -0.272 0.000 1.102 881 M CB -0.228 32.191 32.600 -0.301 0.000 1.369 881 M HN 0.208 nan 8.290 nan 0.000 0.408 882 S N 0.167 115.792 115.700 -0.125 0.000 2.356 882 S HA -0.145 4.324 4.470 -0.001 0.000 0.223 882 S C 1.917 176.489 174.600 -0.046 0.000 1.032 882 S CA 1.184 59.339 58.200 -0.076 0.000 1.005 882 S CB 0.013 63.144 63.200 -0.114 0.000 0.867 882 S HN 0.314 nan 8.310 nan 0.000 0.449 883 M N 0.382 119.925 119.600 -0.094 0.000 2.159 883 M HA 0.027 4.506 4.480 -0.001 0.000 0.263 883 M C 1.925 178.247 176.300 0.037 0.000 1.063 883 M CA 1.118 56.400 55.300 -0.030 0.000 1.110 883 M CB -1.695 30.867 32.600 -0.064 0.000 1.374 883 M HN 0.508 nan 8.290 nan 0.000 0.411 884 F N 1.259 121.154 119.950 -0.093 0.000 2.075 884 F HA -0.142 4.384 4.527 -0.001 0.000 0.297 884 F C 2.373 178.164 175.800 -0.015 0.000 1.113 884 F CA 1.887 59.851 58.000 -0.060 0.000 1.218 884 F CB -0.495 38.443 39.000 -0.105 0.000 0.984 884 F HN 0.125 nan 8.300 nan 0.000 0.472 885 A N 0.581 123.415 122.820 0.023 0.000 1.877 885 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 885 A C 2.338 179.898 177.584 -0.041 0.000 1.186 885 A CA 1.809 53.820 52.037 -0.043 0.000 0.620 885 A CB -0.704 18.326 19.000 0.049 0.000 0.822 885 A HN 0.480 nan 8.150 nan 0.000 0.443 886 R N -0.843 119.660 120.500 0.006 0.000 2.073 886 R HA -0.006 4.333 4.340 -0.001 0.000 0.229 886 R C 2.430 178.753 176.300 0.037 0.000 1.120 886 R CA 1.298 57.426 56.100 0.048 0.000 0.967 886 R CB -0.253 30.070 30.300 0.038 0.000 0.862 886 R HN 0.470 nan 8.270 nan 0.000 0.436 887 R N -0.276 120.241 120.500 0.028 0.000 2.115 887 R HA -0.007 4.332 4.340 -0.001 0.000 0.226 887 R C 2.098 178.444 176.300 0.077 0.000 1.100 887 R CA 1.374 57.539 56.100 0.108 0.000 0.980 887 R CB -0.286 30.118 30.300 0.172 0.000 0.875 887 R HN 0.131 nan 8.270 nan 0.000 0.445 888 T N -0.069 114.419 114.554 -0.109 0.000 2.833 888 T HA -0.193 4.156 4.350 -0.001 0.000 0.269 888 T C 1.587 176.292 174.700 0.007 0.000 1.054 888 T CA 1.279 63.275 62.100 -0.172 0.000 1.135 888 T CB -0.257 68.321 68.868 -0.483 0.000 0.869 888 T HN 0.466 nan 8.240 nan 0.000 0.466 889 H N -0.076 118.944 119.070 -0.084 0.000 2.395 889 H HA -0.000 4.555 4.556 -0.001 0.000 0.299 889 H C 2.318 177.627 175.328 -0.033 0.000 1.070 889 H CA 0.792 56.809 56.048 -0.052 0.000 1.356 889 H CB -0.039 29.694 29.762 -0.049 0.000 1.401 889 H HN 0.193 nan 8.280 nan 0.000 0.524 890 L N 1.176 122.364 121.223 -0.058 0.000 2.083 890 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 890 L C 2.498 179.335 176.870 -0.056 0.000 1.083 890 L CA 1.881 56.624 54.840 -0.162 0.000 0.752 890 L CB -0.974 40.961 42.059 -0.206 0.000 0.899 890 L HN 0.316 nan 8.230 nan 0.000 0.433 891 A N -0.761 122.141 122.820 0.138 0.000 1.898 891 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 891 A C 1.956 179.611 177.584 0.118 0.000 1.181 891 A CA 1.805 53.996 52.037 0.256 0.000 0.620 891 A CB -0.822 18.332 19.000 0.256 0.000 0.819 891 A HN 0.516 nan 8.150 nan 0.000 0.442 892 D N -0.395 120.055 120.400 0.083 0.000 2.144 892 D HA -0.083 4.556 4.640 -0.001 0.000 0.200 892 D C 1.719 178.051 176.300 0.053 0.000 0.978 892 D CA 0.717 54.757 54.000 0.066 0.000 0.833 892 D CB -0.250 40.596 40.800 0.076 0.000 0.961 892 D HN 0.247 nan 8.370 nan 0.000 0.470 893 L N 0.795 122.040 121.223 0.038 0.000 2.046 893 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 893 L C 2.318 179.177 176.870 -0.020 0.000 1.077 893 L CA 1.279 56.115 54.840 -0.007 0.000 0.747 893 L CB -1.153 40.856 42.059 -0.084 0.000 0.896 893 L HN -0.035 nan 8.230 nan 0.000 0.432 894 A N -0.765 122.043 122.820 -0.022 0.000 1.877 894 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 894 A C 2.415 180.008 177.584 0.015 0.000 1.186 894 A CA 1.751 53.780 52.037 -0.013 0.000 0.620 894 A CB -0.955 18.064 19.000 0.032 0.000 0.822 894 A HN 0.383 nan 8.150 nan 0.000 0.443 895 A N -0.793 122.049 122.820 0.036 0.000 2.125 895 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 895 A C 2.056 179.647 177.584 0.012 0.000 1.156 895 A CA 1.722 53.775 52.037 0.025 0.000 0.671 895 A CB -0.300 18.718 19.000 0.030 0.000 0.794 895 A HN 0.574 nan 8.150 nan 0.000 0.459 896 K N -0.793 119.612 120.400 0.010 0.000 2.128 896 K HA 0.186 4.505 4.320 -0.001 0.000 0.202 896 K C 2.121 178.719 176.600 -0.003 0.000 1.050 896 K CA 0.737 57.027 56.287 0.005 0.000 0.966 896 K CB -0.136 32.369 32.500 0.010 0.000 0.759 896 K HN 0.354 nan 8.250 nan 0.000 0.454 897 A N 1.385 124.199 122.820 -0.009 0.000 2.178 897 A HA -0.055 4.264 4.320 -0.001 0.000 0.218 897 A C 1.695 179.270 177.584 -0.014 0.000 1.157 897 A CA 0.869 52.897 52.037 -0.015 0.000 0.689 897 A CB -0.595 18.389 19.000 -0.026 0.000 0.787 897 A HN 0.178 nan 8.150 nan 0.000 0.465 898 L N -0.706 120.510 121.223 -0.011 0.000 2.711 898 L HA -0.019 4.320 4.340 -0.001 0.000 0.242 898 L C 1.129 177.993 176.870 -0.009 0.000 1.153 898 L CA 0.581 55.414 54.840 -0.011 0.000 0.898 898 L CB -0.287 41.766 42.059 -0.010 0.000 1.044 898 L HN 0.478 nan 8.230 nan 0.000 0.437 899 E N -1.395 118.801 120.200 -0.008 0.000 2.641 899 E HA 0.068 4.417 4.350 -0.001 0.000 0.224 899 E C 0.641 177.238 176.600 -0.006 0.000 0.951 899 E CA -0.131 56.265 56.400 -0.006 0.000 1.102 899 E CB 0.850 30.548 29.700 -0.004 0.000 1.091 899 E HN 0.363 nan 8.360 nan 0.000 0.507 900 S N 0.725 116.421 115.700 -0.008 0.000 2.745 900 S HA 0.106 4.575 4.470 -0.001 0.000 0.292 900 S C 0.722 175.317 174.600 -0.007 0.000 1.127 900 S CA -0.599 57.597 58.200 -0.007 0.000 1.007 900 S CB 0.945 64.140 63.200 -0.009 0.000 1.165 900 S HN 0.086 nan 8.310 nan 0.000 0.544 901 D N 0.010 120.406 120.400 -0.006 0.000 2.344 901 D HA 0.199 4.838 4.640 -0.001 0.000 0.242 901 D C 0.527 176.824 176.300 -0.006 0.000 1.159 901 D CA -0.223 53.774 54.000 -0.005 0.000 0.859 901 D CB -0.852 39.945 40.800 -0.004 0.000 0.925 901 D HN 0.677 nan 8.370 nan 0.000 0.510 902 A N 0.829 123.644 122.820 -0.008 0.000 2.440 902 A HA 0.392 4.711 4.320 -0.001 0.000 0.251 902 A C 0.908 178.488 177.584 -0.007 0.000 1.089 902 A CA -0.201 51.831 52.037 -0.009 0.000 0.779 902 A CB 0.181 19.174 19.000 -0.013 0.000 1.022 902 A HN 0.407 nan 8.150 nan 0.000 0.492 903 S N 2.128 117.825 115.700 -0.005 0.000 2.549 903 S HA 0.174 4.643 4.470 -0.001 0.000 0.278 903 S C 1.387 175.986 174.600 -0.003 0.000 1.344 903 S CA 0.161 58.360 58.200 -0.003 0.000 1.025 903 S CB 0.431 63.631 63.200 0.000 0.000 0.851 903 S HN 1.485 nan 8.310 nan 0.000 0.530 904 G N 0.921 109.720 108.800 -0.001 0.000 2.443 904 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.219 904 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.219 904 G C 1.011 175.913 174.900 0.003 0.000 1.131 904 G CA 0.709 45.809 45.100 -0.001 0.000 0.775 904 G HN 0.777 nan 8.290 nan 0.000 0.547 905 D N 0.375 120.780 120.400 0.008 0.000 2.084 905 D HA -0.098 4.541 4.640 -0.001 0.000 0.194 905 D C 2.816 179.124 176.300 0.013 0.000 0.990 905 D CA 0.802 54.812 54.000 0.016 0.000 0.826 905 D CB -0.482 40.328 40.800 0.018 0.000 0.971 905 D HN 0.157 nan 8.370 nan 0.000 0.453 906 V N 1.073 120.988 119.914 0.003 0.000 2.287 906 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 906 V C 2.312 178.394 176.094 -0.019 0.000 1.053 906 V CA 1.708 64.003 62.300 -0.009 0.000 1.027 906 V CB -0.345 31.470 31.823 -0.013 0.000 0.646 906 V HN 0.196 nan 8.190 nan 0.000 0.447 907 K N -0.490 119.900 120.400 -0.018 0.000 2.148 907 K HA -0.176 4.143 4.320 -0.001 0.000 0.204 907 K C 2.224 178.801 176.600 -0.038 0.000 1.050 907 K CA 1.313 57.584 56.287 -0.026 0.000 0.942 907 K CB -0.104 32.385 32.500 -0.020 0.000 0.724 907 K HN 0.543 nan 8.250 nan 0.000 0.446 908 E N 0.624 120.807 120.200 -0.028 0.000 2.107 908 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 908 E C 1.809 178.357 176.600 -0.087 0.000 0.982 908 E CA 0.787 57.161 56.400 -0.043 0.000 0.809 908 E CB 0.068 29.767 29.700 -0.002 0.000 0.756 908 E HN 0.295 nan 8.360 nan 0.000 0.459 909 A N 0.558 123.365 122.820 -0.022 0.000 2.016 909 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 909 A C 1.968 179.516 177.584 -0.059 0.000 1.162 909 A CA 0.529 52.581 52.037 0.026 0.000 0.662 909 A CB -0.233 18.831 19.000 0.107 0.000 0.812 909 A HN 0.276 nan 8.150 nan 0.000 0.450 910 L N -0.193 120.995 121.223 -0.059 0.000 2.072 910 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 910 L C 2.516 179.368 176.870 -0.030 0.000 1.079 910 L CA 1.896 56.717 54.840 -0.032 0.000 0.752 910 L CB -0.726 41.309 42.059 -0.040 0.000 0.906 910 L HN 0.472 nan 8.230 nan 0.000 0.436 911 Q N -1.377 118.361 119.800 -0.103 0.000 2.167 911 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 911 Q C 2.081 177.925 176.000 -0.260 0.000 0.970 911 Q CA 1.103 56.828 55.803 -0.129 0.000 0.855 911 Q CB -0.398 28.267 28.738 -0.121 0.000 0.911 911 Q HN 0.617 nan 8.270 nan 0.000 0.438 912 G N 0.428 108.916 108.800 -0.520 0.000 2.453 912 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.215 912 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.215 912 G C 0.952 175.517 174.900 -0.558 0.000 1.201 912 G CA 0.546 44.949 45.100 -1.162 0.000 0.784 912 G HN 0.459 nan 8.290 nan 0.000 0.545 913 W N 0.686 121.768 121.300 -0.362 0.000 2.321 913 W HA -0.114 4.545 4.660 -0.001 0.000 0.306 913 W C 2.245 178.709 176.519 -0.092 0.000 1.217 913 W CA 1.124 58.408 57.345 -0.102 0.000 1.257 913 W CB -0.272 29.107 29.460 -0.135 0.000 1.145 913 W HN 0.100 nan 8.180 nan 0.000 0.509 914 L N 0.720 121.942 121.223 -0.002 0.000 2.046 914 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 914 L C 2.584 179.323 176.870 -0.218 0.000 1.077 914 L CA 2.301 57.087 54.840 -0.090 0.000 0.747 914 L CB -1.991 40.082 42.059 0.023 0.000 0.896 914 L HN 0.159 nan 8.230 nan 0.000 0.432 915 A N -0.990 121.712 122.820 -0.197 0.000 1.873 915 A HA -0.006 4.314 4.320 -0.001 0.000 0.215 915 A C 1.885 179.367 177.584 -0.172 0.000 1.186 915 A CA 1.541 53.481 52.037 -0.163 0.000 0.616 915 A CB -0.884 18.030 19.000 -0.143 0.000 0.823 915 A HN 0.436 nan 8.150 nan 0.000 0.442 916 G N -0.288 108.393 108.800 -0.199 0.000 4.098 916 G HA2 0.311 4.270 3.960 -0.001 0.000 0.300 916 G HA3 0.311 4.270 3.960 -0.001 0.000 0.300 916 G C 0.894 175.594 174.900 -0.333 0.000 1.187 916 G CA 0.443 45.441 45.100 -0.170 0.000 0.964 916 G HN 0.675 nan 8.290 nan 0.000 0.559 917 K N -0.352 119.701 120.400 -0.579 0.000 2.152 917 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 917 K C 1.160 177.492 176.600 -0.446 0.000 1.048 917 K CA 1.548 57.282 56.287 -0.920 0.000 0.933 917 K CB -0.172 31.582 32.500 -1.243 0.000 0.721 917 K HN 0.295 nan 8.250 nan 0.000 0.447 918 N N 0.808 119.357 118.700 -0.252 0.000 2.235 918 N HA 0.001 4.740 4.740 -0.001 0.000 0.209 918 N C -0.955 174.515 175.510 -0.067 0.000 1.122 918 N CA -0.267 52.713 53.050 -0.116 0.000 0.845 918 N CB 0.413 38.851 38.487 -0.082 0.000 1.004 918 N HN 0.196 nan 8.380 nan 0.000 0.499 919 D N 0.975 121.327 120.400 -0.080 0.000 2.329 919 D HA 0.136 4.775 4.640 -0.001 0.000 0.232 919 D C -1.599 174.704 176.300 0.006 0.000 1.088 919 D CA -2.580 51.405 54.000 -0.026 0.000 0.835 919 D CB 1.658 42.440 40.800 -0.029 0.000 1.078 919 D HN -0.026 nan 8.370 nan 0.000 0.495 920 P HA -0.115 nan 4.420 nan 0.000 0.219 920 P C 1.633 178.977 177.300 0.074 0.000 1.146 920 P CA 0.870 64.018 63.100 0.080 0.000 0.808 920 P CB 0.670 32.438 31.700 0.114 0.000 0.779 921 I N -0.471 120.131 120.570 0.053 0.000 2.206 921 I HA -0.115 4.054 4.170 -0.001 0.000 0.239 921 I C 2.436 178.564 176.117 0.018 0.000 1.078 921 I CA 1.164 62.485 61.300 0.035 0.000 1.367 921 I CB -0.502 37.514 38.000 0.027 0.000 1.078 921 I HN -0.173 nan 8.210 nan 0.000 0.413 922 K N 1.049 121.465 120.400 0.026 0.000 2.148 922 K HA -0.097 4.223 4.320 -0.001 0.000 0.204 922 K C 2.247 178.919 176.600 0.120 0.000 1.050 922 K CA 1.724 58.050 56.287 0.065 0.000 0.942 922 K CB -0.503 32.063 32.500 0.110 0.000 0.724 922 K HN 0.416 nan 8.250 nan 0.000 0.446 923 S N 0.870 116.598 115.700 0.046 0.000 2.402 923 S HA -0.098 4.371 4.470 -0.001 0.000 0.229 923 S C 2.039 176.798 174.600 0.265 0.000 1.021 923 S CA 1.019 59.252 58.200 0.054 0.000 0.974 923 S CB 0.016 63.218 63.200 0.004 0.000 0.800 923 S HN 0.250 nan 8.310 nan 0.000 0.484 924 K N 1.115 121.616 120.400 0.168 0.000 2.166 924 K HA 0.062 4.381 4.320 -0.001 0.000 0.201 924 K C 2.340 178.985 176.600 0.076 0.000 1.052 924 K CA 0.861 57.240 56.287 0.154 0.000 0.969 924 K CB -0.182 32.381 32.500 0.106 0.000 0.761 924 K HN 0.534 nan 8.250 nan 0.000 0.459 925 E N -0.506 119.676 120.200 -0.030 0.000 2.085 925 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 925 E C 1.342 177.778 176.600 -0.274 0.000 0.994 925 E CA 1.402 57.679 