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 2c3m_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 0.000 174.917 174.900 0.029 0.000 0.946 2 G CA 0.000 45.114 45.100 0.023 0.000 0.502 3 K N 0.165 120.572 120.400 0.011 0.000 2.312 3 K HA 0.738 5.057 4.320 -0.001 0.000 0.236 3 K C -0.935 175.649 176.600 -0.028 0.000 1.079 3 K CA -0.764 55.522 56.287 -0.002 0.000 0.900 3 K CB 2.068 34.563 32.500 -0.007 0.000 1.297 3 K HN 0.656 nan 8.250 nan 0.000 0.498 4 K N -0.107 120.260 120.400 -0.055 0.000 2.622 4 K HA 0.231 4.550 4.320 -0.001 0.000 0.263 4 K C -1.232 175.312 176.600 -0.095 0.000 0.947 4 K CA -0.803 55.442 56.287 -0.070 0.000 0.885 4 K CB 0.818 33.274 32.500 -0.074 0.000 1.362 4 K HN 0.252 nan 8.250 nan 0.000 0.413 5 M N 3.191 122.742 119.600 -0.081 0.000 2.228 5 M HA 0.442 4.921 4.480 -0.001 0.000 0.326 5 M C -0.034 176.213 176.300 -0.088 0.000 1.122 5 M CA -0.008 55.242 55.300 -0.084 0.000 1.161 5 M CB 0.508 33.065 32.600 -0.072 0.000 1.437 5 M HN 0.962 nan 8.290 nan 0.000 0.465 6 M N 1.432 120.985 119.600 -0.080 0.000 2.415 6 M HA 0.278 4.758 4.480 -0.001 0.000 0.292 6 M C -1.513 174.765 176.300 -0.036 0.000 1.107 6 M CA -0.384 54.874 55.300 -0.070 0.000 0.927 6 M CB 2.054 34.583 32.600 -0.118 0.000 1.808 6 M HN 0.775 nan 8.290 nan 0.000 0.509 7 T N 1.476 116.026 114.554 -0.007 0.000 2.743 7 T HA 0.840 5.190 4.350 -0.001 0.000 0.292 7 T C -0.269 174.448 174.700 0.028 0.000 0.972 7 T CA 0.201 62.315 62.100 0.023 0.000 0.967 7 T CB 0.874 69.772 68.868 0.050 0.000 0.926 7 T HN 0.896 nan 8.240 nan 0.000 0.459 8 T N 0.132 114.704 114.554 0.031 0.000 2.665 8 T HA 0.622 4.971 4.350 -0.001 0.000 0.303 8 T C -1.464 173.264 174.700 0.047 0.000 1.334 8 T CA -0.941 61.182 62.100 0.039 0.000 1.011 8 T CB 1.211 70.099 68.868 0.033 0.000 1.573 8 T HN 0.662 nan 8.240 nan 0.000 0.492 9 D N -0.815 119.610 120.400 0.042 0.000 2.440 9 D HA 0.529 5.169 4.640 -0.001 0.000 0.258 9 D C 1.663 177.973 176.300 0.016 0.000 1.092 9 D CA -0.238 53.791 54.000 0.049 0.000 1.016 9 D CB 0.190 41.011 40.800 0.036 0.000 1.141 9 D HN 0.787 nan 8.370 nan 0.000 0.552 10 G N -0.295 108.515 108.800 0.016 0.000 2.440 10 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.218 10 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.218 10 G C 1.243 176.035 174.900 -0.180 0.000 1.154 10 G CA 0.831 45.842 45.100 -0.149 0.000 0.767 10 G HN 0.651 nan 8.290 nan 0.000 0.552 11 N N 0.005 118.727 118.700 0.036 0.000 2.043 11 N HA -0.159 4.580 4.740 -0.001 0.000 0.193 11 N C 2.587 178.105 175.510 0.013 0.000 1.037 11 N CA 2.036 55.135 53.050 0.083 0.000 0.851 11 N CB -0.231 38.246 38.487 -0.017 0.000 1.027 11 N HN 0.460 nan 8.380 nan 0.000 0.422 12 T N -1.171 113.389 114.554 0.011 0.000 2.788 12 T HA 0.005 4.354 4.350 -0.001 0.000 0.268 12 T C 1.980 176.800 174.700 0.201 0.000 1.044 12 T CA 1.011 63.175 62.100 0.106 0.000 1.139 12 T CB -0.428 68.503 68.868 0.104 0.000 0.867 12 T HN 0.210 nan 8.240 nan 0.000 0.454 13 A N 1.955 124.837 122.820 0.104 0.000 1.902 13 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 13 A C 2.735 180.429 177.584 0.182 0.000 1.181 13 A CA 2.373 54.490 52.037 0.133 0.000 0.623 13 A CB -1.415 17.619 19.000 0.056 0.000 0.818 13 A HN 0.692 nan 8.150 nan 0.000 0.443 14 T N -2.533 112.063 114.554 0.071 0.000 2.978 14 T HA 0.233 4.582 4.350 -0.001 0.000 0.262 14 T C 1.887 176.646 174.700 0.097 0.000 1.063 14 T CA 1.453 63.592 62.100 0.065 0.000 1.140 14 T CB -0.358 68.571 68.868 0.102 0.000 0.886 14 T HN 0.495 nan 8.240 nan 0.000 0.470 15 A N 1.328 124.246 122.820 0.164 0.000 1.969 15 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 15 A C 2.326 180.247 177.584 0.562 0.000 1.169 15 A CA 1.646 53.831 52.037 0.246 0.000 0.635 15 A CB -1.312 17.700 19.000 0.019 0.000 0.810 15 A HN 0.808 nan 8.150 nan 0.000 0.445 16 H N 0.050 119.396 119.070 0.459 0.000 2.319 16 H HA -0.134 4.422 4.556 -0.001 0.000 0.297 16 H C 1.925 177.399 175.328 0.243 0.000 1.097 16 H CA 2.325 58.574 56.048 0.334 0.000 1.285 16 H CB 0.006 29.907 29.762 0.233 0.000 1.368 16 H HN 0.260 nan 8.280 nan 0.000 0.495 17 V N 1.213 121.189 119.914 0.105 0.000 2.323 17 V HA -0.169 3.950 4.120 -0.001 0.000 0.244 17 V C 3.133 179.114 176.094 -0.189 0.000 1.041 17 V CA 1.357 63.572 62.300 -0.142 0.000 1.025 17 V CB -1.219 30.519 31.823 -0.143 0.000 0.656 17 V HN 0.578 nan 8.190 nan 0.000 0.451 18 A N -0.718 122.111 122.820 0.015 0.000 1.917 18 A HA -0.318 4.001 4.320 -0.001 0.000 0.219 18 A C 2.174 179.811 177.584 0.088 0.000 1.182 18 A CA 2.380 54.494 52.037 0.129 0.000 0.633 18 A CB -0.904 18.355 19.000 0.431 0.000 0.819 18 A HN 0.637 nan 8.150 nan 0.000 0.448 19 Y N 0.341 120.720 120.300 0.131 0.000 2.128 19 Y HA -0.153 4.397 4.550 -0.001 0.000 0.284 19 Y C 2.740 178.570 175.900 -0.116 0.000 1.154 19 Y CA 1.691 59.886 58.100 0.159 0.000 1.149 19 Y CB -0.409 38.291 38.460 0.402 0.000 0.976 19 Y HN 0.332 nan 8.280 nan 0.000 0.505 20 A N -0.162 122.464 122.820 -0.323 0.000 1.902 20 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 20 A C 1.943 179.221 177.584 -0.510 0.000 1.181 20 A CA 1.973 53.524 52.037 -0.811 0.000 0.623 20 A CB -0.536 17.398 19.000 -1.778 0.000 0.818 20 A HN 0.481 nan 8.150 nan 0.000 0.443 21 M N 0.263 119.564 119.600 -0.498 0.000 2.561 21 M HA 0.185 4.664 4.480 -0.001 0.000 0.238 21 M C -0.059 176.127 176.300 -0.191 0.000 1.131 21 M CA 0.320 55.355 55.300 -0.442 0.000 1.046 21 M CB -0.865 31.264 32.600 -0.784 0.000 1.532 21 M HN 0.176 nan 8.290 nan 0.000 0.497 22 S N -0.139 115.490 115.700 -0.117 0.000 2.568 22 S HA 0.400 4.869 4.470 -0.001 0.000 0.302 22 S C 0.719 175.343 174.600 0.039 0.000 1.082 22 S CA -0.716 57.496 58.200 0.020 0.000 1.009 22 S CB 2.537 65.756 63.200 0.033 0.000 1.069 22 S HN 0.232 nan 8.310 nan 0.000 0.500 23 E N 0.259 120.496 120.200 0.062 0.000 2.290 23 E HA 0.207 4.556 4.350 -0.001 0.000 0.197 23 E C -0.352 176.244 176.600 -0.006 0.000 0.948 23 E CA 0.376 56.786 56.400 0.017 0.000 0.895 23 E CB 0.558 30.227 29.700 -0.051 0.000 0.865 23 E HN 0.269 nan 8.360 nan 0.000 0.486 24 V N 0.498 120.420 119.914 0.014 0.000 2.876 24 V HA 0.693 4.812 4.120 -0.001 0.000 0.312 24 V C -1.257 174.847 176.094 0.017 0.000 1.085 24 V CA -0.945 61.364 62.300 0.016 0.000 0.945 24 V CB 1.935 33.774 31.823 0.026 0.000 1.017 24 V HN 0.113 nan 8.190 nan 0.000 0.428 25 A N 2.729 125.557 122.820 0.014 0.000 2.414 25 A HA 0.891 5.210 4.320 -0.001 0.000 0.286 25 A C -0.473 177.105 177.584 -0.010 0.000 1.073 25 A CA -0.133 51.899 52.037 -0.008 0.000 0.727 25 A CB 1.415 20.442 19.000 0.043 0.000 1.215 25 A HN 1.447 nan 8.150 nan 0.000 0.430 26 A N 3.385 126.180 122.820 -0.041 0.000 2.249 26 A HA 0.766 5.085 4.320 -0.001 0.000 0.314 26 A C 0.003 177.553 177.584 -0.056 0.000 1.290 26 A CA -0.396 51.620 52.037 -0.035 0.000 0.893 26 A CB -0.178 18.809 19.000 -0.022 0.000 1.165 26 A HN 1.599 nan 8.150 nan 0.000 0.530 27 I N -1.194 119.352 120.570 -0.040 0.000 3.239 27 I HA 0.897 5.067 4.170 -0.001 0.000 0.314 27 I C -1.285 174.867 176.117 0.057 0.000 1.126 27 I CA -1.236 60.060 61.300 -0.007 0.000 0.973 27 I CB 2.242 40.251 38.000 0.016 0.000 1.252 27 I HN 0.535 nan 8.210 nan 0.000 0.463 28 Y N 2.005 122.275 120.300 -0.050 0.000 2.480 28 Y HA 0.538 5.087 4.550 -0.001 0.000 0.329 28 Y C -2.879 173.070 175.900 0.080 0.000 1.127 28 Y CA -1.662 56.445 58.100 0.011 0.000 1.037 28 Y CB 2.369 40.856 38.460 0.044 0.000 1.320 28 Y HN 0.461 nan 8.280 nan 0.000 0.446 29 P HA 0.493 nan 4.420 nan 0.000 0.280 29 P C -1.121 176.176 177.300 -0.006 0.000 1.244 29 P CA -0.050 63.009 63.100 -0.069 0.000 0.784 29 P CB 2.133 33.832 31.700 -0.002 0.000 0.913 30 I N 1.032 121.625 120.570 0.039 0.000 2.715 30 I HA 0.132 4.301 4.170 -0.001 0.000 0.288 30 I C -0.657 175.451 176.117 -0.015 0.000 1.371 30 I CA -0.321 60.996 61.300 0.028 0.000 1.056 30 I CB 2.047 40.097 38.000 0.083 0.000 1.339 30 I HN 0.179 nan 8.210 nan 0.000 0.425 31 T N 8.891 123.415 114.554 -0.051 0.000 2.928 31 T HA 0.197 4.546 4.350 -0.001 0.000 0.305 31 T C -2.076 172.546 174.700 -0.130 0.000 1.035 31 T CA -0.428 61.615 62.100 -0.096 0.000 1.145 31 T CB 0.550 69.368 68.868 -0.084 0.000 0.963 31 T HN 0.486 nan 8.240 nan 0.000 0.545 32 P HA 0.174 nan 4.420 nan 0.000 0.266 32 P C 0.733 177.969 177.300 -0.108 0.000 1.561 32 P CA -0.195 62.699 63.100 -0.343 0.000 1.089 32 P CB 0.129 31.246 31.700 -0.971 0.000 1.534 33 S N -2.140 113.522 115.700 -0.063 0.000 2.548 33 S HA 0.032 4.501 4.470 -0.001 0.000 0.215 33 S C 1.763 176.360 174.600 -0.005 0.000 0.976 33 S CA 0.241 58.438 58.200 -0.005 0.000 0.908 33 S CB -0.794 62.433 63.200 0.045 0.000 0.781 33 S HN -0.028 nan 8.310 nan 0.000 0.519 34 S N 2.481 118.177 115.700 -0.007 0.000 2.389 34 S HA -0.173 4.296 4.470 -0.001 0.000 0.231 34 S C 1.950 176.517 174.600 -0.055 0.000 1.052 34 S CA 2.123 60.327 58.200 0.006 0.000 1.053 34 S CB -1.197 62.004 63.200 0.001 0.000 0.886 34 S HN 0.739 nan 8.310 nan 0.000 0.456 35 T N 2.568 117.054 114.554 -0.114 0.000 2.699 35 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 35 T C 1.774 176.306 174.700 -0.281 0.000 1.036 35 T CA 1.522 63.505 62.100 -0.195 0.000 1.147 35 T CB -0.404 68.328 68.868 -0.227 0.000 0.862 35 T HN 0.372 nan 8.240 nan 0.000 0.446 36 M N 0.650 120.048 119.600 -0.336 0.000 2.080 36 M HA -0.065 4.414 4.480 -0.001 0.000 0.260 36 M C 2.819 178.680 176.300 -0.731 0.000 1.068 36 M CA 1.918 56.824 55.300 -0.658 0.000 1.109 36 M CB -0.873 31.123 32.600 -1.007 0.000 1.342 36 M HN 0.409 nan 8.290 nan 0.000 0.405 37 G N -0.052 108.502 108.800 -0.409 0.000 2.422 37 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.218 37 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.218 37 G C 1.328 176.300 174.900 0.120 0.000 1.146 37 G CA 0.738 45.880 45.100 0.070 0.000 0.769 37 G HN 0.511 nan 8.290 nan 0.000 0.547 38 E N 0.184 120.339 120.200 -0.074 0.000 2.106 38 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 38 E C 2.457 178.815 176.600 -0.403 0.000 0.984 38 E CA 0.702 56.905 56.400 -0.329 0.000 0.806 38 E CB 0.007 29.492 29.700 -0.358 0.000 0.750 38 E HN 0.328 nan 8.360 nan 0.000 0.458 39 E N 0.640 120.526 120.200 -0.523 0.000 2.077 39 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 39 E C 2.113 178.025 176.600 -1.146 0.000 0.989 39 E CA 0.975 56.810 56.400 -0.943 0.000 0.800 39 E CB -0.189 28.834 29.700 -1.128 0.000 0.746 39 E HN 0.222 nan 8.360 nan 0.000 0.452 40 A N 1.367 123.828 122.820 -0.599 0.000 1.933 40 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 40 A C 1.986 179.656 177.584 0.143 0.000 1.175 40 A CA 2.039 54.066 52.037 -0.015 0.000 0.628 40 A CB -0.592 18.586 19.000 0.296 0.000 0.814 40 A HN 0.219 nan 8.150 nan 0.000 0.444 41 D N -0.438 119.989 120.400 0.045 0.000 2.117 41 D HA -0.135 4.504 4.640 -0.001 0.000 0.198 41 D C 1.323 177.633 176.300 0.015 0.000 0.982 41 D CA 1.396 55.453 54.000 0.095 0.000 0.828 41 D CB -0.069 40.752 40.800 0.035 0.000 0.967 41 D HN 0.365 nan 8.370 nan 0.000 0.464 42 D N -0.392 119.925 120.400 -0.138 0.000 2.097 42 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 42 D C 1.876 178.227 176.300 0.085 0.000 0.989 42 D CA 0.693 54.641 54.000 -0.086 0.000 0.827 42 D CB -0.393 40.293 40.800 -0.189 0.000 0.966 42 D HN 0.449 nan 8.370 nan 0.000 0.456 43 W N 1.505 122.777 121.300 -0.048 0.000 2.363 43 W HA 0.053 4.712 4.660 -0.001 0.000 0.296 43 W C 2.549 179.038 176.519 -0.050 0.000 1.212 43 W CA 0.496 57.745 57.345 -0.160 0.000 1.260 43 W CB -1.295 27.886 29.460 -0.466 0.000 1.131 43 W HN -0.038 nan 8.180 nan 0.000 0.530 44 A N 0.608 123.649 122.820 0.368 0.000 1.877 44 A HA -0.004 4.316 4.320 -0.001 0.000 0.216 44 A C 2.264 179.982 177.584 0.223 0.000 1.186 44 A CA 2.740 55.011 52.037 0.389 0.000 0.620 44 A CB -1.139 18.089 19.000 0.380 0.000 0.822 44 A HN 0.120 nan 8.150 nan 0.000 0.443 45 A N -0.798 122.120 122.820 0.164 0.000 1.969 45 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 45 A C 2.024 179.674 177.584 0.111 0.000 1.169 45 A CA 1.541 53.645 52.037 0.111 0.000 0.635 45 A CB -0.494 18.550 19.000 0.074 0.000 0.810 45 A HN 0.660 nan 8.150 nan 0.000 0.445 46 Q N -1.781 118.093 119.800 0.123 0.000 2.435 46 Q HA 0.199 4.538 4.340 -0.001 0.000 0.207 46 Q C 1.138 177.183 176.000 0.076 0.000 0.956 46 Q CA 0.504 56.366 55.803 0.098 0.000 0.917 46 Q CB 0.029 28.830 28.738 0.105 0.000 0.997 46 Q HN 0.896 nan 8.270 nan 0.000 0.497 47 G N 1.479 110.337 108.800 0.098 0.000 2.163 47 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.213 47 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.213 47 G C -0.007 174.941 174.900 0.079 0.000 0.991 47 G CA -0.141 45.011 45.100 0.087 0.000 0.653 47 G HN 0.251 nan 8.290 nan 0.000 0.518 48 R N 0.782 121.318 120.500 0.061 0.000 2.537 48 R HA 0.466 4.806 4.340 -0.001 0.000 0.280 48 R C 0.087 176.531 176.300 0.241 0.000 1.058 48 R CA 0.205 56.299 56.100 -0.010 0.000 1.057 48 R CB 0.369 30.487 30.300 -0.302 0.000 0.973 48 R HN 0.013 nan 8.270 nan 0.000 0.438 49 K N 2.769 123.317 120.400 0.247 0.000 2.208 49 K HA 0.215 4.535 4.320 -0.001 0.000 0.247 49 K C -0.285 176.598 176.600 0.473 0.000 0.953 49 K CA -0.975 55.519 56.287 0.345 0.000 0.837 49 K CB 1.503 34.119 32.500 0.195 0.000 1.131 49 K HN 0.727 nan 8.250 nan 0.000 0.431 50 N N 0.501 119.411 118.700 0.349 0.000 2.381 50 N HA 0.095 4.834 4.740 -0.001 0.000 0.289 50 N C 1.250 176.787 175.510 0.044 0.000 1.288 50 N CA -0.392 52.762 53.050 0.174 0.000 0.960 50 N CB -0.096 38.411 38.487 0.034 0.000 1.116 50 N HN 0.648 nan 8.380 nan 0.000 0.557 51 I N -4.572 115.855 120.570 -0.239 0.000 3.083 51 I HA 0.058 4.228 4.170 -0.001 0.000 0.273 51 I C 0.244 176.109 176.117 -0.422 0.000 1.297 51 I CA 1.073 62.151 61.300 -0.371 0.000 1.452 51 I CB -0.586 37.062 38.000 -0.586 0.000 1.078 51 I HN 0.199 nan 8.210 nan 0.000 0.484 52 F N 1.979 121.937 119.950 0.014 0.000 2.727 52 F HA 0.457 4.983 4.527 -0.001 0.000 0.302 52 F C 1.878 177.702 175.800 0.040 0.000 1.097 52 F CA 0.384 58.398 58.000 0.023 0.000 1.330 52 F CB 0.379 39.388 39.000 0.015 0.000 1.084 52 F HN 0.256 nan 8.300 nan 0.000 0.578 53 G N 0.170 109.073 108.800 0.171 0.000 2.143 53 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.248 53 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.248 53 G C 0.059 175.053 174.900 0.156 0.000 0.991 53 G CA -0.217 44.969 45.100 0.144 0.000 0.689 53 G HN 0.246 nan 8.290 nan 0.000 0.522 54 Q N 0.448 120.361 119.800 0.189 0.000 2.297 54 Q HA 0.630 4.969 4.340 -0.001 0.000 0.268 54 Q C 0.596 176.700 176.000 0.174 0.000 1.045 54 Q CA 0.124 56.021 55.803 0.157 0.000 0.861 54 Q CB 1.424 30.242 28.738 0.133 0.000 1.344 54 Q HN 0.602 nan 8.270 nan 0.000 0.452 55 T N -1.585 113.064 114.554 0.158 0.000 2.897 55 T HA 0.392 4.742 4.350 -0.001 0.000 0.294 55 T C 0.279 175.041 174.700 0.104 0.000 1.004 55 T CA -0.816 61.410 62.100 0.211 0.000 1.106 55 T CB 0.528 69.513 68.868 0.194 0.000 0.949 55 T HN 0.394 nan 8.240 nan 0.000 0.520 56 L N 3.106 124.332 121.223 0.005 0.000 2.455 56 L HA 0.278 4.617 4.340 -0.001 0.000 0.272 56 L C 0.442 177.320 176.870 0.013 0.000 1.174 56 L CA 0.607 55.355 54.840 -0.154 0.000 0.869 56 L CB 0.389 42.144 42.059 -0.507 0.000 1.130 56 L HN 0.866 nan 8.230 nan 0.000 0.474 57 T N 7.287 121.846 114.554 0.008 0.000 2.739 57 T HA 0.450 4.800 4.350 -0.001 0.000 0.298 57 T C 0.104 174.829 174.700 0.042 0.000 0.929 57 T CA 0.067 62.187 62.100 0.033 0.000 1.014 57 T CB -0.466 68.413 68.868 0.018 0.000 0.914 57 T HN 0.380 nan 8.240 nan 0.000 0.509 58 I N 3.989 124.602 120.570 0.072 0.000 2.441 58 I HA 0.567 4.736 4.170 -0.001 0.000 0.295 58 I C 0.198 176.342 176.117 0.046 0.000 0.994 58 I CA -1.012 60.337 61.300 0.080 0.000 1.144 58 I CB 1.255 39.348 38.000 0.156 0.000 1.314 58 I HN 0.203 nan 8.210 nan 0.000 0.445 59 R N 4.048 124.551 120.500 0.004 0.000 2.604 59 R HA 0.494 4.833 4.340 -0.001 0.000 0.281 59 R C -1.325 174.924 176.300 -0.085 0.000 1.020 59 R CA -1.052 55.032 56.100 -0.026 0.000 0.899 59 R CB 2.202 32.497 30.300 -0.009 0.000 1.205 59 R HN 0.493 nan 8.270 nan 0.000 0.450 60 E N 2.385 122.510 120.200 -0.126 0.000 2.175 60 E HA 0.406 4.756 4.350 -0.001 0.000 0.278 60 E C 0.313 176.905 176.600 -0.014 0.000 0.969 60 E CA -0.469 55.832 56.400 -0.165 0.000 0.796 60 E CB 1.104 30.604 29.700 -0.334 0.000 1.104 60 E HN 0.196 nan 8.360 nan 0.000 0.395 61 M N 1.919 121.567 119.600 0.080 0.000 2.513 61 M HA 0.151 4.630 4.480 -0.001 0.000 0.250 61 M C 1.306 177.724 176.300 0.197 0.000 1.145 61 M CA -0.470 54.886 55.300 0.093 0.000 0.948 61 M CB 0.332 32.951 32.600 0.031 0.000 1.405 61 M HN 0.553 nan 8.290 nan 0.000 0.546 62 Q N 0.735 120.572 119.800 0.062 0.000 2.424 62 Q HA 0.081 4.420 4.340 -0.001 0.000 0.204 62 Q C -0.203 175.616 176.000 -0.301 0.000 0.933 62 Q CA 0.593 56.431 55.803 0.058 0.000 0.929 62 Q CB 0.300 29.044 28.738 0.011 0.000 1.037 62 Q HN 0.747 nan 8.270 nan 0.000 0.511 63 S N -1.542 113.764 115.700 -0.657 0.000 2.643 63 S HA 0.265 4.735 4.470 -0.001 0.000 0.266 63 S C -0.305 173.894 174.600 -0.669 0.000 1.130 63 S CA -0.419 57.066 58.200 -1.192 0.000 0.817 63 S CB 0.556 63.411 63.200 -0.575 0.000 1.107 63 S HN -0.052 nan 8.310 nan 0.000 0.471 64 E N 0.764 120.690 120.200 -0.456 0.000 2.204 64 E HA 0.150 4.500 4.350 -0.001 0.000 0.194 64 E C 2.090 178.615 176.600 -0.125 0.000 0.989 64 E CA 1.465 57.770 56.400 -0.158 0.000 0.824 64 E CB -0.454 29.207 29.700 -0.064 0.000 0.756 64 E HN 0.698 nan 8.360 nan 0.000 0.477 65 A N 0.441 123.177 122.820 -0.140 0.000 1.898 65 A HA -0.043 4.277 4.320 -0.001 0.000 0.216 65 A C 2.395 179.942 177.584 -0.061 0.000 1.181 65 A CA 1.607 53.596 52.037 -0.079 0.000 0.620 65 A CB -1.043 17.908 19.000 -0.083 0.000 0.819 65 A HN 0.362 nan 8.150 nan 0.000 0.442 66 G N -0.589 108.152 108.800 -0.097 0.000 2.408 66 G HA2 0.064 4.023 3.960 -0.001 0.000 0.217 66 G HA3 0.064 4.023 3.960 -0.001 0.000 0.217 66 G C 1.722 176.602 174.900 -0.033 0.000 1.150 66 G CA 1.310 46.375 45.100 -0.059 0.000 0.776 66 G HN 0.742 nan 8.290 nan 0.000 0.542 67 A N 1.310 124.101 122.820 -0.050 0.000 1.877 67 A HA 0.263 4.582 4.320 -0.001 0.000 0.216 67 A C 2.825 180.392 177.584 -0.029 0.000 1.186 67 A CA 2.275 54.289 52.037 -0.037 0.000 0.620 67 A CB -0.861 18.111 19.000 -0.046 0.000 0.822 67 A HN 0.769 nan 8.150 nan 0.000 0.443 68 A N -0.505 122.299 122.820 -0.027 0.000 1.933 68 A HA 0.104 4.423 4.320 -0.001 0.000 0.218 68 A C 2.402 180.067 177.584 0.135 0.000 1.175 68 A CA 1.976 54.046 52.037 0.055 0.000 0.628 68 A CB -1.376 17.671 19.000 0.078 0.000 0.814 68 A HN 0.740 nan 8.150 nan 0.000 0.444 69 G N -0.596 108.261 108.800 0.095 0.000 2.418 69 G HA2 0.016 3.976 3.960 -0.001 0.000 0.217 69 G HA3 0.016 3.976 3.960 -0.001 0.000 0.217 69 G C 1.721 176.684 174.900 0.105 0.000 1.158 69 G CA 1.383 46.555 45.100 0.121 0.000 0.771 69 G HN 0.795 nan 8.290 nan 0.000 0.545 70 A N 0.034 122.890 122.820 0.061 0.000 1.930 70 A HA 0.148 4.467 4.320 -0.001 0.000 0.217 70 A C 2.579 180.209 177.584 0.076 0.000 1.175 70 A CA 1.611 53.674 52.037 0.043 0.000 0.627 70 A CB -0.510 18.501 19.000 0.018 0.000 0.815 70 A HN 0.235 nan 8.150 nan 0.000 0.443 71 V N -0.366 119.611 119.914 0.105 0.000 2.343 71 V HA -0.308 3.812 4.120 -0.001 0.000 0.247 71 V C 2.430 178.665 176.094 0.235 0.000 1.051 71 V CA 2.275 64.667 62.300 0.152 0.000 1.036 71 V CB -1.004 30.926 31.823 0.179 0.000 0.654 71 V HN 0.846 nan 8.190 nan 0.000 0.451 72 H N 0.031 119.181 119.070 0.133 0.000 2.321 72 H HA -0.145 4.410 4.556 -0.001 0.000 0.300 72 H C 2.278 177.662 175.328 0.093 0.000 1.087 72 H CA 1.383 57.507 56.048 0.127 0.000 1.319 72 H CB -0.156 29.677 29.762 0.118 0.000 1.379 72 H HN 0.454 nan 8.280 nan 0.000 0.501 73 G N 0.065 108.871 108.800 0.010 0.000 2.418 73 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 73 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 73 G C 1.865 176.761 174.900 -0.006 0.000 1.158 73 G CA 0.733 45.781 45.100 -0.088 0.000 0.771 73 G HN 0.559 nan 8.290 nan 0.000 0.545 74 A N 0.476 123.326 122.820 0.050 0.000 1.902 74 A HA 0.125 4.444 4.320 -0.001 0.000 0.217 74 A C 2.436 180.090 177.584 0.116 0.000 1.181 74 A CA 1.212 53.287 52.037 0.063 0.000 0.623 74 A CB -0.373 18.670 19.000 0.071 0.000 0.818 74 A HN 0.352 nan 8.150 nan 0.000 0.443 75 L N -0.842 120.492 121.223 0.185 0.000 2.056 75 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 75 L C 3.088 180.109 176.870 0.250 0.000 1.078 75 L CA 1.009 56.029 54.840 0.298 0.000 0.749 75 L CB -0.515 41.714 42.059 0.283 0.000 0.901 75 L HN 0.420 nan 8.230 nan 0.000 0.433 76 A N 0.009 122.929 122.820 0.166 0.000 1.978 76 A HA -0.118 4.202 4.320 -0.001 0.000 0.220 76 A C 2.180 179.774 177.584 0.016 0.000 1.170 76 A CA 1.648 53.746 52.037 0.100 0.000 0.636 76 A CB -0.576 18.426 19.000 0.004 0.000 0.810 76 A HN 0.392 nan 8.150 nan 0.000 0.448 77 A N -1.617 121.194 122.820 -0.016 0.000 2.327 77 A HA 0.445 4.765 4.320 -0.001 0.000 0.228 77 A C 1.547 179.053 177.584 -0.130 0.000 1.275 77 A CA 0.959 52.955 52.037 -0.068 0.000 0.875 77 A CB -1.134 17.830 19.000 -0.059 0.000 0.925 77 A HN 1.881 nan 8.150 nan 0.000 0.493 78 G N -2.035 106.627 108.800 -0.230 0.000 2.136 78 G HA2 0.121 4.081 3.960 -0.001 0.000 0.242 78 G HA3 0.121 4.081 3.960 -0.001 0.000 0.242 78 G C 0.233 174.987 174.900 -0.244 0.000 0.989 78 G CA 0.260 45.024 45.100 -0.560 0.000 0.682 78 G HN 1.682 nan 8.290 nan 0.000 0.522 79 A N 0.089 122.963 122.820 0.091 0.000 2.330 79 A HA 0.798 5.118 4.320 -0.001 0.000 0.327 79 A C 0.408 178.186 177.584 0.324 0.000 1.155 79 A CA -0.653 51.483 52.037 0.165 0.000 0.803 79 A CB 0.904 19.935 19.000 0.053 0.000 1.208 79 A HN 0.750 nan 8.150 nan 0.000 0.477 80 L N 2.570 123.945 121.223 0.254 0.000 2.477 80 L HA 0.251 4.591 4.340 -0.001 0.000 0.272 80 L C 0.178 177.119 176.870 0.118 0.000 1.157 80 L CA 0.386 55.311 54.840 0.142 0.000 0.889 80 L CB 0.362 42.501 42.059 0.134 0.000 1.158 80 L HN 0.773 nan 8.230 nan 0.000 0.473 81 T N 1.204 115.824 114.554 0.111 0.000 2.916 81 T HA 0.587 4.936 4.350 -0.001 0.000 0.292 81 T C -0.282 174.489 174.700 0.118 0.000 1.055 81 T CA -0.551 61.613 62.100 0.106 0.000 1.009 81 T CB 2.434 71.374 68.868 0.119 0.000 1.118 81 T HN 0.584 nan 8.240 nan 0.000 0.497 82 T N 0.136 114.728 114.554 0.063 0.000 2.816 82 T HA 0.749 5.098 4.350 -0.001 0.000 0.299 82 T C -1.455 173.098 174.700 -0.245 0.000 1.230 82 T CA -0.347 61.758 62.100 0.009 0.000 1.007 82 T CB 2.148 71.084 68.868 0.113 0.000 1.289 82 T HN 0.766 nan 8.240 nan 0.000 0.508 83 T N 0.995 115.278 114.554 -0.451 0.000 2.792 83 T HA 0.740 5.089 4.350 -0.001 0.000 0.303 83 T C -2.063 172.198 174.700 -0.731 0.000 1.310 83 T CA -0.511 61.192 62.100 -0.663 0.000 1.007 83 T CB 0.794 69.326 68.868 -0.560 0.000 1.335 83 T HN 0.423 nan 8.240 nan 0.000 0.504 84 F N 1.285 121.243 119.950 0.013 0.000 2.539 84 F HA 0.723 5.249 4.527 -0.001 0.000 0.318 84 F C 0.582 176.376 175.800 -0.010 0.000 1.135 84 F CA -0.650 57.391 58.000 0.069 0.000 0.915 84 F CB 2.484 41.556 39.000 0.120 0.000 1.176 84 F HN 0.593 nan 8.300 nan 0.000 0.440 85 T N 1.173 115.803 114.554 0.126 0.000 2.648 85 T HA 0.909 5.258 4.350 -0.001 0.000 0.304 85 T C -1.802 172.901 174.700 0.004 0.000 1.312 85 T CA -0.264 61.862 62.100 0.044 0.000 1.023 85 T CB 1.636 70.478 68.868 -0.043 0.000 1.612 85 T HN 1.143 nan 8.240 nan 0.000 0.487 86 A N 0.174 122.987 122.820 -0.012 0.000 2.544 86 A HA 0.747 5.067 4.320 -0.001 0.000 0.291 86 A C 0.596 178.164 177.584 -0.027 0.000 1.055 86 A CA 0.660 52.672 52.037 -0.041 0.000 0.651 86 A CB 0.356 19.321 19.000 -0.058 0.000 1.296 86 A HN 2.014 nan 8.150 nan 0.000 0.431 87 S N -0.604 115.073 115.700 -0.038 0.000 4.105 87 S HA -0.369 4.100 4.470 -0.001 0.000 0.539 87 S C 1.721 176.315 174.600 -0.011 0.000 1.658 87 S CA 2.517 60.703 58.200 -0.024 0.000 3.958 87 S CB -1.060 62.131 63.200 -0.015 0.000 1.434 87 S HN 1.247 nan 8.310 nan 0.000 0.537 88 Q N 0.986 120.790 119.800 0.006 0.000 2.152 88 Q HA -0.085 4.254 4.340 -0.001 0.000 0.206 88 Q C 2.369 178.385 176.000 0.026 0.000 0.985 88 Q CA 2.071 57.886 55.803 0.020 0.000 0.863 88 Q CB -1.409 27.355 28.738 0.044 0.000 0.904 88 Q HN 0.819 nan 8.270 nan 0.000 0.422 89 G N 1.220 110.043 108.800 0.038 0.000 2.404 89 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.215 89 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.215 89 G C 1.493 176.389 174.900 -0.007 0.000 1.174 89 G CA 0.754 45.877 45.100 0.038 0.000 0.780 89 G HN 0.330 nan 8.290 nan 0.000 0.537 90 L N 0.723 121.934 121.223 -0.019 0.000 2.042 90 L HA 0.040 4.380 4.340 -0.001 0.000 0.210 90 L C 2.707 179.559 176.870 -0.030 0.000 1.076 90 L CA 1.346 56.164 54.840 -0.035 0.000 0.749 90 L CB -0.478 41.549 42.059 -0.052 0.000 0.893 90 L HN 0.218 nan 8.230 nan 0.000 0.432 91 L N -1.219 119.991 121.223 -0.023 0.000 2.079 91 L HA -0.263 4.076 4.340 -0.001 0.000 0.210 91 L C 2.444 179.309 176.870 -0.008 0.000 1.081 91 L CA 1.267 56.099 54.840 -0.015 0.000 0.752 91 L CB -0.624 41.429 42.059 -0.009 0.000 0.896 91 L HN 0.321 nan 8.230 nan 0.000 0.433 92 L N -0.988 120.227 121.223 -0.014 0.000 2.362 92 L HA -0.146 4.194 4.340 -0.001 0.000 0.219 92 L C 2.355 179.219 176.870 -0.009 0.000 1.134 92 L CA 0.841 55.669 54.840 -0.020 0.000 0.807 92 L CB -0.270 41.762 42.059 -0.045 0.000 0.927 92 L HN 0.397 nan 8.230 nan 0.000 0.447 93 M N -1.060 118.538 119.600 -0.003 0.000 2.514 93 M HA -0.030 4.449 4.480 -0.001 0.000 0.258 93 M C 2.116 178.445 176.300 0.049 0.000 1.119 93 M CA 0.788 56.108 55.300 0.032 0.000 1.111 93 M CB 0.056 32.682 32.600 0.044 0.000 1.390 93 M HN 0.181 nan 8.290 nan 0.000 0.475 94 I N 1.144 121.727 120.570 0.021 0.000 2.145 94 I HA -0.279 3.891 4.170 -0.001 0.000 0.244 94 I C -0.601 175.611 176.117 0.158 0.000 1.075 94 I CA 1.966 63.286 61.300 0.033 0.000 1.332 94 I CB -1.784 36.252 38.000 0.059 0.000 1.033 94 I HN 0.155 nan 8.210 nan 0.000 0.410 95 P HA -0.151 nan 4.420 nan 0.000 0.215 95 P C 1.233 178.637 177.300 0.174 0.000 1.153 95 P CA 1.469 64.672 63.100 0.171 0.000 0.853 95 P CB -0.106 31.640 31.700 0.075 0.000 0.788 96 N N -1.489 117.286 118.700 0.125 0.000 2.396 96 N HA -0.007 4.732 4.740 -0.001 0.000 0.180 96 N C 1.597 177.161 175.510 0.091 0.000 1.028 96 N CA 0.917 54.029 53.050 0.104 0.000 0.893 96 N CB -0.293 38.279 38.487 0.141 0.000 0.967 96 N HN 0.219 nan 8.380 nan 0.000 0.440 97 M N -0.725 118.923 119.600 0.080 0.000 2.175 97 M HA -0.157 4.322 4.480 -0.001 0.000 0.264 97 M C 1.541 177.903 176.300 0.103 0.000 1.063 97 M CA 1.358 56.669 55.300 0.018 0.000 1.119 97 M CB -0.377 31.975 32.600 -0.413 0.000 1.377 97 M HN 0.104 nan 8.290 nan 0.000 0.415 98 Y N 0.475 120.798 120.300 0.039 0.000 2.224 98 Y HA -0.197 4.353 4.550 -0.001 0.000 0.289 98 Y C 2.527 178.432 175.900 0.009 0.000 1.146 98 Y CA 1.171 59.293 58.100 0.037 0.000 1.182 98 Y CB -0.188 38.285 38.460 0.020 0.000 0.983 98 Y HN 0.059 nan 8.280 nan 0.000 0.524 99 K N 0.122 120.588 120.400 0.110 0.000 2.062 99 K HA -0.072 4.248 4.320 -0.001 0.000 0.205 99 K C 2.011 178.497 176.600 -0.190 0.000 1.051 99 K CA 1.104 57.353 56.287 -0.063 0.000 0.941 99 K CB -0.482 31.899 32.500 -0.198 0.000 0.719 99 K HN 0.370 nan 8.250 nan 0.000 0.440 100 I N 1.511 121.962 120.570 -0.197 0.000 2.226 100 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 100 I C 2.511 178.544 176.117 -0.141 0.000 1.100 100 I CA 1.573 62.780 61.300 -0.155 0.000 1.374 100 I CB -0.366 37.630 38.000 -0.006 0.000 1.057 100 I HN 0.157 nan 8.210 nan 0.000 0.413 101 S N 0.699 116.343 115.700 -0.093 0.000 2.387 101 S HA -0.046 4.423 4.470 -0.001 0.000 0.226 101 S C 2.206 176.795 174.600 -0.018 0.000 1.026 101 S CA 0.803 58.930 58.200 -0.121 0.000 0.972 101 S CB -1.169 62.020 63.200 -0.018 0.000 0.814 101 S HN 0.452 nan 8.310 nan 0.000 0.477 102 G N 1.439 110.256 108.800 0.029 0.000 2.442 102 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.219 102 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.219 102 G C 1.244 176.151 174.900 0.012 0.000 1.141 102 G CA 0.746 45.874 45.100 0.047 0.000 0.763 102 G HN 0.663 nan 8.290 nan 0.000 0.554 103 E N -0.110 120.088 120.200 -0.003 0.000 2.444 103 E HA 0.327 4.677 4.350 -0.001 0.000 0.191 103 E C 0.286 176.857 176.600 -0.048 0.000 1.041 103 E CA -0.460 55.946 56.400 0.010 0.000 0.883 103 E CB -0.007 29.751 29.700 0.096 0.000 1.024 103 E HN 0.294 nan 8.360 nan 0.000 0.470 104 L N 1.401 122.556 121.223 -0.114 0.000 3.795 104 L HA -0.241 4.098 4.340 -0.001 0.000 0.489 104 L C -0.657 176.130 176.870 -0.138 0.000 1.259 104 L CA 0.282 55.001 54.840 -0.201 0.000 0.765 104 L CB -1.429 40.419 42.059 -0.352 0.000 1.519 104 L HN 0.296 nan 8.230 nan 0.000 0.842 105 L N 2.400 123.551 121.223 -0.120 0.000 2.309 105 L HA 0.416 4.755 4.340 -0.001 0.000 0.282 105 L C -1.283 175.474 176.870 -0.189 0.000 1.036 105 L CA -1.673 53.133 54.840 -0.056 0.000 0.806 105 L CB 1.399 43.490 42.059 0.052 0.000 1.220 105 L HN -0.061 nan 8.230 nan 0.000 0.429 106 P HA 0.037 nan 4.420 nan 0.000 0.249 106 P C 0.310 177.457 177.300 -0.255 0.000 1.686 106 P CA 0.006 62.913 63.100 -0.323 0.000 0.873 106 P CB -0.101 31.287 31.700 -0.520 0.000 1.828 107 G N -0.147 108.529 108.800 -0.207 0.000 2.507 107 G HA2 0.420 4.380 3.960 -0.001 0.000 0.271 107 G HA3 0.420 4.380 3.960 -0.001 0.000 0.271 107 G C -0.839 173.995 174.900 -0.111 0.000 1.189 107 G CA -0.221 44.829 45.100 -0.083 0.000 0.859 107 G HN 0.123 nan 8.290 nan 0.000 0.542 108 V N 1.459 121.382 119.914 0.015 0.000 2.524 108 V HA 0.361 4.481 4.120 -0.001 0.000 0.297 108 V C -0.803 175.392 176.094 0.168 0.000 1.035 108 V CA -0.569 61.677 62.300 -0.089 0.000 0.867 108 V CB 1.251 32.714 31.823 -0.600 0.000 1.004 108 V HN 0.659 nan 8.190 nan 0.000 0.426 109 F N 3.091 122.995 119.950 -0.076 0.000 2.415 109 F HA 0.520 5.047 4.527 -0.001 0.000 0.348 109 F C 0.384 176.096 175.800 -0.147 0.000 1.119 109 F CA -0.747 57.208 58.000 -0.076 0.000 1.069 109 F CB 1.407 40.408 39.000 0.002 0.000 1.124 109 F HN 0.550 nan 8.300 nan 0.000 0.472 110 H N 2.119 121.380 119.070 0.318 0.000 2.556 110 H HA 0.445 5.001 4.556 -0.001 0.000 0.310 110 H C -0.770 174.687 175.328 0.215 0.000 1.057 110 H CA -0.518 55.760 56.048 0.383 0.000 1.264 110 H CB 1.463 31.604 29.762 0.632 0.000 1.404 110 H HN 0.228 nan 8.280 nan 0.000 0.462 111 V N 3.256 123.242 119.914 0.119 0.000 2.495 111 V HA 0.226 4.345 4.120 -0.001 0.000 0.298 111 V C 0.142 175.980 176.094 -0.427 0.000 1.031 111 V CA -0.984 61.272 62.300 -0.074 0.000 0.871 111 V CB 1.829 33.633 31.823 -0.032 0.000 0.988 111 V HN 0.919 nan 8.190 nan 0.000 0.432 112 T N 1.957 116.254 114.554 -0.428 0.000 2.875 112 T HA 0.618 4.968 4.350 -0.001 0.000 0.307 112 T C 0.311 174.864 174.700 -0.245 0.000 1.013 112 T CA -0.183 61.579 62.100 -0.563 0.000 0.970 112 T CB 0.754 69.410 68.868 -0.353 0.000 0.986 112 T HN 1.016 nan 8.240 nan 0.000 0.536 113 A N 4.271 126.993 122.820 -0.164 0.000 2.553 113 A HA 0.368 4.688 4.320 -0.001 0.000 0.258 113 A C 0.692 178.279 177.584 0.006 0.000 1.069 113 A CA -0.170 51.839 52.037 -0.048 0.000 0.767 113 A CB -0.162 18.891 19.000 0.088 0.000 0.997 113 A HN 0.984 nan 8.150 nan 0.000 0.512 114 R N 2.549 123.040 120.500 -0.015 0.000 2.771 114 R HA 0.635 4.975 4.340 -0.001 0.000 0.274 114 R C -0.084 176.224 176.300 0.014 0.000 0.987 114 R CA -0.235 55.876 56.100 0.018 0.000 0.908 114 R CB 1.551 31.847 30.300 -0.006 0.000 1.213 114 R HN 0.938 nan 8.270 nan 0.000 0.468 115 A N 3.944 126.788 122.820 0.040 0.000 2.507 115 A HA 0.226 4.545 4.320 -0.001 0.000 0.235 115 A C 0.135 177.727 177.584 0.013 0.000 1.070 115 A CA -0.037 52.018 52.037 0.030 0.000 0.768 115 A CB 0.111 19.144 19.000 0.055 0.000 1.011 115 A HN 0.519 nan 8.150 nan 0.000 0.502 116 I N 0.964 121.540 120.570 0.010 0.000 2.428 116 I HA 0.377 4.546 4.170 -0.001 0.000 0.296 116 I C 0.952 177.066 176.117 -0.005 0.000 0.985 116 I CA -0.304 60.997 61.300 0.002 0.000 1.260 116 I CB 1.094 39.097 38.000 0.005 0.000 1.389 116 I HN 0.723 nan 8.210 nan 0.000 0.484 117 A N 4.560 127.368 122.820 -0.020 0.000 2.451 117 A HA 0.591 4.910 4.320 -0.001 0.000 0.266 117 A C 0.477 178.041 177.584 -0.034 0.000 1.119 117 A CA 0.459 52.468 52.037 -0.046 0.000 0.786 117 A CB 0.233 19.202 19.000 -0.051 0.000 1.061 117 A HN 0.987 nan 8.150 nan 0.000 0.503 118 A N 2.056 124.854 122.820 -0.037 0.000 1.936 118 A HA 0.339 4.659 4.320 -0.001 0.000 0.197 118 A C 1.626 179.229 177.584 0.032 0.000 2.189 118 A CA 0.559 52.612 52.037 0.027 0.000 1.491 118 A CB -0.496 18.565 19.000 0.102 0.000 1.021 118 A HN 1.026 nan 8.150 nan 0.000 0.537 119 H N 0.275 119.365 119.070 0.033 0.000 2.495 119 H HA 0.494 5.050 4.556 -0.001 0.000 0.287 119 H C 0.403 175.776 175.328 0.075 0.000 1.033 119 H CA 1.334 57.417 56.048 0.058 0.000 1.307 119 H CB -0.160 29.637 29.762 0.059 0.000 1.401 119 H HN 0.701 nan 8.280 nan 0.000 0.555 120 A N 0.658 123.052 122.820 -0.710 0.000 2.610 120 A HA 0.500 4.819 4.320 -0.001 0.000 0.291 120 A C -1.424 175.983 177.584 -0.296 0.000 1.086 120 A CA -0.778 50.987 52.037 -0.454 0.000 0.677 120 A CB 1.095 19.782 19.000 -0.522 0.000 1.278 120 A HN 0.273 nan 8.150 nan 0.000 0.414 121 L N 0.694 121.830 121.223 -0.145 0.000 2.357 121 L HA 0.817 5.157 4.340 -0.001 0.000 0.273 121 L C -0.010 176.832 176.870 -0.046 0.000 1.080 121 L CA -0.081 54.711 54.840 -0.080 0.000 0.803 121 L CB 1.619 43.650 42.059 -0.045 0.000 1.174 121 L HN 0.842 nan 8.230 nan 0.000 0.443 122 S N 3.493 119.187 115.700 -0.009 0.000 2.572 122 S HA 0.362 4.831 4.470 -0.001 0.000 0.274 122 S C 0.248 174.863 174.600 0.025 0.000 1.150 122 S CA -0.822 57.415 58.200 0.062 0.000 0.944 122 S CB 1.275 64.542 63.200 0.112 0.000 1.071 122 S HN 0.677 nan 8.310 nan 0.000 0.479 123 I N 1.078 121.612 120.570 -0.061 0.000 3.793 123 I HA 0.450 4.619 4.170 -0.001 0.000 0.315 123 I C -0.420 175.576 176.117 -0.201 0.000 1.275 123 I CA -0.171 61.026 61.300 -0.172 0.000 1.214 123 I CB -0.225 37.615 38.000 -0.267 0.000 1.018 123 I HN 0.288 nan 8.210 nan 0.000 0.439 124 F N 2.124 122.152 119.950 0.130 0.000 2.368 124 F HA 0.630 5.157 4.527 -0.001 0.000 0.315 124 F C 1.477 177.369 175.800 0.154 0.000 1.145 124 F CA -0.469 57.636 58.000 0.175 0.000 1.095 124 F CB 0.421 39.432 39.000 0.019 0.000 1.286 124 F HN -0.118 nan 8.300 nan 0.000 0.530 125 G N 0.637 109.681 108.800 0.406 0.000 2.380 125 G HA2 0.478 4.437 3.960 -0.001 0.000 0.262 125 G HA3 0.478 4.437 3.960 -0.001 0.000 0.262 125 G C -1.363 173.593 174.900 0.093 0.000 1.243 125 G CA -0.115 45.122 45.100 0.228 0.000 0.865 125 G HN 0.749 nan 8.290 nan 0.000 0.513 126 D N -1.217 119.205 120.400 0.037 0.000 2.808 126 D HA 0.038 4.678 4.640 -0.001 0.000 0.294 126 D C -0.302 176.001 176.300 0.005 0.000 1.278 126 D CA -0.751 53.182 54.000 -0.112 0.000 0.756 126 D CB 0.065 40.783 40.800 -0.137 0.000 1.271 126 D HN 0.421 nan 8.370 nan 0.000 0.425 127 H N -0.590 118.381 119.070 -0.164 0.000 2.519 127 H HA 0.196 4.752 4.556 -0.001 0.000 0.289 127 H C 0.877 176.077 175.328 -0.212 0.000 1.040 127 H CA -0.088 55.774 56.048 -0.310 0.000 1.165 127 H CB 0.558 29.979 29.762 -0.569 0.000 1.462 127 H HN 0.282 nan 8.280 nan 0.000 0.555 128 Q N 0.965 120.786 119.800 0.035 0.000 2.135 128 Q HA -0.175 4.165 4.340 -0.001 0.000 0.204 128 Q C 1.691 177.696 176.000 0.008 0.000 0.981 128 Q CA 1.731 57.570 55.803 0.060 0.000 0.856 128 Q CB 0.126 28.882 28.738 0.031 0.000 0.902 128 Q HN 0.674 nan 8.270 nan 0.000 0.425 129 D N 0.680 121.047 120.400 -0.055 0.000 2.103 129 D HA -0.170 4.470 4.640 -0.001 0.000 0.199 129 D C 1.855 178.058 176.300 -0.163 0.000 0.978 129 D CA 1.177 55.125 54.000 -0.087 0.000 0.829 129 D CB -0.579 40.170 40.800 -0.085 0.000 0.981 129 D HN 0.435 nan 8.370 nan 0.000 0.464 130 I N -2.115 118.261 120.570 -0.323 0.000 2.394 130 I HA -0.120 4.049 4.170 -0.001 0.000 0.251 130 I C 2.372 178.285 176.117 -0.339 0.000 1.136 130 I CA 0.932 61.936 61.300 -0.493 0.000 1.425 130 I CB -1.174 36.183 38.000 -1.070 0.000 1.079 130 I HN -0.085 nan 8.210 nan 0.000 0.425 131 Y N 1.312 121.463 120.300 -0.249 0.000 2.352 131 Y HA -0.043 4.506 4.550 -0.001 0.000 0.292 131 Y C 2.721 178.568 175.900 -0.087 0.000 1.136 131 Y CA 0.416 58.429 58.100 -0.146 0.000 1.227 131 Y CB -0.153 38.240 38.460 -0.111 0.000 0.991 131 Y HN 0.291 nan 8.280 nan 0.000 0.545 132 A N -0.180 122.676 122.820 0.060 0.000 2.067 132 A HA -0.001 4.318 4.320 -0.001 0.000 0.219 132 A C 1.982 179.555 177.584 -0.018 0.000 1.158 132 A CA 1.461 53.509 52.037 0.019 0.000 0.661 132 A CB -0.582 18.416 19.000 -0.002 0.000 0.801 132 A HN 0.339 nan 8.150 nan 0.000 0.452 133 A N -0.145 122.635 122.820 -0.066 0.000 2.465 133 A HA 0.261 4.580 4.320 -0.001 0.000 0.255 133 A C 1.687 179.196 177.584 -0.124 0.000 1.274 133 A CA 0.355 52.311 52.037 -0.137 0.000 0.920 133 A CB -0.349 18.520 19.000 -0.220 0.000 1.033 133 A HN 0.625 nan 8.150 nan 0.000 0.516 134 R N 0.371 120.863 120.500 -0.015 0.000 2.241 134 R HA -0.132 4.207 4.340 -0.001 0.000 0.224 134 R C 1.231 177.516 176.300 -0.025 0.000 1.101 134 R CA 1.540 57.669 56.100 0.048 0.000 0.995 134 R CB -0.162 30.270 30.300 0.221 0.000 0.870 134 R HN 0.509 nan 8.270 nan 0.000 0.463 135 Q N 1.103 120.862 119.800 -0.069 0.000 2.282 135 Q HA 0.015 4.354 4.340 -0.001 0.000 0.206 135 Q C 0.989 176.835 176.000 -0.256 0.000 0.878 135 Q CA 1.034 56.787 55.803 -0.083 0.000 0.944 135 Q CB 0.451 29.200 28.738 0.019 0.000 1.100 135 Q HN 0.414 nan 8.270 nan 0.000 0.509 136 T N -2.970 111.316 114.554 -0.447 0.000 3.072 136 T HA 0.218 4.567 4.350 -0.001 0.000 0.266 136 T C 1.456 175.964 174.700 -0.321 0.000 1.127 136 T CA 1.029 62.640 62.100 -0.815 0.000 1.107 136 T CB -0.110 68.361 68.868 -0.662 0.000 0.910 136 T HN 0.531 nan 8.240 nan 0.000 0.513 137 G N 0.333 109.063 108.800 -0.117 0.000 2.176 137 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.232 137 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.232 137 G C -0.152 174.843 174.900 0.159 0.000 0.986 137 G CA -0.327 44.785 45.100 0.019 0.000 0.643 137 G HN 0.492 nan 8.290 nan 0.000 0.522 138 F N 2.029 121.880 119.950 -0.165 0.000 2.429 138 F HA 0.650 5.176 4.527 -0.001 0.000 0.348 138 F C 1.097 176.754 175.800 -0.237 0.000 1.109 138 F CA -0.072 57.790 58.000 -0.229 0.000 1.232 138 F CB 1.161 39.983 39.000 -0.296 0.000 1.157 138 F HN 0.349 nan 8.300 nan 0.000 0.564 139 A N 5.205 127.803 122.820 -0.370 0.000 2.386 139 A HA 0.599 4.918 4.320 -0.001 0.000 0.248 139 A C -0.405 176.987 177.584 -0.321 0.000 1.082 139 A CA -0.347 51.348 52.037 -0.570 0.000 0.789 139 A CB 0.177 18.225 19.000 -1.586 0.000 1.025 139 A HN 0.779 nan 8.150 nan 0.000 0.490 140 M N 1.906 121.458 119.600 -0.079 0.000 2.151 140 M HA 0.386 4.866 4.480 -0.001 0.000 0.290 140 M C -1.327 175.152 176.300 0.299 0.000 0.965 140 M CA -0.358 55.075 55.300 0.221 0.000 0.930 140 M CB 1.832 34.643 32.600 0.351 0.000 1.560 140 M HN 0.545 nan 8.290 nan 0.000 0.438 141 L N 3.371 124.789 121.223 0.325 0.000 2.349 141 L HA 0.896 5.235 4.340 -0.001 0.000 0.278 141 L C -0.811 175.982 176.870 -0.129 0.000 0.996 141 L CA -0.174 54.771 54.840 0.174 0.000 0.825 141 L CB 1.590 43.811 42.059 0.270 0.000 1.243 141 L HN 0.787 nan 8.230 nan 0.000 0.412 142 A N 3.212 125.791 122.820 -0.402 0.000 2.312 142 A HA 0.809 5.129 4.320 -0.001 0.000 0.326 142 A C -0.399 177.010 177.584 -0.292 0.000 1.172 