56.400 -0.205 0.000 0.801 925 E CB 0.026 29.497 29.700 -0.380 0.000 0.743 925 E HN 0.349 nan 8.360 nan 0.000 0.453 926 Y N -0.853 119.494 120.300 0.079 0.000 2.436 926 Y HA 0.200 4.749 4.550 -0.001 0.000 0.288 926 Y C 2.311 178.238 175.900 0.046 0.000 1.112 926 Y CA 0.788 58.933 58.100 0.074 0.000 1.220 926 Y CB -0.474 38.047 38.460 0.102 0.000 1.073 926 Y HN 0.117 nan 8.280 nan 0.000 0.552 927 G N -0.052 108.901 108.800 0.255 0.000 2.422 927 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 927 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 927 G C 1.174 176.154 174.900 0.134 0.000 1.146 927 G CA 1.328 46.472 45.100 0.074 0.000 0.769 927 G HN 0.264 nan 8.290 nan 0.000 0.547 928 D N 0.474 120.954 120.400 0.135 0.000 2.194 928 D HA 0.004 4.643 4.640 -0.001 0.000 0.204 928 D C 2.417 178.760 176.300 0.073 0.000 0.964 928 D CA 0.636 54.702 54.000 0.111 0.000 0.846 928 D CB -0.079 40.763 40.800 0.069 0.000 0.962 928 D HN 0.285 nan 8.370 nan 0.000 0.490 929 K N 0.180 120.612 120.400 0.053 0.000 2.026 929 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 929 K C 1.901 178.524 176.600 0.039 0.000 1.048 929 K CA 0.431 56.749 56.287 0.051 0.000 0.929 929 K CB -0.112 32.440 32.500 0.087 0.000 0.713 929 K HN 0.000 nan 8.250 nan 0.000 0.439 930 L N 1.952 123.170 121.223 -0.008 0.000 2.187 930 L HA -0.168 4.171 4.340 -0.001 0.000 0.213 930 L C 1.774 178.688 176.870 0.074 0.000 1.100 930 L CA 1.714 56.510 54.840 -0.073 0.000 0.765 930 L CB -0.357 41.445 42.059 -0.429 0.000 0.904 930 L HN 0.083 nan 8.230 nan 0.000 0.437 931 K N -1.023 119.474 120.400 0.163 0.000 2.097 931 K HA -0.163 4.156 4.320 -0.001 0.000 0.205 931 K C 2.074 178.728 176.600 0.089 0.000 1.050 931 K CA 1.199 57.599 56.287 0.187 0.000 0.938 931 K CB 0.016 32.617 32.500 0.170 0.000 0.718 931 K HN 0.273 nan 8.250 nan 0.000 0.442 932 K N 0.764 121.202 120.400 0.064 0.000 2.021 932 K HA 0.002 4.321 4.320 -0.001 0.000 0.205 932 K C 2.033 178.651 176.600 0.030 0.000 1.047 932 K CA 0.897 57.208 56.287 0.039 0.000 0.943 932 K CB -0.044 32.476 32.500 0.033 0.000 0.725 932 K HN 0.007 nan 8.250 nan 0.000 0.439 933 L N 0.993 122.232 121.223 0.028 0.000 2.191 933 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 933 L C 1.760 178.640 176.870 0.015 0.000 1.103 933 L CA 0.925 55.776 54.840 0.018 0.000 0.769 933 L CB -0.234 41.834 42.059 0.014 0.000 0.908 933 L HN 0.194 nan 8.230 nan 0.000 0.438 934 L N -0.533 120.704 121.223 0.024 0.000 2.667 934 L HA 0.285 4.624 4.340 -0.001 0.000 0.232 934 L C 1.133 178.014 176.870 0.019 0.000 1.138 934 L CA -0.621 54.231 54.840 0.021 0.000 0.921 934 L CB -0.201 41.877 42.059 0.033 0.000 1.180 934 L HN 0.058 nan 8.230 nan 0.000 0.487 935 A N 0.320 123.152 122.820 0.020 0.000 2.540 935 A HA 0.375 4.694 4.320 -0.001 0.000 0.239 935 A C 1.515 179.102 177.584 0.004 0.000 1.061 935 A CA 0.840 52.885 52.037 0.012 0.000 0.758 935 A CB -0.132 18.876 19.000 0.013 0.000 0.991 935 A HN 0.605 nan 8.150 nan 0.000 0.502 936 G N 0.565 109.364 108.800 -0.001 0.000 2.212 936 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.266 936 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.266 936 G C 0.435 175.332 174.900 -0.006 0.000 0.978 936 G CA 0.860 45.957 45.100 -0.004 0.000 0.632 936 G HN 1.230 nan 8.290 nan 0.000 0.537 937 Q N 0.378 120.175 119.800 -0.005 0.000 2.286 937 Q HA 0.573 4.912 4.340 -0.001 0.000 0.267 937 Q C 1.170 177.163 176.000 -0.012 0.000 1.028 937 Q CA 0.281 56.080 55.803 -0.007 0.000 0.901 937 Q CB 0.777 29.511 28.738 -0.006 0.000 1.183 937 Q HN 0.170 nan 8.270 nan 0.000 0.392 938 K N 2.152 122.544 120.400 -0.012 0.000 2.464 938 K HA 0.268 4.587 4.320 -0.001 0.000 0.206 938 K C -0.695 175.896 176.600 -0.014 0.000 1.186 938 K CA 0.239 56.518 56.287 -0.014 0.000 0.990 938 K CB 0.738 33.231 32.500 -0.012 0.000 1.003 938 K HN 0.599 nan 8.250 nan 0.000 0.562 939 D N 0.571 120.964 120.400 -0.012 0.000 2.350 939 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 939 D C 0.498 176.791 176.300 -0.012 0.000 1.036 939 D CA 0.132 54.126 54.000 -0.011 0.000 0.848 939 D CB 2.084 42.880 40.800 -0.008 0.000 1.307 939 D HN 0.158 nan 8.370 nan 0.000 0.469 940 G N 0.525 109.318 108.800 -0.011 0.000 2.760 940 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.246 940 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.246 940 G C 0.930 175.820 174.900 -0.016 0.000 1.359 940 G CA -0.418 44.676 45.100 -0.011 0.000 0.861 940 G HN 0.513 nan 8.290 nan 0.000 0.541 941 L N -0.892 120.322 121.223 -0.015 0.000 2.103 941 L HA -0.207 4.132 4.340 -0.001 0.000 0.215 941 L C 2.968 179.817 176.870 -0.034 0.000 1.080 941 L CA 1.886 56.713 54.840 -0.022 0.000 0.764 941 L CB -0.398 41.651 42.059 -0.017 0.000 0.890 941 L HN 0.508 nan 8.230 nan 0.000 0.435 942 L N -0.880 120.327 121.223 -0.028 0.000 2.240 942 L HA -0.015 4.324 4.340 -0.001 0.000 0.211 942 L C 2.430 179.284 176.870 -0.027 0.000 1.106 942 L CA 1.703 56.526 54.840 -0.028 0.000 0.793 942 L CB -1.033 41.014 42.059 -0.020 0.000 0.927 942 L HN 0.137 nan 8.230 nan 0.000 0.446 943 G N -1.806 106.978 108.800 -0.026 0.000 2.430 943 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.216 943 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.216 943 G C 1.467 176.343 174.900 -0.041 0.000 1.146 943 G CA 0.190 45.273 45.100 -0.027 0.000 0.793 943 G HN 0.393 nan 8.290 nan 0.000 0.537 944 Q N -0.185 119.587 119.800 -0.048 0.000 2.049 944 Q HA 0.105 4.444 4.340 -0.001 0.000 0.198 944 Q C 2.525 178.466 176.000 -0.098 0.000 0.971 944 Q CA 0.743 56.503 55.803 -0.072 0.000 0.833 944 Q CB -0.146 28.548 28.738 -0.073 0.000 0.896 944 Q HN 0.459 nan 8.270 nan 0.000 0.434 945 I N 0.898 121.418 120.570 -0.084 0.000 2.264 945 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 945 I C 2.347 178.446 176.117 -0.029 0.000 1.111 945 I CA 0.954 62.209 61.300 -0.076 0.000 1.382 945 I CB -0.322 37.637 38.000 -0.069 0.000 1.060 945 I HN 0.183 nan 8.210 nan 0.000 0.418 946 A N 0.582 123.386 122.820 -0.026 0.000 1.930 946 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 946 A C 2.409 179.935 177.584 -0.097 0.000 1.175 946 A CA 1.502 53.527 52.037 -0.020 0.000 0.627 946 A CB -0.633 18.359 19.000 -0.013 0.000 0.815 946 A HN 0.416 nan 8.150 nan 0.000 0.443 947 A N -1.208 121.550 122.820 -0.102 0.000 2.239 947 A HA 0.224 4.543 4.320 -0.001 0.000 0.209 947 A C 1.655 179.133 177.584 -0.175 0.000 1.171 947 A CA 0.943 52.909 52.037 -0.119 0.000 0.768 947 A CB -0.529 18.420 19.000 -0.086 0.000 0.790 947 A HN 0.505 nan 8.150 nan 0.000 0.478 948 M N -0.169 119.288 119.600 -0.238 0.000 2.475 948 M HA 0.025 4.504 4.480 -0.001 0.000 0.283 948 M C 1.667 177.590 176.300 -0.628 0.000 1.165 948 M CA 0.447 55.563 55.300 -0.306 0.000 0.976 948 M CB 0.326 32.784 32.600 -0.236 0.000 1.428 948 M HN 0.495 nan 8.290 nan 0.000 0.495 949 S N 0.327 115.521 115.700 -0.844 0.000 2.419 949 S HA -0.179 4.290 4.470 -0.001 0.000 0.235 949 S C 1.369 175.520 174.600 -0.748 0.000 1.019 949 S CA 1.648 58.982 58.200 -1.443 0.000 0.982 949 S CB -0.577 62.170 63.200 -0.754 0.000 0.789 949 S HN 0.620 nan 8.310 nan 0.000 0.490 950 D N 1.432 121.603 120.400 -0.382 0.000 2.392 950 D HA -0.032 4.608 4.640 -0.001 0.000 0.228 950 D C 1.350 177.598 176.300 -0.086 0.000 1.003 950 D CA 0.425 54.320 54.000 -0.175 0.000 0.917 950 D CB -0.454 40.282 40.800 -0.107 0.000 0.890 950 D HN 0.521 nan 8.370 nan 0.000 0.532 951 L N -1.286 119.859 121.223 -0.131 0.000 2.701 951 L HA 0.131 4.470 4.340 -0.001 0.000 0.238 951 L C 1.428 178.434 176.870 0.226 0.000 1.106 951 L CA -0.339 54.527 54.840 0.043 0.000 0.898 951 L CB -0.070 41.997 42.059 0.014 0.000 1.188 951 L HN -0.141 nan 8.230 nan 0.000 0.508 952 Y N 0.884 121.228 120.300 0.073 0.000 2.030 952 Y HA -0.193 4.356 4.550 -0.001 0.000 0.274 952 Y C 2.081 178.275 175.900 0.490 0.000 1.153 952 Y CA 0.796 59.022 58.100 0.211 0.000 1.115 952 Y CB -1.253 37.237 38.460 0.051 0.000 0.969 952 Y HN 0.090 nan 8.280 nan 0.000 0.488 953 T N 1.897 116.722 114.554 0.452 0.000 2.901 953 T HA 0.056 4.405 4.350 -0.001 0.000 0.301 953 T C 0.102 174.963 174.700 0.268 0.000 1.012 953 T CA -0.874 61.423 62.100 0.328 0.000 1.135 953 T CB 0.456 69.460 68.868 0.226 0.000 0.936 953 T HN 0.091 nan 8.240 nan 0.000 0.539 954 K N 3.947 124.471 120.400 0.206 0.000 2.472 954 K HA 0.042 4.361 4.320 -0.001 0.000 0.280 954 K C 0.334 177.038 176.600 0.172 0.000 1.028 954 K CA -0.140 56.243 56.287 0.161 0.000 1.045 954 K CB 0.354 32.908 32.500 0.090 0.000 0.902 954 K HN 0.588 nan 8.250 nan 0.000 0.478 955 K N 1.377 121.895 120.400 0.196 0.000 2.117 955 K HA 0.118 4.437 4.320 -0.001 0.000 0.240 955 K C -0.015 176.707 176.600 0.203 0.000 1.031 955 K CA -0.348 56.088 56.287 0.248 0.000 0.909 955 K CB 1.028 33.779 32.500 0.419 0.000 1.097 955 K HN 0.500 nan 8.250 nan 0.000 0.492 956 S N 0.595 116.449 115.700 0.256 0.000 2.746 956 S HA 0.263 4.732 4.470 -0.001 0.000 0.273 956 S C -1.093 173.675 174.600 0.282 0.000 1.172 956 S CA -0.739 57.581 58.200 0.200 0.000 1.116 956 S CB 0.399 63.751 63.200 0.252 0.000 1.057 956 S HN 0.225 nan 8.310 nan 0.000 0.483 957 V N 5.861 125.823 119.914 0.080 0.000 2.389 957 V HA 0.394 4.513 4.120 -0.001 0.000 0.264 957 V C -0.491 175.534 176.094 -0.114 0.000 1.049 957 V CA -0.240 62.078 62.300 0.030 0.000 0.932 957 V CB -0.212 31.540 31.823 -0.118 0.000 1.011 957 V HN 0.807 nan 8.190 nan 0.000 0.475 958 W N 4.793 126.068 121.300 -0.042 0.000 2.627 958 W HA 0.744 5.404 4.660 -0.001 0.000 0.339 958 W C -0.271 176.184 176.519 -0.107 0.000 1.058 958 W CA -0.620 56.715 57.345 -0.017 0.000 1.223 958 W CB 1.445 30.896 29.460 -0.015 0.000 1.389 958 W HN 0.318 nan 8.180 nan 0.000 0.541 959 I N 3.776 124.494 120.570 0.246 0.000 2.439 959 I HA 0.289 4.458 4.170 -0.001 0.000 0.285 959 I C -1.046 175.319 176.117 0.413 0.000 1.021 959 I CA -0.804 60.568 61.300 0.121 0.000 1.091 959 I CB 0.799 38.877 38.000 0.130 0.000 1.242 959 I HN 0.047 nan 8.210 nan 0.000 0.439 960 F N 3.470 123.431 119.950 0.017 0.000 2.458 960 F HA 0.867 5.393 4.527 -0.002 0.000 0.330 960 F C 0.685 176.382 175.800 -0.171 0.000 1.082 960 F CA -1.522 56.553 58.000 0.125 0.000 0.995 960 F CB 2.002 41.128 39.000 0.210 0.000 1.170 960 F HN 0.434 nan 8.300 nan 0.000 0.478 961 G N 0.067 108.972 108.800 0.176 0.000 2.579 961 G HA2 0.518 4.478 3.960 -0.001 0.000 0.292 961 G HA3 0.518 4.478 3.960 -0.001 0.000 0.292 961 G C -0.870 174.251 174.900 0.369 0.000 1.484 961 G CA -0.283 44.884 45.100 0.112 0.000 0.813 961 G HN 0.883 nan 8.290 nan 0.000 0.515 962 G N -0.917 108.123 108.800 0.401 0.000 2.525 962 G HA2 0.471 4.430 3.960 -0.001 0.000 0.287 962 G HA3 0.471 4.430 3.960 -0.001 0.000 0.287 962 G C 0.874 176.030 174.900 0.427 0.000 1.350 962 G CA 0.573 45.872 45.100 0.333 0.000 1.039 962 G HN 0.695 nan 8.290 nan 0.000 0.513 963 D N -0.873 119.707 120.400 0.299 0.000 2.149 963 D HA -0.079 4.560 4.640 -0.001 0.000 0.201 963 D C 2.196 178.693 176.300 0.328 0.000 0.972 963 D CA 1.218 55.375 54.000 0.261 0.000 0.835 963 D CB -0.736 40.030 40.800 -0.056 0.000 0.966 963 D HN 0.471 nan 8.370 nan 0.000 0.476 964 G N 0.307 109.347 108.800 0.400 0.000 2.422 964 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.218 964 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.218 964 G C 1.387 176.500 174.900 0.355 0.000 1.146 964 G CA 0.725 46.120 45.100 0.491 0.000 0.769 964 G HN 0.421 nan 8.290 nan 0.000 0.547 965 W N 1.742 123.212 121.300 0.284 0.000 2.378 965 W HA 0.151 4.811 4.660 -0.001 0.000 0.313 965 W C 2.608 179.208 176.519 0.135 0.000 1.197 965 W CA 2.158 59.567 57.345 0.106 0.000 1.304 965 W CB -0.339 29.268 29.460 0.244 0.000 1.148 965 W HN 0.210 nan 8.180 nan 0.000 0.494 966 A N -1.023 121.668 122.820 -0.216 0.000 1.929 966 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 966 A C 1.740 179.191 177.584 -0.221 0.000 1.176 966 A CA 1.555 53.284 52.037 -0.513 0.000 0.628 966 A CB -1.178 17.770 19.000 -0.088 0.000 0.816 966 A HN 0.487 nan 8.150 nan 0.000 0.444 967 Y N -0.040 120.150 120.300 -0.183 0.000 2.476 967 Y HA 0.065 4.614 4.550 -0.001 0.000 0.283 967 Y C 1.571 177.378 175.900 -0.156 0.000 1.109 967 Y CA 0.568 58.533 58.100 -0.226 0.000 1.246 967 Y CB 0.122 38.522 38.460 -0.099 0.000 1.068 967 Y HN 0.308 nan 8.280 nan 0.000 0.552 968 D N -0.910 119.571 120.400 0.135 0.000 3.066 968 D HA 0.030 4.669 4.640 -0.001 0.000 0.225 968 D C 2.087 178.388 176.300 0.001 0.000 1.397 968 D CA -0.131 53.947 54.000 0.130 0.000 1.344 968 D CB -0.759 40.224 40.800 0.305 0.000 0.934 968 D HN 0.038 nan 8.370 nan 0.000 0.202 969 I N 1.127 121.636 120.570 -0.101 0.000 2.185 969 I HA -0.198 3.971 4.170 -0.001 0.000 0.246 969 I C 1.635 