142 A CA -0.202 51.322 52.037 -0.855 0.000 0.821 142 A CB 0.811 19.271 19.000 -0.899 0.000 1.166 142 A HN 0.800 nan 8.150 nan 0.000 0.493 143 S N 0.636 116.237 115.700 -0.166 0.000 2.503 143 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 143 S C 0.403 175.040 174.600 0.062 0.000 1.087 143 S CA 0.098 58.316 58.200 0.029 0.000 1.042 143 S CB 1.604 64.931 63.200 0.211 0.000 1.043 143 S HN 1.334 nan 8.310 nan 0.000 0.489 144 S N 0.345 116.100 115.700 0.092 0.000 2.559 144 S HA 0.421 4.890 4.470 -0.001 0.000 0.226 144 S C 0.410 175.095 174.600 0.142 0.000 1.000 144 S CA 0.127 58.409 58.200 0.136 0.000 0.948 144 S CB -0.622 62.662 63.200 0.141 0.000 0.870 144 S HN 1.343 nan 8.310 nan 0.000 0.497 145 S N -0.825 114.947 115.700 0.121 0.000 2.615 145 S HA 0.545 5.014 4.470 -0.001 0.000 0.269 145 S C 0.582 175.222 174.600 0.067 0.000 1.161 145 S CA -0.319 57.943 58.200 0.104 0.000 0.817 145 S CB 0.815 64.075 63.200 0.100 0.000 1.131 145 S HN -0.032 nan 8.310 nan 0.000 0.467 146 V N 1.216 121.164 119.914 0.057 0.000 2.287 146 V HA -0.170 3.950 4.120 -0.001 0.000 0.248 146 V C 2.908 179.022 176.094 0.035 0.000 1.053 146 V CA 2.619 64.932 62.300 0.021 0.000 1.027 146 V CB -1.090 30.758 31.823 0.041 0.000 0.646 146 V HN 0.967 nan 8.190 nan 0.000 0.447 147 Q N 0.508 120.348 119.800 0.067 0.000 2.084 147 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 147 Q C 2.110 178.193 176.000 0.137 0.000 0.978 147 Q CA 2.035 57.893 55.803 0.091 0.000 0.844 147 Q CB -0.349 28.452 28.738 0.105 0.000 0.898 147 Q HN 0.693 nan 8.270 nan 0.000 0.426 148 E N -0.672 119.603 120.200 0.126 0.000 2.150 148 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 148 E C 1.821 178.435 176.600 0.023 0.000 0.985 148 E CA 0.685 57.134 56.400 0.082 0.000 0.814 148 E CB -0.171 29.577 29.700 0.080 0.000 0.752 148 E HN 0.498 nan 8.360 nan 0.000 0.466 149 A N 1.488 124.324 122.820 0.027 0.000 1.908 149 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 149 A C 2.079 179.663 177.584 0.001 0.000 1.181 149 A CA 1.821 53.859 52.037 0.002 0.000 0.627 149 A CB -0.792 18.009 19.000 -0.333 0.000 0.818 149 A HN 0.388 nan 8.150 nan 0.000 0.445 150 H N 0.221 119.262 119.070 -0.049 0.000 2.293 150 H HA -0.134 4.422 4.556 -0.001 0.000 0.300 150 H C 1.380 176.687 175.328 -0.035 0.000 1.082 150 H CA 1.956 57.998 56.048 -0.010 0.000 1.308 150 H CB -0.281 29.495 29.762 0.022 0.000 1.375 150 H HN 0.400 nan 8.280 nan 0.000 0.495 151 D N 0.613 121.081 120.400 0.113 0.000 2.097 151 D HA -0.141 4.498 4.640 -0.001 0.000 0.195 151 D C 2.432 178.606 176.300 -0.209 0.000 0.989 151 D CA 0.919 54.926 54.000 0.012 0.000 0.827 151 D CB -0.157 40.717 40.800 0.123 0.000 0.966 151 D HN 0.354 nan 8.370 nan 0.000 0.456 152 M N 0.580 119.998 119.600 -0.304 0.000 2.229 152 M HA 0.021 4.500 4.480 -0.001 0.000 0.264 152 M C 2.301 178.293 176.300 -0.513 0.000 1.063 152 M CA 0.593 55.663 55.300 -0.383 0.000 1.114 152 M CB -1.110 31.308 32.600 -0.304 0.000 1.387 152 M HN -0.038 nan 8.290 nan 0.000 0.420 153 A N 0.412 122.844 122.820 -0.646 0.000 1.908 153 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 153 A C 2.322 179.861 177.584 -0.075 0.000 1.181 153 A CA 1.275 53.102 52.037 -0.350 0.000 0.627 153 A CB -0.899 18.030 19.000 -0.119 0.000 0.818 153 A HN 0.462 nan 8.150 nan 0.000 0.445 154 L N -0.279 120.829 121.223 -0.192 0.000 2.027 154 L HA -0.127 4.212 4.340 -0.001 0.000 0.206 154 L C 2.496 179.251 176.870 -0.193 0.000 1.074 154 L CA 1.492 56.232 54.840 -0.167 0.000 0.745 154 L CB -0.330 41.600 42.059 -0.215 0.000 0.898 154 L HN 0.275 nan 8.230 nan 0.000 0.433 155 V N 0.330 120.118 119.914 -0.211 0.000 2.332 155 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 155 V C 2.831 178.676 176.094 -0.415 0.000 1.055 155 V CA 1.743 63.900 62.300 -0.238 0.000 1.038 155 V CB -0.985 30.750 31.823 -0.147 0.000 0.651 155 V HN 0.580 nan 8.190 nan 0.000 0.450 156 A N -1.124 121.451 122.820 -0.409 0.000 1.883 156 A HA -0.277 4.042 4.320 -0.001 0.000 0.217 156 A C 2.152 179.293 177.584 -0.739 0.000 1.186 156 A CA 2.014 53.650 52.037 -0.667 0.000 0.624 156 A CB -0.828 18.008 19.000 -0.274 0.000 0.822 156 A HN 0.666 nan 8.150 nan 0.000 0.444 157 H N -0.331 118.504 119.070 -0.393 0.000 2.321 157 H HA -0.061 4.495 4.556 -0.001 0.000 0.300 157 H C 2.175 177.233 175.328 -0.451 0.000 1.087 157 H CA 1.841 57.691 56.048 -0.329 0.000 1.319 157 H CB -0.347 29.294 29.762 -0.202 0.000 1.379 157 H HN 0.418 nan 8.280 nan 0.000 0.501 158 L N 0.111 121.072 121.223 -0.437 0.000 2.042 158 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 158 L C 2.942 179.304 176.870 -0.847 0.000 1.076 158 L CA 1.075 55.461 54.840 -0.757 0.000 0.749 158 L CB -0.510 40.841 42.059 -1.180 0.000 0.893 158 L HN 0.210 nan 8.230 nan 0.000 0.432 159 A N -0.137 122.213 122.820 -0.784 0.000 1.930 159 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 159 A C 2.537 179.878 177.584 -0.404 0.000 1.175 159 A CA 1.539 53.271 52.037 -0.508 0.000 0.627 159 A CB -0.635 17.992 19.000 -0.620 0.000 0.815 159 A HN 0.395 nan 8.150 nan 0.000 0.443 160 A N 0.187 122.654 122.820 -0.588 0.000 1.877 160 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 160 A C 2.111 179.571 177.584 -0.208 0.000 1.186 160 A CA 1.552 53.437 52.037 -0.254 0.000 0.620 160 A CB -0.629 18.212 19.000 -0.266 0.000 0.822 160 A HN 0.498 nan 8.150 nan 0.000 0.443 161 I N -0.794 119.627 120.570 -0.248 0.000 2.179 161 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 161 I C 2.622 178.682 176.117 -0.095 0.000 1.088 161 I CA 1.981 63.158 61.300 -0.204 0.000 1.357 161 I CB -0.314 37.583 38.000 -0.172 0.000 1.051 161 I HN 0.539 nan 8.210 nan 0.000 0.409 162 E N 0.693 120.867 120.200 -0.043 0.000 2.112 162 E HA -0.177 4.172 4.350 -0.001 0.000 0.190 162 E C 2.211 178.852 176.600 0.070 0.000 0.979 162 E CA 1.382 57.820 56.400 0.063 0.000 0.814 162 E CB 0.128 29.947 29.700 0.198 0.000 0.762 162 E HN 0.489 nan 8.360 nan 0.000 0.460 163 S N -0.366 115.368 115.700 0.056 0.000 2.478 163 S HA 0.001 4.471 4.470 -0.001 0.000 0.222 163 S C 0.686 175.331 174.600 0.075 0.000 1.008 163 S CA 0.712 58.962 58.200 0.082 0.000 0.928 163 S CB -0.129 63.131 63.200 0.100 0.000 0.781 163 S HN 0.438 nan 8.310 nan 0.000 0.518 164 N N -0.545 118.148 118.700 -0.011 0.000 2.850 164 N HA -0.116 4.623 4.740 -0.001 0.000 0.249 164 N C -1.169 174.228 175.510 -0.187 0.000 1.060 164 N CA 0.842 53.837 53.050 -0.091 0.000 0.825 164 N CB -1.585 36.861 38.487 -0.067 0.000 1.132 164 N HN 0.376 nan 8.380 nan 0.000 0.564 165 V N 1.063 120.872 119.914 -0.176 0.000 2.417 165 V HA 0.488 4.608 4.120 -0.001 0.000 0.291 165 V C -1.869 174.062 176.094 -0.271 0.000 1.024 165 V CA -1.558 60.546 62.300 -0.328 0.000 0.861 165 V CB 1.801 33.338 31.823 -0.476 0.000 0.985 165 V HN -0.066 nan 8.190 nan 0.000 0.436 166 P HA 0.239 nan 4.420 nan 0.000 0.271 166 P C -1.171 175.742 177.300 -0.644 0.000 1.218 166 P CA -0.025 62.638 63.100 -0.729 0.000 0.780 166 P CB 0.704 31.513 31.700 -1.484 0.000 0.901 167 F N 1.227 120.888 119.950 -0.483 0.000 2.538 167 F HA 0.540 5.066 4.527 -0.001 0.000 0.325 167 F C 0.779 176.622 175.800 0.073 0.000 1.066 167 F CA -0.911 56.990 58.000 -0.165 0.000 0.946 167 F CB 2.006 40.912 39.000 -0.158 0.000 1.199 167 F HN 0.159 nan 8.300 nan 0.000 0.473 168 M N 4.009 123.806 119.600 0.328 0.000 2.046 168 M HA 0.308 4.788 4.480 -0.001 0.000 0.309 168 M C -1.729 174.808 176.300 0.394 0.000 0.935 168 M CA -0.631 54.858 55.300 0.315 0.000 0.915 168 M CB 0.533 33.248 32.600 0.192 0.000 1.474 168 M HN 0.733 nan 8.290 nan 0.000 0.415 169 H N 6.173 125.392 119.070 0.248 0.000 2.604 169 H HA 0.560 5.116 4.556 -0.001 0.000 0.306 169 H C -1.925 173.642 175.328 0.398 0.000 1.075 169 H CA -0.342 55.877 56.048 0.285 0.000 1.357 169 H CB 0.457 30.384 29.762 0.275 0.000 1.426 169 H HN 0.567 nan 8.280 nan 0.000 0.470 170 F N 4.461 124.305 119.950 -0.176 0.000 2.588 170 F HA 0.683 5.209 4.527 -0.001 0.000 0.314 170 F C -1.947 173.787 175.800 -0.109 0.000 1.069 170 F CA -1.459 56.376 58.000 -0.275 0.000 0.931 170 F CB 1.246 40.104 39.000 -0.236 0.000 1.260 170 F HN 0.381 nan 8.300 nan 0.000 0.465 171 F N -0.992 118.924 119.950 -0.057 0.000 2.645 171 F HA 0.537 5.064 4.527 -0.001 0.000 0.310 171 F C -1.149 174.745 175.800 0.156 0.000 1.102 171 F CA -1.465 56.533 58.000 -0.003 0.000 0.952 171 F CB 0.844 39.837 39.000 -0.011 0.000 1.326 171 F HN 0.329 nan 8.300 nan 0.000 0.456 172 D N 1.719 122.325 120.400 0.344 0.000 2.487 172 D HA 0.263 4.902 4.640 -0.001 0.000 0.243 172 D C 0.545 176.991 176.300 0.242 0.000 1.154 172 D CA 0.566 54.739 54.000 0.289 0.000 0.876 172 D CB 1.123 42.108 40.800 0.308 0.000 1.161 172 D HN 0.988 nan 8.370 nan 0.000 0.478 173 G N 1.578 110.467 108.800 0.148 0.000 2.305 173 G HA2 0.186 4.146 3.960 -0.001 0.000 0.243 173 G HA3 0.186 4.146 3.960 -0.001 0.000 0.243 173 G C 0.483 175.571 174.900 0.313 0.000 1.288 173 G CA -0.175 44.985 45.100 0.099 0.000 0.901 173 G HN 0.495 nan 8.290 nan 0.000 0.516 174 F N 0.280 120.355 119.950 0.208 0.000 2.560 174 F HA -0.338 4.188 4.527 -0.001 0.000 0.695 174 F C 2.360 178.453 175.800 0.489 0.000 0.486 174 F CA 2.288 60.450 58.000 0.271 0.000 0.722 174 F CB -1.108 38.050 39.000 0.263 0.000 1.608 174 F HN 0.538 nan 8.300 nan 0.000 0.266 175 R N 0.488 121.336 120.500 0.579 0.000 2.139 175 R HA -0.081 4.258 4.340 -0.001 0.000 0.243 175 R C 1.698 178.199 176.300 0.335 0.000 1.145 175 R CA 2.591 58.906 56.100 0.358 0.000 0.976 175 R CB -0.771 29.660 30.300 0.217 0.000 0.866 175 R HN 0.626 nan 8.270 nan 0.000 0.449 176 T N -1.905 112.880 114.554 0.385 0.000 3.058 176 T HA 0.026 4.376 4.350 -0.001 0.000 0.247 176 T C 1.549 176.483 174.700 0.390 0.000 0.987 176 T CA 0.522 62.832 62.100 0.350 0.000 1.062 176 T CB 0.001 69.094 68.868 0.374 0.000 1.048 176 T HN 0.388 nan 8.240 nan 0.000 0.468 177 S N 1.667 117.685 115.700 0.531 0.000 2.383 177 S HA -0.185 4.285 4.470 -0.001 0.000 0.229 177 S C 1.490 176.311 174.600 0.369 0.000 1.030 177 S CA 1.461 59.985 58.200 0.539 0.000 1.002 177 S CB -0.494 62.996 63.200 0.484 0.000 0.829 177 S HN 0.548 nan 8.310 nan 0.000 0.467 178 H N 0.817 120.023 119.070 0.227 0.000 2.594 178 H HA 0.474 5.030 4.556 -0.001 0.000 0.279 178 H C 0.184 175.686 175.328 0.289 0.000 1.042 178 H CA -0.230 55.956 56.048 0.230 0.000 1.177 178 H CB 0.114 30.047 29.762 0.285 0.000 1.524 178 H HN 0.674 nan 8.280 nan 0.000 0.537 179 E N 1.367 121.814 120.200 0.411 0.000 2.289 179 E HA 0.205 4.555 4.350 -0.001 0.000 0.278 179 E C -0.564 176.155 176.600 0.199 0.000 1.032 179 E CA -0.383 56.224 56.400 0.345 0.000 0.854 179 E CB 0.671 30.552 29.700 0.301 0.000 1.046 179 E HN 0.231 nan 8.360 nan 0.000 0.409 180 I N 4.130 124.793 120.570 0.154 0.000 2.385 180 I HA 0.226 4.396 4.170 -0.001 0.000 0.294 180 I C 0.180 176.335 176.117 0.064 0.000 0.988 180 I CA -0.486 60.880 61.300 0.110 0.000 1.265 180 I CB 1.256 39.337 38.000 0.134 0.000 1.388 180 I HN 0.491 nan 8.210 nan 0.000 0.480 181 Q N 4.799 124.636 119.800 0.061 0.000 2.418 181 Q HA 0.292 4.632 4.340 -0.001 0.000 0.282 181 Q C -1.093 174.944 176.000 0.063 0.000 1.044 181 Q CA -0.975 54.863 55.803 0.059 0.000 0.813 181 Q CB 3.339 32.116 28.738 0.065 0.000 1.428 181 Q HN 0.490 nan 8.270 nan 0.000 0.402 182 K N 3.276 123.728 120.400 0.087 0.000 2.316 182 K HA 0.427 4.747 4.320 -0.001 0.000 0.289 182 K C -0.284 176.359 176.600 0.072 0.000 1.070 182 K CA 0.071 56.395 56.287 0.062 0.000 0.928 182 K CB 0.067 32.595 32.500 0.047 0.000 1.039 182 K HN 0.620 nan 8.250 nan 0.000 0.480 183 I N -0.543 120.036 120.570 0.014 0.000 3.457 183 I HA 0.519 4.688 4.170 -0.001 0.000 0.307 183 I C -1.261 174.812 176.117 -0.074 0.000 1.138 183 I CA -1.106 60.192 61.300 -0.005 0.000 0.974 183 I CB 2.011 39.996 38.000 -0.025 0.000 1.324 183 I HN 0.583 nan 8.210 nan 0.000 0.485 184 E N 1.867 121.998 120.200 -0.116 0.000 2.176 184 E HA 0.602 4.952 4.350 -0.001 0.000 0.267 184 E C -1.442 174.943 176.600 -0.359 0.000 0.893 184 E CA -0.855 55.446 56.400 -0.164 0.000 0.761 184 E CB 2.219 31.867 29.700 -0.087 0.000 1.133 184 E HN 0.656 nan 8.360 nan 0.000 0.409 185 V N 1.970 121.669 119.914 -0.358 0.000 2.815 185 V HA 0.589 4.708 4.120 -0.001 0.000 0.314 185 V C -0.398 175.651 176.094 -0.076 0.000 1.064 185 V CA -1.021 60.980 62.300 -0.497 0.000 0.952 185 V CB 1.406 32.915 31.823 -0.522 0.000 1.020 185 V HN 0.661 nan 8.190 nan 0.000 0.439 186 L N 1.936 123.317 121.223 0.262 0.000 2.379 186 L HA 0.503 4.842 4.340 -0.001 0.000 0.269 186 L C 0.152 177.217 176.870 0.325 0.000 1.084 186 L CA -0.530 54.471 54.840 0.269 0.000 0.802 186 L CB 1.000 43.236 42.059 0.294 0.000 1.175 186 L HN 0.698 nan 8.230 nan 0.000 0.448 187 D N 0.125 120.638 120.400 0.188 0.000 2.357 187 D HA -0.011 4.629 4.640 -0.001 0.000 0.242 187 D C 0.701 177.153 176.300 0.253 0.000 1.153 187 D CA -0.087 54.009 54.000 0.159 0.000 0.918 187 D CB 0.748 41.585 40.800 0.062 0.000 1.181 187 D HN 0.307 nan 8.370 nan 0.000 0.435 188 Y N 0.790 121.066 120.300 -0.040 0.000 2.274 188 Y HA -0.125 4.425 4.550 -0.001 0.000 0.290 188 Y C 2.307 178.160 175.900 -0.078 0.000 1.145 188 Y CA 0.657 58.703 58.100 -0.091 0.000 1.203 188 Y CB -1.057 37.333 38.460 -0.116 0.000 0.984 188 Y HN 0.453 nan 8.280 nan 0.000 0.533 189 A N 0.086 122.973 122.820 0.111 0.000 1.933 189 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 189 A C 2.054 179.651 177.584 0.022 0.000 1.175 189 A CA 1.946 54.007 52.037 0.039 0.000 0.628 189 A CB -0.589 18.428 19.000 0.029 0.000 0.814 189 A HN 0.351 nan 8.150 nan 0.000 0.444 190 D N -0.392 120.034 120.400 0.044 0.000 2.117 190 D HA -0.114 4.525 4.640 -0.001 0.000 0.198 190 D C 2.066 178.376 176.300 0.016 0.000 0.982 190 D CA 1.376 55.399 54.000 0.038 0.000 0.828 190 D CB -0.322 40.515 40.800 0.062 0.000 0.967 190 D HN 0.500 nan 8.370 nan 0.000 0.464 191 M N 0.840 120.440 119.600 0.001 0.000 2.117 191 M HA -0.130 4.350 4.480 -0.001 0.000 0.262 191 M C 2.419 178.657 176.300 -0.104 0.000 1.065 191 M CA 1.339 56.599 55.300 -0.067 0.000 1.114 191 M CB -0.250 32.263 32.600 -0.144 0.000 1.361 191 M HN -0.055 nan 8.290 nan 0.000 0.408 192 A N 0.391 123.142 122.820 -0.116 0.000 1.972 192 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 192 A C 2.259 179.796 177.584 -0.078 0.000 1.169 192 A CA 2.047 53.997 52.037 -0.145 0.000 0.635 192 A CB -0.879 18.028 19.000 -0.155 0.000 0.810 192 A HN 0.609 nan 8.150 nan 0.000 0.446 193 S N -1.100 114.580 115.700 -0.035 0.000 2.481 193 S HA 0.012 4.482 4.470 -0.001 0.000 0.231 193 S C 1.365 175.976 174.600 0.018 0.000 0.996 193 S CA 1.143 59.341 58.200 -0.004 0.000 0.942 193 S CB -0.264 62.942 63.200 0.009 0.000 0.768 193 S HN 0.218 nan 8.310 nan 0.000 0.520 194 L N 1.547 122.782 121.223 0.020 0.000 2.509 194 L HA 0.375 4.714 4.340 -0.001 0.000 0.222 194 L C 0.496 177.425 176.870 0.098 0.000 1.123 194 L CA 0.162 55.051 54.840 0.083 0.000 0.856 194 L CB -0.351 41.763 42.059 0.093 0.000 0.985 194 L HN 0.158 nan 8.230 nan 0.000 0.456 195 V N 1.265 121.182 119.914 0.005 0.000 2.585 195 V HA -0.032 4.087 4.120 -0.001 0.000 0.296 195 V C 0.809 176.939 176.094 0.060 0.000 1.035 195 V CA -0.269 62.026 62.300 -0.008 0.000 1.084 195 V CB 0.507 32.297 31.823 -0.055 0.000 0.953 195 V HN 0.323 nan 8.190 nan 0.000 0.483 196 N N 4.870 123.625 118.700 0.092 0.000 2.448 196 N HA 0.043 4.783 4.740 -0.001 0.000 0.250 196 N C 1.092 176.650 175.510 0.081 0.000 1.136 196 N CA -0.148 52.966 53.050 0.106 0.000 0.953 196 N CB 1.088 39.660 38.487 0.142 0.000 1.251 196 N HN 0.589 nan 8.380 nan 0.000 0.502 197 Q N 2.685 122.528 119.800 0.072 0.000 2.135 197 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 197 Q C 1.487 177.535 176.000 0.079 0.000 0.981 197 Q CA 1.354 57.204 55.803 0.078 0.000 0.856 197 Q CB -0.068 28.709 28.738 0.065 0.000 0.902 197 Q HN 0.651 nan 8.270 nan 0.000 0.425 198 K N 0.211 120.650 120.400 0.066 0.000 2.057 198 K HA -0.088 4.231 4.320 -0.001 0.000 0.207 198 K C 1.994 178.639 176.600 0.075 0.000 1.049 198 K CA 1.170 57.493 56.287 0.060 0.000 0.931 198 K CB -0.052 32.475 32.500 0.047 0.000 0.714 198 K HN 0.136 nan 8.250 nan 0.000 0.440 199 A N 1.201 124.070 122.820 0.082 0.000 1.898 199 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 199 A C 2.027 179.689 177.584 0.129 0.000 1.181 199 A CA 1.230 53.324 52.037 0.094 0.000 0.620 199 A CB -0.603 18.445 19.000 0.081 0.000 0.819 199 A HN 0.386 nan 8.150 nan 0.000 0.442 200 L N -0.094 121.208 121.223 0.131 0.000 2.046 200 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 200 L C 2.635 179.631 176.870 0.210 0.000 1.077 200 L CA 2.267 57.224 54.840 0.195 0.000 0.747 200 L CB -0.809 41.362 42.059 0.187 0.000 0.896 200 L HN 0.338 nan 8.230 nan 0.000 0.432 201 A N -0.954 121.946 122.820 0.133 0.000 1.933 201 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 201 A C 2.168 179.794 177.584 0.071 0.000 1.175 201 A CA 1.726 53.815 52.037 0.085 0.000 0.628 201 A CB -0.599 18.436 19.000 0.058 0.000 0.814 201 A HN 0.616 nan 8.150 nan 0.000 0.444 202 E N -1.340 118.915 120.200 0.093 0.000 2.106 202 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 202 E C 1.730 178.398 176.600 0.113 0.000 0.984 202 E CA 1.180 57.628 56.400 0.080 0.000 0.806 202 E CB -0.275 29.479 29.700 0.089 0.000 0.750 202 E HN 0.697 nan 8.360 nan 0.000 0.458 203 F N 2.078 122.036 119.950 0.013 0.000 2.095 203 F HA -0.190 4.337 4.527 -0.001 0.000 0.298 203 F C 2.137 177.946 175.800 0.015 0.000 1.104 203 F CA 1.529 59.536 58.000 0.011 0.000 1.232 203 F CB -0.106 38.903 39.000 0.015 0.000 0.987 203 F HN -0.213 nan 8.300 nan 0.000 0.475 204 R N 0.622 120.993 120.500 -0.214 0.000 2.081 204 R HA -0.030 4.309 4.340 -0.001 0.000 0.235 204 R C 2.482 178.682 176.300 -0.166 0.000 1.131 204 R CA 1.505 57.422 56.100 -0.305 0.000 0.960 204 R CB -1.315 28.908 30.300 -0.128 0.000 0.856 204 R HN 0.408 nan 8.270 nan 0.000 0.436 205 A N 1.276 124.038 122.820 -0.096 0.000 2.015 205 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 205 A C 1.732 179.269 177.584 -0.078 0.000 1.163 205 A CA 1.665 53.638 52.037 -0.107 0.000 0.646 205 A CB -0.369 18.565 19.000 -0.109 0.000 0.806 205 A HN 0.442 nan 8.150 nan 0.000 0.448 206 K N -0.532 119.831 120.400 -0.062 0.000 2.426 206 K HA 0.213 4.532 4.320 -0.001 0.000 0.193 206 K C 0.307 176.889 176.600 -0.030 0.000 1.028 206 K CA 0.379 56.631 56.287 -0.059 0.000 1.047 206 K CB 0.060 32.526 32.500 -0.057 0.000 0.821 206 K HN 0.203 nan 8.250 nan 0.000 0.513 207 S N 1.468 117.146 115.700 -0.038 0.000 2.600 207 S HA 0.178 4.647 4.470 -0.001 0.000 0.265 207 S C 0.231 174.915 174.600 0.140 0.000 1.325 207 S CA -0.620 57.569 58.200 -0.019 0.000 1.002 207 S CB 0.458 63.508 63.200 -0.250 0.000 0.921 207 S HN 0.210 nan 8.310 nan 0.000 0.554 208 M N 3.138 122.795 119.600 0.095 0.000 2.269 208 M HA 0.112 4.592 4.480 -0.001 0.000 0.350 208 M C 0.265 176.482 176.300 -0.138 0.000 1.429 208 M CA 0.703 55.985 55.300 -0.029 0.000 1.063 208 M CB -0.215 32.318 32.600 -0.112 0.000 1.841 208 M HN 0.508 nan 8.290 nan 0.000 0.455 209 N N 4.786 123.333 118.700 -0.255 0.000 2.666 209 N HA 0.193 4.933 4.740 -0.001 0.000 0.260 209 N C -2.533 172.749 175.510 -0.380 0.000 1.077 209 N CA -0.945 51.883 53.050 -0.370 0.000 1.026 209 N CB 2.264 40.393 38.487 -0.597 0.000 1.653 209 N HN 0.227 nan 8.380 nan 0.000 0.533 210 P HA -0.064 nan 4.420 nan 0.000 0.228 210 P C 0.463 177.676 177.300 -0.145 0.000 1.151 210 P CA 1.118 64.119 63.100 -0.166 0.000 0.770 210 P CB 0.553 32.184 31.700 -0.116 0.000 0.786 211 E N -0.706 119.378 120.200 -0.193 0.000 2.481 211 E HA -0.053 4.296 4.350 -0.001 0.000 0.195 211 E C 0.542 177.157 176.600 0.025 0.000 1.047 211 E CA 0.238 56.597 56.400 -0.068 0.000 0.867 211 E CB -0.018 29.681 29.700 -0.003 0.000 0.858 211 E HN 0.599 nan 8.360 nan 0.000 0.513 212 H N -1.798 117.273 119.070 0.002 0.000 2.927 212 H HA 0.221 4.776 4.556 -0.001 0.000 0.213 212 H C -2.986 172.373 175.328 0.052 0.000 1.363 212 H CA -1.688 54.372 56.048 0.020 0.000 1.369 212 H CB -0.390 29.382 29.762 0.017 0.000 2.040 212 H HN -0.060 nan 8.280 nan 0.000 0.544 213 P HA 0.147 nan 4.420 nan 0.000 0.272 213 P C -0.122 177.238 177.300 0.099 0.000 1.230 213 P CA 0.425 63.513 63.100 -0.020 0.000 0.788 213 P CB 1.637 33.291 31.700 -0.077 0.000 0.949 214 H N -1.951 117.115 119.070 -0.007 0.000 2.966 214 H HA 0.529 5.085 4.556 -0.001 0.000 0.330 214 H C -1.601 173.727 175.328 -0.001 0.000 1.292 214 H CA -1.085 54.967 56.048 0.008 0.000 1.127 214 H CB 0.720 30.496 29.762 0.023 0.000 1.863 214 H HN 0.102 nan 8.280 nan 0.000 0.543 215 V N 2.152 122.109 119.914 0.072 0.000 2.459 215 V HA 0.460 4.579 4.120 -0.001 0.000 0.295 215 V C 0.256 176.415 176.094 0.108 0.000 1.029 215 V CA -0.801 61.503 62.300 0.006 0.000 0.874 215 V CB 1.400 33.239 31.823 0.026 0.000 0.985 215 V HN 0.840 nan 8.190 nan 0.000 0.438 216 R N 2.786 123.317 120.500 0.052 0.000 2.807 216 R HA 0.766 5.105 4.340 -0.001 0.000 0.276 216 R C 0.324 176.670 176.300 0.077 0.000 0.979 216 R CA -0.195 55.975 56.100 0.117 0.000 0.928 216 R CB 1.914 32.313 30.300 0.165 0.000 1.191 216 R HN 1.140 nan 8.270 nan 0.000 0.471 217 G N 1.463 110.322 108.800 0.099 0.000 2.291 217 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.271 217 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.271 217 G C 0.061 175.003 174.900 0.070 0.000 1.099 217 G CA 0.341 45.496 45.100 0.092 0.000 0.919 217 G HN 1.076 nan 8.290 nan 0.000 0.496 218 T N -2.147 112.451 114.554 0.074 0.000 2.788 218 T HA 0.755 5.104 4.350 -0.001 0.000 0.287 218 T C 0.577 175.319 174.700 0.070 0.000 1.007 218 T CA 0.386 62.523 62.100 0.063 0.000 1.005 218 T CB 2.076 70.983 68.868 0.065 0.000 1.012 218 T HN 1.839 nan 8.240 nan 0.000 0.530 219 A N 1.336 124.190 122.820 0.055 0.000 2.288 219 A HA 0.597 4.916 4.320 -0.001 0.000 0.320 219 A C -0.154 177.468 177.584 0.064 0.000 1.217 219 A CA -0.854 51.213 52.037 0.050 0.000 0.840 219 A CB 0.669 19.683 19.000 0.023 0.000 1.179 219 A HN 0.847 nan 8.150 nan 0.000 0.504 220 Q N 1.704 121.557 119.800 0.089 0.000 2.365 220 Q HA 0.338 4.678 4.340 -0.001 0.000 0.269 220 Q C -0.714 175.333 176.000 0.078 0.000 1.061 220 Q CA -1.072 54.800 55.803 0.116 0.000 0.816 220 Q CB 1.957 30.825 28.738 0.218 0.000 1.325 220 Q HN 0.800 nan 8.270 nan 0.000 0.446 221 N N 1.275 120.020 118.700 0.075 0.000 2.413 221 N HA 0.184 4.923 4.740 -0.001 0.000 0.266 221 N C -1.860 173.702 175.510 0.086 0.000 1.238 221 N CA -1.563 51.516 53.050 0.050 0.000 0.972 221 N CB 0.232 38.743 38.487 0.040 0.000 1.210 221 N HN 0.281 nan 8.380 nan 0.000 0.547 222 P HA -0.136 nan 4.420 nan 0.000 0.219 222 P C 0.536 177.910 177.300 0.123 0.000 1.146 222 P CA 1.156 64.312 63.100 0.094 0.000 0.808 222 P CB 0.126 31.859 31.700 0.055 0.000 0.779 223 D N 0.168 120.624 120.400 0.092 0.000 2.149 223 D HA -0.177 4.462 4.640 -0.001 0.000 0.198 223 D C 1.649 178.005 176.300 0.094 0.000 0.990 223 D CA 1.451 55.500 54.000 0.081 0.000 0.839 223 D CB -1.060 39.774 40.800 0.056 0.000 0.948 223 D HN 0.364 nan 8.370 nan 0.000 0.460 224 I N -5.051 115.591 120.570 0.120 0.000 4.439 224 I HA 0.285 4.455 4.170 -0.001 0.000 0.331 224 I C 1.812 178.020 176.117 0.151 0.000 1.345 224 I CA -0.709 60.657 61.300 0.111 0.000 1.193 224 I CB -0.089 37.958 38.000 0.079 0.000 1.221 224 I HN -0.189 nan 8.210 nan 0.000 0.429 225 Y N 2.137 122.492 120.300 0.091 0.000 2.097 225 Y HA -0.271 4.279 4.550 -0.001 0.000 0.282 225 Y C 2.296 178.300 175.900 0.173 0.000 1.152 225 Y CA 2.548 60.708 58.100 0.099 0.000 1.136 225 Y CB -0.494 38.004 38.460 0.064 0.000 0.975 225 Y HN 0.263 nan 8.280 nan 0.000 0.498 226 F N 0.541 120.513 119.950 0.036 0.000 2.091 226 F HA -0.401 4.125 4.527 -0.001 0.000 0.299 226 F C 2.236 177.973 175.800 -0.105 0.000 1.103 226 F CA 1.631 59.606 58.000 -0.041 0.000 1.228 226 F CB -0.110 38.923 39.000 0.055 0.000 0.984 226 F HN 0.200 nan 8.300 nan 0.000 0.477 227 Q N 0.182 120.033 119.800 0.086 0.000 2.096 227 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 227 Q C 2.362 178.350 176.000 -0.021 0.000 0.982 227 Q CA 1.684 57.466 55.803 -0.034 0.000 0.850 227 Q CB -0.939 27.776 28.738 -0.038 0.000 0.901 227 Q HN 0.543 nan 8.270 nan 0.000 0.422 228 G N 0.222 108.994 108.800 -0.047 0.000 2.432 228 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.219 228 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.219 228 G C 1.526 176.360 174.900 -0.110 0.000 1.135 228 G CA 0.733 45.787 45.100 -0.075 0.000 0.767 228 G HN 0.160 nan 8.290 nan 0.000 0.550 229 R N 0.426 120.812 120.500 -0.191 0.000 2.115 229 R HA 0.042 4.381 4.340 -0.001 0.000 0.226 229 R C 2.181 178.474 176.300 -0.012 0.000 1.100 229 R CA 1.043 57.047 56.100 -0.161 0.000 0.980 229 R CB -0.075 30.066 30.300 -0.265 0.000 0.875 229 R HN 0.221 nan 8.270 nan 0.000 0.445 230 E N -0.327 119.899 120.200 0.045 0.000 2.385 230 E HA 0.041 4.391 4.350 -0.001 0.000 0.194 230 E C 1.589 178.221 176.600 0.054 0.000 1.013 230 E CA 0.743 57.179 56.400 0.060 0.000 0.866 230 E CB 0.197 29.927 29.700 0.048 0.000 0.832 230 E HN 0.399 nan 8.360 nan 0.000 0.500 231 A N 1.312 124.158 122.820 0.043 0.000 2.131 231 A HA -0.065 4.254 4.320 -0.001 0.000 0.220 231 A C 2.202 179.872 177.584 0.144 0.000 1.158 231 A CA 1.542 53.621 52.037 0.070 0.000 0.665 231 A CB -0.231 18.797 19.000 0.047 0.000 0.795 231 A HN 0.204 nan 8.150 nan 0.000 0.460 232 A N -0.500 122.416 122.820 0.160 0.000 2.251 232 A HA 0.071 4.390 4.320 -0.001 0.000 0.209 232 A C 1.558 179.374 177.584 0.387 0.000 1.187 232 A CA 0.656 52.864 52.037 0.285 0.000 0.823 232 A CB -0.426 18.715 19.000 0.235 0.000 0.846 232 A HN 0.474 nan 8.150 nan 0.000 0.486 233 N N 1.320 120.163 118.700 0.238 0.000 2.069 233 N HA -0.165 4.575 4.740 -0.001 0.000 0.196 233 N C -0.914 174.715 175.510 0.198 0.000 1.024 233 N CA 2.067 55.236 53.050 0.199 0.000 0.869 233 N CB -1.623 36.925 38.487 0.101 0.000 1.035 233 N HN 0.324 nan 8.380 nan 0.000 0.434 234 P HA -0.114 nan 4.420 nan 0.000 0.216 234 P C 1.079 178.328 177.300 -0.085 0.000 1.150 234 P CA 1.151 64.236 63.100 -0.025 0.000 0.843 234 P CB -0.145 31.472 31.700 -0.138 0.000 0.787 235 Y N -2.768 117.553 120.300 0.036 0.000 2.242 235 Y HA -0.179 4.370 4.550 -0.001 0.000 0.291 235 Y C 2.281 178.110 175.900 -0.119 0.000 1.137 235 Y CA 1.285 59.350 58.100 -0.058 0.000 1.181 235 Y CB -1.171 37.217 38.460 -0.120 0.000 0.989 235 Y HN -0.010 nan 8.280 nan 0.000 0.527 236 Y N -0.776 119.602 120.300 0.130 0.000 2.314 236 Y HA -0.134 4.415 4.550 -0.001 0.000 0.293 236 Y C 2.118 178.041 175.900 0.037 0.000 1.129 236 Y CA 0.922 59.057 58.100 0.059 0.000 1.201 236 Y CB -0.433 38.049 38.460 0.035 0.000 0.999 236 Y HN 0.058 nan 8.280 nan 0.000 0.541 237 L N -0.306 121.013 121.223 0.160 0.000 2.201 237 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 237 L C 1.860 178.760 176.870 0.051 0.000 1.105 237 L CA 1.453 56.347 54.840 0.091 0.000 0.775 237 L CB -0.305 41.788 42.059 0.058 0.000 0.913 237 L HN 0.172 nan 8.230 nan 0.000 0.440 238 K N -0.569 119.845 120.400 0.023 0.000 2.323 238 K HA -0.027 4.292 4.320 -0.001 0.000 0.197 238 K C 2.006 178.626 176.600 0.034 0.000 1.043 238 K CA 0.739 57.030 56.287 0.007 0.000 0.997 238 K CB 0.203 32.678 32.500 -0.040 0.000 0.807 238 K HN 0.223 nan 8.250 nan 0.000 0.497 239 V N -0.292 119.646 119.914 0.040 0.000 2.392 239 V HA -0.116 4.004 4.120 -0.001 0.000 0.249 239 V C -1.115 175.049 176.094 0.116 0.000 1.059 239 V CA 1.136 63.485 62.300 0.082 0.000 1.051 239 V CB -1.413 30.430 31.823 0.033 0.000 0.658 239 V HN 0.072 nan 8.190 nan 0.000 0.455 240 P HA -0.009 nan 4.420 nan 0.000 0.215 240 P C 1.944 179.293 177.300 0.082 0.000 1.157 240 P CA 2.184 65.337 63.100 0.088 0.000 0.863 240 P CB -0.602 31.143 31.700 0.075 0.000 0.787 241 G N -0.521 108.315 108.800 0.061 0.000 2.422 241 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.218 241 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.218 241 G C 1.525 176.445 174.900 0.033 0.000 1.140 241 G CA 0.428 45.552 45.100 0.040 0.000 0.775 241 G HN 0.225 nan 8.290 nan 0.000 0.545 242 I N 0.289 120.895 120.570 0.060 0.000 2.252 242 I HA -0.139 4.030 4.170 -0.001 0.000 0.245 242 I C 2.746 178.952 176.117 0.148 0.000 1.102 242 I CA 0.450 61.798 61.300 0.081 0.000 1.385 242 I CB -0.196 37.887 38.000 0.139 0.000 1.064 242 I HN 0.019 nan 8.210 nan 0.000 0.414 243 V N 1.072 121.088 119.914 0.170 0.000 2.343 243 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 243 V C 2.721 178.891 176.094 0.127 0.000 1.051 243 V CA 2.035 64.439 62.300 0.173 0.000 1.036 243 V CB -0.987 30.953 31.823 0.196 0.000 0.654 243 V HN 0.494 nan 8.190 nan 0.000 0.451 244 A N -0.127 122.747 122.820 0.090 0.000 1.902 244 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 244 A C 2.191 179.800 177.584 0.041 0.000 1.181 244 A CA 2.097 54.176 52.037 0.072 0.000 0.623 244 A CB -0.518 18.518 19.000 0.060 0.000 0.818 244 A HN 0.552 nan 8.150 nan 0.000 0.443 245 E N -0.842 119.348 120.200 -0.017 0.000 2.077 245 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 245 E C 1.609 178.120 176.600 -0.150 0.000 0.989 245 E CA 1.568 57.897 56.400 -0.118 0.000 0.800 245 E CB -0.506 29.055 29.700 -0.232 0.000 0.746 245 E HN 0.739 nan 8.360 nan 0.000 0.452 246 Y N -0.492 119.808 120.300 0.001 0.000 2.373 246 Y HA -0.065 4.484 4.550 -0.001 0.000 0.293 246 Y C 2.225 178.134 175.900 0.015 0.000 1.129 246 Y CA 0.995 59.089 58.100 -0.012 0.000 1.226 246 Y CB -0.037 38.389 38.460 -0.056 0.000 1.000 246 Y HN 0.069 nan 8.280 nan 0.000 0.549 247 M N -0.571 119.130 119.600 0.169 0.000 2.159 247 M HA -0.275 4.204 4.480 -0.001 0.000 0.263 247 M C 1.972 178.369 176.300 0.161 0.000 1.063 247 M CA 1.745 57.152 55.300 0.178 0.000 1.110 247 M CB -0.315 32.397 32.600 0.187 0.000 1.374 247 M HN 0.300 nan 8.290 nan 0.000 0.411 248 Q N 0.144 120.003 119.800 0.098 0.000 2.083 248 Q HA -0.122 4.218 4.340 -0.001 0.000 0.198 248 Q C 1.976 178.010 176.000 0.057 0.000 0.969 248 Q CA 1.155 56.996 55.803 0.063 0.000 0.838 248 Q CB -0.019 28.733 28.738 0.024 0.000 0.900 248 Q HN 0.480 nan 8.270 nan 0.000 0.436 249 K N 0.025 120.456 120.400 0.051 0.000 2.057 249 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 249 K C 2.054 178.714 176.600 0.099 0.000 1.050 249 K CA 1.204 57.527 56.287 0.060 0.000 0.935 249 K CB -0.003 32.534 32.500 0.062 0.000 0.715 249 K HN 0.017 nan 8.250 nan 0.000 0.439 250 V N 1.323 121.318 119.914 0.134 0.000 2.427 250 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 250 V C 2.297 178.468 176.094 0.129 0.000 1.051 250 V CA 1.908 64.289 62.300 0.134 0.000 1.048 250 V CB -0.576 31.334 31.823 0.146 0.000 0.666 250 V HN 0.334 nan 8.190 nan 0.000 0.456 251 A N 0.862 123.757 122.820 0.125 0.000 1.972 251 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 251 A C 2.511 180.131 177.584 0.060 0.000 1.169 251 A CA 2.014 54.105 52.037 0.089 0.000 0.635 251 A CB -0.701 18.339 19.000 0.066 0.000 0.810 251 A HN 0.690 nan 8.150 nan 0.000 0.446 252 S N -0.481 115.253 115.700 0.056 0.000 2.469 252 S HA -0.010 4.459 4.470 -0.001 0.000 0.238 252 S C 1.612 176.238 174.600 0.044 0.000 0.998 252 S CA 1.396 59.621 58.200 0.041 0.000 0.957 252 S CB -0.439 62.781 63.200 0.034 0.000 0.764 252 S HN 0.476 nan 8.310 nan 0.000 0.514 253 L N 0.968 122.226 121.223 0.059 0.000 2.425 253 L HA 0.134 4.473 4.340 -0.001 0.000 0.215 253 L C 2.858 179.766 176.870 0.063 0.000 1.065 253 L CA 1.163 56.039 54.840 0.060 0.000 0.842 253 L CB -0.450 41.653 42.059 0.073 0.000 1.033 253 L HN 0.552 nan 8.230 nan 0.000 0.474 254 T N -4.548 110.052 114.554 0.076 0.000 3.023 254 T HA 0.228 4.578 4.350 -0.001 0.000 0.249 254 T C 1.524 176.252 174.700 0.047 0.000 1.050 254 T CA 0.704 62.848 62.100 0.073 0.000 1.088 254 T CB 0.790 69.727 68.868 0.116 0.000 0.946 254 T HN 0.349 nan 8.240 nan 0.000 0.480 255 G N 1.788 110.610 108.800 0.036 0.000 2.176 255 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.253 255 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.253 255 G C 0.116 175.004 174.900 -0.019 0.000 0.979 255 G CA -0.142 44.965 45.100 0.012 0.000 0.641 255 G HN 0.674 nan 8.290 nan 0.000 0.530 256 R N 1.074 121.559 120.500 -0.025 0.000 2.246 256 R HA 0.544 4.883 4.340 -0.001 0.000 0.332 256 R C -0.336 175.790 176.300 -0.289 0.000 0.974 256 R CA -0.197 55.812 56.100 -0.152 0.000 0.837 256 R CB 1.297 31.554 30.300 -0.072 0.000 1.145 256 R HN 0.190 nan 8.270 nan 0.000 0.467 257 S N 2.449 117.937 115.700 -0.352 0.000 2.585 257 S HA 0.520 4.989 4.470 -0.001 0.000 0.277 257 S C -0.894 173.403 174.600 -0.505 0.000 1.241 257 S CA -0.392 57.644 58.200 -0.273 0.000 1.041 257 S CB 0.681 63.817 63.200 -0.107 0.000 0.987 257 S HN 0.357 nan 8.310 nan 0.000 0.512 258 Y N 0.195 120.527 120.300 0.054 0.000 2.588 258 Y HA 0.556 5.105 4.550 -0.001 0.000 0.343 258 Y C 0.122 176.056 175.900 0.057 0.000 1.065 258 Y CA -1.085 57.049 58.100 0.056 0.000 1.038 258 Y CB 1.691 40.180 38.460 0.050 0.000 1.297 258 Y HN 0.421 nan 8.280 nan 0.000 0.467 259 K N 0.715 121.256 120.400 0.235 0.000 2.433 259 K HA 0.491 4.810 4.320 -0.001 0.000 0.252 259 K C 0.312 176.982 176.600 0.116 0.000 1.015 259 K CA -0.872 55.512 56.287 0.162 0.000 0.860 259 K CB 2.095 34.690 32.500 0.157 0.000 1.359 259 K HN 0.540 nan 8.250 nan 0.000 0.452 260 L N 0.368 121.636 121.223 0.075 0.000 2.127 260 L HA -0.040 4.299 4.340 -0.001 0.000 0.211 260 L C 0.116 176.782 176.870 -0.340 0.000 1.089 260 L CA 1.536 56.315 54.840 -0.101 0.000 0.757 260 L CB -0.195 41.837 42.059 -0.045 0.000 0.899 260 L HN 0.376 nan 8.230 nan 0.000 0.434 261 F N -1.105 118.899 119.950 0.091 0.000 2.561 261 F HA 0.396 4.922 4.527 -0.001 0.000 0.313 261 F C -0.406 175.470 175.800 0.128 0.000 1.126 261 F CA -1.045 57.026 58.000 0.118 0.000 0.918 261 F CB 1.694 40.755 39.000 0.101 0.000 1.199 261 F HN -0.224 nan 8.300 nan 0.000 0.444 262 D N 1.952 122.538 120.400 0.310 0.000 2.498 262 D HA 0.193 4.833 4.640 -0.001 0.000 0.247 262 D C -1.544 174.911 176.300 0.259 0.000 1.070 262 D CA -0.335 53.813 54.000 0.247 0.000 0.842 262 D CB 2.702 43.619 40.800 0.195 0.000 1.361 262 D HN 0.490 nan 8.370 nan 0.000 0.484 263 Y N 1.962 122.332 120.300 0.115 0.000 2.360 263 Y HA 0.471 5.021 4.550 -0.001 0.000 0.337 263 Y C -0.705 175.247 175.900 0.087 0.000 1.039 263 Y CA -0.600 57.559 58.100 0.098 0.000 1.109 263 Y CB 1.178 39.674 38.460 0.061 0.000 1.201 263 Y HN 0.175 nan 8.280 nan 0.000 0.458 264 V N 2.932 122.391 119.914 -0.757 0.000 2.841 264 V HA 1.062 5.181 4.120 -0.001 0.000 0.310 264 V C -0.245 175.427 176.094 -0.704 0.000 1.090 264 V CA -0.085 61.926 62.300 -0.482 0.000 0.930 264 V CB 1.097 32.811 31.823 -0.181 0.000 1.014 264 V HN 1.489 nan 8.190 nan 0.000 0.425 265 G N 1.680 110.302 108.800 -0.296 0.000 2.331 265 G HA2 0.505 4.465 3.960 -0.001 0.000 0.479 265 G HA3 0.505 4.465 3.960 -0.001 0.000 0.479 265 G C -0.040 174.915 174.900 0.091 0.000 1.262 265 G CA -0.152 44.871 45.100 -0.128 0.000 1.029 265 G HN 2.296 nan 8.290 nan 0.000 0.487 266 A N 0.449 123.343 122.820 0.124 0.000 2.524 266 A HA 0.587 4.907 4.320 -0.001 0.000 0.250 266 A C -0.592 177.138 177.584 0.244 0.000 1.078 266 A CA 0.412 52.537 52.037 0.146 0.000 0.761 266 A CB 0.107 19.159 19.000 0.088 0.000 1.012 266 A HN 0.447 nan 8.150 nan 0.000 0.500 267 P HA -0.091 nan 4.420 nan 0.000 0.222 267 P C 0.284 177.607 177.300 0.039 0.000 1.147 267 P CA 1.437 64.602 63.100 0.108 0.000 0.790 267 P CB 0.171 31.913 31.700 0.071 0.000 0.780 268 D N -1.493 118.942 120.400 0.059 0.000 2.643 268 D HA 0.201 4.840 4.640 -0.001 0.000 0.244 268 D C 0.090 176.426 176.300 0.059 0.000 1.257 268 D CA -0.684 53.339 54.000 0.039 0.000 0.831 268 D CB -0.567 40.251 40.800 0.031 0.000 1.043 268 D HN -0.066 nan 8.370 nan 0.000 0.488 269 A N 0.523 123.402 122.820 0.099 0.000 2.511 269 A HA 0.105 4.424 4.320 -0.001 0.000 0.242 269 A C 0.944 178.592 177.584 0.105 0.000 1.069 269 A CA -0.032 52.082 52.037 0.128 0.000 0.763 269 A CB 0.407 19.553 19.000 0.244 0.000 1.001 269 A HN 0.253 nan 8.150 nan 0.000 0.498 270 E N 0.915 121.174 120.200 0.098 0.000 2.389 270 E HA 0.037 4.386 4.350 -0.001 0.000 0.199 270 E C -0.007 176.666 176.600 0.121 0.000 0.978 270 E CA 0.354 56.809 56.400 0.091 0.000 0.912 270 E CB 0.350 30.091 29.700 0.067 0.000 0.907 270 E HN 0.665 nan 8.360 nan 0.000 0.494 271 R N 1.045 121.641 120.500 0.160 0.000 2.409 271 R HA 0.449 4.789 4.340 -0.001 0.000 0.313 271 R C -1.261 175.231 176.300 0.320 0.000 0.953 271 R CA -0.395 55.838 56.100 0.222 0.000 0.849 271 R CB 2.380 32.833 30.300 0.256 0.000 1.171 271 R HN -0.150 nan 8.270 nan 0.000 0.458 272 V N 4.909 124.998 119.914 0.291 0.000 2.735 272 V HA 0.519 4.639 4.120 -0.001 0.000 0.310 272 V C -0.064 176.183 176.094 0.256 0.000 1.061 272 V CA -0.803 61.697 62.300 0.334 0.000 0.913 272 V CB 2.444 34.463 31.823 0.327 0.000 1.005 272 V HN 0.628 nan 8.190 nan 0.000 0.428 273 I N 3.333 124.044 120.570 0.235 0.000 2.460 273 I HA 0.526 4.696 4.170 -0.001 0.000 0.298 273 I C -0.773 175.475 176.117 0.218 0.000 0.989 273 I CA -0.867 60.511 61.300 0.131 0.000 1.173 273 I CB 2.128 40.118 38.000 -0.017 0.000 1.338 273 I HN 0.261 nan 8.210 nan 0.000 0.456 274 V N 4.855 124.912 119.914 0.237 0.000 2.409 274 V HA 0.509 4.629 4.120 -0.001 0.000 0.291 274 V C -0.158 176.090 176.094 0.257 0.000 1.020 274 V CA -0.171 62.322 62.300 0.323 0.000 0.848 274 V CB 1.434 33.511 31.823 0.423 0.000 0.990 274 V HN 0.811 nan 8.190 nan 0.000 0.430 275 S N 4.548 120.403 115.700 0.259 0.000 2.671 275 S HA 0.874 5.344 4.470 -0.001 0.000 0.277 275 S C -1.188 173.573 174.600 0.268 0.000 1.165 275 S CA -0.660 57.668 58.200 0.214 0.000 0.822 275 S CB 1.970 65.215 63.200 0.076 0.000 1.150 275 S HN 0.735 nan 8.310 nan 0.000 0.479 276 M N 1.753 121.529 119.600 0.293 0.000 2.371 276 M HA 0.607 5.087 4.480 -0.001 0.000 0.287 276 M C -0.282 176.241 176.300 0.372 0.000 1.149 276 M CA 0.683 56.166 55.300 0.304 0.000 0.929 276 M CB 1.449 34.237 32.600 0.313 0.000 1.683 276 M HN 1.202 nan 8.290 nan 0.000 0.470 277 G N 1.694 110.648 108.800 0.257 0.000 2.627 277 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.214 277 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.214 277 G C 0.274 175.321 174.900 0.244 0.000 1.331 277 G CA 0.188 45.459 45.100 0.285 0.000 0.891 277 G HN 1.391 nan 8.290 nan 0.000 0.539 278 S N -0.513 115.340 115.700 0.255 0.000 2.420 278 S HA -0.167 4.303 4.470 -0.001 0.000 0.237 278 S C 2.656 177.395 174.600 0.232 0.000 1.023 278 S CA 2.722 61.056 58.200 0.223 0.000 0.991 278 S CB -0.763 62.570 63.200 0.222 0.000 0.792 278 S HN 2.350 nan 8.310 nan 0.000 0.488 279 S N 0.956 116.806 115.700 0.250 0.000 2.400 279 S HA -0.151 4.318 4.470 -0.001 0.000 0.232 279 S C 1.970 176.709 174.600 0.232 0.000 1.025 279 S CA 1.036 59.388 58.200 0.253 0.000 0.993 279 S CB -1.567 61.578 63.200 -0.090 0.000 0.808 279 S HN 0.693 nan 8.310 nan 0.000 0.478 280 C N 1.968 121.379 119.300 0.186 0.000 2.413 280 C HA -0.006 4.454 4.460 -0.001 0.000 0.277 280 C C 2.981 178.067 174.990 0.159 0.000 1.265 280 C CA 0.729 59.848 59.018 0.168 0.000 1.752 280 C CB -1.201 26.636 27.740 0.161 0.000 1.998 280 C HN 0.599 nan 8.230 nan 0.000 0.489 281 E N 0.393 120.690 120.200 0.161 0.000 2.047 281 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 281 E C 2.238 178.928 176.600 