177.564 176.117 -0.314 0.000 1.088 969 I CA 1.886 63.002 61.300 -0.307 0.000 1.347 969 I CB 0.008 37.641 38.000 -0.612 0.000 1.041 969 I HN 0.156 nan 8.210 nan 0.000 0.415 970 G N -1.853 106.696 108.800 -0.419 0.000 3.233 970 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.234 970 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.234 970 G C 1.059 175.700 174.900 -0.432 0.000 1.137 970 G CA -0.234 44.620 45.100 -0.409 0.000 0.763 970 G HN 0.381 nan 8.290 nan 0.000 0.549 971 Y N 2.107 122.138 120.300 -0.449 0.000 2.165 971 Y HA -0.120 4.429 4.550 -0.002 0.000 0.286 971 Y C 2.454 178.220 175.900 -0.223 0.000 1.155 971 Y CA 1.627 59.516 58.100 -0.352 0.000 1.164 971 Y CB -0.511 37.804 38.460 -0.243 0.000 0.978 971 Y HN 0.116 nan 8.280 nan 0.000 0.513 972 G N -0.764 107.758 108.800 -0.463 0.000 2.418 972 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 972 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 972 G C 1.936 176.645 174.900 -0.318 0.000 1.158 972 G CA 0.764 45.590 45.100 -0.457 0.000 0.771 972 G HN 0.616 nan 8.290 nan 0.000 0.545 973 G N 0.623 109.294 108.800 -0.216 0.000 2.408 973 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.217 973 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.217 973 G C 1.720 176.576 174.900 -0.073 0.000 1.150 973 G CA 1.026 46.060 45.100 -0.110 0.000 0.776 973 G HN 0.405 nan 8.290 nan 0.000 0.542 974 L N 1.168 122.318 121.223 -0.123 0.000 2.005 974 L HA 0.007 4.347 4.340 -0.001 0.000 0.207 974 L C 2.272 179.069 176.870 -0.122 0.000 1.072 974 L CA 2.739 57.532 54.840 -0.077 0.000 0.744 974 L CB -0.899 41.026 42.059 -0.223 0.000 0.895 974 L HN 0.292 nan 8.230 nan 0.000 0.433 975 D N -1.732 118.523 120.400 -0.241 0.000 2.133 975 D HA -0.315 4.324 4.640 -0.001 0.000 0.195 975 D C 2.252 178.455 176.300 -0.163 0.000 0.997 975 D CA 1.689 55.560 54.000 -0.214 0.000 0.840 975 D CB -0.223 40.311 40.800 -0.442 0.000 0.947 975 D HN 0.582 nan 8.370 nan 0.000 0.452 976 H N -0.516 118.406 119.070 -0.247 0.000 2.389 976 H HA -0.046 4.510 4.556 -0.001 0.000 0.299 976 H C 2.071 177.214 175.328 -0.308 0.000 1.081 976 H CA 1.281 57.185 56.048 -0.241 0.000 1.345 976 H CB 0.092 29.716 29.762 -0.231 0.000 1.393 976 H HN 0.118 nan 8.280 nan 0.000 0.520 977 V N 1.255 121.039 119.914 -0.217 0.000 2.427 977 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 977 V C 2.804 178.768 176.094 -0.218 0.000 1.051 977 V CA 1.196 63.307 62.300 -0.314 0.000 1.048 977 V CB -0.414 31.327 31.823 -0.136 0.000 0.666 977 V HN 0.333 nan 8.190 nan 0.000 0.456 978 L N 0.016 121.119 121.223 -0.199 0.000 2.179 978 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 978 L C 2.596 179.257 176.870 -0.349 0.000 1.096 978 L CA 1.251 55.968 54.840 -0.205 0.000 0.779 978 L CB -0.706 41.232 42.059 -0.202 0.000 0.922 978 L HN 0.338 nan 8.230 nan 0.000 0.443 979 A N 0.091 122.590 122.820 -0.535 0.000 2.119 979 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 979 A C 2.459 179.948 177.584 -0.159 0.000 1.153 979 A CA 1.393 53.098 52.037 -0.554 0.000 0.692 979 A CB -0.446 18.248 19.000 -0.510 0.000 0.799 979 A HN 0.504 nan 8.150 nan 0.000 0.458 980 S N -1.541 114.019 115.700 -0.235 0.000 2.453 980 S HA 0.256 4.725 4.470 -0.001 0.000 0.231 980 S C 1.664 176.218 174.600 -0.077 0.000 1.005 980 S CA 1.315 59.401 58.200 -0.189 0.000 0.949 980 S CB -0.544 62.521 63.200 -0.226 0.000 0.774 980 S HN 1.868 nan 8.310 nan 0.000 0.510 981 G N 0.609 109.423 108.800 0.023 0.000 2.179 981 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 981 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 981 G C -0.155 174.772 174.900 0.046 0.000 0.977 981 G CA 0.325 45.441 45.100 0.026 0.000 0.641 981 G HN 0.628 nan 8.290 nan 0.000 0.533 982 E N 0.483 120.727 120.200 0.074 0.000 2.373 982 E HA 0.316 4.665 4.350 -0.001 0.000 0.263 982 E C -0.370 176.254 176.600 0.041 0.000 1.073 982 E CA -0.433 56.002 56.400 0.057 0.000 0.894 982 E CB 0.594 30.379 29.700 0.142 0.000 1.008 982 E HN 0.131 nan 8.360 nan 0.000 0.420 983 D N 2.658 123.045 120.400 -0.022 0.000 2.455 983 D HA 0.089 4.728 4.640 -0.001 0.000 0.234 983 D C -1.118 175.141 176.300 -0.068 0.000 1.224 983 D CA -0.125 53.849 54.000 -0.044 0.000 0.999 983 D CB -0.299 40.459 40.800 -0.070 0.000 1.072 983 D HN 0.198 nan 8.370 nan 0.000 0.514 984 V N 0.791 120.673 119.914 -0.053 0.000 2.962 984 V HA 0.672 4.791 4.120 -0.001 0.000 0.313 984 V C -0.724 175.249 176.094 -0.202 0.000 1.099 984 V CA -1.078 61.154 62.300 -0.114 0.000 0.971 984 V CB 2.369 34.189 31.823 -0.005 0.000 1.028 984 V HN 0.273 nan 8.190 nan 0.000 0.430 985 N N 1.953 120.398 118.700 -0.425 0.000 2.399 985 N HA 0.527 5.266 4.740 -0.001 0.000 0.280 985 N C -0.970 174.360 175.510 -0.299 0.000 1.008 985 N CA -0.265 52.408 53.050 -0.628 0.000 0.894 985 N CB 2.408 39.864 38.487 -1.719 0.000 1.273 985 N HN 0.941 nan 8.380 nan 0.000 0.486 986 V N 2.013 121.948 119.914 0.035 0.000 2.398 986 V HA 0.597 4.716 4.120 -0.001 0.000 0.286 986 V C -1.214 175.200 176.094 0.533 0.000 1.026 986 V CA -0.626 61.875 62.300 0.336 0.000 0.868 986 V CB 0.934 32.992 31.823 0.391 0.000 0.982 986 V HN 0.498 nan 8.190 nan 0.000 0.443 987 F N 6.682 126.970 119.950 0.563 0.000 2.375 987 F HA 0.690 5.216 4.527 -0.002 0.000 0.361 987 F C -0.402 175.608 175.800 0.350 0.000 1.117 987 F CA -0.704 57.586 58.000 0.483 0.000 1.037 987 F CB 1.585 40.880 39.000 0.491 0.000 1.192 987 F HN 0.442 nan 8.300 nan 0.000 0.452 988 V N 7.758 127.564 119.914 -0.180 0.000 2.333 988 V HA 0.265 4.384 4.120 -0.001 0.000 0.274 988 V C 0.075 175.937 176.094 -0.387 0.000 1.028 988 V CA -0.552 61.717 62.300 -0.050 0.000 0.851 988 V CB 1.029 32.971 31.823 0.199 0.000 1.000 988 V HN 0.693 nan 8.190 nan 0.000 0.456 989 M N 4.453 123.878 119.600 -0.292 0.000 2.108 989 M HA 0.275 4.754 4.480 -0.001 0.000 0.347 989 M C -0.061 176.189 176.300 -0.083 0.000 1.326 989 M CA 0.137 55.266 55.300 -0.285 0.000 1.126 989 M CB 0.305 32.860 32.600 -0.076 0.000 1.606 989 M HN 0.475 nan 8.290 nan 0.000 0.462 990 D N 2.227 122.562 120.400 -0.108 0.000 2.428 990 D HA 0.138 4.778 4.640 -0.001 0.000 0.221 990 D C 0.783 176.962 176.300 -0.202 0.000 1.123 990 D CA -0.069 53.913 54.000 -0.030 0.000 0.869 990 D CB 0.973 41.907 40.800 0.224 0.000 1.032 990 D HN 0.695 nan 8.370 nan 0.000 0.506 991 T N -0.042 114.440 114.554 -0.120 0.000 3.081 991 T HA 0.069 4.419 4.350 -0.001 0.000 0.250 991 T C 0.566 175.203 174.700 -0.106 0.000 1.100 991 T CA -0.214 61.794 62.100 -0.154 0.000 1.038 991 T CB -0.214 68.625 68.868 -0.049 0.000 0.962 991 T HN 0.577 nan 8.240 nan 0.000 0.516 992 E N -0.348 119.814 120.200 -0.063 0.000 2.513 992 E HA -0.114 4.235 4.350 -0.001 0.000 0.257 992 E C -0.585 175.994 176.600 -0.035 0.000 1.098 992 E CA 0.203 56.585 56.400 -0.030 0.000 0.752 992 E CB -1.904 27.844 29.700 0.080 0.000 1.324 992 E HN 0.480 nan 8.360 nan 0.000 0.403 993 V N -0.329 119.581 119.914 -0.006 0.000 3.265 993 V HA 0.159 4.278 4.120 -0.001 0.000 0.275 993 V C -1.739 174.457 176.094 0.170 0.000 1.684 993 V CA -0.958 61.345 62.300 0.006 0.000 1.032 993 V CB 1.452 33.255 31.823 -0.033 0.000 1.250 993 V HN 0.136 nan 8.190 nan 0.000 0.468 994 Y N 2.607 122.915 120.300 0.013 0.000 2.585 994 Y HA 0.363 4.912 4.550 -0.002 0.000 0.354 994 Y C 1.457 177.355 175.900 -0.004 0.000 1.024 994 Y CA 0.118 58.233 58.100 0.025 0.000 1.321 994 Y CB 0.838 39.303 38.460 0.008 0.000 1.151 994 Y HN 0.664 nan 8.280 nan 0.000 0.525 995 S N 2.524 118.313 115.700 0.148 0.000 2.335 995 S HA -0.186 4.283 4.470 -0.001 0.000 0.217 995 S C 2.108 176.740 174.600 0.052 0.000 1.032 995 S CA 1.193 59.441 58.200 0.080 0.000 0.985 995 S CB -0.131 63.115 63.200 0.077 0.000 0.896 995 S HN 0.835 nan 8.310 nan 0.000 0.445 996 N N 2.115 120.834 118.700 0.031 0.000 2.137 996 N HA -0.168 4.571 4.740 -0.001 0.000 0.190 996 N C 1.342 176.839 175.510 -0.022 0.000 1.017 996 N CA 2.085 55.135 53.050 -0.001 0.000 0.859 996 N CB -1.015 37.450 38.487 -0.036 0.000 1.002 996 N HN 0.533 nan 8.380 nan 0.000 0.428 997 T N -4.648 109.892 114.554 -0.024 0.000 3.148 997 T HA 0.405 4.754 4.350 -0.001 0.000 0.253 997 T C 1.216 175.918 174.700 0.004 0.000 1.134 997 T CA 0.351 62.438 62.100 -0.021 0.000 1.051 997 T CB -0.160 68.689 68.868 -0.032 0.000 0.959 997 T HN 0.493 nan 8.240 nan 0.000 0.525 998 G N 0.343 109.148 108.800 0.008 0.000 2.186 998 G HA2 0.317 4.276 3.960 -0.001 0.000 0.130 998 G HA3 0.317 4.276 3.960 -0.001 0.000 0.130 998 G C 0.682 175.569 174.900 -0.021 0.000 1.031 998 G CA -0.165 44.927 45.100 -0.013 0.000 0.697 998 G HN 1.515 nan 8.290 nan 0.000 0.494 999 G N -1.206 107.595 108.800 0.002 0.000 2.256 999 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.272 999 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.272 999 G C 0.135 174.999 174.900 -0.060 0.000 1.076 999 G CA 0.908 45.990 45.100 -0.030 0.000 0.882 999 G HN 1.093 nan 8.290 nan 0.000 0.497 1000 Q N 0.125 119.909 119.800 -0.027 0.000 2.259 1000 Q HA 0.633 4.972 4.340 -0.001 0.000 0.246 1000 Q C 0.840 176.653 176.000 -0.312 0.000 0.920 1000 Q CA 0.029 55.783 55.803 -0.082 0.000 0.895 1000 Q CB 1.362 30.126 28.738 0.044 0.000 1.220 1000 Q HN 0.323 nan 8.270 nan 0.000 0.439 1001 S N 0.944 116.517 115.700 -0.210 0.000 2.558 1001 S HA 0.202 4.671 4.470 -0.001 0.000 0.288 1001 S C -0.217 174.083 174.600 -0.500 0.000 1.318 1001 S CA -0.038 58.017 58.200 -0.242 0.000 1.056 1001 S CB 0.220 63.377 63.200 -0.071 0.000 0.853 1001 S HN 0.567 nan 8.310 nan 0.000 0.505 1002 S N 2.301 117.808 115.700 -0.321 0.000 2.677 1002 S HA 0.475 4.944 4.470 -0.001 0.000 0.304 1002 S C 0.538 175.089 174.600 -0.083 0.000 1.108 1002 S CA -0.777 57.292 58.200 -0.218 0.000 0.944 1002 S CB 1.410 64.560 63.200 -0.083 0.000 1.127 1002 S HN 0.766 nan 8.310 nan 0.000 0.511 1003 K N 0.828 121.227 120.400 -0.002 0.000 2.432 1003 K HA 0.262 4.581 4.320 -0.001 0.000 0.196 1003 K C 1.469 178.046 176.600 -0.039 0.000 1.038 1003 K CA 0.912 57.213 56.287 0.023 0.000 0.986 1003 K CB -0.241 32.313 32.500 0.091 0.000 0.782 1003 K HN 0.597 nan 8.250 nan 0.000 0.485 1004 A N 0.078 122.719 122.820 -0.299 0.000 2.218 1004 A HA 0.060 4.379 4.320 -0.001 0.000 0.209 1004 A C 0.497 177.979 177.584 -0.171 0.000 1.168 1004 A CA 0.260 51.951 52.037 -0.575 0.000 0.804 1004 A CB -0.015 18.201 19.000 -1.306 0.000 0.834 1004 A HN 0.136 nan 8.150 nan 0.000 0.482 1005 T N 3.573 118.075 114.554 -0.087 0.000 2.870 1005 T HA 0.348 4.697 4.350 -0.001 0.000 0.300 1005 T C -2.369 172.376 174.700 0.075 0.000 0.989 1005 T CA -0.654 61.447 62.100 0.001 0.000 1.139 1005 T CB 1.062 69.911 68.868 -0.032 0.000 0.920 1005 T HN 0.277 nan 8.240 nan 0.000 0.537 1006 P HA 0.172 nan 4.420 nan 0.000 0.278 1006 P C -0.311 177.127 177.300 0.230 0.000 1.258 1006 P CA -0.543 62.694 63.100 0.227 0.000 0.811 1006 P CB 0.394 32.333 31.700 0.397 0.000 1.063 1007 T N 1.110 115.784 114.554 0.200 0.000 2.905 1007 T HA 0.256 4.606 4.350 -0.001 0.000 0.299 1007 T C 1.440 176.302 174.700 0.269 0.000 1.024 1007 T CA 2.008 64.217 62.100 0.180 0.000 1.151 1007 T CB -0.820 68.137 68.868 0.148 0.000 0.987 1007 T HN 0.825 nan 8.240 nan 0.000 0.535 1008 G N 2.157 111.090 108.800 0.222 0.000 2.199 1008 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.254 1008 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.254 1008 G C 0.279 175.355 174.900 0.293 0.000 0.982 1008 G CA -0.007 45.258 45.100 0.274 0.000 0.632 1008 G HN 1.189 nan 8.290 nan 0.000 0.529 1009 A N 0.070 123.008 122.820 0.197 0.000 2.363 1009 A HA 0.698 5.017 4.320 -0.001 0.000 0.270 1009 A C 0.457 177.968 177.584 -0.121 0.000 1.121 1009 A CA 0.182 52.114 52.037 -0.176 0.000 0.800 1009 A CB 1.130 19.993 19.000 -0.229 0.000 1.052 1009 A HN 1.101 nan 8.150 nan 0.000 0.493 1010 V N 1.736 121.538 119.914 -0.186 0.000 2.465 1010 V HA 0.668 4.787 4.120 -0.001 0.000 0.279 1010 V C 0.606 176.618 176.094 -0.136 0.000 1.045 1010 V CA 0.805 63.041 62.300 -0.107 0.000 0.938 1010 V CB 0.548 32.327 31.823 -0.073 0.000 0.986 1010 V HN 1.406 nan 8.190 nan 0.000 0.467 1011 A N 5.091 127.843 122.820 -0.112 0.000 2.511 1011 A HA 0.726 5.045 4.320 -0.001 0.000 0.293 1011 A C -1.226 176.260 177.584 -0.164 0.000 1.098 1011 A CA -0.985 50.973 52.037 -0.132 0.000 0.643 1011 A CB 1.156 20.083 19.000 -0.123 0.000 1.302 1011 A HN 0.499 nan 8.150 nan 0.000 0.446 1012 K N 0.115 120.384 120.400 -0.219 0.000 2.401 1012 K HA 0.433 4.752 4.320 -0.001 0.000 0.278 1012 K C -0.487 175.905 176.600 -0.347 0.000 1.018 1012 K CA 0.211 56.236 56.287 -0.437 0.000 0.981 1012 K CB -0.646 31.546 32.500 -0.513 0.000 0.933 1012 K HN 0.945 nan 8.250 nan 0.000 0.477 1013 F N -1.177 118.726 119.950 -0.078 0.000 2.748 1013 F HA -0.295 4.231 4.527 -0.001 0.000 0.370 1013 F C 0.613 176.380 175.800 -0.054 0.000 0.620 1013 F CA 1.047 59.010 58.000 -0.061 0.000 1.233 1013 F CB -1.986 36.972 39.000 -0.070 0.000 1.708 1013 F HN 0.618 nan 8.300 nan 0.000 0.298 1014 A N -0.809 122.011 122.820 0.000 0.000 2.897 1014 A HA 0.813 5.132 4.320 -0.001 0.000 0.230 1014 A C 1.103 178.667 177.584 -0.033 0.000 0.896 1014 A CA 0.260 52.296 52.037 -0.001 0.000 1.114 1014 A CB -0.355 18.641 19.000 -0.006 0.000 1.230 1014 A HN 0.727 nan 8.150 nan 0.000 0.481 1015 A N -0.508 122.281 122.820 -0.052 0.000 2.248 1015 A HA 0.405 4.724 4.320 -0.001 0.000 0.210 1015 A C 1.471 179.064 177.584 0.015 0.000 1.174 1015 A CA 1.455 53.466 52.037 -0.042 0.000 0.750 1015 A CB -0.136 18.821 19.000 -0.072 0.000 0.780 1015 A HN 1.498 nan 8.150 nan 0.000 0.478 1016 A N -1.052 121.759 122.820 -0.013 0.000 2.610 1016 A HA 0.543 4.862 4.320 -0.001 0.000 0.291 1016 A C 0.850 178.445 177.584 0.017 0.000 1.116 1016 A CA 0.480 52.491 52.037 -0.043 0.000 0.963 1016 A CB -0.672 18.183 19.000 -0.241 0.000 1.220 1016 A HN 1.954 nan 8.150 nan 0.000 0.530 1017 G N 0.257 109.081 108.800 0.039 0.000 3.039 1017 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.686 1017 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.686 1017 G C -0.424 174.503 174.900 0.045 0.000 1.066 1017 G CA -0.298 44.837 45.100 0.058 0.000 0.774 1017 G HN 0.803 nan 8.290 nan 0.000 0.591 1018 K N 1.286 121.716 120.400 0.050 0.000 2.472 1018 K HA 0.269 4.588 4.320 -0.001 0.000 0.280 1018 K C 1.253 177.889 176.600 0.060 0.000 1.028 1018 K CA 0.187 56.502 56.287 0.048 0.000 1.045 1018 K CB 0.337 32.870 32.500 0.055 0.000 0.902 1018 K HN 0.411 nan 8.250 nan 0.000 0.478 1019 R N 2.444 122.971 120.500 0.045 0.000 2.427 1019 R HA 0.096 4.436 4.340 -0.001 0.000 0.262 1019 R C -0.257 176.068 176.300 0.041 0.000 0.943 1019 R CA 0.100 56.226 56.100 0.043 0.000 1.081 1019 R CB -0.131 30.186 30.300 0.028 0.000 1.166 1019 R HN 0.812 nan 8.270 nan 0.000 0.534 1020 T N -3.014 111.567 114.554 0.044 0.000 2.893 1020 T HA 0.670 5.019 4.350 -0.001 0.000 0.291 1020 T C 0.571 175.301 174.700 0.049 0.000 1.028 1020 T CA -0.745 61.379 62.100 0.039 0.000 0.995 1020 T CB 2.750 71.635 68.868 0.029 0.000 1.051 1020 T HN 0.082 nan 8.240 nan 0.000 0.470 1021 G N 0.807 109.635 108.800 0.046 0.000 2.683 1021 G HA2 0.367 4.326 3.960 -0.001 0.000 0.260 1021 G HA3 0.367 4.326 3.960 -0.001 0.000 0.260 1021 G C -0.354 174.575 174.900 0.049 0.000 1.238 1021 G CA -0.858 44.273 45.100 0.052 0.000 0.934 1021 G HN 0.961 nan 8.290 nan 0.000 0.534 1022 K N 0.126 120.558 120.400 0.052 0.000 2.368 1022 K HA 0.117 4.436 4.320 -0.001 0.000 0.282 1022 K C 0.525 177.163 176.600 0.064 0.000 1.035 1022 K CA -0.372 55.951 56.287 0.060 0.000 0.973 1022 K CB 0.451 32.990 32.500 0.064 0.000 0.957 1022 K HN 0.443 nan 8.250 nan 0.000 0.474 1023 K N 3.396 123.858 120.400 0.104 0.000 2.448 1023 K HA -0.083 4.236 4.320 -0.001 0.000 0.278 1023 K C -0.478 176.170 176.600 0.080 0.000 1.009 1023 K CA 0.006 56.341 56.287 0.079 0.000 0.995 1023 K CB 0.520 33.083 32.500 0.105 0.000 0.917 1023 K HN 0.494 nan 8.250 nan 0.000 0.481 1024 D N 5.427 125.805 120.400 -0.036 0.000 2.522 1024 D HA 0.014 4.653 4.640 -0.001 0.000 0.218 1024 D C 0.896 177.094 176.300 -0.170 0.000 1.149 1024 D CA -0.210 53.744 54.000 -0.076 0.000 0.981 1024 D CB 0.461 41.201 40.800 -0.100 0.000 1.041 1024 D HN 0.533 nan 8.370 nan 0.000 0.518 1025 L N 4.088 125.141 121.223 -0.283 0.000 2.046 1025 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 1025 L C 2.051 178.777 176.870 -0.241 0.000 1.077 1025 L CA 2.132 56.701 54.840 -0.451 0.000 0.747 1025 L CB -0.616 40.872 42.059 -0.952 0.000 0.896 1025 L HN 0.309 nan 8.230 nan 0.000 0.432 1026 A N -0.223 122.510 122.820 -0.146 0.000 1.859 1026 A HA -0.300 4.019 4.320 -0.001 0.000 0.217 1026 A C 2.524 180.056 177.584 -0.087 0.000 1.198 1026 A CA 2.266 54.285 52.037 -0.030 0.000 0.629 1026 A CB -0.723 18.377 19.000 0.167 0.000 0.830 1026 A HN 0.490 nan 8.150 nan 0.000 0.446 1027 R N -1.466 118.952 120.500 -0.137 0.000 2.115 1027 R HA 0.032 4.371 4.340 -0.001 0.000 0.230 1027 R C 2.296 178.465 176.300 -0.219 0.000 1.111 1027 R CA 1.452 57.420 56.100 -0.219 0.000 0.976 1027 R CB -0.287 29.869 30.300 -0.239 0.000 0.870 1027 R HN 0.622 nan 8.270 nan 0.000 0.445 1028 M N -0.630 118.861 119.600 -0.182 0.000 2.086 1028 M HA -0.158 4.321 4.480 -0.001 0.000 0.261 1028 M C 2.237 178.430 176.300 -0.178 0.000 1.067 1028 M CA 1.589 56.788 55.300 -0.169 0.000 1.116 1028 M CB -0.126 32.398 32.600 -0.126 0.000 1.348 1028 M HN 0.173 nan 8.290 nan 0.000 0.407 1029 V N -0.888 118.956 119.914 -0.117 0.000 2.871 1029 V HA -0.112 4.007 4.120 -0.001 0.000 0.256 1029 V C 1.797 177.798 176.094 -0.155 0.000 1.082 1029 V CA 1.238 63.519 62.300 -0.031 0.000 1.105 1029 V CB -0.439 31.419 31.823 0.060 0.000 0.713 1029 V HN 0.466 nan 8.190 nan 0.000 0.473 1030 M N 1.525 120.948 119.600 -0.296 0.000 2.460 1030 M HA -0.081 4.398 4.480 -0.001 0.000 0.263 1030 M C 2.099 178.085 176.300 -0.524 0.000 1.071 1030 M CA 1.859 56.824 55.300 -0.558 0.000 1.096 1030 M CB -0.488 31.744 32.600 -0.613 0.000 1.408 1030 M HN 0.745 nan 8.290 nan 0.000 0.463 1031 T N -2.670 111.643 114.554 -0.401 0.000 3.051 1031 T HA -0.136 4.213 4.350 -0.001 0.000 0.269 1031 T C 1.350 175.807 174.700 -0.406 0.000 1.127 1031 T CA 0.818 62.693 62.100 -0.375 0.000 1.107 1031 T CB -0.480 68.159 68.868 -0.382 0.000 0.898 1031 T HN 0.300 nan 8.240 nan 0.000 0.517 1032 Y N 2.168 122.263 120.300 -0.341 0.000 2.200 1032 Y HA 0.223 4.772 4.550 -0.001 0.000 0.290 1032 Y C 2.595 178.289 175.900 -0.344 0.000 1.137 1032 Y CA 0.787 58.611 58.100 -0.459 0.000 1.163 1032 Y CB -0.787 37.209 38.460 -0.775 0.000 0.988 1032 Y HN 0.447 nan 8.280 nan 0.000 0.518 1033 G N -0.986 107.755 108.800 -0.098 0.000 2.320 1033 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.242 1033 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.242 1033 G C 0.753 175.824 174.900 0.286 0.000 1.033 1033 G CA 0.592 45.791 45.100 0.165 0.000 0.620 1033 G HN 0.570 nan 8.290 nan 0.000 0.517 1034 Y N 0.004 120.449 120.300 0.241 0.000 2.607 1034 Y HA 0.764 5.313 4.550 -0.002 0.000 0.266 1034 Y C 0.215 176.193 175.900 0.130 0.000 1.178 1034 Y CA -0.870 57.368 58.100 0.230 0.000 1.226 1034 Y CB 0.009 38.711 38.460 0.403 0.000 1.144 1034 Y HN 0.232 nan 8.280 nan 0.000 0.528 1035 V N 1.724 121.619 119.914 -0.031 0.000 2.448 1035 V HA 0.188 4.307 4.120 -0.001 0.000 0.295 1035 V C -0.957 175.012 176.094 -0.208 0.000 1.025 1035 V CA -1.261 60.990 62.300 -0.082 0.000 0.859 1035 V CB 1.247 32.989 31.823 -0.136 0.000 0.988 1035 V HN 0.289 nan 8.190 nan 0.000 0.431 1036 Y N 5.206 125.169 120.300 -0.563 0.000 2.377 1036 Y HA 0.520 5.069 4.550 -0.001 0.000 0.330 1036 Y C -0.265 175.546 175.900 -0.149 0.000 1.108 1036 Y CA 0.160 57.964 58.100 -0.493 0.000 1.308 1036 Y CB 1.029 39.059 38.460 -0.716 0.000 1.216 1036 Y HN 0.405 nan 8.280 nan 0.000 0.518 1037 V N 5.691 125.395 119.914 -0.350 0.000 2.638 1037 V HA 0.894 5.013 4.120 -0.001 0.000 0.306 1037 V C -0.623 175.375 176.094 -0.160 0.000 1.052 1037 V CA -0.457 61.773 62.300 -0.118 0.000 0.885 1037 V CB 1.153 32.947 31.823 -0.048 0.000 0.999 1037 V HN 0.969 nan 8.190 nan 0.000 0.424 1038 A N 2.871 125.693 122.820 0.003 0.000 2.606 1038 A HA 0.980 5.299 4.320 -0.001 0.000 0.293 1038 A C -0.439 177.117 177.584 -0.047 0.000 1.082 1038 A CA -0.369 51.653 52.037 -0.024 0.000 0.685 1038 A CB 2.289 21.354 19.000 0.109 0.000 1.284 1038 A HN 1.009 nan 8.150 nan 0.000 0.408 1039 T N -1.046 113.350 114.554 -0.264 0.000 2.848 1039 T HA 0.758 5.107 4.350 -0.001 0.000 0.285 1039 T C -0.195 174.545 174.700 0.068 0.000 0.995 1039 T CA -0.128 61.855 62.100 -0.196 0.000 0.970 1039 T CB 0.739 69.158 68.868 -0.749 0.000 0.976 1039 T HN 2.030 nan 8.240 nan 0.000 0.441 1040 V N -1.012 119.110 119.914 0.348 0.000 3.126 1040 V HA 1.002 5.121 4.120 -0.001 0.000 0.314 1040 V C -0.417 175.960 176.094 0.472 0.000 1.138 1040 V CA -0.953 61.610 62.300 0.438 0.000 1.034 1040 V CB 1.795 33.990 31.823 0.620 0.000 1.075 1040 V HN 1.154 nan 8.190 nan 0.000 0.442 1041 S N 1.552 117.500 115.700 0.414 0.000 2.545 1041 S HA 0.315 4.784 4.470 -0.001 0.000 0.259 1041 S C 0.268 175.037 174.600 0.282 0.000 1.092 1041 S CA -0.089 58.306 58.200 0.325 0.000 1.054 1041 S CB 1.215 64.525 63.200 0.185 0.000 1.146 1041 S HN 1.021 nan 8.310 nan 0.000 0.447 1042 M N 4.011 123.700 119.600 0.149 0.000 2.082 1042 M HA -0.049 4.430 4.480 -0.001 0.000 0.258 1042 M C 1.932 178.265 176.300 0.055 0.000 1.069 1042 M CA 2.639 57.933 55.300 -0.011 0.000 1.102 1042 M CB -0.699 31.669 32.600 -0.387 0.000 1.336 1042 M HN 0.821 nan 8.290 nan 0.000 0.404 1043 G N -1.612 107.227 108.800 0.064 0.000 2.470 1043 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.220 1043 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.220 1043 G C 1.160 176.120 174.900 0.101 0.000 1.121 1043 G CA 0.843 45.982 45.100 0.065 0.000 0.766 1043 G HN 0.625 nan 8.290 nan 0.000 0.553 1044 Y N 0.391 120.709 120.300 0.031 0.000 2.262 1044 Y HA 0.394 4.943 4.550 -0.001 0.000 0.295 1044 Y C 0.901 176.825 175.900 0.041 0.000 1.121 1044 Y CA 0.963 59.084 58.100 0.036 0.000 1.144 1044 Y CB 0.574 39.069 38.460 0.058 0.000 1.043 1044 Y HN 0.118 nan 8.280 nan 0.000 0.528 1045 S N 0.051 115.841 115.700 0.150 0.000 2.706 1045 S HA 0.285 4.754 4.470 -0.001 0.000 0.270 1045 S C -0.165 174.514 174.600 0.131 0.000 1.163 1045 S CA -0.794 57.438 58.200 0.053 0.000 1.042 1045 S CB 0.871 64.155 63.200 0.140 0.000 1.079 1045 S HN 0.356 nan 8.310 nan 0.000 0.474 1046 K N 2.282 122.671 120.400 -0.018 0.000 2.167 1046 K HA -0.054 4.265 4.320 -0.001 0.000 0.203 1046 K C 1.882 178.517 176.600 0.058 0.000 1.052 1046 K CA 0.805 57.056 56.287 -0.060 0.000 0.956 1046 K CB 0.003 32.118 32.500 -0.642 0.000 0.735 1046 K HN 0.642 nan 8.250 nan 0.000 0.451 1047 Q N 1.025 120.828 119.800 0.005 0.000 2.230 1047 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 1047 Q C 1.955 178.028 176.000 0.121 0.000 0.963 1047 Q CA 1.044 56.873 55.803 0.043 0.000 0.866 1047 Q CB -0.271 28.467 28.738 -0.000 0.000 0.931 1047 Q HN 0.319 nan 8.270 nan 0.000 0.452 1048 Q N 0.341 120.250 119.800 0.180 0.000 2.172 1048 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 1048 Q C 1.750 177.936 176.000 0.310 0.000 0.964 1048 Q CA 0.785 56.724 55.803 0.226 0.000 0.855 1048 Q CB -0.131 28.766 28.738 0.265 0.000 0.918 1048 Q HN 0.383 nan 8.270 nan 0.000 0.444 1049 F N 0.996 121.084 119.950 0.231 0.000 2.186 1049 F HA -0.124 4.402 4.527 -0.002 0.000 0.299 1049 F C 1.731 177.702 175.800 0.285 0.000 1.090 1049 F CA 1.108 59.292 58.000 0.306 0.000 1.307 1049 F CB -0.302 38.920 39.000 0.370 0.000 1.019 1049 F HN 0.039 nan 8.300 nan 0.000 0.489 1050 L N 0.096 121.296 121.223 -0.039 0.000 2.240 1050 L HA -0.096 4.243 4.340 -0.001 0.000 0.211 1050 L C 2.473 179.333 176.870 -0.017 0.000 1.106 1050 L CA 1.244 55.996 54.840 -0.147 0.000 0.793 1050 L CB -0.675 41.373 42.059 -0.018 0.000 0.927 1050 L HN 0.080 nan 8.230 nan 0.000 0.446 1051 K N 0.185 120.625 120.400 0.067 0.000 2.057 1051 K HA -0.121 4.198 4.320 -0.001 0.000 0.206 1051 K C 2.043 178.731 176.600 0.146 0.000 1.050 1051 K CA 1.113 57.461 56.287 0.102 0.000 0.935 1051 K CB -0.001 32.568 32.500 0.115 0.000 0.715 1051 K HN 0.009 nan 8.250 nan 0.000 0.439 1052 V N 1.755 121.787 119.914 0.197 0.000 2.295 1052 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 1052 V C 2.320 178.564 176.094 0.251 0.000 1.049 1052 V CA 1.687 64.166 62.300 0.299 0.000 1.024 1052 V CB -0.327 31.725 31.823 0.382 0.000 0.648 1052 V HN 0.355 nan 8.190 nan 0.000 0.447 1053 L N -0.188 121.140 121.223 0.174 0.000 2.017 1053 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 1053 L C 2.665 179.754 176.870 0.366 0.000 1.073 1053 L CA 2.011 57.014 54.840 0.273 0.000 0.745 1053 L CB -0.723 41.370 42.059 0.057 0.000 0.894 1053 L HN 0.328 nan 8.230 nan 0.000 0.432 1054 K N 0.678 121.221 120.400 0.239 0.000 2.097 1054 K HA -0.188 4.131 4.320 -0.001 0.000 0.205 1054 K C 1.753 178.426 176.600 0.122 0.000 1.050 1054 K CA 1.520 57.948 56.287 0.235 0.000 0.938 1054 K CB 0.059 32.638 32.500 0.132 0.000 0.718 1054 K HN 0.406 nan 8.250 nan 0.000 0.442 1055 E N -0.338 119.883 120.200 0.035 0.000 2.285 1055 E HA -0.072 4.277 4.350 -0.001 0.000 0.194 1055 E C 1.777 178.038 176.600 -0.565 0.000 0.997 1055 E CA 0.621 56.940 56.400 -0.136 0.000 0.845 1055 E CB 0.136 29.833 29.700 -0.005 0.000 0.782 1055 E HN 0.379 nan 8.360 nan 0.000 0.491 1056 A N 1.406 123.912 122.820 -0.523 0.000 1.878 1056 A HA -0.124 4.195 4.320 -0.001 