0.150 0.000 0.987 281 E CA 1.586 58.067 56.400 0.134 0.000 0.799 281 E CB -0.703 29.067 29.700 0.118 0.000 0.752 281 E HN 0.592 nan 8.360 nan 0.000 0.449 282 T N 1.778 116.452 114.554 0.201 0.000 2.777 282 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 282 T C 2.134 176.923 174.700 0.149 0.000 1.040 282 T CA 0.768 62.997 62.100 0.215 0.000 1.141 282 T CB -0.177 68.835 68.868 0.240 0.000 0.868 282 T HN 0.093 nan 8.240 nan 0.000 0.444 283 I N 0.941 121.617 120.570 0.177 0.000 2.179 283 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 283 I C 2.724 178.937 176.117 0.160 0.000 1.088 283 I CA 1.471 62.881 61.300 0.182 0.000 1.357 283 I CB -0.367 37.759 38.000 0.210 0.000 1.051 283 I HN 0.320 nan 8.210 nan 0.000 0.409 284 E N 1.008 121.283 120.200 0.127 0.000 2.110 284 E HA -0.297 4.052 4.350 -0.001 0.000 0.193 284 E C 2.125 178.773 176.600 0.081 0.000 0.988 284 E CA 1.345 57.795 56.400 0.083 0.000 0.804 284 E CB -0.013 29.723 29.700 0.060 0.000 0.745 284 E HN 0.451 nan 8.360 nan 0.000 0.458 285 E N -0.165 120.094 120.200 0.098 0.000 2.077 285 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 285 E C 2.041 178.707 176.600 0.110 0.000 0.989 285 E CA 1.332 57.790 56.400 0.097 0.000 0.800 285 E CB 0.175 29.951 29.700 0.125 0.000 0.746 285 E HN 0.181 nan 8.360 nan 0.000 0.452 286 V N 1.304 121.291 119.914 0.122 0.000 2.358 286 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 286 V C 2.381 178.564 176.094 0.149 0.000 1.047 286 V CA 1.472 63.865 62.300 0.155 0.000 1.035 286 V CB -0.371 31.551 31.823 0.166 0.000 0.658 286 V HN 0.336 nan 8.190 nan 0.000 0.452 287 I N 0.691 121.317 120.570 0.092 0.000 2.208 287 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 287 I C 2.352 178.484 176.117 0.025 0.000 1.097 287 I CA 1.483 62.788 61.300 0.008 0.000 1.363 287 I CB -0.541 37.457 38.000 -0.002 0.000 1.051 287 I HN 0.375 nan 8.210 nan 0.000 0.413 288 N N -0.148 118.584 118.700 0.053 0.000 2.223 288 N HA -0.235 4.504 4.740 -0.001 0.000 0.185 288 N C 1.807 177.354 175.510 0.062 0.000 1.016 288 N CA 1.223 54.299 53.050 0.044 0.000 0.863 288 N CB -0.603 37.911 38.487 0.046 0.000 0.983 288 N HN 0.509 nan 8.380 nan 0.000 0.429 289 H N 0.847 119.920 119.070 0.004 0.000 2.343 289 H HA 0.105 4.661 4.556 -0.001 0.000 0.303 289 H C 1.986 177.315 175.328 0.003 0.000 1.068 289 H CA 0.850 56.897 56.048 -0.001 0.000 1.359 289 H CB -0.040 29.720 29.762 -0.003 0.000 1.402 289 H HN 0.105 nan 8.280 nan 0.000 0.515 290 L N 0.303 121.606 121.223 0.133 0.000 2.131 290 L HA -0.011 4.329 4.340 -0.001 0.000 0.206 290 L C 3.090 179.929 176.870 -0.053 0.000 1.087 290 L CA 0.783 55.649 54.840 0.042 0.000 0.767 290 L CB -0.500 41.602 42.059 0.071 0.000 0.917 290 L HN 0.254 nan 8.230 nan 0.000 0.441 291 A N 0.289 123.078 122.820 -0.052 0.000 1.972 291 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 291 A C 2.458 180.012 177.584 -0.050 0.000 1.169 291 A CA 1.568 53.575 52.037 -0.051 0.000 0.635 291 A CB -0.558 18.420 19.000 -0.036 0.000 0.810 291 A HN 0.387 nan 8.150 nan 0.000 0.446 292 A N -0.514 122.266 122.820 -0.068 0.000 2.121 292 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 292 A C 1.833 179.365 177.584 -0.088 0.000 1.154 292 A CA 1.438 53.429 52.037 -0.076 0.000 0.679 292 A CB -0.270 18.671 19.000 -0.099 0.000 0.795 292 A HN 0.524 nan 8.150 nan 0.000 0.458 293 K N -1.539 118.801 120.400 -0.101 0.000 2.372 293 K HA 0.292 4.611 4.320 -0.001 0.000 0.200 293 K C 0.972 177.544 176.600 -0.046 0.000 1.022 293 K CA 0.430 56.668 56.287 -0.083 0.000 1.125 293 K CB 0.247 32.688 32.500 -0.098 0.000 0.855 293 K HN 0.556 nan 8.250 nan 0.000 0.524 294 G N 1.518 110.295 108.800 -0.039 0.000 2.194 294 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.236 294 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.236 294 G C -0.282 174.604 174.900 -0.022 0.000 0.987 294 G CA -0.401 44.684 45.100 -0.024 0.000 0.635 294 G HN 0.346 nan 8.290 nan 0.000 0.520 295 E N 1.376 121.554 120.200 -0.036 0.000 2.366 295 E HA 0.203 4.552 4.350 -0.001 0.000 0.266 295 E C 0.031 176.603 176.600 -0.046 0.000 1.015 295 E CA 0.021 56.393 56.400 -0.047 0.000 0.906 295 E CB 0.457 30.109 29.700 -0.080 0.000 0.979 295 E HN 0.096 nan 8.360 nan 0.000 0.443 296 K N 4.398 124.785 120.400 -0.022 0.000 2.307 296 K HA 0.231 4.551 4.320 -0.001 0.000 0.240 296 K C 0.210 176.816 176.600 0.010 0.000 1.214 296 K CA 0.033 56.325 56.287 0.009 0.000 1.149 296 K CB -0.938 31.580 32.500 0.030 0.000 1.668 296 K HN 0.458 nan 8.250 nan 0.000 0.314 297 I N -3.081 117.463 120.570 -0.043 0.000 2.892 297 I HA 0.858 5.028 4.170 -0.001 0.000 0.306 297 I C -0.002 176.134 176.117 0.033 0.000 1.078 297 I CA -1.121 60.134 61.300 -0.075 0.000 1.032 297 I CB 2.595 40.259 38.000 -0.560 0.000 1.229 297 I HN 0.213 nan 8.210 nan 0.000 0.435 298 G N 2.762 111.669 108.800 0.178 0.000 2.687 298 G HA2 0.672 4.632 3.960 -0.001 0.000 0.291 298 G HA3 0.672 4.632 3.960 -0.001 0.000 0.291 298 G C -2.233 172.774 174.900 0.178 0.000 1.420 298 G CA -0.752 44.421 45.100 0.121 0.000 0.796 298 G HN 0.780 nan 8.290 nan 0.000 0.485 299 L N -0.491 120.673 121.223 -0.098 0.000 2.482 299 L HA 0.758 5.098 4.340 -0.001 0.000 0.263 299 L C -1.435 175.473 176.870 0.062 0.000 0.957 299 L CA -0.651 54.230 54.840 0.069 0.000 0.836 299 L CB 1.946 44.053 42.059 0.081 0.000 1.324 299 L HN 0.495 nan 8.230 nan 0.000 0.406 300 I N 4.479 125.201 120.570 0.254 0.000 2.330 300 I HA 0.375 4.544 4.170 -0.001 0.000 0.289 300 I C -0.353 175.960 176.117 0.328 0.000 1.001 300 I CA -0.671 60.827 61.300 0.329 0.000 1.193 300 I CB 1.330 39.550 38.000 0.367 0.000 1.345 300 I HN 0.562 nan 8.210 nan 0.000 0.461 301 K N 5.748 126.323 120.400 0.291 0.000 2.227 301 K HA 0.449 4.768 4.320 -0.001 0.000 0.280 301 K C -0.792 175.985 176.600 0.296 0.000 1.041 301 K CA -0.620 55.824 56.287 0.260 0.000 0.905 301 K CB 1.980 34.597 32.500 0.194 0.000 1.068 301 K HN 0.298 nan 8.250 nan 0.000 0.470 302 V N 4.730 124.812 119.914 0.280 0.000 2.406 302 V HA 0.139 4.259 4.120 -0.001 0.000 0.272 302 V C 0.808 176.902 176.094 -0.000 0.000 1.043 302 V CA -0.295 62.099 62.300 0.156 0.000 0.915 302 V CB 1.057 33.087 31.823 0.345 0.000 0.988 302 V HN 0.714 nan 8.190 nan 0.000 0.466 303 R N 3.266 123.661 120.500 -0.176 0.000 2.056 303 R HA 0.317 4.656 4.340 -0.001 0.000 0.215 303 R C 0.288 176.517 176.300 -0.118 0.000 1.205 303 R CA 0.136 56.166 56.100 -0.118 0.000 1.020 303 R CB -0.187 30.060 30.300 -0.088 0.000 0.911 303 R HN 0.538 nan 8.270 nan 0.000 0.451 304 L N 1.582 122.664 121.223 -0.235 0.000 2.282 304 L HA 0.188 4.527 4.340 -0.001 0.000 0.287 304 L C 0.161 176.978 176.870 -0.087 0.000 1.075 304 L CA -0.107 54.663 54.840 -0.116 0.000 0.839 304 L CB 0.681 42.670 42.059 -0.117 0.000 1.219 304 L HN 0.220 nan 8.230 nan 0.000 0.434 305 Y N 4.841 125.165 120.300 0.040 0.000 2.365 305 Y HA 0.275 4.824 4.550 -0.001 0.000 0.293 305 Y C 0.416 176.474 175.900 0.263 0.000 1.119 305 Y CA 0.653 58.886 58.100 0.222 0.000 1.203 305 Y CB 0.336 38.977 38.460 0.302 0.000 1.026 305 Y HN 0.411 nan 8.280 nan 0.000 0.549 306 R N 0.408 120.921 120.500 0.022 0.000 2.533 306 R HA 0.338 4.677 4.340 -0.001 0.000 0.288 306 R C -3.026 173.248 176.300 -0.044 0.000 1.039 306 R CA -2.354 53.710 56.100 -0.059 0.000 0.909 306 R CB 1.500 31.764 30.300 -0.059 0.000 1.195 306 R HN -0.011 nan 8.270 nan 0.000 0.438 307 P HA 0.123 nan 4.420 nan 0.000 0.272 307 P C -0.644 176.695 177.300 0.065 0.000 1.223 307 P CA -0.201 62.928 63.100 0.049 0.000 0.784 307 P CB 0.405 32.167 31.700 0.103 0.000 0.923 308 F N 3.075 122.992 119.950 -0.054 0.000 2.390 308 F HA 0.269 4.796 4.527 -0.001 0.000 0.361 308 F C -0.464 175.394 175.800 0.097 0.000 1.124 308 F CA -0.327 57.685 58.000 0.020 0.000 1.149 308 F CB 0.398 39.345 39.000 -0.088 0.000 1.160 308 F HN -0.069 nan 8.300 nan 0.000 0.501 309 V N 6.851 126.729 119.914 -0.061 0.000 2.304 309 V HA 0.072 4.192 4.120 -0.001 0.000 0.269 309 V C 0.922 176.982 176.094 -0.058 0.000 1.036 309 V CA 0.224 62.545 62.300 0.036 0.000 0.840 309 V CB 0.536 32.416 31.823 0.096 0.000 1.036 309 V HN 0.935 nan 8.190 nan 0.000 0.466 310 S N 2.743 118.460 115.700 0.028 0.000 2.400 310 S HA -0.263 4.206 4.470 -0.001 0.000 0.232 310 S C 1.662 176.310 174.600 0.079 0.000 1.025 310 S CA 1.609 59.815 58.200 0.011 0.000 0.993 310 S CB -0.247 63.059 63.200 0.177 0.000 0.808 310 S HN 0.836 nan 8.310 nan 0.000 0.478 311 E N 1.942 122.220 120.200 0.130 0.000 2.085 311 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 311 E C 2.102 178.757 176.600 0.090 0.000 0.994 311 E CA 1.126 57.615 56.400 0.149 0.000 0.801 311 E CB -0.540 29.223 29.700 0.105 0.000 0.743 311 E HN 0.677 nan 8.360 nan 0.000 0.453 312 A N 0.343 123.205 122.820 0.070 0.000 1.968 312 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 312 A C 1.939 179.478 177.584 -0.074 0.000 1.169 312 A CA 0.978 53.088 52.037 0.121 0.000 0.638 312 A CB -0.752 18.444 19.000 0.326 0.000 0.812 312 A HN 0.518 nan 8.150 nan 0.000 0.446 313 F N -0.129 119.392 119.950 -0.714 0.000 2.075 313 F HA -0.128 4.398 4.527 -0.001 0.000 0.297 313 F C 1.853 177.282 175.800 -0.619 0.000 1.113 313 F CA 1.595 58.847 58.000 -1.246 0.000 1.218 313 F CB -0.528 37.578 39.000 -1.491 0.000 0.984 313 F HN 0.223 nan 8.300 nan 0.000 0.472 314 F N 0.307 120.025 119.950 -0.387 0.000 2.234 314 F HA -0.075 4.451 4.527 -0.001 0.000 0.299 314 F C 2.540 178.169 175.800 -0.284 0.000 1.087 314 F CA 0.744 58.516 58.000 -0.380 0.000 1.340 314 F CB -0.860 38.021 39.000 -0.198 0.000 1.031 314 F HN 0.090 nan 8.300 nan 0.000 0.500 315 A N -0.109 122.694 122.820 -0.028 0.000 2.019 315 A HA -0.037 4.283 4.320 -0.001 0.000 0.219 315 A C 2.161 179.704 177.584 -0.068 0.000 1.164 315 A CA 1.599 53.624 52.037 -0.019 0.000 0.644 315 A CB -0.853 18.162 19.000 0.025 0.000 0.805 315 A HN 0.295 nan 8.150 nan 0.000 0.449 316 A N -1.453 121.281 122.820 -0.142 0.000 2.308 316 A HA 0.472 4.792 4.320 -0.001 0.000 0.217 316 A C 0.733 178.155 177.584 -0.270 0.000 1.216 316 A CA -0.192 51.780 52.037 -0.108 0.000 0.864 316 A CB -0.053 18.970 19.000 0.038 0.000 0.902 316 A HN 0.413 nan 8.150 nan 0.000 0.499 317 L N 1.871 122.886 121.223 -0.347 0.000 2.260 317 L HA 0.358 4.697 4.340 -0.001 0.000 0.289 317 L C -2.684 174.039 176.870 -0.245 0.000 1.057 317 L CA -1.958 52.690 54.840 -0.320 0.000 0.811 317 L CB 1.518 43.393 42.059 -0.307 0.000 1.184 317 L HN 0.039 nan 8.230 nan 0.000 0.429 318 P HA 0.077 nan 4.420 nan 0.000 0.267 318 P C 0.177 177.435 177.300 -0.070 0.000 1.205 318 P CA -0.090 62.870 63.100 -0.233 0.000 0.765 318 P CB 1.118 32.664 31.700 -0.256 0.000 0.828 319 A N 2.792 125.584 122.820 -0.046 0.000 2.125 319 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 319 A C 1.866 179.463 177.584 0.021 0.000 1.156 319 A CA 1.766 53.803 52.037 0.001 0.000 0.671 319 A CB -1.076 17.917 19.000 -0.011 0.000 0.794 319 A HN 0.574 nan 8.150 nan 0.000 0.459 320 S N -0.451 115.256 115.700 0.010 0.000 2.527 320 S HA 0.447 4.917 4.470 -0.001 0.000 0.222 320 S C 0.979 175.609 174.600 0.050 0.000 0.985 320 S CA 0.267 58.483 58.200 0.027 0.000 0.921 320 S CB -0.539 62.673 63.200 0.021 0.000 0.772 320 S HN 0.855 nan 8.310 nan 0.000 0.529 321 A N 1.790 124.649 122.820 0.064 0.000 2.524 321 A HA 0.329 4.649 4.320 -0.001 0.000 0.250 321 A C 1.018 178.656 177.584 0.089 0.000 1.078 321 A CA -0.207 51.888 52.037 0.096 0.000 0.761 321 A CB 0.176 19.254 19.000 0.129 0.000 1.012 321 A HN 0.493 nan 8.150 nan 0.000 0.500 322 K N 1.379 121.826 120.400 0.078 0.000 2.365 322 K HA 0.251 4.570 4.320 -0.001 0.000 0.195 322 K C -0.552 176.076 176.600 0.046 0.000 1.079 322 K CA 0.502 56.823 56.287 0.056 0.000 0.979 322 K CB 0.710 33.239 32.500 0.048 0.000 0.929 322 K HN 0.509 nan 8.250 nan 0.000 0.523 323 V N 2.302 122.257 119.914 0.069 0.000 2.638 323 V HA 0.431 4.551 4.120 -0.001 0.000 0.306 323 V C -0.859 175.295 176.094 0.099 0.000 1.052 323 V CA -0.791 61.548 62.300 0.065 0.000 0.885 323 V CB 2.109 33.974 31.823 0.070 0.000 0.999 323 V HN 0.062 nan 8.190 nan 0.000 0.424 324 I N 3.648 124.269 120.570 0.085 0.000 2.499 324 I HA 0.576 4.745 4.170 -0.001 0.000 0.288 324 I C -0.201 175.995 176.117 0.133 0.000 1.048 324 I CA -0.405 60.978 61.300 0.138 0.000 1.062 324 I CB 2.562 40.665 38.000 0.172 0.000 1.238 324 I HN 0.732 nan 8.210 nan 0.000 0.426 325 T N 3.919 118.558 114.554 0.142 0.000 2.807 325 T HA 0.664 5.014 4.350 -0.001 0.000 0.279 325 T C -0.686 174.097 174.700 0.139 0.000 0.993 325 T CA -0.627 61.551 62.100 0.130 0.000 0.970 325 T CB 1.491 70.452 68.868 0.155 0.000 0.950 325 T HN 0.196 nan 8.240 nan 0.000 0.441 326 V N 5.034 125.033 119.914 0.141 0.000 2.383 326 V HA 0.430 4.549 4.120 -0.001 0.000 0.275 326 V C -0.373 175.765 176.094 0.073 0.000 1.036 326 V CA -0.907 61.495 62.300 0.171 0.000 0.889 326 V CB 0.898 32.878 31.823 0.262 0.000 0.985 326 V HN 0.764 nan 8.190 nan 0.000 0.459 327 L N 4.911 126.188 121.223 0.089 0.000 2.264 327 L HA 0.517 4.856 4.340 -0.001 0.000 0.289 327 L C 0.093 177.112 176.870 0.247 0.000 1.044 327 L CA 0.234 55.119 54.840 0.076 0.000 0.807 327 L CB 1.032 43.010 42.059 -0.134 0.000 1.192 327 L HN 0.604 nan 8.230 nan 0.000 0.425 328 D N 3.061 123.580 120.400 0.199 0.000 2.391 328 D HA 0.243 4.882 4.640 -0.001 0.000 0.245 328 D C 0.037 176.319 176.300 -0.030 0.000 1.069 328 D CA -0.441 53.662 54.000 0.172 0.000 0.831 328 D CB 1.961 42.790 40.800 0.048 0.000 1.204 328 D HN 0.331 nan 8.370 nan 0.000 0.503 329 R N 1.927 122.323 120.500 -0.173 0.000 4.394 329 R HA 0.191 4.530 4.340 -0.001 0.000 0.257 329 R C -0.338 175.804 176.300 -0.264 0.000 1.727 329 R CA 0.073 55.765 56.100 -0.679 0.000 1.497 329 R CB 0.069 29.677 30.300 -1.152 0.000 1.406 329 R HN 0.351 nan 8.270 nan 0.000 0.745 330 T N -0.828 113.666 114.554 -0.100 0.000 2.661 330 T HA 0.284 4.634 4.350 -0.001 0.000 0.305 330 T C -2.047 172.625 174.700 -0.046 0.000 1.441 330 T CA -0.769 61.329 62.100 -0.003 0.000 0.999 330 T CB 1.382 70.370 68.868 0.200 0.000 1.650 330 T HN 0.226 nan 8.240 nan 0.000 0.489 331 K N 1.781 122.165 120.400 -0.028 0.000 2.615 331 K HA 0.373 4.692 4.320 -0.001 0.000 0.249 331 K C -1.527 175.053 176.600 -0.034 0.000 0.977 331 K CA -0.387 55.874 56.287 -0.043 0.000 0.833 331 K CB 1.339 33.816 32.500 -0.038 0.000 1.208 331 K HN 0.645 nan 8.250 nan 0.000 0.443 332 E N 5.062 125.231 120.200 -0.051 0.000 2.256 332 E HA 0.240 4.589 4.350 -0.001 0.000 0.243 332 E C -2.493 174.081 176.600 -0.043 0.000 0.925 332 E CA -2.027 54.346 56.400 -0.044 0.000 0.748 332 E CB 1.368 31.031 29.700 -0.063 0.000 1.206 332 E HN 0.358 nan 8.360 nan 0.000 0.428 333 P HA -0.055 nan 4.420 nan 0.000 0.261 333 P C 0.912 178.191 177.300 -0.035 0.000 1.183 333 P CA 0.915 63.996 63.100 -0.032 0.000 0.761 333 P CB 0.581 32.270 31.700 -0.018 0.000 0.785 334 G N 1.980 110.753 108.800 -0.045 0.000 2.253 334 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.251 334 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.251 334 G C 0.511 175.380 174.900 -0.051 0.000 0.998 334 G CA 0.025 45.098 45.100 -0.045 0.000 0.621 334 G HN 0.871 nan 8.290 nan 0.000 0.524 335 A N 1.161 123.949 122.820 -0.052 0.000 2.425 335 A HA 0.637 4.957 4.320 -0.001 0.000 0.242 335 A C 0.168 177.717 177.584 -0.058 0.000 1.077 335 A CA 0.011 52.021 52.037 -0.046 0.000 0.781 335 A CB 0.383 19.358 19.000 -0.043 0.000 1.020 335 A HN 0.259 nan 8.150 nan 0.000 0.494 336 P HA 0.137 nan 4.420 nan 0.000 0.233 336 P C 0.511 177.836 177.300 0.041 0.000 1.167 336 P CA 1.359 64.446 63.100 -0.023 0.000 0.770 336 P CB 0.175 31.890 31.700 0.026 0.000 0.837 337 G N -0.767 108.082 108.800 0.080 0.000 2.387 337 G HA2 0.179 4.139 3.960 -0.001 0.000 0.294 337 G HA3 0.179 4.139 3.960 -0.001 0.000 0.294 337 G C -1.909 173.053 174.900 0.104 0.000 1.509 337 G CA -0.629 44.587 45.100 0.193 0.000 0.806 337 G HN -0.210 nan 8.290 nan 0.000 0.546 338 D N 0.665 121.100 120.400 0.058 0.000 2.358 338 D HA 0.305 4.944 4.640 -0.001 0.000 0.244 338 D C -1.194 175.054 176.300 -0.086 0.000 1.163 338 D CA -1.236 52.724 54.000 -0.067 0.000 0.945 338 D CB 1.575 42.308 40.800 -0.111 0.000 1.152 338 D HN -0.014 nan 8.370 nan 0.000 0.451 339 P HA -0.202 nan 4.420 nan 0.000 0.214 339 P C 1.568 178.814 177.300 -0.091 0.000 1.172 339 P CA 0.875 63.782 63.100 -0.321 0.000 0.925 339 P CB 0.140 31.309 31.700 -0.884 0.000 0.793 340 L N -2.005 119.206 121.223 -0.020 0.000 2.083 340 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 340 L C 2.414 179.335 176.870 0.085 0.000 1.083 340 L CA 1.702 56.649 54.840 0.178 0.000 0.752 340 L CB -1.647 40.587 42.059 0.292 0.000 0.899 340 L HN -0.042 nan 8.230 nan 0.000 0.433 341 Y N -0.436 119.844 120.300 -0.034 0.000 2.145 341 Y HA -0.231 4.319 4.550 -0.001 0.000 0.286 341 Y C 2.208 178.066 175.900 -0.070 0.000 1.145 341 Y CA 1.912 59.988 58.100 -0.040 0.000 1.148 341 Y CB -0.395 38.038 38.460 -0.046 0.000 0.981 341 Y HN 0.172 nan 8.280 nan 0.000 0.507 342 L N -0.077 121.027 121.223 -0.197 0.000 2.083 342 L HA -0.229 4.110 4.340 -0.001 0.000 0.209 342 L C 2.103 178.770 176.870 -0.340 0.000 1.083 342 L CA 1.553 56.214 54.840 -0.300 0.000 0.752 342 L CB -0.664 41.309 42.059 -0.143 0.000 0.899 342 L HN 0.219 nan 8.230 nan 0.000 0.433 343 D N -0.231 119.938 120.400 -0.384 0.000 2.117 343 D HA -0.141 4.498 4.640 -0.001 0.000 0.197 343 D C 2.343 178.246 176.300 -0.661 0.000 0.987 343 D CA 1.098 54.688 54.000 -0.684 0.000 0.829 343 D CB -0.217 39.869 40.800 -1.190 0.000 0.961 343 D HN 0.103 nan 8.370 nan 0.000 0.460 344 V N 0.684 120.306 119.914 -0.486 0.000 2.343 344 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 344 V C 2.730 178.763 176.094 -0.103 0.000 1.051 344 V CA 1.188 63.271 62.300 -0.362 0.000 1.036 344 V CB -0.538 31.187 31.823 -0.163 0.000 0.654 344 V HN 0.281 nan 8.190 nan 0.000 0.451 345 C N 0.731 119.905 119.300 -0.211 0.000 2.413 345 C HA -0.167 4.293 4.460 -0.001 0.000 0.276 345 C C 3.306 178.287 174.990 -0.016 0.000 1.248 345 C CA 1.622 60.563 59.018 -0.129 0.000 1.742 345 C CB -1.128 26.378 27.740 -0.389 0.000 2.017 345 C HN 0.791 nan 8.230 nan 0.000 0.481 346 S N 1.598 117.229 115.700 -0.114 0.000 2.382 346 S HA -0.103 4.366 4.470 -0.001 0.000 0.228 346 S C 1.977 176.585 174.600 0.013 0.000 1.027 346 S CA 1.484 59.647 58.200 -0.062 0.000 0.991 346 S CB -0.534 62.592 63.200 -0.123 0.000 0.823 346 S HN 0.621 nan 8.310 nan 0.000 0.469 347 A N 1.065 123.869 122.820 -0.027 0.000 1.902 347 A HA 0.094 4.413 4.320 -0.001 0.000 0.217 347 A C 1.932 179.646 177.584 0.217 0.000 1.181 347 A CA 1.467 53.519 52.037 0.025 0.000 0.623 347 A CB -1.107 17.696 19.000 -0.328 0.000 0.818 347 A HN 0.574 nan 8.150 nan 0.000 0.443 348 F N -0.006 120.111 119.950 0.280 0.000 2.206 348 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 348 F C 2.528 178.418 175.800 0.149 0.000 1.090 348 F CA 1.582 59.765 58.000 0.306 0.000 1.323 348 F CB -0.394 38.736 39.000 0.217 0.000 1.028 348 F HN 0.172 nan 8.300 nan 0.000 0.492 349 V N -1.842 118.224 119.914 0.253 0.000 2.427 349 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 349 V C 1.896 178.051 176.094 0.101 0.000 1.051 349 V CA 2.082 64.467 62.300 0.141 0.000 1.048 349 V CB -0.899 30.973 31.823 0.082 0.000 0.666 349 V HN 0.382 nan 8.190 nan 0.000 0.456 350 E N 0.335 120.596 120.200 0.101 0.000 2.152 350 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 350 E C 2.461 179.093 176.600 0.054 0.000 0.983 350 E CA 0.805 57.249 56.400 0.073 0.000 0.818 350 E CB -0.143 29.605 29.700 0.080 0.000 0.758 350 E HN 0.598 nan 8.360 nan 0.000 0.467 351 R N 0.117 120.650 120.500 0.054 0.000 2.075 351 R HA -0.098 4.242 4.340 -0.001 0.000 0.232 351 R C 1.077 177.353 176.300 -0.040 0.000 1.126 351 R CA 1.315 57.373 56.100 -0.071 0.000 0.963 351 R CB -0.376 29.758 30.300 -0.277 0.000 0.858 351 R HN 0.282 nan 8.270 nan 0.000 0.435 352 G N 1.044 109.859 108.800 0.026 0.000 2.273 352 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.280 352 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.280 352 G C -0.241 174.668 174.900 0.015 0.000 1.047 352 G CA 1.075 46.193 45.100 0.030 0.000 0.869 352 G HN 0.576 nan 8.290 nan 0.000 0.502 353 E N -0.462 119.750 120.200 0.020 0.000 4.403 353 E HA 0.691 5.040 4.350 -0.001 0.000 0.229 353 E C 1.131 177.765 176.600 0.058 0.000 1.038 353 E CA -0.491 55.915 56.400 0.010 0.000 1.122 353 E CB 0.010 29.682 29.700 -0.046 0.000 2.128 353 E HN 0.764 nan 8.360 nan 0.000 0.460 354 A N 1.505 124.365 122.820 0.066 0.000 2.511 354 A HA 0.203 4.522 4.320 -0.001 0.000 0.242 354 A C -0.193 177.493 177.584 0.170 0.000 1.069 354 A CA 0.518 52.615 52.037 0.100 0.000 0.763 354 A CB -0.031 19.029 19.000 0.100 0.000 1.001 354 A HN 0.287 nan 8.150 nan 0.000 0.498 355 M N 3.770 123.428 119.600 0.097 0.000 2.182 355 M HA 0.276 4.756 4.480 -0.001 0.000 0.285 355 M C -2.405 173.867 176.300 -0.047 0.000 0.956 355 M CA -2.138 53.188 55.300 0.044 0.000 0.878 355 M CB 0.016 32.639 32.600 0.037 0.000 1.373 355 M HN 0.391 nan 8.290 nan 0.000 0.393 356 P HA 0.152 nan 4.420 nan 0.000 0.271 356 P C -0.324 176.885 177.300 -0.151 0.000 1.233 356 P CA -0.393 62.639 63.100 -0.112 0.000 0.789 356 P CB 0.677 32.307 31.700 -0.115 0.000 0.951 357 K N 1.553 121.911 120.400 -0.070 0.000 2.349 357 K HA 0.265 4.585 4.320 -0.001 0.000 0.288 357 K C -0.829 175.739 176.600 -0.053 0.000 1.058 357 K CA 0.428 56.688 56.287 -0.045 0.000 0.953 357 K CB -0.656 31.842 32.500 -0.003 0.000 0.997 357 K HN 0.296 nan 8.250 nan 0.000 0.477 358 I N 6.495 127.037 120.570 -0.046 0.000 2.378 358 I HA 0.313 4.482 4.170 -0.001 0.000 0.291 358 I C -0.471 175.699 176.117 0.089 0.000 0.992 358 I CA -0.881 60.427 61.300 0.014 0.000 1.154 358 I CB 1.040 39.030 38.000 -0.017 0.000 1.315 358 I HN 0.389 nan 8.210 nan 0.000 0.448 359 L N 5.328 126.596 121.223 0.075 0.000 2.333 359 L HA 0.837 5.176 4.340 -0.001 0.000 0.269 359 L C -0.117 176.652 176.870 -0.168 0.000 1.010 359 L CA -0.797 54.020 54.840 -0.039 0.000 0.818 359 L CB 2.025 44.123 42.059 0.065 0.000 1.306 359 L HN 0.640 nan 8.230 nan 0.000 0.430 360 A N 0.887 123.363 122.820 -0.573 0.000 2.331 360 A HA 0.868 5.187 4.320 -0.001 0.000 0.320 360 A C -0.236 176.823 177.584 -0.875 0.000 1.138 360 A CA -0.353 51.231 52.037 -0.755 0.000 0.790 360 A CB 1.455 19.637 19.000 -1.363 0.000 1.206 360 A HN 0.770 nan 8.150 nan 0.000 0.470 361 G N 0.816 109.111 108.800 -0.842 0.000 2.620 361 G HA2 0.594 4.554 3.960 -0.001 0.000 0.301 361 G HA3 0.594 4.554 3.960 -0.001 0.000 0.301 361 G C -0.882 173.717 174.900 -0.502 0.000 1.347 361 G CA -0.689 43.588 45.100 -1.373 0.000 0.971 361 G HN 0.856 nan 8.290 nan 0.000 0.488 362 R N 0.539 120.834 120.500 -0.342 0.000 2.514 362 R HA 0.709 5.049 4.340 -0.001 0.000 0.301 362 R C -1.172 175.176 176.300 0.079 0.000 0.962 362 R CA -0.759 55.288 56.100 -0.088 0.000 0.882 362 R CB 1.328 31.563 30.300 -0.108 0.000 1.143 362 R HN 0.729 nan 8.270 nan 0.000 0.452 363 Y N 0.206 120.425 120.300 -0.136 0.000 2.689 363 Y HA 0.533 5.083 4.550 -0.001 0.000 0.333 363 Y C 0.537 176.356 175.900 -0.136 0.000 1.190 363 Y CA -1.033 56.997 58.100 -0.117 0.000 1.063 363 Y CB 0.475 38.754 38.460 -0.303 0.000 1.294 363 Y HN 0.717 nan 8.280 nan 0.000 0.466 364 G N 1.004 109.725 108.800 -0.132 0.000 2.380 364 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.298 364 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.298 364 G C -0.514 174.255 174.900 -0.217 0.000 0.989 364 G CA 0.468 45.463 45.100 -0.175 0.000 0.836 364 G HN 0.595 nan 8.290 nan 0.000 0.511 365 L N 0.188 121.308 121.223 -0.172 0.000 2.490 365 L HA 0.473 4.812 4.340 -0.001 0.000 0.274 365 L C 1.725 178.575 176.870 -0.033 0.000 1.201 365 L CA 1.394 56.169 54.840 -0.109 0.000 0.869 365 L CB 0.361 42.378 42.059 -0.070 0.000 1.123 365 L HN 1.163 nan 8.230 nan 0.000 0.484 366 G N 2.927 111.738 108.800 0.018 0.000 2.366 366 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.299 366 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.299 366 G C 0.792 175.744 174.900 0.087 0.000 1.020 366 G CA 0.514 45.677 45.100 0.106 0.000 1.026 366 G HN 0.851 nan 8.290 nan 0.000 0.512 367 S N -2.318 113.439 115.700 0.094 0.000 3.445 367 S HA -0.249 4.221 4.470 -0.001 0.000 0.319 367 S C 1.152 175.739 174.600 -0.021 0.000 1.209 367 S CA 1.919 60.160 58.200 0.069 0.000 0.934 367 S CB -0.616 62.659 63.200 0.125 0.000 0.999 367 S HN 1.523 nan 8.310 nan 0.000 0.582 368 K N 2.542 122.932 120.400 -0.017 0.000 2.485 368 K HA 0.082 4.401 4.320 -0.001 0.000 0.277 368 K C 0.244 176.881 176.600 0.061 0.000 0.990 368 K CA 0.358 56.643 56.287 -0.004 0.000 0.994 368 K CB 0.414 32.924 32.500 0.016 0.000 0.906 368 K HN 0.136 nan 8.250 nan 0.000 0.488 369 E N 2.763 122.991 120.200 0.047 0.000 2.442 369 E HA -0.060 4.289 4.350 -0.001 0.000 0.262 369 E C -0.795 175.930 176.600 0.209 0.000 1.004 369 E CA 0.549 57.000 56.400 0.085 0.000 0.928 369 E CB 0.210 29.925 29.700 0.025 0.000 0.937 369 E HN 0.539 nan 8.360 nan 0.000 0.446 370 F N 2.748 122.729 119.950 0.053 0.000 2.691 370 F HA 0.128 4.655 4.527 -0.001 0.000 0.371 370 F C 0.078 175.860 175.800 -0.030 0.000 1.159 370 F CA -0.442 57.589 58.000 0.052 0.000 1.174 370 F CB 0.422 39.508 39.000 0.143 0.000 1.419 370 F HN 0.293 nan 8.300 nan 0.000 0.514 371 S N 3.571 119.028 115.700 -0.404 0.000 2.707 371 S HA 0.526 4.996 4.470 -0.001 0.000 0.276 371 S C -2.117 172.071 174.600 -0.686 0.000 1.179 371 S CA -1.240 56.608 58.200 -0.587 0.000 0.992 371 S CB 1.525 64.479 63.200 -0.410 0.000 1.030 371 S HN 0.321 nan 8.310 nan 0.000 0.554 372 P HA -0.046 nan 4.420 nan 0.000 0.215 372 P C 1.582 178.728 177.300 -0.257 0.000 1.153 372 P CA 1.966 64.880 63.100 -0.309 0.000 0.853 372 P CB -0.284 31.334 31.700 -0.138 0.000 0.788 373 A N -1.025 121.681 122.820 -0.190 0.000 1.940 373 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 373 A C 2.158 179.508 177.584 -0.391 0.000 1.176 373 A CA 1.944 53.802 52.037 -0.299 0.000 0.631 373 A CB -1.425 17.510 19.000 -0.109 0.000 0.814 373 A HN 0.133 nan 8.150 nan 0.000 0.446 374 M N -0.931 118.437 119.600 -0.387 0.000 2.175 374 M HA -0.099 4.381 4.480 -0.001 0.000 0.264 374 M C 2.064 178.118 176.300 -0.410 0.000 1.063 374 M CA 1.142 56.226 55.300 -0.360 0.000 1.119 374 M CB -0.368 32.006 32.600 -0.378 0.000 1.377 374 M HN 0.242 nan 8.290 nan 0.000 0.415 375 V N 0.591 120.167 119.914 -0.564 0.000 2.343 375 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 375 V C 2.380 178.352 176.094 -0.203 0.000 1.051 375 V CA 1.808 63.895 62.300 -0.355 0.000 1.036 375 V CB -0.721 30.949 31.823 -0.255 0.000 0.654 375 V HN 0.381 nan 8.190 nan 0.000 0.451 376 K N 0.833 121.011 120.400 -0.369 0.000 2.063 376 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 376 K C 2.290 178.735 176.600 -0.258 0.000 1.048 376 K CA 2.030 58.067 56.287 -0.418 0.000 0.928 376 K CB -0.726 31.134 32.500 -1.066 0.000 0.713 376 K HN 0.408 nan 8.250 nan 0.000 0.442 377 S N -0.281 115.250 115.700 -0.282 0.000 2.370 377 S HA -0.115 4.355 4.470 -0.001 0.000 0.226 377 S C 1.910 176.365 174.600 -0.241 0.000 1.033 377 S CA 1.377 59.437 58.200 -0.234 0.000 1.011 377 S CB -0.344 62.724 63.200 -0.221 0.000 0.852 377 S HN 0.154 nan 8.310 nan 0.000 0.457 378 V N 0.323 120.096 119.914 -0.234 0.000 2.343 378 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 378 V C 1.857 177.813 176.094 -0.229 0.000 1.051 378 V CA 1.707 63.852 62.300 -0.259 0.000 1.036 378 V CB -0.843 30.879 31.823 -0.169 0.000 0.654 378 V HN 0.523 nan 8.190 nan 0.000 0.451 379 Y N 0.231 120.481 120.300 -0.083 0.000 2.200 379 Y HA -0.186 4.364 4.550 -0.001 0.000 0.290 379 Y C 2.575 178.434 175.900 -0.070 0.000 1.137 379 Y CA 1.444 59.514 58.100 -0.050 0.000 1.163 379 Y CB -0.200 38.233 38.460 -0.044 0.000 0.988 379 Y HN 0.272 nan 8.280 nan 0.000 0.518 380 D N -0.225 120.195 120.400 0.034 0.000 2.144 380 D HA -0.187 4.452 4.640 -0.001 0.000 0.199 380 D C 1.767 178.036 176.300 -0.051 0.000 0.984 380 D CA 1.175 55.162 54.000 -0.021 0.000 0.834 380 D CB -0.518 40.238 40.800 -0.073 0.000 0.955 380 D HN 0.281 nan 8.370 nan 0.000 0.465 381 N N 0.144 118.775 118.700 -0.116 0.000 2.149 381 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 381 N C 1.715 177.186 175.510 -0.065 0.000 1.019 381 N CA 0.964 53.926 53.050 -0.147 0.000 0.857 381 N CB -0.134 38.161 38.487 -0.319 0.000 0.997 381 N HN 0.115 nan 8.380 nan 0.000 0.426 382 M N -0.624 118.965 119.600 -0.019 0.000 2.374 382 M HA -0.056 4.424 4.480 -0.001 0.000 0.264 382 M C 1.454 177.777 176.300 0.038 0.000 1.067 382 M CA 1.185 56.504 55.300 0.032 0.000 1.103 382 M CB -0.068 32.581 32.600 0.082 0.000 1.402 382 M HN 0.308 nan 8.290 nan 0.000 0.444 383 S N -1.469 114.250 115.700 0.031 0.000 2.524 383 S HA 0.250 4.720 4.470 -0.001 0.000 0.215 383 S C 1.117 175.722 174.600 0.009 0.000 0.986 383 S CA -0.010 58.206 58.200 0.027 0.000 0.911 383 S CB 0.213 63.432 63.200 0.032 0.000 0.805 383 S HN 0.407 nan 8.310 nan 0.000 0.501 384 G N 1.307 110.103 108.800 -0.006 0.000 3.345 384 G HA2 0.578 4.537 3.960 -0.001 0.000 0.202 384 G HA3 0.578 4.537 3.960 -0.001 0.000 0.202 384 G C 1.288 176.178 174.900 -0.016 0.000 1.740 384 G CA 0.007 45.098 45.100 -0.015 0.000 0.806 384 G HN 0.432 nan 8.290 nan 0.000 0.718 385 A N -0.448 122.355 122.820 -0.029 0.000 2.019 385 A HA 0.115 4.434 4.320 -0.001 0.000 0.219 385 A C 1.356 178.932 177.584 -0.014 0.000 1.164 385 A CA 1.943 53.967 52.037 -0.022 0.000 0.644 385 A CB -0.632 18.349 19.000 -0.032 0.000 0.805 385 A HN 0.632 nan 8.150 nan 0.000 0.449 386 K N -1.084 119.303 120.400 -0.022 0.000 3.150 386 K HA -0.176 4.144 4.320 -0.001 0.000 0.267 386 K C -0.046 176.565 176.600 0.018 0.000 1.028 386 K CA 0.947 57.234 56.287 -0.001 0.000 0.753 386 K CB -1.409 31.099 32.500 0.013 0.000 1.288 386 K HN 0.704 nan 8.250 nan 0.000 0.473 387 K N 1.413 121.817 120.400 0.006 0.000 2.448 387 K HA 0.046 4.366 4.320 -0.001 0.000 0.278 387 K C 0.047 176.743 176.600 0.160 0.000 1.009 387 K CA -0.075 56.248 56.287 0.060 0.000 0.995 387 K CB 0.497 33.019 32.500 0.036 0.000 0.917 387 K HN 0.128 nan 8.250 nan 0.000 0.481 388 N N 1.591 120.350 118.700 0.099 0.000 2.443 388 N HA 0.163 4.903 4.740 -0.001 0.000 0.293 388 N C -1.257 174.223 175.510 -0.050 0.000 1.159 388 N CA -0.139 52.884 53.050 -0.046 0.000 0.904 388 N CB 0.488 38.873 38.487 -0.170 0.000 1.214 388 N HN 0.719 nan 8.380 nan 0.000 0.513 389 H N -0.550 118.416 119.070 -0.173 0.000 2.677 389 H HA -0.206 4.350 4.556 -0.001 0.000 0.321 389 H C -0.589 174.663 175.328 -0.126 0.000 1.171 389 H CA 1.083 56.985 56.048 -0.243 0.000 1.139 389 H CB -1.888 27.772 29.762 -0.170 0.000 1.515 389 H HN 0.382 nan 8.280 nan 0.000 0.423 390 F N -0.980 118.955 119.950 -0.025 0.000 2.410 390 F HA 0.744 5.270 4.527 -0.001 0.000 0.324 390 F C 0.534 176.338 175.800 0.007 0.000 1.093 390 F CA -0.510 57.487 58.000 -0.005 0.000 1.028 390 F CB 1.013 40.002 39.000 -0.019 0.000 1.309 390 F HN 0.054 nan 8.300 nan 0.000 0.499 391 T N -0.533 114.246 114.554 0.374 0.000 2.893 391 T HA 0.687 5.037 4.350 -0.001 0.000 0.291 391 T C -1.367 173.553 174.700 0.368 0.000 1.028 391 T CA -0.859 61.394 62.100 0.255 0.000 0.995 391 T CB 1.411 70.353 68.868 0.123 0.000 1.051 391 T HN 1.057 nan 8.240 nan 0.000 0.470 392 V N 1.298 121.408 119.914 0.327 0.000 2.686 392 V HA 0.716 4.835 4.120 -0.001 0.000 0.306 392 V C 0.626 176.858 176.094 0.231 0.000 1.065 392 V CA 0.814 63.278 62.300 0.274 0.000 0.894 392 V CB 1.052 33.087 31.823 0.353 0.000 1.004 392 V HN 1.763 nan 8.190 nan 0.000 0.424 393 G N 5.319 114.205 108.800 0.144 0.000 2.205 393 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.180 393 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.180 393 G C -0.144 174.802 174.900 0.077 0.000 1.004 393 G CA 0.132 45.303 45.100 0.118 0.000 0.670 393 G HN 1.705 nan 8.290 nan 0.000 0.496 394 I N -2.915 117.699 120.570 0.074 0.000 3.174 394 I HA 0.841 5.011 4.170 -0.001 0.000 0.313 394 I C -0.768 175.382 176.117 0.056 0.000 1.155 394 I CA -1.441 59.895 61.300 0.060 0.000 0.977 394 I CB 2.271 40.303 38.000 0.053 0.000 1.248 394 I HN -0.023 nan 8.210 nan 0.000 0.453 395 E N 2.403 122.636 120.200 0.055 0.000 2.063 395 E HA 0.145 4.495 4.350 -0.001 0.000 0.265 395 E C -1.348 175.282 176.600 0.051 0.000 0.919 395 E CA -0.473 55.954 56.400 0.045 0.000 0.756 395 E CB 0.872 30.594 29.700 0.036 0.000 1.120 395 E HN 0.623 nan 8.360 nan 0.000 0.414 396 D N 4.378 124.807 120.400 0.047 0.000 2.494 396 D HA -0.015 4.624 4.640 -0.001 0.000 0.217 396 D C 0.266 176.587 176.300 0.035 0.000 1.153 396 D CA -0.376 53.652 54.000 0.046 0.000 0.954 396 D CB 0.504 41.332 40.800 0.047 0.000 1.034 396 D HN 0.443 nan 8.370 nan 0.000 0.518 397 D N 1.792 122.212 120.400 0.033 0.000 2.340 397 D HA -0.105 4.535 4.640 -0.001 0.000 0.220 397 D C 1.586 177.898 176.300 0.019 0.000 1.039 397 D CA 0.183 54.196 54.000 0.021 0.000 0.866 397 D CB -0.076 40.733 40.800 0.015 0.000 0.913 397 D HN 0.314 nan 8.370 nan 0.000 0.523 398 V N -1.084 118.844 119.914 0.025 0.000 2.436 398 V HA 0.063 4.183 4.120 -0.001 0.000 0.240 398 V C 2.043 178.147 176.094 0.017 0.000 1.040 398 V CA 1.502 63.814 62.300 0.020 0.000 1.052 398 V CB -0.831 31.008 31.823 0.025 0.000 0.707 398 V HN 0.259 nan 8.190 nan 0.000 0.469 399 T N -2.740 111.825 114.554 0.020 0.000 3.054 399 T HA 0.433 4.782 4.350 -0.001 0.000 0.255 399 T C 1.544 176.258 174.700 0.024 0.000 1.035 399 T CA 0.576 62.686 62.100 0.018 0.000 0.941 399 T CB 0.246 69.122 68.868 0.013 0.000 1.026 399 T HN 1.609 nan 8.240 nan 0.000 0.533 400 G N 2.345 111.161 108.800 0.027 0.000 2.305 400 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.287 400 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.287 400 G C 0.766 175.693 174.900 0.045 0.000 1.036 400 G CA 0.820 45.938 45.100 0.030 0.000 0.887 400 G HN 0.926 nan 8.290 nan 0.000 0.505 401 T N -2.354 112.234 114.554 0.057 0.000 3.081 401 T HA 0.449 4.799 4.350 -0.001 0.000 0.250 401 T C 1.427 176.204 174.700 0.128 0.000 1.100 401 T CA 0.925 63.079 62.100 0.091 0.000 1.038 401 T CB 0.182 69.099 68.868 0.081 0.000 0.962 401 T HN 1.425 nan 8.240 nan 0.000 0.516 402 S N 1.434 117.188 115.700 0.090 0.000 2.610 402 S HA 0.622 5.091 4.470 -0.001 0.000 0.273 402 S C -0.147 174.472 174.600 0.033 0.000 1.274 402 S CA -1.015 57.240 58.200 0.091 0.000 1.023 402 S CB 0.640 63.880 63.200 0.066 0.000 0.962 402 S HN 0.392 nan 8.310 nan 0.000 0.523 403 L N 2.821 124.040 121.223 -0.008 0.000 2.312 403 L HA 0.474 4.814 4.340 -0.001 0.000 0.281 403 L C -1.919 174.904 176.870 -0.078 0.000 1.070 403 L CA -2.218 52.551 54.840 -0.119 0.000 0.805 403 L CB 0.903 42.785 42.059 -0.295 0.000 1.174 403 L HN 0.552 nan 8.230 nan 0.000 0.434 404 P HA 0.131 nan 4.420 nan 0.000 0.271 404 P C -0.926 176.326 177.300 -0.080 0.000 1.216 404 P CA -0.210 62.853 63.100 -0.061 0.000 0.776 404 P CB 1.513 33.180 31.700 -0.054 0.000 0.881 405 V N 3.067 122.943 119.914 -0.064 0.000 2.409 405 V HA 0.180 4.300 4.120 -0.001 0.000 0.291 405 V C 0.062 176.118 176.094 -0.063 0.000 1.020 405 V CA -0.358 61.893 62.300 -0.082 0.000 0.848 405 V CB 1.560 33.340 31.823 -0.071 0.000 0.990 405 V HN 0.521 nan 8.190 nan 0.000 0.430 406 D N 3.819 124.174 120.400 -0.074 0.000 2.456 406 D HA 0.177 4.817 4.640 -0.001 0.000 0.219 406 D C 0.858 177.156 176.300 -0.004 0.000 1.126 406 D CA -0.186 53.793 54.000 -0.034 0.000 0.890 406 D CB 0.594 41.378 40.800 -0.027 0.000 1.025 406 D HN 0.422 nan 8.370 nan 0.000 0.511 407 N N 2.449 121.151 118.700 0.004 0.000 2.575 407 N HA -0.062 4.678 4.740 -0.001 0.000 0.192 407 N C 0.962 176.501 175.510 0.049 0.000 1.200 407 N CA 0.147 53.210 53.050 0.022 0.000 0.897 407 N CB 0.424 38.915 38.487 0.008 0.000 0.990 407 N HN 0.444 nan 8.380 nan 0.000 0.449 408 A N 0.083 122.940 122.820 0.062 0.000 2.251 408 A HA 0.079 4.398 4.320 -0.001 0.000 0.209 408 A C 0.648 178.296 177.584 0.106 0.000 1.187 408 A CA -0.542 51.532 52.037 0.062 0.000 0.823 408 A CB -0.425 18.604 19.000 0.048 0.000 0.846 408 A HN 0.297 nan 8.150 nan 0.000 0.486 409 F N 1.106 121.023 119.950 -0.056 0.000 2.629 409 F HA 0.242 4.768 4.527 -0.001 0.000 0.369 409 F C 0.993 176.745 175.800 -0.079 0.000 1.125 409 F CA -0.259 57.697 58.000 -0.073 0.000 1.330 409 F CB 0.514 39.445 39.000 -0.114 0.000 1.071 409 F HN 0.305 nan 8.300 nan 0.000 0.595 410 A N 5.409 127.869 122.820 -0.600 0.000 2.386 410 A HA 0.053 4.373 4.320 -0.001 0.000 0.248 410 A C -0.110 177.088 177.584 -0.643 0.000 1.082 410 A CA -0.531 51.206 52.037 -0.500 0.000 0.789 410 A CB 0.143 18.931 19.000 -0.354 0.000 1.025 410 A HN 0.824 nan 8.150 nan 0.000 0.490 411 D N 0.601 120.807 120.400 -0.323 0.000 2.458 411 D HA 0.060 4.699 4.640 -0.001 0.000 0.243 411 D C 0.987 177.100 176.300 -0.312 0.000 1.146 411 D CA 1.074 54.938 54.000 -0.228 0.000 0.877 411 D CB 0.742 41.497 40.800 -0.075 0.000 1.176 411 D HN 0.549 nan 8.370 nan 0.000 0.461 412 T N -0.779 113.615 114.554 -0.266 0.000 3.092 412 T HA 0.070 4.419 4.350 -0.001 0.000 0.258 412 T C 0.944 175.636 174.700 -0.014 0.000 1.031 412 T CA -0.397 61.559 62.100 -0.241 0.000 0.925 412 T CB -0.136 68.564 68.868 -0.280 0.000 1.036 412 T HN 0.430 nan 8.240 nan 0.000 0.544 413 T N 1.508 116.079 114.554 0.029 0.000 2.926 413 T HA 0.388 4.737 4.350 -0.001 0.000 0.307 413 T C -2.547 172.177 174.700 0.040 0.000 1.059 413 T CA -1.239 60.889 62.100 0.048 0.000 1.122 413 T CB 0.066 68.960 68.868 0.044 0.000 0.972 413 T HN 0.002 nan 8.240 nan 0.000 0.545 414 P HA 0.141 nan 4.420 nan 0.000 0.269 414 P C -0.063 177.262 177.300 0.041 0.000 1.217 414 P CA -0.386 62.733 63.100 0.033 0.000 0.783 414 P CB 0.372 32.078 31.700 0.011 0.000 0.898 415 K N 1.091 121.516 120.400 0.042 0.000 2.448 415 K HA 0.258 4.578 4.320 -0.001 0.000 0.278 415 K C 1.238 177.871 176.600 0.055 0.000 1.009 415 K CA 1.102 57.417 56.287 0.046 0.000 0.995 415 K CB -0.300 32.224 32.500 0.040 0.000 0.917 415 K HN 0.829 nan 8.250 nan 0.000 0.481 416 G N 2.083 110.920 108.800 0.061 0.000 2.213 416 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.236 416 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.236 416 G C 0.183 175.138 174.900 0.092 0.000 0.991 416 G CA -0.047 45.097 45.100 0.073 0.000 0.629 416 G HN 0.581 nan 8.290 nan 0.000 0.517 417 T N 1.870 116.476 114.554 0.086 0.000 2.853 417 T HA 0.511 4.861 4.350 -0.001 0.000 0.298 417 T C 0.625 175.394 174.700 0.115 0.000 0.978 417 T CA 0.402 62.562 62.100 0.100 0.000 1.152 417 T CB 1.164 70.072 68.868 0.066 0.000 0.914 417 T HN 0.334 nan 8.240 nan 0.000 0.539 418 I N 3.554 124.223 120.570 0.164 0.000 2.377 418 I HA 0.286 4.455 4.170 -0.001 0.000 0.293 418 I C 0.302 176.544 176.117 0.209 0.000 0.987 418 I CA -0.687 60.724 61.300 0.185 0.000 1.185 418 I CB 1.380 39.506 38.000 0.211 0.000 1.341 418 I HN 0.468 nan 8.210 nan 0.000 0.455 419 Q N 5.581 125.486 119.800 0.174 0.000 2.331 419 Q HA 0.553 4.892 4.340 -0.001 0.000 0.267 419 Q C -1.449 174.660 176.000 0.182 0.000 1.006 419 Q CA -0.696 55.197 55.803 0.149 0.000 0.818 419 Q CB 2.635 31.431 28.738 0.097 0.000 1.276 419 Q HN 0.630 nan 8.270 nan 0.000 0.450 420 C N 1.707 121.118 119.300 0.186 0.000 2.634 420 C HA 0.568 5.027 4.460 -0.001 0.000 0.313 420 C C -0.406 174.563 174.990 -0.035 0.000 1.198 420 C CA -0.799 58.304 59.018 0.142 0.000 1.605 420 C CB 1.614 