0.000 0.213 1056 A C 2.117 179.550 177.584 -0.251 0.000 1.192 1056 A CA 0.727 52.411 52.037 -0.588 0.000 0.619 1056 A CB -0.155 18.765 19.000 -0.134 0.000 0.837 1056 A HN 0.045 nan 8.150 nan 0.000 0.446 1057 E N 0.901 121.027 120.200 -0.125 0.000 2.110 1057 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 1057 E C 2.257 178.796 176.600 -0.102 0.000 0.988 1057 E CA 1.697 57.975 56.400 -0.203 0.000 0.804 1057 E CB -0.146 29.301 29.700 -0.422 0.000 0.745 1057 E HN 0.662 nan 8.360 nan 0.000 0.458 1058 S N -0.204 115.484 115.700 -0.020 0.000 2.461 1058 S HA -0.076 4.394 4.470 -0.001 0.000 0.228 1058 S C 0.926 175.537 174.600 0.018 0.000 1.005 1058 S CA -0.349 57.860 58.200 0.016 0.000 0.942 1058 S CB -0.558 62.676 63.200 0.056 0.000 0.776 1058 S HN 0.214 nan 8.310 nan 0.000 0.514 1059 F N 6.072 125.932 119.950 -0.151 0.000 2.590 1059 F HA 0.257 4.783 4.527 -0.002 0.000 0.389 1059 F C -2.057 173.719 175.800 -0.039 0.000 1.049 1059 F CA -2.618 55.319 58.000 -0.104 0.000 1.199 1059 F CB 0.512 39.401 39.000 -0.186 0.000 1.058 1059 F HN 0.054 nan 8.300 nan 0.000 0.556 1060 P HA 0.191 nan 4.420 nan 0.000 0.238 1060 P C -0.076 176.884 177.300 -0.566 0.000 1.714 1060 P CA 0.489 63.327 63.100 -0.436 0.000 0.908 1060 P CB -0.307 31.233 31.700 -0.267 0.000 1.893 1061 G N 0.509 109.003 108.800 -0.509 0.000 2.489 1061 G HA2 0.441 4.400 3.960 -0.001 0.000 0.305 1061 G HA3 0.441 4.400 3.960 -0.001 0.000 0.305 1061 G C -3.577 171.503 174.900 0.299 0.000 1.311 1061 G CA -1.109 43.949 45.100 -0.071 0.000 0.813 1061 G HN -0.203 nan 8.290 nan 0.000 0.480 1062 P HA 0.433 nan 4.420 nan 0.000 0.276 1062 P C -0.598 176.828 177.300 0.211 0.000 1.230 1062 P CA 0.026 63.250 63.100 0.206 0.000 0.776 1062 P CB 1.469 33.249 31.700 0.134 0.000 0.888 1063 S N 2.488 118.251 115.700 0.105 0.000 2.532 1063 S HA 0.623 5.092 4.470 -0.001 0.000 0.301 1063 S C -0.798 173.878 174.600 0.127 0.000 1.083 1063 S CA -0.701 57.571 58.200 0.120 0.000 1.025 1063 S CB 0.750 63.960 63.200 0.016 0.000 1.056 1063 S HN 0.363 nan 8.310 nan 0.000 0.494 1064 L N 3.277 124.615 121.223 0.191 0.000 2.404 1064 L HA 0.632 4.971 4.340 -0.001 0.000 0.272 1064 L C -1.715 175.301 176.870 0.245 0.000 0.980 1064 L CA -0.538 54.412 54.840 0.183 0.000 0.836 1064 L CB 1.411 43.532 42.059 0.104 0.000 1.238 1064 L HN 0.435 nan 8.230 nan 0.000 0.408 1065 V N 5.992 126.096 119.914 0.316 0.000 2.487 1065 V HA 0.506 4.626 4.120 -0.001 0.000 0.298 1065 V C -0.084 176.148 176.094 0.229 0.000 1.028 1065 V CA -0.389 62.134 62.300 0.371 0.000 0.860 1065 V CB 2.144 34.348 31.823 0.635 0.000 0.991 1065 V HN 0.534 nan 8.190 nan 0.000 0.427 1066 I N 4.031 124.702 120.570 0.168 0.000 2.406 1066 I HA 0.800 4.969 4.170 -0.001 0.000 0.290 1066 I C 0.167 176.405 176.117 0.201 0.000 0.999 1066 I CA -0.538 60.841 61.300 0.132 0.000 1.124 1066 I CB 1.930 40.058 38.000 0.214 0.000 1.289 1066 I HN 0.673 nan 8.210 nan 0.000 0.441 1067 A N 5.294 128.087 122.820 -0.045 0.000 2.365 1067 A HA 0.514 4.833 4.320 -0.001 0.000 0.318 1067 A C -1.337 176.113 177.584 -0.223 0.000 1.091 1067 A CA -0.473 51.473 52.037 -0.153 0.000 0.763 1067 A CB 0.914 19.405 19.000 -0.849 0.000 1.248 1067 A HN 0.636 nan 8.150 nan 0.000 0.442 1068 Y N 2.251 122.259 120.300 -0.486 0.000 2.531 1068 Y HA 0.410 4.959 4.550 -0.002 0.000 0.347 1068 Y C 0.448 176.172 175.900 -0.293 0.000 1.024 1068 Y CA 0.218 57.805 58.100 -0.855 0.000 1.306 1068 Y CB 0.252 37.947 38.460 -1.274 0.000 1.149 1068 Y HN 0.793 nan 8.280 nan 0.000 0.527 1069 A N 5.205 127.692 122.820 -0.556 0.000 2.271 1069 A HA 0.509 4.828 4.320 -0.001 0.000 0.317 1069 A C 0.022 177.390 177.584 -0.360 0.000 1.245 1069 A CA -0.374 51.517 52.037 -0.243 0.000 0.857 1069 A CB 0.054 18.976 19.000 -0.131 0.000 1.175 1069 A HN 0.778 nan 8.150 nan 0.000 0.512 1070 T N -0.848 113.619 114.554 -0.146 0.000 2.899 1070 T HA 0.497 4.846 4.350 -0.001 0.000 0.295 1070 T C 0.013 174.676 174.700 -0.062 0.000 1.033 1070 T CA -0.551 61.490 62.100 -0.097 0.000 1.084 1070 T CB 0.995 69.883 68.868 0.034 0.000 0.979 1070 T HN 1.128 nan 8.240 nan 0.000 0.532 1071 C N 2.928 122.196 119.300 -0.053 0.000 3.173 1071 C HA 0.556 5.016 4.460 -0.001 0.000 0.310 1071 C C 1.757 176.736 174.990 -0.019 0.000 1.306 1071 C CA -0.965 58.039 59.018 -0.024 0.000 1.426 1071 C CB 0.244 27.966 27.740 -0.029 0.000 1.800 1071 C HN 1.079 nan 8.230 nan 0.000 0.470 1072 I N 0.927 121.494 120.570 -0.005 0.000 2.454 1072 I HA -0.073 4.096 4.170 -0.001 0.000 0.254 1072 I C 1.624 177.725 176.117 -0.027 0.000 1.156 1072 I CA 1.814 63.108 61.300 -0.010 0.000 1.433 1072 I CB -0.618 37.383 38.000 0.003 0.000 1.082 1072 I HN 0.717 nan 8.210 nan 0.000 0.432 1073 N N 0.851 119.532 118.700 -0.032 0.000 2.453 1073 N HA -0.150 4.589 4.740 -0.001 0.000 0.183 1073 N C 1.761 177.224 175.510 -0.079 0.000 1.041 1073 N CA 0.723 53.742 53.050 -0.052 0.000 0.900 1073 N CB -0.088 38.371 38.487 -0.046 0.000 0.961 1073 N HN 0.582 nan 8.380 nan 0.000 0.443 1074 Q N -0.179 119.577 119.800 -0.075 0.000 2.311 1074 Q HA 0.052 4.392 4.340 -0.001 0.000 0.203 1074 Q C 0.804 176.747 176.000 -0.095 0.000 0.954 1074 Q CA 0.513 56.257 55.803 -0.098 0.000 0.885 1074 Q CB 0.428 29.126 28.738 -0.067 0.000 0.963 1074 Q HN 0.390 nan 8.270 nan 0.000 0.471 1075 G N 1.238 109.998 108.800 -0.067 0.000 2.256 1075 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.272 1075 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.272 1075 G C -0.245 174.628 174.900 -0.045 0.000 1.076 1075 G CA -0.343 44.723 45.100 -0.056 0.000 0.882 1075 G HN 0.218 nan 8.290 nan 0.000 0.497 1076 L N 0.136 121.338 121.223 -0.034 0.000 2.615 1076 L HA 0.064 4.403 4.340 -0.001 0.000 0.271 1076 L C 2.165 179.022 176.870 -0.022 0.000 1.183 1076 L CA 0.540 55.364 54.840 -0.027 0.000 0.933 1076 L CB 0.317 42.371 42.059 -0.007 0.000 1.199 1076 L HN 0.583 nan 8.230 nan 0.000 0.487 1077 R N 3.748 124.233 120.500 -0.025 0.000 2.189 1077 R HA -0.092 4.247 4.340 -0.001 0.000 0.223 1077 R C 0.989 177.283 176.300 -0.010 0.000 1.092 1077 R CA 1.263 57.352 56.100 -0.019 0.000 0.989 1077 R CB 0.165 30.453 30.300 -0.020 0.000 0.876 1077 R HN 0.589 nan 8.270 nan 0.000 0.457 1078 K N 0.060 120.456 120.400 -0.006 0.000 2.373 1078 K HA 0.217 4.536 4.320 -0.001 0.000 0.202 1078 K C -0.271 176.330 176.600 0.003 0.000 1.025 1078 K CA 0.372 56.659 56.287 -0.000 0.000 1.115 1078 K CB 1.492 33.995 32.500 0.004 0.000 0.858 1078 K HN 0.418 nan 8.250 nan 0.000 0.525 1079 G N 0.833 109.634 108.800 0.002 0.000 2.515 1079 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.686 1079 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.686 1079 G C 0.122 175.028 174.900 0.009 0.000 1.274 1079 G CA -0.873 44.230 45.100 0.005 0.000 0.874 1079 G HN -0.111 nan 8.290 nan 0.000 0.631 1080 M N 1.045 120.651 119.600 0.011 0.000 2.619 1080 M HA 0.071 4.550 4.480 -0.001 0.000 0.251 1080 M C 2.457 178.768 176.300 0.018 0.000 1.106 1080 M CA 1.639 56.949 55.300 0.015 0.000 1.086 1080 M CB -0.833 31.776 32.600 0.015 0.000 1.465 1080 M HN 0.971 nan 8.290 nan 0.000 0.506 1081 G N 0.393 109.203 108.800 0.016 0.000 2.625 1081 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.214 1081 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.214 1081 G C 1.433 176.346 174.900 0.022 0.000 1.132 1081 G CA 0.398 45.509 45.100 0.018 0.000 0.782 1081 G HN 0.301 nan 8.290 nan 0.000 0.538 1082 K N 0.711 121.126 120.400 0.025 0.000 2.399 1082 K HA 0.252 4.572 4.320 -0.001 0.000 0.204 1082 K C 1.924 178.552 176.600 0.048 0.000 1.023 1082 K CA -0.063 56.244 56.287 0.033 0.000 1.127 1082 K CB 0.577 33.095 32.500 0.031 0.000 0.856 1082 K HN 0.114 nan 8.250 nan 0.000 0.514 1083 S N 1.783 117.510 115.700 0.045 0.000 2.365 1083 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 1083 S C 1.766 176.411 174.600 0.074 0.000 1.039 1083 S CA 1.291 59.529 58.200 0.063 0.000 1.033 1083 S CB 0.020 63.244 63.200 0.040 0.000 0.887 1083 S HN 0.339 nan 8.310 nan 0.000 0.447 1084 Q N 0.587 120.414 119.800 0.045 0.000 2.170 1084 Q HA -0.128 4.211 4.340 -0.001 0.000 0.203 1084 Q C 1.784 177.819 176.000 0.058 0.000 0.976 1084 Q CA 1.281 57.108 55.803 0.040 0.000 0.858 1084 Q CB -0.536 28.213 28.738 0.018 0.000 0.907 1084 Q HN 0.568 nan 8.270 nan 0.000 0.433 1085 D N -0.327 120.109 120.400 0.059 0.000 2.149 1085 D HA -0.086 4.553 4.640 -0.001 0.000 0.201 1085 D C 1.801 178.160 176.300 0.100 0.000 0.972 1085 D CA 0.469 54.509 54.000 0.066 0.000 0.835 1085 D CB 0.330 41.162 40.800 0.053 0.000 0.966 1085 D HN -0.030 nan 8.370 nan 0.000 0.476 1086 V N 0.390 120.379 119.914 0.126 0.000 2.548 1086 V HA -0.169 3.950 4.120 -0.001 0.000 0.249 1086 V C 2.295 178.500 176.094 0.186 0.000 1.055 1086 V CA 1.219 63.643 62.300 0.207 0.000 1.065 1086 V CB -0.382 31.566 31.823 0.208 0.000 0.681 1086 V HN 0.324 nan 8.190 nan 0.000 0.462 1087 M N -0.156 119.531 119.600 0.144 0.000 2.229 1087 M HA -0.153 4.326 4.480 -0.001 0.000 0.264 1087 M C 2.073 178.389 176.300 0.026 0.000 1.063 1087 M CA 1.869 57.216 55.300 0.077 0.000 1.114 1087 M CB -0.713 31.977 32.600 0.151 0.000 1.387 1087 M HN 0.441 nan 8.290 nan 0.000 0.420 1088 N N -0.134 118.624 118.700 0.095 0.000 2.039 1088 N HA -0.150 4.589 4.740 -0.001 0.000 0.193 1088 N C 1.429 176.993 175.510 0.090 0.000 1.044 1088 N CA 1.768 54.915 53.050 0.162 0.000 0.847 1088 N CB 0.152 38.708 38.487 0.115 0.000 1.030 1088 N HN 0.199 nan 8.380 nan 0.000 0.422 1089 T N 0.346 114.916 114.554 0.026 0.000 2.759 1089 T HA -0.099 4.250 4.350 -0.001 0.000 0.269 1089 T C 1.833 176.291 174.700 -0.403 0.000 1.042 1089 T CA 1.112 63.174 62.100 -0.063 0.000 1.140 1089 T CB -0.370 68.562 68.868 0.106 0.000 0.864 1089 T HN 0.421 nan 8.240 nan 0.000 0.455 1090 A N 0.722 123.185 122.820 -0.595 0.000 1.978 1090 A HA -0.043 4.276 4.320 -0.001 0.000 0.220 1090 A C 2.500 179.848 177.584 -0.393 0.000 1.170 1090 A CA 1.311 52.769 52.037 -0.965 0.000 0.636 1090 A CB -0.703 17.712 19.000 -0.976 0.000 0.810 1090 A HN 0.403 nan 8.150 nan 0.000 0.448 1091 V N -0.309 119.451 119.914 -0.258 0.000 2.379 1091 V HA -0.157 3.962 4.120 -0.001 0.000 0.243 1091 V C 2.300 178.256 176.094 -0.230 0.000 1.035 1091 V CA 1.924 64.069 62.300 -0.259 0.000 1.035 1091 V CB -0.603 30.844 31.823 -0.627 0.000 0.673 1091 V HN 0.485 nan 8.190 nan 0.000 0.457 1092 K N 1.274 121.598 120.400 -0.127 0.000 2.147 1092 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 1092 K C 2.210 178.746 176.600 -0.106 0.000 1.049 1092 K CA 1.765 58.025 56.287 -0.045 0.000 0.936 1092 K CB -0.313 32.217 32.500 0.050 0.000 0.722 1092 K HN 0.619 nan 8.250 nan 0.000 0.446 1093 S N -0.616 114.986 115.700 -0.163 0.000 2.561 1093 S HA 0.068 4.537 4.470 -0.001 0.000 0.225 1093 S C 1.412 175.940 174.600 -0.120 0.000 0.977 1093 S CA 0.506 58.619 58.200 -0.145 0.000 0.926 1093 S CB 0.198 63.271 63.200 -0.212 0.000 0.769 1093 S HN 0.450 nan 8.310 nan 0.000 0.533 1094 G N 0.387 109.111 108.800 -0.126 0.000 2.159 1094 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.256 1094 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.256 1094 G C 0.270 175.186 174.900 0.027 0.000 0.977 1094 G CA 0.383 45.434 45.100 -0.080 0.000 0.652 1094 G HN 0.608 nan 8.290 nan 0.000 0.531 1095 Y N -0.667 119.543 120.300 -0.149 0.000 2.242 1095 Y HA 0.235 4.784 4.550 -0.001 0.000 0.291 1095 Y C 1.328 177.275 175.900 0.078 0.000 1.137 1095 Y CA 1.796 59.849 58.100 -0.077 0.000 1.181 1095 Y CB 0.233 38.515 38.460 -0.297 0.000 0.989 1095 Y HN 0.365 nan 8.280 nan 0.000 0.527 1096 W N 4.521 125.788 121.300 -0.056 0.000 2.237 1096 W HA 0.302 4.961 4.660 -0.001 0.000 0.289 1096 W C -3.012 173.464 176.519 -0.072 0.000 0.988 1096 W CA -2.153 55.149 57.345 -0.072 0.000 1.671 1096 W CB 0.840 30.236 29.460 -0.107 0.000 1.746 1096 W HN -0.047 nan 8.180 nan 0.000 0.380 1097 P HA 0.123 nan 4.420 nan 0.000 0.272 1097 P C -0.437 176.827 177.300 -0.060 0.000 1.223 1097 P CA 0.256 63.414 63.100 0.098 0.000 0.784 1097 P CB 1.831 33.734 31.700 0.338 0.000 0.923 1098 L N 3.366 124.571 121.223 -0.030 0.000 2.309 1098 L HA 0.578 4.918 4.340 -0.001 0.000 0.282 1098 L C 0.151 176.996 176.870 -0.042 0.000 1.036 1098 L CA -0.655 54.095 54.840 -0.151 0.000 0.806 1098 L CB 0.448 42.492 42.059 -0.026 0.000 1.220 1098 L HN 0.445 nan 8.230 nan 0.000 0.429 1099 F N 0.408 120.307 119.950 -0.084 0.000 2.741 1099 F HA 0.751 5.278 4.527 -0.001 0.000 0.313 1099 F C -1.007 174.635 175.800 -0.263 0.000 1.153 1099 F CA -1.325 56.515 58.000 -0.267 0.000 0.931 1099 F CB 1.567 40.342 39.000 -0.376 0.000 1.335 1099 F HN 0.219 nan 8.300 nan 0.000 0.460 1100 R N 0.519 120.924 120.500 -0.157 0.000 2.621 1100 R HA 0.442 4.782 4.340 -0.001 0.000 0.284 1100 R C -2.336 173.788 176.300 -0.292 0.000 0.998 1100 R CA -0.993 54.980 56.100 -0.212 0.000 0.895 1100 R CB 2.643 32.841 30.300 -0.170 0.000 1.195 1100 R HN 0.824 nan 8.270 nan 0.000 0.450 1101 Y N 2.228 122.260 120.300 -0.448 0.000 2.464 1101 Y HA 0.249 4.798 4.550 -0.002 0.000 0.326 1101 Y C -1.069 174.519 175.900 -0.520 0.000 0.969 1101 Y CA -0.868 57.041 58.100 -0.319 0.000 1.270 1101 Y CB 0.992 39.383 38.460 -0.116 0.000 1.103 1101 Y HN 0.461 nan 8.280 nan 0.000 0.491 1102 D N 8.286 128.378 120.400 -0.513 0.000 2.427 1102 D HA 0.318 4.957 4.640 -0.001 0.000 0.226 1102 D C -2.141 173.958 176.300 -0.334 0.000 1.076 1102 D CA -2.541 51.294 54.000 -0.275 0.000 0.849 1102 D CB 2.184 42.961 40.800 -0.038 0.000 1.052 1102 D HN 0.303 nan 8.370 nan 0.000 0.515 1103 P HA -0.126 nan 4.420 nan 0.000 0.220 1103 P C 1.321 178.634 177.300 0.023 0.000 1.148 1103 P CA 0.776 63.757 63.100 -0.198 0.000 0.803 1103 P CB 0.117 31.580 31.700 -0.395 0.000 0.782 1104 R N 0.162 120.740 120.500 0.129 0.000 2.189 1104 R HA -0.024 4.315 4.340 -0.001 0.000 0.223 1104 R C 1.730 178.124 176.300 0.157 0.000 1.092 1104 R CA 1.173 57.463 56.100 0.316 0.000 0.989 1104 R CB -1.603 28.924 30.300 0.377 0.000 0.876 1104 R HN 0.267 nan 8.270 nan 0.000 0.457 1105 L N 0.824 122.054 121.223 0.013 0.000 2.217 1105 L HA 0.054 4.394 4.340 -0.001 0.000 0.211 1105 L C 2.731 179.531 176.870 -0.118 0.000 1.107 1105 L CA 0.981 55.780 54.840 -0.068 0.000 0.783 1105 L CB -0.506 41.450 42.059 -0.172 0.000 0.919 1105 L HN 0.242 nan 8.230 nan 0.000 0.442 1106 A N 0.255 123.000 122.820 -0.125 0.000 2.015 1106 A HA -0.039 4.280 4.320 -0.001 0.000 0.219 1106 A C 2.397 180.064 177.584 0.138 0.000 1.163 1106 A CA 1.434 53.412 52.037 -0.099 0.000 0.646 1106 A CB -0.390 18.621 19.000 0.018 0.000 0.806 1106 A HN 0.372 nan 8.150 nan 0.000 0.448 1107 A N -1.156 121.771 122.820 0.178 0.000 2.169 1107 A HA 0.053 4.372 4.320 -0.001 0.000 0.212 1107 A C 1.704 179.365 177.584 0.129 0.000 1.153 1107 A CA 0.943 53.094 52.037 0.190 0.000 0.756 1107 A CB -0.176 18.972 19.000 0.246 0.000 0.813 1107 A HN 0.612 nan 8.150 nan 0.000 0.471 1108 Q N -1.635 118.224 119.800 0.099 0.000 2.179 1108 Q HA 0.318 4.657 4.340 -0.001 0.000 0.213 1108 Q C 0.939 176.992 176.000 0.089 0.000 0.833 1108 Q CA 0.242 56.090 55.803 0.077 0.000 0.990 1108 Q CB 0.627 29.395 28.738 0.049 0.000 1.132 1108 Q HN 0.739 nan 8.270 nan 0.000 0.493 1109 G N 1.348 110.237 108.800 0.149 0.000 2.184 1109 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.264 1109 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.264 1109 G C 0.143 175.168 174.900 0.208 0.000 0.975 1109 G CA 0.275 45.541 45.100 0.275 0.000 0.642 1109 G HN 0.136 nan 8.290 nan 0.000 0.536 1110 K N 0.418 120.762 120.400 -0.093 0.000 2.098 1110 K HA 0.440 4.759 4.320 -0.001 0.000 0.257 1110 K C 0.529 176.619 176.600 -0.849 0.000 0.999 1110 K CA -0.536 55.597 56.287 -0.256 0.000 0.924 1110 K CB 0.465 32.862 32.500 -0.172 0.000 1.028 1110 K HN 0.297 nan 8.250 nan 0.000 0.466 1111 N N 2.360 120.668 118.700 -0.654 0.000 2.442 1111 N HA 0.053 4.792 4.740 -0.001 0.000 0.265 1111 N C -1.702 173.475 175.510 -0.554 0.000 1.138 1111 N CA -1.485 51.110 53.050 -0.758 0.000 0.956 1111 N CB 0.783 39.146 38.487 -0.205 0.000 1.067 1111 N HN 0.281 nan 8.380 nan 0.000 0.474 1112 P HA -0.115 nan 4.420 nan 0.000 0.221 1112 P C -0.004 176.947 177.300 -0.583 0.000 1.150 1112 P CA 0.714 63.403 63.100 -0.684 0.000 0.800 1112 P CB 0.052 31.112 31.700 -1.066 0.000 0.787 1113 F N 2.040 121.704 119.950 -0.476 0.000 2.421 1113 F HA 0.237 4.763 4.527 -0.001 0.000 0.358 1113 F C 0.219 175.930 175.800 -0.148 0.000 1.115 1113 F CA -0.269 57.598 58.000 -0.220 0.000 1.160 1113 F CB 0.392 39.338 39.000 -0.089 0.000 1.123 1113 F HN -0.175 nan 8.300 nan 0.000 0.508 1114 Q N 6.723 126.091 119.800 -0.720 0.000 2.341 1114 Q HA 0.389 4.729 4.340 -0.001 0.000 0.268 1114 Q C -1.014 174.638 176.000 -0.580 0.000 1.013 1114 Q CA -0.663 54.862 55.803 -0.463 0.000 0.798 1114 Q CB 2.494 31.075 28.738 -0.261 0.000 1.253 1114 Q HN 0.651 nan 8.270 nan 0.000 0.457 1115 L N 3.154 124.174 121.223 -0.340 0.000 2.281 1115 L HA 0.165 4.504 4.340 -0.001 0.000 0.285 1115 L C 0.022 176.886 176.870 -0.010 0.000 1.074 1115 L CA 0.049 54.801 54.840 -0.146 0.000 0.817 1115 L CB 0.802 42.846 42.059 -0.025 0.000 1.168 1115 L HN 0.768 nan 8.230 nan 0.000 0.434 1116 D N 0.917 121.345 120.400 0.046 0.000 2.367 1116 D HA 0.040 4.679 4.640 -0.001 0.000 0.207 1116 D C 0.648 177.050 176.300 0.170 0.000 1.034 1116 D CA 0.360 54.421 54.000 0.102 0.000 0.861 1116 D CB 0.653 41.514 40.800 0.101 0.000 0.943 1116 D HN 0.534 nan 8.370 nan 0.000 0.515 1117 S N -0.524 115.277 115.700 0.168 0.000 2.689 1117 S HA 0.533 5.002 4.470 -0.001 0.000 0.306 1117 S C 0.104 174.868 174.600 0.274 0.000 1.104 1117 S CA -0.894 57.397 58.200 0.151 0.000 0.973 1117 S CB 2.732 65.871 63.200 -0.102 0.000 1.121 1117 S HN -0.238 nan 8.310 nan 0.000 0.523 1118 K N 0.256 120.760 120.400 0.173 0.000 2.209 1118 K HA 0.639 4.958 4.320 -0.001 0.000 0.238 1118 K C 0.362 176.808 176.600 -0.256 0.000 1.028 1118 K CA -0.632 55.715 56.287 0.100 0.000 0.935 1118 K CB 0.702 33.242 32.500 0.068 0.000 1.162 1118 K HN 0.821 nan 8.250 nan 0.000 0.485 1119 A N 1.646 124.196 122.820 -0.449 0.000 2.425 1119 A HA 0.232 4.551 4.320 -0.001 0.000 0.242 1119 A C -2.160 175.081 177.584 -0.570 0.000 1.077 1119 A CA -1.002 50.457 52.037 -0.964 0.000 0.781 1119 A CB -0.735 17.982 19.000 -0.471 0.000 1.020 1119 A HN 0.345 nan 8.150 nan 0.000 0.494 1120 P HA -0.043 nan 4.420 nan 0.000 0.257 1120 P C -0.245 176.951 177.300 -0.173 0.000 1.162 1120 P CA 0.788 63.721 63.100 -0.279 0.000 0.762 1120 P CB 0.427 32.003 31.700 -0.207 0.000 0.753 1121 D N 2.532 122.860 120.400 -0.119 0.000 2.347 1121 D HA 0.027 4.666 4.640 -0.001 0.000 0.215 1121 D C 1.266 177.538 176.300 -0.047 0.000 0.976 1121 D CA 0.803 54.761 54.000 -0.071 0.000 0.884 1121 D CB -0.525 40.250 40.800 -0.042 0.000 0.915 1121 D HN 0.508 nan 8.370 nan 0.000 0.526 1122 G N -0.148 108.623 108.800 -0.047 0.000 2.131 1122 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.201 1122 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.201 1122 G C 0.632 175.528 174.900 -0.007 0.000 1.000 1122 G CA 0.421 45.507 45.100 -0.023 0.000 0.680 1122 G HN 0.734 nan 8.290 nan 0.000 0.514 1123 S N -1.098 114.598 115.700 -0.007 0.000 2.602 1123 S HA 0.386 4.855 4.470 -0.001 0.000 0.240 1123 S C 1.995 176.622 174.600 0.045 0.000 0.992 1123 S CA 0.854 59.064 58.200 0.017 0.000 0.971 1123 S CB 0.654 63.866 63.200 0.020 0.000 0.855 1123 S HN 0.916 nan 8.310 nan 0.000 0.481 1124 V N 1.208 121.143 119.914 0.035 0.000 2.287 1124 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 1124 V C 2.765 178.903 176.094 0.073 0.000 1.053 1124 V CA 2.270 64.618 62.300 0.080 0.000 1.027 1124 V CB -1.235 30.630 31.823 0.069 0.000 0.646 1124 V HN 0.620 nan 8.190 nan 0.000 0.447 1125 E N 1.082 121.300 120.200 0.029 0.000 2.070 1125 E HA -0.293 4.057 4.350 -0.001 0.000 0.197 1125 E C 2.250 178.848 176.600 -0.003 0.000 1.004 1125 E CA 2.187 58.588 56.400 0.002 0.000 0.805 1125 E CB -0.421 29.284 29.700 0.008 0.000 0.744 1125 E HN 0.739 nan 8.360 nan 0.000 0.451 1126 E N -1.257 118.957 120.200 0.024 0.000 2.072 1126 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 1126 E C 1.927 178.538 176.600 0.019 0.000 0.985 1126 E CA 0.950 57.362 56.400 0.021 0.000 0.801 1126 E CB -0.352 29.369 29.700 0.036 0.000 0.750 1126 E HN 0.408 nan 8.360 nan 0.000 0.452 1127 F N 1.402 121.299 119.950 -0.090 0.000 2.161 1127 F HA -0.159 4.367 4.527 -0.001 0.000 0.300 1127 F C 1.766 177.472 175.800 -0.156 0.000 1.089 1127 F CA 1.335 59.258 58.000 -0.128 0.000 1.282 1127 F CB -0.108 38.781 39.000 -0.186 0.000 1.010 1127 F HN -0.002 nan 8.300 nan 0.000 0.485 1128 L N -0.793 120.210 121.223 -0.367 0.000 2.095 1128 L HA -0.161 4.178 4.340 -0.001 0.000 0.204 1128 L C 2.387 179.158 176.870 -0.165 0.000 1.080 1128 L CA 0.698 55.226 54.840 -0.519 0.000 0.759 1128 L CB -0.633 41.066 42.059 -0.601 0.000 0.914 1128 L HN 0.124 nan 8.230 nan 0.000 0.439 1129 M N -0.227 119.313 119.600 -0.100 0.000 2.549 1129 M HA -0.046 4.433 4.480 -0.001 0.000 0.260 1129 M C 1.970 178.249 176.300 -0.034 0.000 1.076 1129 M CA 0.887 56.173 55.300 -0.024 0.000 1.090 1129 M CB -0.948 31.642 32.600 -0.016 0.000 1.418 1129 M HN 0.226 nan 8.290 nan 0.000 0.486 1130 A N -0.283 122.485 122.820 -0.086 0.000 2.307 1130 A HA 0.116 4.435 4.320 -0.001 0.000 0.218 1130 A C 0.502 178.036 177.584 -0.084 0.000 1.228 1130 A CA 0.046 52.037 52.037 -0.077 0.000 0.857 1130 A CB -0.044 18.910 19.000 -0.078 0.000 0.897 1130 A HN 0.491 nan 8.150 nan 0.000 0.495 1131 Q N -0.725 119.038 119.800 -0.061 0.000 2.337 1131 Q HA 0.262 4.601 4.340 -0.001 0.000 0.270 1131 Q C 0.325 176.322 176.000 -0.005 0.000 1.043 1131 Q CA -0.642 55.138 55.803 -0.038 0.000 0.794 1131 Q CB 1.483 30.204 28.738 -0.029 0.000 1.281 1131 Q HN 0.423 nan 8.270 nan 0.000 0.446 1132 N N 2.091 120.764 118.700 -0.046 0.000 2.309 1132 N HA -0.161 4.578 4.740 -0.001 0.000 0.182 1132 N C 1.346 176.798 175.510 -0.097 0.000 1.018 1132 N CA 0.947 53.966 53.050 -0.053 0.000 0.876 1132 N CB 0.355 38.808 38.487 -0.057 0.000 0.972 1132 N HN 0.567 nan 8.380 nan 0.000 0.434 1133 R N -0.957 119.424 120.500 -0.199 0.000 2.193 1133 R HA -0.092 4.247 4.340 -0.001 0.000 0.229 1133 R C 1.008 177.034 176.300 -0.457 0.000 1.110 1133 R CA 1.186 57.069 56.100 -0.362 0.000 0.988 1133 R CB -0.436 29.549 30.300 -0.525 0.000 0.871 1133 R HN 0.178 nan 8.270 nan 0.000 0.458 1134 F N 0.608 120.537 119.950 -0.035 0.000 2.500 1134 F HA 0.398 4.924 4.527 -0.001 0.000 0.285 1134 F C 2.600 178.389 175.800 -0.017 0.000 1.088 1134 F CA 0.285 58.275 58.000 -0.017 0.000 1.432 1134 F CB -0.366 38.610 39.000 -0.040 0.000 1.131 1134 F HN 0.043 nan 8.300 nan 0.000 0.582 1135 A N 0.507 123.414 122.820 0.144 0.000 2.015 1135 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 1135 A C 2.190 179.786 177.584 0.021 0.000 1.163 1135 A CA 1.887 53.962 52.037 0.064 0.000 0.646 1135 A CB -1.289 17.728 19.000 0.028 0.000 0.806 1135 A HN 0.225 nan 8.150 nan 0.000 0.448 1136 V N -1.670 118.242 119.914 -0.003 0.000 2.407 1136 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 1136 V C 2.286 178.360 176.094 -0.033 0.000 1.055 1136 V CA 1.570 63.849 62.300 -0.034 0.000 1.049 1136 V CB -1.116 30.678 31.823 -0.048 0.000 0.662 1136 V HN 0.469 nan 8.190 nan 0.000 0.455 1137 L N 0.457 121.701 121.223 0.034 0.000 2.046 1137 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 1137 L C 2.482 179.380 176.870 0.047 0.000 1.077 1137 L CA 2.720 57.616 54.840 0.093 0.000 0.747 1137 L CB -0.721 41.442 42.059 0.174 0.000 0.896 1137 L HN 0.454 nan 8.230 nan 0.000 0.432 1138 D N -0.450 119.979 120.400 0.048 0.000 2.149 1138 D HA -0.203 4.436 4.640 -0.001 0.000 0.198 1138 D C 2.286 178.573 176.300 -0.022 0.000 0.990 1138 D CA 1.241 55.259 54.000 0.030 0.000 0.839 1138 D CB 0.213 41.035 40.800 0.036 0.000 0.948 1138 D HN 0.150 nan 8.370 nan 0.000 0.460 1139 R N -0.638 119.827 120.500 -0.059 0.000 2.075 1139 R HA 0.081 4.420 4.340 -0.001 0.000 0.226 1139 R C 2.373 178.562 176.300 -0.184 0.000 1.114 1139 R CA 1.114 57.157 56.100 -0.096 0.000 0.972 1139 R CB 0.042 30.287 30.300 -0.093 0.000 0.869 1139 R HN 0.054 nan 8.270 nan 0.000 0.437 1140 S N 0.030 115.540 115.700 -0.318 0.000 2.356 1140 S HA 0.052 4.522 4.470 -0.001 0.000 0.219 1140 S C 0.157 174.239 174.600 -0.863 0.000 1.036 1140 S CA 0.835 58.618 58.200 -0.695 0.000 0.965 1140 S CB 0.167 62.726 63.200 -1.068 0.000 0.864 1140 S HN 0.100 nan 8.310 nan 0.000 0.471 1141 F N 1.109 121.066 119.950 0.013 0.000 2.531 1141 F HA 0.431 4.957 4.527 -0.001 0.000 0.333 1141 F C -2.369 173.444 175.800 0.023 0.000 1.292 1141 F CA -2.769 55.241 58.000 0.017 0.000 1.184 1141 F CB 0.621 39.632 39.000 0.019 0.000 1.426 1141 F HN 0.021 nan 8.300 nan 0.000 0.559 1142 P HA -0.190 nan 4.420 nan 0.000 0.216 1142 P C 1.388 178.738 177.300 0.084 0.000 1.153 1142 P CA 1.697 64.836 63.100 0.066 0.000 0.858 1142 P CB 0.372 32.092 31.700 0.033 0.000 0.789 1143 E N -0.654 119.604 120.200 0.096 0.000 2.072 1143 E HA -0.171 4.179 4.350 -0.001 0.000 0.191 1143 E C 1.513 178.163 176.600 0.083 0.000 0.985 1143 E CA 1.155 57.602 56.400 0.078 0.000 0.801 1143 E CB -0.492 29.251 29.700 0.071 0.000 0.750 1143 E HN 0.274 nan 8.360 nan 0.000 0.452 1144 D N 0.387 120.856 120.400 0.115 0.000 2.149 1144 D HA -0.045 4.594 4.640 -0.001 0.000 0.201 1144 D C 1.836 178.201 176.300 0.109 0.000 0.972 1144 D CA 1.095 55.156 54.000 0.101 0.000 0.835 1144 D CB -0.182 40.682 40.800 0.106 0.000 0.966 