29.522 27.740 0.280 0.000 2.196 420 C HN 0.788 nan 8.230 nan 0.000 0.486 421 Q N 0.642 120.302 119.800 -0.233 0.000 2.323 421 Q HA 0.656 4.995 4.340 -0.001 0.000 0.271 421 Q C -1.784 173.982 176.000 -0.390 0.000 1.048 421 Q CA -0.234 55.404 55.803 -0.275 0.000 0.792 421 Q CB 2.216 30.860 28.738 -0.156 0.000 1.280 421 Q HN 0.653 nan 8.270 nan 0.000 0.441 422 F N 0.884 120.765 119.950 -0.116 0.000 2.507 422 F HA 0.425 4.951 4.527 -0.001 0.000 0.328 422 F C -1.016 174.683 175.800 -0.167 0.000 1.136 422 F CA -0.717 57.227 58.000 -0.094 0.000 0.930 422 F CB 1.063 39.981 39.000 -0.137 0.000 1.166 422 F HN 0.431 nan 8.300 nan 0.000 0.436 423 W N 2.654 123.937 121.300 -0.028 0.000 2.291 423 W HA 0.655 5.315 4.660 -0.001 0.000 0.312 423 W C 0.335 176.941 176.519 0.144 0.000 1.061 423 W CA -0.881 56.508 57.345 0.072 0.000 1.296 423 W CB 1.519 31.088 29.460 0.181 0.000 1.223 423 W HN 0.638 nan 8.180 nan 0.000 0.421 424 G N 2.307 111.294 108.800 0.311 0.000 2.600 424 G HA2 0.669 4.628 3.960 -0.001 0.000 0.303 424 G HA3 0.669 4.628 3.960 -0.001 0.000 0.303 424 G C -2.052 173.082 174.900 0.390 0.000 1.253 424 G CA -1.037 44.252 45.100 0.315 0.000 0.974 424 G HN 0.328 nan 8.290 nan 0.000 0.483 425 L N 0.990 122.382 121.223 0.281 0.000 2.309 425 L HA 0.730 5.069 4.340 -0.001 0.000 0.282 425 L C 0.909 177.885 176.870 0.177 0.000 1.036 425 L CA -0.370 54.621 54.840 0.253 0.000 0.806 425 L CB 1.184 43.323 42.059 0.132 0.000 1.220 425 L HN 0.733 nan 8.230 nan 0.000 0.429 426 G N 3.907 112.810 108.800 0.172 0.000 2.287 426 G HA2 0.379 4.338 3.960 -0.001 0.000 0.235 426 G HA3 0.379 4.338 3.960 -0.001 0.000 0.235 426 G C 0.775 175.736 174.900 0.102 0.000 1.258 426 G CA 0.329 45.510 45.100 0.135 0.000 0.884 426 G HN 1.977 nan 8.290 nan 0.000 0.518 427 A N 1.659 124.529 122.820 0.084 0.000 3.080 427 A HA -0.191 4.128 4.320 -0.001 0.000 0.254 427 A C 1.456 179.074 177.584 0.057 0.000 1.277 427 A CA 1.729 53.802 52.037 0.060 0.000 1.065 427 A CB -1.855 17.177 19.000 0.052 0.000 1.160 427 A HN 1.261 nan 8.150 nan 0.000 0.886 428 D N -1.298 119.146 120.400 0.074 0.000 2.339 428 D HA 0.388 5.028 4.640 -0.001 0.000 0.217 428 D C 1.488 177.829 176.300 0.069 0.000 1.050 428 D CA 1.034 55.077 54.000 0.072 0.000 0.856 428 D CB -0.554 40.303 40.800 0.095 0.000 0.922 428 D HN 1.837 nan 8.370 nan 0.000 0.518 429 G N -0.362 108.473 108.800 0.058 0.000 2.179 429 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.260 429 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.260 429 G C 1.219 176.143 174.900 0.039 0.000 0.977 429 G CA 0.776 45.899 45.100 0.040 0.000 0.641 429 G HN 0.362 nan 8.290 nan 0.000 0.533 430 T N 0.558 115.164 114.554 0.087 0.000 2.635 430 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 430 T C 2.543 177.211 174.700 -0.054 0.000 1.040 430 T CA 2.034 64.196 62.100 0.103 0.000 1.156 430 T CB -0.332 68.657 68.868 0.201 0.000 0.863 430 T HN 0.358 nan 8.240 nan 0.000 0.430 431 V N 1.422 121.272 119.914 -0.106 0.000 2.287 431 V HA -0.150 3.969 4.120 -0.001 0.000 0.248 431 V C 2.890 178.814 176.094 -0.282 0.000 1.053 431 V CA 2.064 64.182 62.300 -0.302 0.000 1.027 431 V CB -1.448 30.144 31.823 -0.386 0.000 0.646 431 V HN 0.631 nan 8.190 nan 0.000 0.447 432 G N -0.551 108.154 108.800 -0.159 0.000 2.440 432 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 432 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 432 G C 1.754 176.610 174.900 -0.072 0.000 1.154 432 G CA 1.120 46.153 45.100 -0.113 0.000 0.767 432 G HN 0.628 nan 8.290 nan 0.000 0.552 433 A N 1.256 124.046 122.820 -0.051 0.000 1.898 433 A HA -0.071 4.249 4.320 -0.001 0.000 0.216 433 A C 2.294 179.841 177.584 -0.062 0.000 1.181 433 A CA 1.807 53.837 52.037 -0.012 0.000 0.620 433 A CB -0.422 18.588 19.000 0.018 0.000 0.819 433 A HN 0.344 nan 8.150 nan 0.000 0.442 434 N N 0.258 118.854 118.700 -0.173 0.000 2.120 434 N HA -0.142 4.597 4.740 -0.001 0.000 0.188 434 N C 1.589 177.103 175.510 0.007 0.000 1.024 434 N CA 1.584 54.499 53.050 -0.225 0.000 0.852 434 N CB -0.348 38.036 38.487 -0.171 0.000 1.003 434 N HN 0.574 nan 8.380 nan 0.000 0.424 435 K N 0.567 120.987 120.400 0.034 0.000 2.097 435 K HA -0.036 4.283 4.320 -0.001 0.000 0.205 435 K C 1.983 178.631 176.600 0.080 0.000 1.050 435 K CA 0.772 57.109 56.287 0.083 0.000 0.938 435 K CB 0.037 32.530 32.500 -0.011 0.000 0.718 435 K HN 0.120 nan 8.250 nan 0.000 0.442 436 Q N 0.217 120.052 119.800 0.058 0.000 2.119 436 Q HA -0.063 4.276 4.340 -0.001 0.000 0.201 436 Q C 2.170 178.279 176.000 0.182 0.000 0.972 436 Q CA 1.457 57.315 55.803 0.091 0.000 0.847 436 Q CB -0.206 28.574 28.738 0.070 0.000 0.903 436 Q HN 0.320 nan 8.270 nan 0.000 0.433 437 A N 0.864 123.810 122.820 0.210 0.000 1.902 437 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 437 A C 2.168 179.928 177.584 0.292 0.000 1.181 437 A CA 1.180 53.401 52.037 0.306 0.000 0.623 437 A CB -0.696 18.337 19.000 0.056 0.000 0.818 437 A HN 0.330 nan 8.150 nan 0.000 0.443 438 I N -0.884 119.847 120.570 0.268 0.000 2.163 438 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 438 I C 2.512 178.770 176.117 0.236 0.000 1.085 438 I CA 1.709 63.199 61.300 0.317 0.000 1.347 438 I CB -0.269 37.850 38.000 0.199 0.000 1.044 438 I HN 0.166 nan 8.210 nan 0.000 0.408 439 K N 1.066 121.566 120.400 0.168 0.000 2.002 439 K HA -0.095 4.225 4.320 -0.001 0.000 0.209 439 K C 1.894 178.569 176.600 0.125 0.000 1.048 439 K CA 1.520 57.878 56.287 0.118 0.000 0.930 439 K CB -0.544 32.005 32.500 0.080 0.000 0.714 439 K HN 0.229 nan 8.250 nan 0.000 0.438 440 I N 0.434 121.100 120.570 0.160 0.000 2.091 440 I HA -0.334 3.836 4.170 -0.001 0.000 0.239 440 I C 2.116 178.325 176.117 0.155 0.000 1.061 440 I CA 1.529 62.925 61.300 0.160 0.000 1.317 440 I CB -0.362 37.786 38.000 0.247 0.000 1.031 440 I HN 0.102 nan 8.210 nan 0.000 0.401 441 I N 0.606 121.292 120.570 0.194 0.000 2.226 441 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 441 I C 2.675 178.862 176.117 0.116 0.000 1.100 441 I CA 1.666 63.039 61.300 0.121 0.000 1.374 441 I CB -0.973 37.043 38.000 0.028 0.000 1.057 441 I HN 0.295 nan 8.210 nan 0.000 0.413 442 G N 0.366 109.259 108.800 0.154 0.000 2.422 442 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.218 442 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.218 442 G C 1.152 176.074 174.900 0.036 0.000 1.146 442 G CA 0.849 46.008 45.100 0.099 0.000 0.769 442 G HN 0.301 nan 8.290 nan 0.000 0.547 443 D N 0.139 120.563 120.400 0.041 0.000 2.323 443 D HA 0.014 4.654 4.640 -0.001 0.000 0.209 443 D C 1.528 177.830 176.300 0.003 0.000 0.973 443 D CA 0.396 54.404 54.000 0.012 0.000 0.874 443 D CB 0.057 40.867 40.800 0.015 0.000 0.930 443 D HN 0.246 nan 8.370 nan 0.000 0.521 444 N N -0.031 118.678 118.700 0.015 0.000 2.200 444 N HA 0.041 4.780 4.740 -0.001 0.000 0.224 444 N C 0.108 175.615 175.510 -0.005 0.000 1.179 444 N CA 0.207 53.259 53.050 0.003 0.000 0.877 444 N CB 1.594 40.088 38.487 0.010 0.000 1.072 444 N HN 0.213 nan 8.380 nan 0.000 0.519 445 T N -3.382 111.166 114.554 -0.009 0.000 2.754 445 T HA 0.315 4.664 4.350 -0.001 0.000 0.296 445 T C -0.460 174.210 174.700 -0.050 0.000 1.205 445 T CA -0.559 61.529 62.100 -0.020 0.000 1.009 445 T CB 1.896 70.760 68.868 -0.007 0.000 1.368 445 T HN -0.324 nan 8.240 nan 0.000 0.509 446 D N 0.266 120.629 120.400 -0.060 0.000 2.349 446 D HA 0.288 4.927 4.640 -0.001 0.000 0.214 446 D C 0.414 176.607 176.300 -0.178 0.000 1.063 446 D CA 0.038 53.965 54.000 -0.121 0.000 0.847 446 D CB -0.005 40.749 40.800 -0.077 0.000 0.933 446 D HN 0.427 nan 8.370 nan 0.000 0.513 447 L N 0.625 121.805 121.223 -0.072 0.000 2.397 447 L HA 0.213 4.552 4.340 -0.001 0.000 0.271 447 L C 0.338 177.195 176.870 -0.023 0.000 1.148 447 L CA -0.453 54.401 54.840 0.024 0.000 0.825 447 L CB 0.379 42.526 42.059 0.147 0.000 1.117 447 L HN -0.215 nan 8.230 nan 0.000 0.456 448 F N 1.296 121.308 119.950 0.102 0.000 2.382 448 F HA 0.543 5.069 4.527 -0.001 0.000 0.331 448 F C 0.614 176.464 175.800 0.083 0.000 1.121 448 F CA -0.212 57.830 58.000 0.070 0.000 1.183 448 F CB 1.103 40.124 39.000 0.035 0.000 1.207 448 F HN 0.451 nan 8.300 nan 0.000 0.555 449 A N 2.442 125.377 122.820 0.193 0.000 2.414 449 A HA 0.655 4.974 4.320 -0.001 0.000 0.306 449 A C -1.283 176.231 177.584 -0.117 0.000 1.054 449 A CA -0.631 51.384 52.037 -0.038 0.000 0.724 449 A CB 1.843 20.903 19.000 0.100 0.000 1.267 449 A HN 0.712 nan 8.150 nan 0.000 0.418 450 Q N 1.171 120.785 119.800 -0.310 0.000 2.347 450 Q HA 0.617 4.956 4.340 -0.001 0.000 0.271 450 Q C -0.773 175.078 176.000 -0.249 0.000 1.064 450 Q CA -0.622 55.065 55.803 -0.194 0.000 0.800 450 Q CB 2.282 30.925 28.738 -0.158 0.000 1.304 450 Q HN 1.137 nan 8.270 nan 0.000 0.438 451 G N 2.163 110.874 108.800 -0.149 0.000 2.662 451 G HA2 0.555 4.514 3.960 -0.001 0.000 0.302 451 G HA3 0.555 4.514 3.960 -0.001 0.000 0.302 451 G C -2.403 172.340 174.900 -0.261 0.000 1.389 451 G CA -0.265 44.675 45.100 -0.266 0.000 0.998 451 G HN 0.503 nan 8.290 nan 0.000 0.502 452 Y N 1.513 121.403 120.300 -0.684 0.000 2.441 452 Y HA 0.697 5.246 4.550 -0.001 0.000 0.334 452 Y C -1.806 173.677 175.900 -0.696 0.000 1.061 452 Y CA -1.560 56.269 58.100 -0.451 0.000 1.032 452 Y CB 1.748 40.085 38.460 -0.204 0.000 1.266 452 Y HN 0.481 nan 8.280 nan 0.000 0.441 453 F N 2.921 122.565 119.950 -0.510 0.000 2.507 453 F HA 0.611 5.137 4.527 -0.001 0.000 0.325 453 F C 0.028 175.489 175.800 -0.565 0.000 1.116 453 F CA -0.835 56.909 58.000 -0.428 0.000 0.930 453 F CB 2.277 41.020 39.000 -0.429 0.000 1.146 453 F HN 0.294 nan 8.300 nan 0.000 0.447 454 S N 2.225 117.771 115.700 -0.256 0.000 2.442 454 S HA 0.586 5.056 4.470 -0.001 0.000 0.297 454 S C -0.937 173.459 174.600 -0.340 0.000 1.131 454 S CA -0.515 57.570 58.200 -0.191 0.000 1.092 454 S CB 0.528 63.674 63.200 -0.090 0.000 0.998 454 S HN 0.426 nan 8.310 nan 0.000 0.478 455 Y N 0.908 121.196 120.300 -0.020 0.000 2.719 455 Y HA 0.552 5.102 4.550 -0.001 0.000 0.335 455 Y C 0.586 176.477 175.900 -0.016 0.000 1.198 455 Y CA -0.905 57.193 58.100 -0.003 0.000 1.274 455 Y CB 0.651 39.126 38.460 0.025 0.000 1.500 455 Y HN 0.431 nan 8.280 nan 0.000 0.616 456 D N -1.535 118.990 120.400 0.210 0.000 2.340 456 D HA 0.289 4.929 4.640 -0.001 0.000 0.240 456 D C 0.071 176.453 176.300 0.135 0.000 1.001 456 D CA -0.292 53.782 54.000 0.123 0.000 0.888 456 D CB 2.237 43.103 40.800 0.110 0.000 1.310 456 D HN 0.423 nan 8.370 nan 0.000 0.474 457 S N 0.513 116.279 115.700 0.111 0.000 2.461 457 S HA 0.004 4.473 4.470 -0.001 0.000 0.228 457 S C 0.570 175.242 174.600 0.121 0.000 1.005 457 S CA 0.316 58.581 58.200 0.109 0.000 0.942 457 S CB 0.095 63.350 63.200 0.093 0.000 0.776 457 S HN 0.274 nan 8.310 nan 0.000 0.514 458 K N 2.214 122.692 120.400 0.130 0.000 2.368 458 K HA 0.160 4.480 4.320 -0.001 0.000 0.282 458 K C 0.607 177.289 176.600 0.137 0.000 1.035 458 K CA 0.171 56.544 56.287 0.142 0.000 0.973 458 K CB 0.582 33.169 32.500 0.146 0.000 0.957 458 K HN 0.184 nan 8.250 nan 0.000 0.474 459 K N 0.345 120.830 120.400 0.141 0.000 2.243 459 K HA -0.006 4.314 4.320 -0.001 0.000 0.201 459 K C 0.780 177.445 176.600 0.110 0.000 1.051 459 K CA 0.423 56.785 56.287 0.124 0.000 0.970 459 K CB 0.385 32.968 32.500 0.138 0.000 0.755 459 K HN 0.396 nan 8.250 nan 0.000 0.465 460 S N -1.015 114.751 115.700 0.109 0.000 2.521 460 S HA 0.469 4.938 4.470 -0.001 0.000 0.295 460 S C 0.155 174.811 174.600 0.094 0.000 1.098 460 S CA -0.079 58.173 58.200 0.087 0.000 0.999 460 S CB 1.569 64.804 63.200 0.058 0.000 1.034 460 S HN 0.464 nan 8.310 nan 0.000 0.483 461 G N 2.864 111.722 108.800 0.098 0.000 2.225 461 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.267 461 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.267 461 G C 0.562 175.565 174.900 0.171 0.000 1.024 461 G CA 0.201 45.374 45.100 0.122 0.000 0.784 461 G HN 1.188 nan 8.290 nan 0.000 0.507 462 G N -0.618 108.280 108.800 0.164 0.000 2.572 462 G HA2 0.667 4.626 3.960 -0.001 0.000 0.261 462 G HA3 0.667 4.626 3.960 -0.001 0.000 0.261 462 G C 0.228 175.250 174.900 0.203 0.000 1.197 462 G CA -0.151 45.054 45.100 0.175 0.000 0.870 462 G HN 1.450 nan 8.290 nan 0.000 0.548 463 I N -1.635 119.026 120.570 0.152 0.000 2.437 463 I HA 0.723 4.892 4.170 -0.001 0.000 0.298 463 I C -0.136 175.975 176.117 -0.009 0.000 0.984 463 I CA -0.406 60.959 61.300 0.109 0.000 1.214 463 I CB 2.264 40.171 38.000 -0.154 0.000 1.365 463 I HN 0.259 nan 8.210 nan 0.000 0.469 464 T N 7.128 121.672 114.554 -0.017 0.000 2.876 464 T HA 0.657 5.007 4.350 -0.001 0.000 0.289 464 T C -0.393 174.162 174.700 -0.242 0.000 1.014 464 T CA -0.291 61.719 62.100 -0.149 0.000 0.986 464 T CB 1.164 69.962 68.868 -0.116 0.000 1.021 464 T HN 0.496 nan 8.240 nan 0.000 0.458 465 I N 2.428 122.790 120.570 -0.346 0.000 2.439 465 I HA 0.342 4.511 4.170 -0.001 0.000 0.285 465 I C -0.037 175.947 176.117 -0.222 0.000 1.021 465 I CA -0.642 60.374 61.300 -0.474 0.000 1.091 465 I CB 1.835 39.396 38.000 -0.733 0.000 1.242 465 I HN 0.494 nan 8.210 nan 0.000 0.439 466 S N 4.272 119.894 115.700 -0.132 0.000 2.508 466 S HA 0.496 4.965 4.470 -0.001 0.000 0.284 466 S C -0.745 173.762 174.600 -0.155 0.000 1.192 466 S CA -0.548 57.657 58.200 0.009 0.000 1.070 466 S CB 0.723 64.049 63.200 0.210 0.000 1.004 466 S HN 0.439 nan 8.310 nan 0.000 0.493 467 H N 1.518 120.491 119.070 -0.161 0.000 2.708 467 H HA 0.522 5.078 4.556 -0.001 0.000 0.320 467 H C -0.708 174.532 175.328 -0.146 0.000 0.991 467 H CA -0.355 55.643 56.048 -0.084 0.000 1.243 467 H CB 0.493 30.214 29.762 -0.068 0.000 1.446 467 H HN 0.330 nan 8.280 nan 0.000 0.502 468 L N 3.191 124.440 121.223 0.042 0.000 2.342 468 L HA 0.668 5.008 4.340 -0.001 0.000 0.271 468 L C -0.069 176.734 176.870 -0.111 0.000 1.008 468 L CA -0.855 53.937 54.840 -0.079 0.000 0.818 468 L CB 2.152 44.246 42.059 0.059 0.000 1.296 468 L HN 0.475 nan 8.230 nan 0.000 0.427 469 R N 2.086 122.362 120.500 -0.373 0.000 2.673 469 R HA 0.683 5.023 4.340 -0.001 0.000 0.281 469 R C -1.796 174.172 176.300 -0.553 0.000 0.991 469 R CA -0.674 55.269 56.100 -0.263 0.000 0.896 469 R CB 2.606 32.811 30.300 -0.158 0.000 1.201 469 R HN 0.324 nan 8.270 nan 0.000 0.457 470 F N -0.086 119.921 119.950 0.095 0.000 2.569 470 F HA 0.727 5.253 4.527 -0.001 0.000 0.312 470 F C 0.524 176.387 175.800 0.105 0.000 1.109 470 F CA -0.615 57.450 58.000 0.108 0.000 0.919 470 F CB 2.853 41.914 39.000 0.102 0.000 1.211 470 F HN 0.648 nan 8.300 nan 0.000 0.446 471 G N 1.340 110.323 108.800 0.304 0.000 2.623 471 G HA2 0.390 4.349 3.960 -0.001 0.000 0.290 471 G HA3 0.390 4.349 3.960 -0.001 0.000 0.290 471 G C -0.517 174.563 174.900 0.299 0.000 1.437 471 G CA -0.698 44.544 45.100 0.236 0.000 0.798 471 G HN 0.586 nan 8.290 nan 0.000 0.488 472 E N -0.537 119.802 120.200 0.231 0.000 2.299 472 E HA 0.049 4.399 4.350 -0.001 0.000 0.193 472 E C 0.371 177.180 176.600 0.348 0.000 0.998 472 E CA 0.509 57.061 56.400 0.254 0.000 0.851 472 E CB 0.226 30.016 29.700 0.150 0.000 0.795 472 E HN 0.089 nan 8.360 nan 0.000 0.492 473 K N 1.335 121.845 120.400 0.184 0.000 2.118 473 K HA 0.368 4.688 4.320 -0.001 0.000 0.254 473 K C -2.582 173.756 176.600 -0.437 0.000 0.961 473 K CA -2.650 53.618 56.287 -0.030 0.000 0.876 473 K CB 0.739 33.220 32.500 -0.032 0.000 1.077 473 K HN -0.214 nan 8.250 nan 0.000 0.440 474 P HA 0.057 nan 4.420 nan 0.000 0.265 474 P C -0.354 176.667 177.300 -0.465 0.000 1.187 474 P CA 0.334 62.749 63.100 -1.141 0.000 0.766 474 P CB 0.296 31.557 31.700 -0.731 0.000 0.820 475 I N 3.451 123.827 120.570 -0.323 0.000 2.291 475 I HA 0.136 4.305 4.170 -0.001 0.000 0.290 475 I C 1.159 177.210 176.117 -0.109 0.000 1.050 475 I CA 0.176 61.386 61.300 -0.151 0.000 1.245 475 I CB 0.482 38.425 38.000 -0.095 0.000 1.405 475 I HN 0.306 nan 8.210 nan 0.000 0.478 476 Q N 3.156 122.910 119.800 -0.078 0.000 2.198 476 Q HA 0.166 4.505 4.340 -0.001 0.000 0.209 476 Q C 0.138 176.135 176.000 -0.004 0.000 0.848 476 Q CA -0.114 55.677 55.803 -0.021 0.000 0.974 476 Q CB 0.597 29.342 28.738 0.011 0.000 1.115 476 Q HN 0.589 nan 8.270 nan 0.000 0.494 477 S N 2.123 117.756 115.700 -0.112 0.000 3.900 477 S HA 0.016 4.486 4.470 -0.001 0.000 0.248 477 S C 0.625 174.980 174.600 -0.409 0.000 1.310 477 S CA -0.143 57.854 58.200 -0.338 0.000 0.915 477 S CB -0.298 62.528 63.200 -0.625 0.000 1.588 477 S HN 0.270 nan 8.310 nan 0.000 0.472 478 T N 1.255 115.768 114.554 -0.068 0.000 4.309 478 T HA 0.389 4.738 4.350 -0.001 0.000 0.242 478 T C -0.279 174.447 174.700 0.042 0.000 1.142 478 T CA -0.570 61.513 62.100 -0.030 0.000 1.042 478 T CB -1.234 67.692 68.868 0.097 0.000 1.366 478 T HN 0.582 nan 8.240 nan 0.000 0.942 479 Y N -1.448 118.768 120.300 -0.139 0.000 2.641 479 Y HA 0.604 5.154 4.550 -0.001 0.000 0.333 479 Y C -0.992 174.771 175.900 -0.228 0.000 1.174 479 Y CA -2.160 55.836 58.100 -0.174 0.000 1.057 479 Y CB 0.646 39.050 38.460 -0.095 0.000 1.322 479 Y HN 0.068 nan 8.280 nan 0.000 0.457 480 L N 2.097 123.237 121.223 -0.138 0.000 2.482 480 L HA 0.281 4.621 4.340 -0.001 0.000 0.273 480 L C 0.051 176.939 176.870 0.031 0.000 1.228 480 L CA -1.010 53.659 54.840 -0.285 0.000 0.827 480 L CB 0.351 42.166 42.059 -0.408 0.000 1.099 480 L HN 0.545 nan 8.230 nan 0.000 0.494 481 V N 1.949 121.996 119.914 0.222 0.000 2.572 481 V HA -0.034 4.085 4.120 -0.001 0.000 0.291 481 V C 0.685 176.916 176.094 0.229 0.000 1.039 481 V CA 0.240 62.673 62.300 0.222 0.000 1.055 481 V CB 0.928 32.879 31.823 0.213 0.000 0.969 481 V HN 0.985 nan 8.190 nan 0.000 0.482 482 N N 3.547 122.358 118.700 0.185 0.000 2.257 482 N HA 0.112 4.851 4.740 -0.001 0.000 0.200 482 N C 0.418 175.988 175.510 0.100 0.000 1.163 482 N CA -0.134 53.000 53.050 0.139 0.000 0.891 482 N CB 0.482 39.040 38.487 0.118 0.000 1.067 482 N HN 0.563 nan 8.380 nan 0.000 0.497 483 R N 0.659 121.217 120.500 0.096 0.000 2.513 483 R HA 0.594 4.933 4.340 -0.001 0.000 0.283 483 R C -1.190 175.157 176.300 0.078 0.000 1.535 483 R CA -0.492 55.650 56.100 0.070 0.000 1.315 483 R CB 1.583 31.913 30.300 0.051 0.000 1.163 483 R HN 0.179 nan 8.270 nan 0.000 0.573 484 A N 1.210 124.077 122.820 0.077 0.000 2.316 484 A HA 0.229 4.549 4.320 -0.001 0.000 0.284 484 A C 0.357 178.002 177.584 0.102 0.000 1.115 484 A CA -0.521 51.569 52.037 0.088 0.000 0.812 484 A CB 0.523 19.566 19.000 0.071 0.000 1.064 484 A HN 0.624 nan 8.150 nan 0.000 0.489 485 D N -0.821 119.662 120.400 0.139 0.000 2.301 485 D HA 0.042 4.682 4.640 -0.001 0.000 0.206 485 D C -0.734 175.700 176.300 0.224 0.000 0.979 485 D CA 1.424 55.520 54.000 0.161 0.000 0.874 485 D CB 0.309 41.206 40.800 0.161 0.000 0.968 485 D HN 0.559 nan 8.370 nan 0.000 0.510 486 Y N 1.121 121.463 120.300 0.071 0.000 2.373 486 Y HA 0.378 4.927 4.550 -0.001 0.000 0.336 486 Y C -1.448 174.448 175.900 -0.006 0.000 0.979 486 Y CA -0.721 57.414 58.100 0.058 0.000 1.080 486 Y CB 1.596 40.093 38.460 0.062 0.000 1.190 486 Y HN -0.399 nan 8.280 nan 0.000 0.446 487 V N 5.581 125.256 119.914 -0.398 0.000 2.525 487 V HA 0.850 4.969 4.120 -0.001 0.000 0.299 487 V C -0.696 175.237 176.094 -0.267 0.000 1.034 487 V CA -0.547 61.615 62.300 -0.230 0.000 0.863 487 V CB 1.391 33.216 31.823 0.003 0.000 0.999 487 V HN 0.923 nan 8.190 nan 0.000 0.423 488 A N 3.326 126.007 122.820 -0.230 0.000 2.355 488 A HA 0.718 5.037 4.320 -0.001 0.000 0.317 488 A C -0.617 177.096 177.584 0.214 0.000 1.094 488 A CA -0.461 51.575 52.037 -0.002 0.000 0.764 488 A CB 1.534 20.639 19.000 0.175 0.000 1.230 488 A HN 0.972 nan 8.150 nan 0.000 0.448 489 C N 3.100 122.575 119.300 0.293 0.000 2.294 489 C HA 0.523 4.982 4.460 -0.001 0.000 0.319 489 C C 0.799 175.995 174.990 0.342 0.000 1.164 489 C CA -0.411 