1144 D HN 0.122 nan 8.370 nan 0.000 0.476 1145 A N 0.934 123.834 122.820 0.132 0.000 1.883 1145 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 1145 A C 2.053 179.694 177.584 0.095 0.000 1.186 1145 A CA 1.725 53.838 52.037 0.126 0.000 0.624 1145 A CB -0.541 18.530 19.000 0.119 0.000 0.822 1145 A HN 0.136 nan 8.150 nan 0.000 0.444 1146 K N -0.563 119.882 120.400 0.075 0.000 2.103 1146 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 1146 K C 2.341 178.973 176.600 0.053 0.000 1.048 1146 K CA 1.581 57.901 56.287 0.055 0.000 0.930 1146 K CB -0.164 32.363 32.500 0.045 0.000 0.716 1146 K HN 0.471 nan 8.250 nan 0.000 0.444 1147 R N 0.203 120.736 120.500 0.055 0.000 2.062 1147 R HA -0.063 4.276 4.340 -0.001 0.000 0.231 1147 R C 2.446 178.781 176.300 0.059 0.000 1.136 1147 R CA 1.425 57.553 56.100 0.047 0.000 0.948 1147 R CB -0.351 29.974 30.300 0.042 0.000 0.845 1147 R HN 0.185 nan 8.270 nan 0.000 0.430 1148 L N 0.194 121.464 121.223 0.078 0.000 2.131 1148 L HA -0.136 4.203 4.340 -0.001 0.000 0.210 1148 L C 2.548 179.479 176.870 0.102 0.000 1.092 1148 L CA 1.232 56.132 54.840 0.099 0.000 0.759 1148 L CB -0.290 41.846 42.059 0.128 0.000 0.903 1148 L HN 0.144 nan 8.230 nan 0.000 0.435 1149 R N -0.287 120.262 120.500 0.083 0.000 2.119 1149 R HA 0.005 4.344 4.340 -0.001 0.000 0.222 1149 R C 2.389 178.719 176.300 0.050 0.000 1.088 1149 R CA 1.033 57.161 56.100 0.047 0.000 0.984 1149 R CB -0.251 30.064 30.300 0.026 0.000 0.884 1149 R HN 0.317 nan 8.270 nan 0.000 0.447 1150 A N 0.809 123.662 122.820 0.055 0.000 1.968 1150 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 1150 A C 2.032 179.666 177.584 0.084 0.000 1.169 1150 A CA 0.928 53.000 52.037 0.057 0.000 0.638 1150 A CB -0.282 18.743 19.000 0.042 0.000 0.812 1150 A HN 0.278 nan 8.150 nan 0.000 0.446 1151 Q N -0.348 119.502 119.800 0.084 0.000 2.079 1151 Q HA -0.101 4.238 4.340 -0.001 0.000 0.200 1151 Q C 1.974 178.054 176.000 0.134 0.000 0.974 1151 Q CA 1.628 57.496 55.803 0.110 0.000 0.840 1151 Q CB -0.141 28.649 28.738 0.087 0.000 0.898 1151 Q HN 0.407 nan 8.270 nan 0.000 0.430 1152 V N 0.862 120.844 119.914 0.113 0.000 2.392 1152 V HA -0.286 3.833 4.120 -0.001 0.000 0.249 1152 V C 2.230 178.383 176.094 0.099 0.000 1.059 1152 V CA 1.843 64.211 62.300 0.114 0.000 1.051 1152 V CB -0.778 31.118 31.823 0.122 0.000 0.658 1152 V HN 0.474 nan 8.190 nan 0.000 0.455 1153 A N -1.153 121.724 122.820 0.095 0.000 1.897 1153 A HA -0.228 4.091 4.320 -0.001 0.000 0.215 1153 A C 2.241 179.870 177.584 0.074 0.000 1.181 1153 A CA 1.585 53.668 52.037 0.077 0.000 0.620 1153 A CB -0.814 18.225 19.000 0.066 0.000 0.821 1153 A HN 0.705 nan 8.150 nan 0.000 0.443 1154 H N 0.082 119.167 119.070 0.024 0.000 2.321 1154 H HA -0.126 4.429 4.556 -0.002 0.000 0.300 1154 H C 1.863 177.199 175.328 0.015 0.000 1.087 1154 H CA 1.952 58.009 56.048 0.016 0.000 1.319 1154 H CB -0.073 29.697 29.762 0.013 0.000 1.379 1154 H HN 0.628 nan 8.280 nan 0.000 0.501 1155 E N 0.352 120.525 120.200 -0.046 0.000 2.049 1155 E HA -0.204 4.145 4.350 -0.001 0.000 0.198 1155 E C 2.507 179.040 176.600 -0.111 0.000 1.007 1155 E CA 1.733 58.079 56.400 -0.091 0.000 0.809 1155 E CB -0.155 29.555 29.700 0.016 0.000 0.749 1155 E HN 0.517 nan 8.360 nan 0.000 0.450 1156 L N -0.642 120.551 121.223 -0.050 0.000 2.362 1156 L HA 0.003 4.342 4.340 -0.001 0.000 0.219 1156 L C 1.642 178.505 176.870 -0.012 0.000 1.134 1156 L CA 1.720 56.545 54.840 -0.024 0.000 0.807 1156 L CB -0.305 41.760 42.059 0.009 0.000 0.927 1156 L HN -0.096 nan 8.230 nan 0.000 0.447 1157 D N 0.129 120.488 120.400 -0.069 0.000 2.120 1157 D HA -0.115 4.524 4.640 -0.001 0.000 0.202 1157 D C 2.097 178.354 176.300 -0.073 0.000 0.972 1157 D CA 1.205 55.170 54.000 -0.059 0.000 0.837 1157 D CB 0.147 40.895 40.800 -0.088 0.000 0.989 1157 D HN 0.123 nan 8.370 nan 0.000 0.469 1158 V N 0.405 120.195 119.914 -0.207 0.000 2.343 1158 V HA -0.193 3.926 4.120 -0.001 0.000 0.247 1158 V C 2.471 178.493 176.094 -0.121 0.000 1.051 1158 V CA 1.786 63.969 62.300 -0.195 0.000 1.036 1158 V CB -0.500 31.146 31.823 -0.295 0.000 0.654 1158 V HN 0.171 nan 8.190 nan 0.000 0.451 1159 R N -0.591 119.847 120.500 -0.103 0.000 2.070 1159 R HA -0.212 4.127 4.340 -0.001 0.000 0.233 1159 R C 2.240 178.504 176.300 -0.060 0.000 1.137 1159 R CA 2.111 58.156 56.100 -0.091 0.000 0.945 1159 R CB -0.499 29.755 30.300 -0.078 0.000 0.845 1159 R HN 0.430 nan 8.270 nan 0.000 0.430 1160 F N 1.498 121.394 119.950 -0.090 0.000 2.161 1160 F HA -0.181 4.345 4.527 -0.001 0.000 0.300 1160 F C 1.930 177.700 175.800 -0.051 0.000 1.089 1160 F CA 1.709 59.679 58.000 -0.050 0.000 1.282 1160 F CB 0.054 39.037 39.000 -0.029 0.000 1.010 1160 F HN -0.013 nan 8.300 nan 0.000 0.485 1161 K N -0.052 120.386 120.400 0.063 0.000 2.097 1161 K HA -0.172 4.147 4.320 -0.001 0.000 0.205 1161 K C 1.963 178.495 176.600 -0.113 0.000 1.050 1161 K CA 1.736 58.020 56.287 -0.005 0.000 0.938 1161 K CB -0.178 32.309 32.500 -0.021 0.000 0.718 1161 K HN 0.375 nan 8.250 nan 0.000 0.442 1162 E N 0.647 120.743 120.200 -0.173 0.000 2.106 1162 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 1162 E C 1.995 178.440 176.600 -0.259 0.000 0.984 1162 E CA 0.724 56.994 56.400 -0.216 0.000 0.806 1162 E CB 0.023 29.583 29.700 -0.233 0.000 0.750 1162 E HN 0.229 nan 8.360 nan 0.000 0.458 1163 L N 0.892 121.906 121.223 -0.348 0.000 2.083 1163 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 1163 L C 2.321 179.018 176.870 -0.289 0.000 1.083 1163 L CA 1.205 55.773 54.840 -0.454 0.000 0.752 1163 L CB -0.345 41.438 42.059 -0.460 0.000 0.899 1163 L HN 0.150 nan 8.230 nan 0.000 0.433 1164 E N -1.034 119.000 120.200 -0.278 0.000 2.106 1164 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 1164 E C 2.108 178.702 176.600 -0.010 0.000 0.984 1164 E CA 0.725 57.054 56.400 -0.119 0.000 0.806 1164 E CB -0.067 29.601 29.700 -0.052 0.000 0.750 1164 E HN 0.508 nan 8.360 nan 0.000 0.458 1165 H N 0.151 119.134 119.070 -0.145 0.000 2.353 1165 H HA -0.092 4.463 4.556 -0.001 0.000 0.300 1165 H C 2.202 177.447 175.328 -0.138 0.000 1.090 1165 H CA 1.307 57.284 56.048 -0.118 0.000 1.327 1165 H CB 0.149 29.831 29.762 -0.133 0.000 1.383 1165 H HN 0.162 nan 8.280 nan 0.000 0.508 1166 M N -0.218 119.290 119.600 -0.153 0.000 2.086 1166 M HA -0.135 4.344 4.480 -0.001 0.000 0.261 1166 M C 2.752 179.006 176.300 -0.077 0.000 1.067 1166 M CA 1.405 56.527 55.300 -0.298 0.000 1.116 1166 M CB -0.208 31.850 32.600 -0.904 0.000 1.348 1166 M HN 0.281 nan 8.290 nan 0.000 0.407 1167 A N -0.018 122.857 122.820 0.092 0.000 2.067 1167 A HA 0.085 4.405 4.320 -0.001 0.000 0.219 1167 A C 2.071 179.705 177.584 0.084 0.000 1.158 1167 A CA 1.645 53.819 52.037 0.228 0.000 0.661 1167 A CB -0.594 18.543 19.000 0.228 0.000 0.801 1167 A HN 0.516 nan 8.150 nan 0.000 0.452 1168 A N -1.412 121.420 122.820 0.020 0.000 2.308 1168 A HA 0.355 4.674 4.320 -0.001 0.000 0.217 1168 A C 1.161 178.732 177.584 -0.023 0.000 1.216 1168 A CA 0.700 52.736 52.037 -0.002 0.000 0.864 1168 A CB -0.484 18.502 19.000 -0.024 0.000 0.902 1168 A HN 0.325 nan 8.150 nan 0.000 0.499 1169 T N 0.280 114.824 114.554 -0.015 0.000 2.868 1169 T HA 0.206 4.555 4.350 -0.001 0.000 0.292 1169 T C 1.125 175.883 174.700 0.096 0.000 1.028 1169 T CA 0.424 62.517 62.100 -0.012 0.000 1.059 1169 T CB 0.317 69.173 68.868 -0.019 0.000 0.991 1169 T HN 0.632 nan 8.240 nan 0.000 0.531 1170 N N 2.127 120.831 118.700 0.007 0.000 2.250 1170 N HA 0.198 4.937 4.740 -0.001 0.000 0.190 1170 N C -0.224 175.044 175.510 -0.404 0.000 1.116 1170 N CA -0.131 52.887 53.050 -0.053 0.000 0.881 1170 N CB 0.064 38.505 38.487 -0.076 0.000 1.006 1170 N HN 0.390 nan 8.380 nan 0.000 0.491 1171 I N 1.759 122.168 120.570 -0.268 0.000 2.304 1171 I HA 0.308 4.477 4.170 -0.001 0.000 0.291 1171 I C -1.184 174.824 176.117 -0.181 0.000 1.018 1171 I CA -0.769 60.333 61.300 -0.330 0.000 1.260 1171 I CB 0.164 38.079 38.000 -0.142 0.000 1.390 1171 I HN 0.042 nan 8.210 nan 0.000 0.475 1172 F N 2.750 122.709 119.950 0.014 0.000 2.619 1172 F HA 0.551 5.077 4.527 -0.001 0.000 0.308 1172 F C -0.492 175.349 175.800 0.069 0.000 1.097 1172 F CA -1.416 56.609 58.000 0.041 0.000 0.953 1172 F CB 0.755 39.773 39.000 0.029 0.000 1.287 1172 F HN 0.292 nan 8.300 nan 0.000 0.446 1173 E N 1.584 121.985 120.200 0.335 0.000 2.366 1173 E HA 0.214 4.564 4.350 -0.001 0.000 0.266 1173 E C -0.153 176.645 176.600 0.330 0.000 1.015 1173 E CA -0.194 56.368 56.400 0.270 0.000 0.906 1173 E CB 1.218 31.067 29.700 0.249 0.000 0.979 1173 E HN 0.617 nan 8.360 nan 0.000 0.443 1174 S N 2.217 118.088 115.700 0.285 0.000 2.641 1174 S HA 0.458 4.928 4.470 -0.001 0.000 0.261 1174 S C -0.832 173.998 174.600 0.382 0.000 1.257 1174 S CA -0.467 57.914 58.200 0.301 0.000 0.983 1174 S CB 0.344 63.670 63.200 0.210 0.000 0.990 1174 S HN 0.446 nan 8.310 nan 0.000 0.572 1175 F N 0.356 120.409 119.950 0.173 0.000 2.604 1175 F HA 0.639 5.165 4.527 -0.001 0.000 0.316 1175 F C -1.060 174.817 175.800 0.129 0.000 1.136 1175 F CA -0.642 57.470 58.000 0.187 0.000 0.989 1175 F CB 0.872 40.025 39.000 0.254 0.000 1.258 1175 F HN 0.590 nan 8.300 nan 0.000 0.451 1176 A N 7.168 129.520 122.820 -0.780 0.000 2.330 1176 A HA 0.706 5.025 4.320 -0.001 0.000 0.313 1176 A C -2.272 174.562 177.584 -1.250 0.000 1.124 1176 A CA -1.802 49.776 52.037 -0.764 0.000 0.774 1176 A CB 0.955 19.755 19.000 -0.333 0.000 1.198 1176 A HN 0.634 nan 8.150 nan 0.000 0.465 1177 P HA -0.245 nan 4.420 nan 0.000 0.208 1177 P C 0.905 178.032 177.300 -0.288 0.000 0.999 1177 P CA 3.109 65.869 63.100 -0.567 0.000 0.988 1177 P CB 0.352 31.905 31.700 -0.244 0.000 0.745 1178 A N -2.637 120.057 122.820 -0.211 0.000 3.955 1178 A HA 0.743 5.062 4.320 -0.001 0.000 0.175 1178 A C -0.410 177.096 177.584 -0.129 0.000 0.682 1178 A CA 0.135 52.089 52.037 -0.137 0.000 0.834 1178 A CB 0.731 19.676 19.000 -0.092 0.000 1.657 1178 A HN 0.308 nan 8.150 nan 0.000 0.820 1179 G N -1.267 107.478 108.800 -0.091 0.000 2.682 1179 G HA2 0.586 4.545 3.960 -0.001 0.000 0.300 1179 G HA3 0.586 4.545 3.960 -0.001 0.000 0.300 1179 G C -0.173 174.704 174.900 -0.039 0.000 1.396 1179 G CA 0.251 45.308 45.100 -0.071 0.000 1.104 1179 G HN 1.330 nan 8.290 nan 0.000 0.587 1180 G N 0.799 109.585 108.800 -0.023 0.000 2.441 1180 G HA2 0.457 4.416 3.960 -0.001 0.000 0.243 1180 G HA3 0.457 4.416 3.960 -0.001 0.000 0.243 1180 G C 0.592 175.501 174.900 0.015 0.000 1.281 1180 G CA -0.597 44.506 45.100 0.004 0.000 0.854 1180 G HN 0.926 nan 8.290 nan 0.000 0.560 1181 K N 1.251 121.680 120.400 0.049 0.000 2.034 1181 K HA 0.435 4.754 4.320 -0.001 0.000 0.225 1181 K C 0.391 177.012 176.600 0.035 0.000 1.190 1181 K CA -0.131 56.191 56.287 0.059 0.000 1.152 1181 K CB 0.172 32.746 32.500 0.124 0.000 1.300 1181 K HN 0.366 nan 8.250 nan 0.000 0.268 1182 A N 2.731 125.562 122.820 0.018 0.000 2.327 1182 A HA 0.192 4.511 4.320 -0.001 0.000 0.283 1182 A C -0.568 177.022 177.584 0.011 0.000 1.127 1182 A CA -0.849 51.194 52.037 0.011 0.000 0.810 1182 A CB 0.447 19.448 19.000 0.003 0.000 1.066 1182 A HN 0.625 nan 8.150 nan 0.000 0.492 1183 D N 0.495 120.900 120.400 0.009 0.000 2.304 1183 D HA 0.545 5.184 4.640 -0.001 0.000 0.250 1183 D C 0.499 176.802 176.300 0.004 0.000 1.107 1183 D CA 1.668 55.672 54.000 0.007 0.000 0.885 1183 D CB 1.280 42.083 40.800 0.005 0.000 1.192 1183 D HN 1.113 nan 8.370 nan 0.000 0.436 1184 G N 0.529 109.332 108.800 0.005 0.000 2.453 1184 G HA2 0.401 4.360 3.960 -0.001 0.000 0.665 1184 G HA3 0.401 4.360 3.960 -0.001 0.000 0.665 1184 G C -0.948 173.955 174.900 0.005 0.000 1.411 1184 G CA -0.387 44.715 45.100 0.003 0.000 0.889 1184 G HN 0.848 nan 8.290 nan 0.000 0.651 1185 S N -1.646 114.057 115.700 0.005 0.000 2.552 1185 S HA 0.852 5.321 4.470 -0.001 0.000 0.272 1185 S C -1.422 173.181 174.600 0.006 0.000 1.150 1185 S CA -0.228 57.977 58.200 0.009 0.000 0.849 1185 S CB 2.057 65.264 63.200 0.011 0.000 1.113 1185 S HN 2.289 nan 8.310 nan 0.000 0.458 1186 V N 1.364 121.286 119.914 0.013 0.000 2.686 1186 V HA 0.570 4.689 4.120 -0.001 0.000 0.306 1186 V C -1.174 174.928 176.094 0.013 0.000 1.065 1186 V CA -0.534 61.770 62.300 0.006 0.000 0.894 1186 V CB 1.780 33.609 31.823 0.009 0.000 1.004 1186 V HN 1.160 nan 8.190 nan 0.000 0.424 1187 D N 3.596 123.976 120.400 -0.032 0.000 2.382 1187 D HA 0.163 4.802 4.640 -0.001 0.000 0.245 1187 D C 1.115 177.363 176.300 -0.087 0.000 1.120 1187 D CA 0.140 54.081 54.000 -0.100 0.000 0.890 1187 D CB 0.823 41.496 40.800 -0.212 0.000 1.201 1187 D HN 0.509 nan 8.370 nan 0.000 0.433 1188 F N 1.222 121.175 119.950 0.004 0.000 2.408 1188 F HA 0.150 4.676 4.527 -0.002 0.000 0.300 1188 F C 1.699 177.505 175.800 0.010 0.000 1.090 1188 F CA 0.506 58.510 58.000 0.006 0.000 1.427 1188 F CB -0.467 38.536 39.000 0.005 0.000 1.070 1188 F HN 0.295 nan 8.300 nan 0.000 0.549 1189 G N 0.150 108.720 108.800 -0.384 0.000 3.284 1189 G HA2 0.027 3.986 3.960 -0.001 0.000 0.236 1189 G HA3 0.027 3.986 3.960 -0.001 0.000 0.236 1189 G C 0.122 174.957 174.900 -0.108 0.000 1.158 1189 G CA -0.309 44.674 45.100 -0.196 0.000 0.774 1189 G HN 0.193 nan 8.290 nan 0.000 0.545 1190 E N 1.052 121.198 120.200 -0.090 0.000 2.220 1190 E HA 0.325 4.674 4.350 -0.001 0.000 0.272 1190 E C 1.198 177.788 176.600 -0.016 0.000 1.099 1190 E CA 0.653 57.020 56.400 -0.054 0.000 0.907 1190 E CB 0.727 30.398 29.700 -0.047 0.000 1.022 1190 E HN 0.350 nan 8.360 nan 0.000 0.428 1191 G N 3.099 111.889 108.800 -0.017 0.000 2.148 1191 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 1191 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 1191 G C 0.475 175.384 174.900 0.015 0.000 0.981 1191 G CA 0.196 45.294 45.100 -0.003 0.000 0.670 1191 G HN 0.738 nan 8.290 nan 0.000 0.528 1192 A N -0.504 122.332 122.820 0.028 0.000 2.386 1192 A HA 0.680 4.999 4.320 -0.001 0.000 0.248 1192 A C 1.150 178.770 177.584 0.060 0.000 1.082 1192 A CA 1.034 53.112 52.037 0.069 0.000 0.789 1192 A CB 0.358 19.417 19.000 0.099 0.000 1.025 1192 A HN 0.359 nan 8.150 nan 0.000 0.490 1193 E N 0.150 120.421 120.200 0.119 0.000 2.158 1193 E HA 0.111 4.460 4.350 -0.001 0.000 0.191 1193 E C -0.547 175.940 176.600 -0.188 0.000 0.982 1193 E CA 1.052 57.458 56.400 0.010 0.000 0.823 1193 E CB -0.049 29.717 29.700 0.109 0.000 0.766 1193 E HN 0.619 nan 8.360 nan 0.000 0.468 1194 F N -1.157 118.800 119.950 0.012 0.000 2.639 1194 F HA 0.346 4.872 4.527 -0.002 0.000 0.339 1194 F C 0.053 175.864 175.800 0.018 0.000 1.071 1194 F CA -1.795 56.213 58.000 0.013 0.000 0.994 1194 F CB 0.654 39.663 39.000 0.015 0.000 1.341 1194 F HN -0.285 nan 8.300 nan 0.000 0.498 1195 c N 1.095 119.822 118.600 0.211 0.000 2.596 1195 c HA 0.176 4.745 4.570 -0.001 0.000 0.414 1195 c C 1.559 175.735 174.090 0.142 0.000 1.396 1195 c CA 0.177 56.583 56.329 0.128 0.000 1.698 1195 c CB -0.340 42.229 42.510 0.099 0.000 2.572 1195 c HN 0.866 nan 8.230 nan 0.000 0.604 1196 T N 2.243 116.871 114.554 0.124 0.000 3.023 1196 T HA 0.155 4.504 4.350 -0.001 0.000 0.253 1196 T C 0.655 175.482 174.700 0.212 0.000 1.038 1196 T CA 0.459 62.667 62.100 0.181 0.000 0.962 1196 T CB -0.001 68.972 68.868 0.176 0.000 1.018 1196 T HN 0.674 nan 8.240 nan 0.000 0.521 1197 R N 1.435 122.013 120.500 0.129 0.000 2.774 1197 R HA 0.469 4.808 4.340 -0.001 0.000 0.272 1197 R C -1.328 175.015 176.300 0.073 0.000 1.000 1197 R CA -0.901 55.269 56.100 0.116 0.000 0.906 1197 R CB 1.491 31.845 30.300 0.089 0.000 1.227 1197 R HN 0.188 nan 8.270 nan 0.000 0.468 1198 D N -0.967 119.470 120.400 0.060 0.000 2.539 1198 D HA 0.106 4.745 4.640 -0.001 0.000 0.276 1198 D C -0.100 176.218 176.300 0.030 0.000 1.206 1198 D CA -0.459 53.566 54.000 0.042 0.000 1.081 1198 D CB 0.507 41.328 40.800 0.034 0.000 1.142 1198 D HN 0.305 nan 8.370 nan 0.000 0.595 1199 D N -1.287 119.127 120.400 0.024 0.000 2.328 1199 D HA 0.057 4.696 4.640 -0.001 0.000 0.226 1199 D C 0.151 176.459 176.300 0.013 0.000 1.066 1199 D CA 0.249 54.259 54.000 0.017 0.000 0.861 1199 D CB -0.047 40.762 40.800 0.016 0.000 0.912 1199 D HN 0.255 nan 8.370 nan 0.000 0.521 1200 T N 0.712 115.275 114.554 0.015 0.000 2.899 1200 T HA 0.202 4.551 4.350 -0.001 0.000 0.284 1200 T C -1.634 173.070 174.700 0.007 0.000 1.004 1200 T CA -1.726 60.380 62.100 0.010 0.000 1.043 1200 T CB 1.818 70.692 68.868 0.010 0.000 1.013 1200 T HN -0.185 nan 8.240 nan 0.000 0.518 1201 P HA 0.102 nan 4.420 nan 0.000 0.226 1201 P C 1.261 178.559 177.300 -0.004 0.000 1.153 1201 P CA 0.807 63.905 63.100 -0.004 0.000 0.777 1201 P CB 0.102 31.796 31.700 -0.011 0.000 0.794 1202 M N -2.040 117.560 119.600 -0.001 0.000 2.254 1202 M HA -0.011 4.469 4.480 -0.001 0.000 0.265 1202 M C 1.856 178.164 176.300 0.014 0.000 1.066 1202 M CA 1.598 56.899 55.300 0.001 0.000 1.123 1202 M CB -0.438 32.162 32.600 -0.001 0.000 1.388 1202 M HN -0.100 nan 8.290 nan 0.000 0.425 1203 M N -0.382 119.232 119.600 0.022 0.000 2.502 1203 M HA 0.194 4.673 4.480 -0.001 0.000 0.243 1203 M C 0.493 176.809 176.300 0.028 0.000 1.130 1203 M CA -0.276 55.047 55.300 0.040 0.000 1.055 1203 M CB -0.073 32.561 32.600 0.056 0.000 1.457 1203 M HN 0.090 nan 8.290 nan 0.000 0.488 1204 A N 2.307 125.135 122.820 0.013 0.000 2.522 1204 A HA 0.282 4.601 4.320 -0.001 0.000 0.256 1204 A C 0.154 177.739 177.584 0.000 0.000 1.086 1204 A CA 0.299 52.338 52.037 0.004 0.000 0.763 1204 A CB 0.112 19.111 19.000 -0.001 0.000 1.024 1204 A HN 0.300 nan 8.150 nan 0.000 0.502 1205 R N 2.227 122.723 120.500 -0.006 0.000 2.888 1205 R HA 0.409 4.748 4.340 -0.001 0.000 0.266 1205 R C -2.131 174.159 176.300 -0.017 0.000 1.020 1205 R CA -2.065 54.029 56.100 -0.011 0.000 0.963 1205 R CB 0.112 30.402 30.300 -0.017 0.000 1.197 1205 R HN 0.343 nan 8.270 nan 0.000 0.481 1206 P HA -0.146 nan 4.420 nan 0.000 0.216 1206 P C 0.033 177.319 177.300 -0.023 0.000 1.157 1206 P CA 1.428 64.517 63.100 -0.019 0.000 0.880 1206 P CB 0.274 31.963 31.700 -0.018 0.000 0.791 1207 D N -1.353 119.028 120.400 -0.031 0.000 2.395 1207 D HA 0.126 4.765 4.640 -0.001 0.000 0.226 1207 D C 0.325 176.600 176.300 -0.041 0.000 1.146 1207 D CA 0.302 54.281 54.000 -0.036 0.000 0.830 1207 D CB -0.065 40.709 40.800 -0.042 0.000 0.958 1207 D HN 0.101 nan 8.370 nan 0.000 0.501 1208 S N -1.122 114.558 115.700 -0.034 0.000 2.645 1208 S HA 0.505 4.974 4.470 -0.001 0.000 0.266 1208 S C 1.432 176.019 174.600 -0.023 0.000 1.258 1208 S CA 0.221 58.403 58.200 -0.031 0.000 0.990 1208 S CB 1.618 64.806 63.200 -0.020 0.000 0.967 1208 S HN 0.392 nan 8.310 nan 0.000 0.556 1209 G N 0.681 109.470 108.800 -0.018 0.000 2.179 1209 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.220 1209 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.220 1209 G C -0.170 174.720 174.900 -0.016 0.000 0.990 1209 G CA 0.123 45.215 45.100 -0.014 0.000 0.646 1209 G HN 0.780 nan 8.290 nan 0.000 0.517 1210 E N 0.678 120.866 120.200 -0.021 0.000 2.349 1210 E HA 0.684 5.034 4.350 -0.001 0.000 0.265 1210 E C 0.647 177.235 176.600 -0.020 0.000 1.064 1210 E CA -0.323 56.063 56.400 -0.023 0.000 0.886 1210 E CB 1.307 30.990 29.700 -0.029 0.000 1.036 1210 E HN 0.967 nan 8.360 nan 0.000 0.413 1211 A N 1.681 124.488 122.820 -0.022 0.000 2.498 1211 A HA 0.351 4.670 4.320 -0.001 0.000 0.239 1211 A C 0.257 177.823 177.584 -0.030 0.000 1.068 1211 A CA -0.022 52.002 52.037 -0.023 0.000 0.766 1211 A CB -0.589 18.396 19.000 -0.025 0.000 1.003 1211 A HN 0.877 nan 8.150 nan 0.000 0.497 1212 c N 0.276 118.860 118.600 -0.027 0.000 3.321 1212 c HA 0.683 5.252 4.570 -0.001 0.000 0.329 1212 c C -0.820 173.247 174.090 -0.039 0.000 1.394 1212 c CA -0.976 55.330 56.329 -0.038 0.000 1.291 1212 c CB 1.227 43.730 42.510 -0.012 0.000 1.606 1212 c HN 0.823 nan 8.230 nan 0.000 0.463 1213 D N 0.841 121.191 120.400 -0.083 0.000 2.339 1213 D HA 0.159 4.798 4.640 -0.001 0.000 0.241 1213 D C 0.120 176.492 176.300 0.119 0.000 1.183 1213 D CA 0.612 54.574 54.000 -0.063 0.000 0.859 1213 D CB 1.212 41.804 40.800 -0.348 0.000 1.067 1213 D HN 0.735 nan 8.370 nan 0.000 0.484 1214 Q N 3.118 122.987 119.800 0.114 0.000 2.225 1214 Q HA 0.061 4.400 4.340 -0.001 0.000 0.222 1214 Q C -0.325 175.765 176.000 0.149 0.000 0.887 1214 Q CA -0.085 55.795 55.803 0.128 0.000 0.958 1214 Q CB -0.460 28.320 28.738 0.071 0.000 1.058 1214 Q HN 0.559 nan 8.270 nan 0.000 0.459 1215 N N -0.459 118.390 118.700 0.250 0.000 2.714 1215 N HA -0.217 4.522 4.740 -0.001 0.000 0.250 1215 N C -0.092 175.475 175.510 0.094 0.000 1.117 1215 N CA 0.797 53.950 53.050 0.171 0.000 0.719 1215 N CB -0.415 38.102 38.487 0.049 0.000 1.081 1215 N HN 0.302 nan 8.380 nan 0.000 0.557 1216 R N -0.535 120.020 120.500 0.091 0.000 2.362 1216 R HA 0.386 4.725 4.340 -0.001 0.000 0.227 1216 R C 1.292 177.624 176.300 0.054 0.000 0.905 1216 R CA 0.783 56.917 56.100 0.056 0.000 1.067 1216 R CB 0.562 30.888 30.300 0.043 0.000 1.078 1216 R HN 0.285 nan 8.270 nan 0.000 0.516 1217 A N 0.359 123.225 122.820 0.077 0.000 2.469 1217 A HA 0.513 4.832 4.320 -0.001 0.000 0.245 1217 A C 0.682 178.311 177.584 0.074 0.000 1.221 1217 A CA 0.263 52.339 52.037 0.065 0.000 0.946 1217 A CB 0.462 19.499 19.000 0.061 0.000 1.049 1217 A HN 0.311 nan 8.150 nan 0.000 0.529 1218 G N -1.109 107.740 108.800 0.082 0.000 2.631 1218 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.504 1218 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.504 1218 G C -0.093 174.868 174.900 0.101 0.000 1.306 1218 G CA -0.443 44.694 45.100 0.063 0.000 0.897 1218 G HN 0.561 nan 8.290 nan 0.000 0.520 1219 T N 0.503 115.087 114.554 0.050 0.000 2.903 1219 T HA 0.376 4.725 4.350 -0.001 0.000 0.314 1219 T C 2.033 176.820 174.700 0.146 0.000 1.078 1219 T CA 0.724 62.853 62.100 0.048 0.000 1.114 1219 T CB 0.894 69.763 68.868 0.002 0.000 0.987 1219 T HN 0.893 nan 8.240 nan 0.000 0.548 1220 S N 1.228 117.061 115.700 0.222 0.000 2.365 1220 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 1220 S C 2.009 176.671 174.600 0.104 0.000 1.039 1220 S CA 1.473 59.801 58.200 0.214 0.000 1.033 1220 S CB -0.249 63.080 63.200 0.215 0.000 0.887 1220 S HN 0.795 nan 8.310 nan 0.000 0.447 1221 E N 0.641 120.884 120.200 0.072 0.000 2.072 1221 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 1221 E C 2.183 178.805 176.600 0.037 0.000 0.985 1221 E CA 0.920 57.347 56.400 0.044 0.000 0.801 1221 E CB -0.075 29.643 29.700 0.029 0.000 0.750 1221 E HN 0.550 nan 8.360 nan 0.000 0.452 1222 Q N 0.004 119.828 119.800 0.039 0.000 2.124 1222 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 1222 Q C 2.259 178.280 176.000 0.035 0.000 0.977 1222 Q CA 1.638 57.460 55.803 0.032 0.000 0.850 1222 Q CB 0.023 28.779 28.738 0.030 0.000 0.901 1222 Q HN 0.363 nan 8.270 nan 0.000 0.429 1223 Q N -0.779 119.051 119.800 0.049 0.000 2.083 1223 Q HA -0.083 4.256 4.340 -0.001 0.000 0.198 1223 Q C 2.187 178.204 176.000 0.028 0.000 0.969 1223 Q CA 1.162 56.990 55.803 0.042 0.000 0.838 1223 Q CB -0.180 28.591 28.738 0.056 0.000 0.900 1223 Q HN 0.480 nan 8.270 nan 0.000 0.436 1224 G N 0.884 109.702 108.800 0.030 0.000 2.432 1224 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.219 1224 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.219 1224 G C 0.949 175.859 174.900 0.016 0.000 1.135 1224 G CA 1.186 46.298 45.100 0.020 0.000 0.767 1224 G HN 0.329 nan 8.290 nan 0.000 0.550 1225 D N -0.261 120.149 120.400 0.018 0.000 2.123 1225 D HA -0.072 4.568 4.640 -0.001 0.000 0.200 1225 D C 2.317 178.624 176.300 0.011 0.000 0.976 1225 D CA 0.471 54.478 54.000 0.013 0.000 0.831 1225 D CB -0.192 40.615 40.800 0.013 0.000 0.974 1225 D HN 0.127 nan 8.370 nan 0.000 0.469 1226 L N 0.338 121.569 121.223 0.014 0.000 1.989 1226 L HA -0.135 4.204 4.340 -0.001 0.000 0.211 1226 L C 2.316 179.191 176.870 0.009 0.000 1.071 1226 L CA 2.219 57.066 54.840 0.012 0.000 0.749 1226 L CB -1.382 40.685 42.059 0.015 0.000 0.890 1226 L HN 0.090 nan 8.230 nan 0.000 0.431 1227 S N -0.872 114.833 115.700 0.009 0.000 2.359 1227 S HA -0.265 4.204 4.470 -0.001 0.000 0.224 1227 S C 2.153 176.756 174.600 0.004 0.000 1.035 1227 S CA 1.698 59.902 58.200 0.006 0.000 1.018 1227 S CB -0.355 62.848 63.200 0.005 0.000 0.876 1227 S HN 0.537 nan 8.310 nan 0.000 0.448 1228 K N 0.001 120.404 120.400 0.005 0.000 2.365 1228 K HA 0.102 4.421 4.320 -0.001 0.000 0.199 1228 K C 2.123 178.725 176.600 0.004 0.000 1.045 1228 K CA 0.547 56.837 56.287 0.004 0.000 0.962 1228 K CB -0.033 32.470 32.500 0.005 0.000 0.759 1228 K HN 0.321 nan 8.250 nan 0.000 0.469 1229 R N -0.227 120.276 120.500 0.005 0.000 2.310 1229 R HA -0.003 4.336 4.340 -0.001 0.000 0.202 1229 R C 1.313 177.615 176.300 0.003 0.000 0.933 1229 R CA 1.042 57.145 56.100 0.004 0.000 1.054 1229 R CB 0.421 30.724 30.300 0.005 0.000 0.985 1229 R HN 0.193 nan 8.270 nan 0.000 0.489 1230 T N -2.099 112.457 114.554 0.003 0.000 3.003 1230 T HA 0.037 4.386 4.350 -0.001 0.000 0.261 1230 T C 1.489 176.190 174.700 0.001 0.000 1.003 1230 T CA -0.431 61.670 62.100 0.003 0.000 0.917 1230 T CB 0.323 69.193 68.868 0.003 0.000 1.084 1230 T HN 0.052 nan 8.240 nan 0.000 0.522 1231 K N 1.741 122.141 120.400 0.001 0.000 2.728 1231 K HA -0.373 3.946 4.320 -0.001 0.000 0.202 1231 K C 0.716 177.316 176.600 -0.000 0.000 0.892 1231 K CA 1.858 58.145 56.287 0.000 0.000 0.885 1231 K CB -1.302 31.198 32.500 0.000 0.000 1.360 1231 K HN 0.405 nan 8.250 nan 0.000 0.539 1232 K N 0.000 120.400 120.400 0.000 0.000 2.780 1232 K HA 0.000 4.319 4.320 -0.001 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