58.804 59.018 0.328 0.000 1.497 489 C CB -1.514 26.418 27.740 0.320 0.000 2.061 489 C HN 1.004 nan 8.230 nan 0.000 0.438 490 H N 2.852 122.056 119.070 0.223 0.000 2.547 490 H HA 0.099 4.654 4.556 -0.001 0.000 0.266 490 H C 0.598 175.912 175.328 -0.023 0.000 0.988 490 H CA 0.211 56.323 56.048 0.107 0.000 1.147 490 H CB 0.238 30.095 29.762 0.159 0.000 1.365 490 H HN 0.691 nan 8.280 nan 0.000 0.589 491 N N 0.978 119.676 118.700 -0.004 0.000 2.519 491 N HA 0.059 4.798 4.740 -0.001 0.000 0.286 491 N C -2.048 173.313 175.510 -0.249 0.000 1.079 491 N CA -2.052 50.829 53.050 -0.281 0.000 0.878 491 N CB 1.710 39.725 38.487 -0.787 0.000 1.375 491 N HN -0.124 nan 8.380 nan 0.000 0.514 492 P HA -0.155 nan 4.420 nan 0.000 0.219 492 P C 1.012 178.347 177.300 0.059 0.000 1.146 492 P CA 0.907 63.899 63.100 -0.179 0.000 0.808 492 P CB 0.253 31.652 31.700 -0.501 0.000 0.779 493 A N -0.673 122.145 122.820 -0.004 0.000 2.019 493 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 493 A C 2.215 179.940 177.584 0.235 0.000 1.164 493 A CA 1.014 53.118 52.037 0.112 0.000 0.644 493 A CB -1.809 17.230 19.000 0.064 0.000 0.805 493 A HN 0.249 nan 8.150 nan 0.000 0.449 494 Y N -0.794 119.606 120.300 0.167 0.000 2.352 494 Y HA -0.146 4.403 4.550 -0.001 0.000 0.292 494 Y C 2.416 178.348 175.900 0.054 0.000 1.136 494 Y CA 0.265 58.472 58.100 0.178 0.000 1.227 494 Y CB -0.206 38.440 38.460 0.309 0.000 0.991 494 Y HN 0.129 nan 8.280 nan 0.000 0.545 495 V N -0.085 119.979 119.914 0.250 0.000 2.363 495 V HA -0.350 3.770 4.120 -0.001 0.000 0.254 495 V C 2.228 178.357 176.094 0.059 0.000 1.074 495 V CA 2.194 64.597 62.300 0.171 0.000 1.069 495 V CB -1.087 30.925 31.823 0.316 0.000 0.659 495 V HN 0.611 nan 8.190 nan 0.000 0.455 496 G N -1.111 107.720 108.800 0.051 0.000 3.020 496 G HA2 0.161 4.121 3.960 -0.001 0.000 0.217 496 G HA3 0.161 4.121 3.960 -0.001 0.000 0.217 496 G C 1.256 176.102 174.900 -0.091 0.000 1.144 496 G CA 0.556 45.639 45.100 -0.027 0.000 0.760 496 G HN 0.647 nan 8.290 nan 0.000 0.548 497 I N -4.364 116.109 120.570 -0.162 0.000 4.032 497 I HA 0.474 4.643 4.170 -0.001 0.000 0.313 497 I C -0.036 175.809 176.117 -0.454 0.000 1.272 497 I CA -0.451 60.635 61.300 -0.358 0.000 1.307 497 I CB 0.453 38.122 38.000 -0.552 0.000 1.155 497 I HN -0.090 nan 8.210 nan 0.000 0.431 498 Y N 1.525 121.787 120.300 -0.065 0.000 2.468 498 Y HA 0.417 4.966 4.550 -0.001 0.000 0.342 498 Y C -0.441 175.301 175.900 -0.264 0.000 1.021 498 Y CA -1.108 56.906 58.100 -0.143 0.000 1.079 498 Y CB 1.287 39.623 38.460 -0.206 0.000 1.226 498 Y HN -0.110 nan 8.280 nan 0.000 0.460 499 D N 3.289 123.681 120.400 -0.013 0.000 2.608 499 D HA 0.046 4.686 4.640 -0.001 0.000 0.224 499 D C 1.049 177.210 176.300 -0.231 0.000 1.123 499 D CA 0.011 53.949 54.000 -0.103 0.000 1.030 499 D CB -0.235 40.559 40.800 -0.010 0.000 1.093 499 D HN 0.611 nan 8.370 nan 0.000 0.497 500 I N -1.225 119.024 120.570 -0.535 0.000 2.454 500 I HA -0.145 4.024 4.170 -0.001 0.000 0.254 500 I C 1.153 177.023 176.117 -0.411 0.000 1.156 500 I CA 0.919 61.718 61.300 -0.835 0.000 1.433 500 I CB -0.136 37.251 38.000 -1.021 0.000 1.082 500 I HN 0.162 nan 8.210 nan 0.000 0.432 501 L N 1.353 122.352 121.223 -0.373 0.000 2.628 501 L HA 0.233 4.572 4.340 -0.001 0.000 0.229 501 L C 0.912 177.695 176.870 -0.145 0.000 1.137 501 L CA -0.135 54.513 54.840 -0.319 0.000 0.909 501 L CB -0.509 41.284 42.059 -0.443 0.000 1.137 501 L HN 0.308 nan 8.230 nan 0.000 0.470 502 E N 1.341 121.499 120.200 -0.072 0.000 2.585 502 E HA 0.025 4.374 4.350 -0.001 0.000 0.252 502 E C 1.298 177.908 176.600 0.016 0.000 0.981 502 E CA 0.831 57.225 56.400 -0.010 0.000 0.943 502 E CB 0.248 29.975 29.700 0.045 0.000 0.923 502 E HN 0.379 nan 8.360 nan 0.000 0.486 503 G N 4.317 113.120 108.800 0.004 0.000 2.184 503 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.264 503 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.264 503 G C 0.450 175.361 174.900 0.019 0.000 0.975 503 G CA 0.201 45.313 45.100 0.019 0.000 0.642 503 G HN 0.702 nan 8.290 nan 0.000 0.536 504 I N 1.277 121.846 120.570 -0.001 0.000 2.845 504 I HA 0.171 4.340 4.170 -0.001 0.000 0.296 504 I C 0.892 177.023 176.117 0.023 0.000 1.216 504 I CA 0.076 61.381 61.300 0.008 0.000 1.438 504 I CB 0.265 38.246 38.000 -0.031 0.000 1.342 504 I HN 0.145 nan 8.210 nan 0.000 0.577 505 K N 5.815 126.243 120.400 0.047 0.000 2.295 505 K HA 0.108 4.427 4.320 -0.001 0.000 0.270 505 K C -0.562 176.074 176.600 0.060 0.000 1.011 505 K CA -0.640 55.677 56.287 0.051 0.000 0.953 505 K CB 0.274 32.812 32.500 0.063 0.000 0.956 505 K HN 0.505 nan 8.250 nan 0.000 0.477 506 D N 0.767 121.199 120.400 0.054 0.000 2.493 506 D HA 0.047 4.687 4.640 -0.001 0.000 0.240 506 D C 1.255 177.606 176.300 0.085 0.000 1.142 506 D CA 1.361 55.400 54.000 0.064 0.000 0.872 506 D CB 0.640 41.472 40.800 0.054 0.000 1.173 506 D HN 0.778 nan 8.370 nan 0.000 0.467 507 G N 1.621 110.487 108.800 0.109 0.000 2.179 507 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.260 507 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.260 507 G C 0.813 175.806 174.900 0.155 0.000 0.977 507 G CA 0.196 45.375 45.100 0.131 0.000 0.641 507 G HN 0.836 nan 8.290 nan 0.000 0.533 508 G N -0.728 108.160 108.800 0.146 0.000 2.699 508 G HA2 0.481 4.440 3.960 -0.001 0.000 0.246 508 G HA3 0.481 4.440 3.960 -0.001 0.000 0.246 508 G C 0.125 175.162 174.900 0.228 0.000 1.219 508 G CA 0.829 46.028 45.100 0.164 0.000 0.866 508 G HN 0.638 nan 8.290 nan 0.000 0.572 509 T N 0.623 115.322 114.554 0.241 0.000 2.767 509 T HA 0.407 4.756 4.350 -0.001 0.000 0.284 509 T C -1.184 173.657 174.700 0.235 0.000 0.973 509 T CA -0.035 62.241 62.100 0.293 0.000 0.996 509 T CB 1.062 70.110 68.868 0.301 0.000 0.927 509 T HN 0.356 nan 8.240 nan 0.000 0.456 510 F N 4.852 124.905 119.950 0.172 0.000 2.445 510 F HA 0.613 5.139 4.527 -0.001 0.000 0.348 510 F C -1.132 174.801 175.800 0.221 0.000 1.125 510 F CA -1.548 56.523 58.000 0.120 0.000 0.983 510 F CB 0.692 39.816 39.000 0.207 0.000 1.198 510 F HN 0.253 nan 8.300 nan 0.000 0.436 511 V N 7.359 127.133 119.914 -0.234 0.000 2.427 511 V HA 0.500 4.619 4.120 -0.001 0.000 0.286 511 V C -0.764 175.083 176.094 -0.411 0.000 1.034 511 V CA -0.705 61.433 62.300 -0.269 0.000 0.893 511 V CB 1.402 33.180 31.823 -0.075 0.000 0.982 511 V HN 0.673 nan 8.190 nan 0.000 0.452 512 L N 4.758 125.729 121.223 -0.420 0.000 2.365 512 L HA 0.530 4.870 4.340 -0.001 0.000 0.273 512 L C -0.219 176.544 176.870 -0.179 0.000 1.000 512 L CA -0.170 54.498 54.840 -0.288 0.000 0.819 512 L CB 1.878 43.770 42.059 -0.278 0.000 1.284 512 L HN 0.731 nan 8.230 nan 0.000 0.418 513 N N 3.271 121.902 118.700 -0.115 0.000 2.462 513 N HA 0.560 5.299 4.740 -0.001 0.000 0.242 513 N C -1.236 174.090 175.510 -0.307 0.000 1.010 513 N CA 0.109 53.067 53.050 -0.154 0.000 0.939 513 N CB 0.604 39.043 38.487 -0.079 0.000 1.127 513 N HN 0.792 nan 8.380 nan 0.000 0.509 514 S N 2.941 118.400 115.700 -0.401 0.000 2.567 514 S HA 0.408 4.878 4.470 -0.001 0.000 0.270 514 S C -2.839 171.424 174.600 -0.562 0.000 1.152 514 S CA -0.849 56.913 58.200 -0.730 0.000 0.835 514 S CB 2.210 64.631 63.200 -1.298 0.000 1.115 514 S HN 0.418 nan 8.310 nan 0.000 0.459 515 P HA 0.277 nan 4.420 nan 0.000 0.261 515 P C -0.588 176.663 177.300 -0.082 0.000 1.352 515 P CA 0.015 62.949 63.100 -0.276 0.000 0.891 515 P CB -0.207 31.382 31.700 -0.185 0.000 1.383 516 W N 1.143 122.389 121.300 -0.091 0.000 1.611 516 W HA 0.294 4.953 4.660 -0.001 0.000 0.395 516 W C 0.896 177.439 176.519 0.039 0.000 0.698 516 W CA -0.701 56.606 57.345 -0.063 0.000 1.845 516 W CB -1.057 28.341 29.460 -0.104 0.000 1.818 516 W HN -0.014 nan 8.180 nan 0.000 0.270 517 S N 1.100 116.942 115.700 0.236 0.000 2.345 517 S HA -0.124 4.346 4.470 -0.001 0.000 0.219 517 S C 1.391 176.209 174.600 0.364 0.000 1.031 517 S CA 1.033 59.385 58.200 0.253 0.000 0.984 517 S CB -0.312 62.978 63.200 0.150 0.000 0.874 517 S HN 0.446 nan 8.310 nan 0.000 0.451 518 S N 1.973 117.839 115.700 0.277 0.000 2.576 518 S HA 0.139 4.609 4.470 -0.001 0.000 0.272 518 S C 0.881 175.701 174.600 0.366 0.000 1.352 518 S CA -0.526 57.825 58.200 0.251 0.000 1.021 518 S CB 0.459 63.767 63.200 0.179 0.000 0.887 518 S HN 0.183 nan 8.310 nan 0.000 0.542 519 L N 1.447 122.849 121.223 0.299 0.000 2.217 519 L HA 0.012 4.351 4.340 -0.001 0.000 0.211 519 L C 2.458 179.528 176.870 0.333 0.000 1.107 519 L CA 2.049 57.118 54.840 0.382 0.000 0.783 519 L CB -1.085 41.091 42.059 0.196 0.000 0.919 519 L HN 0.990 nan 8.230 nan 0.000 0.442 520 E N -1.913 118.424 120.200 0.228 0.000 2.072 520 E HA -0.190 4.160 4.350 -0.001 0.000 0.190 520 E C 1.383 178.088 176.600 0.175 0.000 0.982 520 E CA 1.196 57.700 56.400 0.175 0.000 0.803 520 E CB -0.510 29.264 29.700 0.122 0.000 0.755 520 E HN 0.419 nan 8.360 nan 0.000 0.453 521 D N 0.620 121.143 120.400 0.205 0.000 2.117 521 D HA -0.139 4.500 4.640 -0.001 0.000 0.198 521 D C 1.956 178.361 176.300 0.175 0.000 0.982 521 D CA 1.255 55.375 54.000 0.201 0.000 0.828 521 D CB -0.183 40.747 40.800 0.218 0.000 0.967 521 D HN 0.188 nan 8.370 nan 0.000 0.464 522 M N 1.386 121.156 119.600 0.284 0.000 2.080 522 M HA -0.152 4.328 4.480 -0.001 0.000 0.260 522 M C 1.040 177.433 176.300 0.156 0.000 1.068 522 M CA 1.576 57.049 55.300 0.288 0.000 1.109 522 M CB -0.408 32.468 32.600 0.460 0.000 1.342 522 M HN -0.220 nan 8.290 nan 0.000 0.405 523 D N -0.350 120.186 120.400 0.226 0.000 2.218 523 D HA -0.157 4.483 4.640 -0.001 0.000 0.204 523 D C 1.929 178.182 176.300 -0.079 0.000 0.976 523 D CA 1.000 55.050 54.000 0.082 0.000 0.853 523 D CB -0.298 40.618 40.800 0.193 0.000 0.939 523 D HN 0.502 nan 8.370 nan 0.000 0.481 524 K N -0.337 120.019 120.400 -0.074 0.000 2.044 524 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 524 K C 1.518 177.849 176.600 -0.449 0.000 1.049 524 K CA 0.973 57.126 56.287 -0.223 0.000 0.945 524 K CB 0.109 32.492 32.500 -0.194 0.000 0.724 524 K HN 0.158 nan 8.250 nan 0.000 0.440 525 H N -0.445 118.269 119.070 -0.594 0.000 2.486 525 H HA 0.105 4.660 4.556 -0.001 0.000 0.287 525 H C -0.265 174.674 175.328 -0.648 0.000 1.010 525 H CA -0.069 55.461 56.048 -0.863 0.000 1.324 525 H CB 0.159 28.712 29.762 -2.015 0.000 1.446 525 H HN 0.034 nan 8.280 nan 0.000 0.537 526 L N 3.562 124.564 121.223 -0.368 0.000 2.433 526 L HA 0.238 4.577 4.340 -0.001 0.000 0.275 526 L C -2.380 174.314 176.870 -0.293 0.000 1.128 526 L CA -2.276 52.430 54.840 -0.223 0.000 0.875 526 L CB 0.390 42.345 42.059 -0.173 0.000 1.171 526 L HN -0.078 nan 8.230 nan 0.000 0.463 527 P HA 0.063 nan 4.420 nan 0.000 0.268 527 P C 0.515 177.632 177.300 -0.306 0.000 1.208 527 P CA 0.150 63.110 63.100 -0.233 0.000 0.777 527 P CB 0.565 32.164 31.700 -0.168 0.000 0.875 528 S N 1.202 116.738 115.700 -0.273 0.000 2.383 528 S HA -0.148 4.322 4.470 -0.001 0.000 0.229 528 S C 2.188 176.634 174.600 -0.256 0.000 1.030 528 S CA 1.406 59.432 58.200 -0.290 0.000 1.002 528 S CB -1.739 61.340 63.200 -0.203 0.000 0.829 528 S HN 0.565 nan 8.310 nan 0.000 0.467 529 G N 2.365 111.043 108.800 -0.203 0.000 2.440 529 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.218 529 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.218 529 G C 1.382 176.158 174.900 -0.207 0.000 1.154 529 G CA 1.092 46.087 45.100 -0.174 0.000 0.767 529 G HN 0.497 nan 8.290 nan 0.000 0.552 530 I N 0.844 121.264 120.570 -0.250 0.000 2.252 530 I HA -0.056 4.113 4.170 -0.001 0.000 0.245 530 I C 2.580 178.500 176.117 -0.327 0.000 1.102 530 I CA 1.034 62.163 61.300 -0.286 0.000 1.385 530 I CB -0.967 36.874 38.000 -0.265 0.000 1.064 530 I HN 0.222 nan 8.210 nan 0.000 0.414 531 K N 0.726 120.853 120.400 -0.454 0.000 2.009 531 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 531 K C 2.284 178.793 176.600 -0.152 0.000 1.049 531 K CA 1.450 57.398 56.287 -0.565 0.000 0.929 531 K CB -0.204 31.635 32.500 -1.101 0.000 0.714 531 K HN 0.248 nan 8.250 nan 0.000 0.440 532 R N 0.257 120.664 120.500 -0.156 0.000 2.083 532 R HA -0.107 4.232 4.340 -0.001 0.000 0.237 532 R C 2.480 178.748 176.300 -0.053 0.000 1.137 532 R CA 1.916 57.983 56.100 -0.056 0.000 0.951 532 R CB -0.553 29.704 30.300 -0.070 0.000 0.851 532 R HN 0.243 nan 8.270 nan 0.000 0.434 533 T N 1.348 115.839 114.554 -0.106 0.000 2.652 533 T HA -0.123 4.227 4.350 -0.001 0.000 0.267 533 T C 1.920 176.566 174.700 -0.090 0.000 1.039 533 T CA 1.349 63.387 62.100 -0.104 0.000 1.153 533 T CB -0.203 68.569 68.868 -0.160 0.000 0.863 533 T HN 0.152 nan 8.240 nan 0.000 0.428 534 I N 1.280 121.767 120.570 -0.139 0.000 2.208 534 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 534 I C 2.912 178.947 176.117 -0.137 0.000 1.097 534 I CA 1.243 62.450 61.300 -0.155 0.000 1.363 534 I CB -0.512 37.312 38.000 -0.294 0.000 1.051 534 I HN 0.221 nan 8.210 nan 0.000 0.413 535 A N 1.121 123.885 122.820 -0.094 0.000 1.841 535 A HA -0.211 4.108 4.320 -0.001 0.000 0.214 535 A C 2.021 179.675 177.584 0.118 0.000 1.195 535 A CA 2.197 54.278 52.037 0.073 0.000 0.611 535 A CB -0.936 18.176 19.000 0.186 0.000 0.835 535 A HN 0.402 nan 8.150 nan 0.000 0.443 536 N N -0.049 118.692 118.700 0.068 0.000 2.205 536 N HA -0.106 4.633 4.740 -0.001 0.000 0.186 536 N C 1.296 176.842 175.510 0.059 0.000 1.015 536 N CA 1.434 54.520 53.050 0.059 0.000 0.862 536 N CB -0.142 38.363 38.487 0.030 0.000 0.986 536 N HN 0.499 nan 8.380 nan 0.000 0.429 537 K N 0.355 120.786 120.400 0.053 0.000 2.417 537 K HA 0.121 4.440 4.320 -0.001 0.000 0.196 537 K C -0.382 176.280 176.600 0.103 0.000 1.023 537 K CA -0.012 56.311 56.287 0.061 0.000 1.122 537 K CB 0.470 32.991 32.500 0.036 0.000 0.850 537 K HN -0.091 nan 8.250 nan 0.000 0.521 538 K N 1.156 121.642 120.400 0.144 0.000 3.278 538 K HA -0.175 4.145 4.320 -0.001 0.000 0.270 538 K C -0.690 176.049 176.600 0.232 0.000 0.955 538 K CA 0.484 56.895 56.287 0.205 0.000 0.723 538 K CB -1.856 30.730 32.500 0.145 0.000 1.382 538 K HN 0.225 nan 8.250 nan 0.000 0.461 539 L N 0.704 122.082 121.223 0.259 0.000 2.371 539 L HA 0.151 4.490 4.340 -0.001 0.000 0.272 539 L C 0.810 177.932 176.870 0.419 0.000 1.124 539 L CA -0.439 54.576 54.840 0.292 0.000 0.816 539 L CB 0.721 42.930 42.059 0.250 0.000 1.129 539 L HN 0.134 nan 8.230 nan 0.000 0.448 540 K N 3.660 124.300 120.400 0.401 0.000 2.167 540 K HA 0.139 4.459 4.320 -0.001 0.000 0.275 540 K C -0.603 176.349 176.600 0.587 0.000 1.103 540 K CA -0.164 56.386 56.287 0.438 0.000 0.963 540 K CB -0.040 32.765 32.500 0.509 0.000 1.243 540 K HN 0.220 nan 8.250 nan 0.000 0.407 541 F N 3.511 123.669 119.950 0.348 0.000 2.420 541 F HA 0.223 4.749 4.527 -0.001 0.000 0.352 541 F C -0.878 175.009 175.800 0.144 0.000 1.108 541 F CA -0.901 57.300 58.000 0.335 0.000 1.162 541 F CB 0.274 39.518 39.000 0.407 0.000 1.118 541 F HN 0.289 nan 8.300 nan 0.000 0.510 542 Y N 4.344 124.400 120.300 -0.407 0.000 2.391 542 Y HA 0.328 4.877 4.550 -0.001 0.000 0.341 542 Y C -0.329 175.129 175.900 -0.736 0.000 0.965 542 Y CA -1.140 56.696 58.100 -0.439 0.000 1.067 542 Y CB 1.694 40.073 38.460 -0.134 0.000 1.199 542 Y HN 0.613 nan 8.280 nan 0.000 0.450 543 N N 3.118 121.534 118.700 -0.472 0.000 2.284 543 N HA 0.658 5.398 4.740 -0.001 0.000 0.300 543 N C -1.858 173.566 175.510 -0.143 0.000 1.047 543 N CA -0.536 52.271 53.050 -0.404 0.000 0.821 543 N CB 1.324 39.523 38.487 -0.481 0.000 1.337 543 N HN 0.726 nan 8.380 nan 0.000 0.482 544 I N 1.729 122.224 120.570 -0.126 0.000 2.571 544 I HA 0.265 4.435 4.170 -0.001 0.000 0.289 544 I C -1.144 174.914 176.117 -0.098 0.000 1.115 544 I CA -0.660 60.600 61.300 -0.066 0.000 1.045 544 I CB 1.569 39.554 38.000 -0.024 0.000 1.238 544 I HN 0.547 nan 8.210 nan 0.000 0.424 545 D N 6.903 127.256 120.400 -0.079 0.000 2.608 545 D HA 0.209 4.848 4.640 -0.001 0.000 0.224 545 D C 1.137 177.390 176.300 -0.078 0.000 1.123 545 D CA 0.382 54.322 54.000 -0.100 0.000 1.030 545 D CB 1.089 41.846 40.800 -0.071 0.000 1.093 545 D HN 0.715 nan 8.370 nan 0.000 0.497 546 A N 2.312 125.080 122.820 -0.088 0.000 1.927 546 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 546 A C 2.319 179.865 177.584 -0.064 0.000 1.185 546 A CA 1.395 53.389 52.037 -0.071 0.000 0.639 546 A CB -0.432 18.516 19.000 -0.087 0.000 0.820 546 A HN 0.438 nan 8.150 nan 0.000 0.451 547 V N 0.222 120.092 119.914 -0.074 0.000 2.343 547 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 547 V C 2.535 178.601 176.094 -0.046 0.000 1.051 547 V CA 2.421 64.686 62.300 -0.059 0.000 1.036 547 V CB -0.699 31.084 31.823 -0.066 0.000 0.654 547 V HN 0.731 nan 8.190 nan 0.000 0.451 548 K N 0.183 120.555 120.400 -0.047 0.000 2.025 548 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 548 K C 2.132 178.716 176.600 -0.027 0.000 1.049 548 K CA 1.691 57.959 56.287 -0.032 0.000 0.933 548 K CB -0.215 32.269 32.500 -0.028 0.000 0.714 548 K HN 0.420 nan 8.250 nan 0.000 0.438 549 I N 1.177 121.729 120.570 -0.029 0.000 2.179 549 I HA -0.254 3.915 4.170 -0.001 0.000 0.242 549 I C 2.580 178.679 176.117 -0.029 0.000 1.088 549 I CA 1.213 62.498 61.300 -0.024 0.000 1.357 549 I CB -0.492 37.495 38.000 -0.021 0.000 1.051 549 I HN 0.272 nan 8.210 nan 0.000 0.409 550 A N 0.565 123.364 122.820 -0.034 0.000 1.908 550 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 550 A C 2.380 179.942 177.584 -0.035 0.000 1.181 550 A CA 2.601 54.615 52.037 -0.038 0.000 0.627 550 A CB -1.135 17.841 19.000 -0.039 0.000 0.818 550 A HN 0.418 nan 8.150 nan 0.000 0.445 551 T N 0.164 114.700 114.554 -0.030 0.000 2.777 551 T HA -0.108 4.242 4.350 -0.001 0.000 0.266 551 T C 1.459 176.144 174.700 -0.024 0.000 1.040 551 T CA 1.383 63.467 62.100 -0.026 0.000 1.141 551 T CB -0.380 68.475 68.868 -0.021 0.000 0.868 551 T HN 0.482 nan 8.240 nan 0.000 0.444 552 D N 1.350 121.736 120.400 -0.023 0.000 2.144 552 D HA -0.075 4.564 4.640 -0.001 0.000 0.199 552 D C 2.239 178.525 176.300 -0.024 0.000 0.984 552 D CA 1.108 55.096 54.000 -0.020 0.000 0.834 552 D CB -0.327 40.463 40.800 -0.016 0.000 0.955 552 D HN 0.452 nan 8.370 nan 0.000 0.465 553 V N -2.871 117.025 119.914 -0.030 0.000 3.573 553 V HA 0.390 4.509 4.120 -0.001 0.000 0.270 553 V C 1.512 177.580 176.094 -0.045 0.000 1.221 553 V CA 0.836 63.113 62.300 -0.038 0.000 1.163 553 V CB -0.134 31.662 31.823 -0.045 0.000 0.847 553 V HN 0.245 nan 8.190 nan 0.000 0.468 554 G N 0.702 109.478 108.800 -0.040 0.000 2.175 554 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.244 554 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.244 554 G C 0.324 175.195 174.900 -0.048 0.000 0.982 554 G CA 0.252 45.328 45.100 -0.041 0.000 0.641 554 G HN 0.532 nan 8.290 nan 0.000 0.527 555 L N 1.239 122.430 121.223 -0.054 0.000 2.718 555 L HA 0.356 4.696 4.340 -0.001 0.000 0.242 555 L C 2.028 178.874 176.870 -0.040 0.000 1.203 555 L CA 0.451 55.256 54.840 -0.059 0.000 1.011 555 L CB -0.531 41.486 42.059 -0.070 0.000 1.250 555 L HN 0.730 nan 8.230 nan 0.000 0.437 556 G N 0.447 109.227 108.800 -0.032 0.000 2.416 556 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.301 556 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.301 556 G C 1.094 175.981 174.900 -0.021 0.000 0.985 556 G CA 0.554 45.641 45.100 -0.023 0.000 0.934 556 G HN 0.743 nan 8.290 nan 0.000 0.513 557 G N -1.372 107.413 108.800 -0.026 0.000 2.184 557 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.264 557 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.264 557 G C 0.505 175.390 174.900 -0.026 0.000 0.975 557 G CA 1.153 46.237 45.100 -0.027 0.000 0.642 557 G HN 1.290 nan 8.290 nan 0.000 0.536 558 R N 0.892 121.378 120.500 -0.023 0.000 2.370 558 R HA 0.475 4.814 4.340 -0.001 0.000 0.309 558 R C 2.036 178.322 176.300 -0.024 0.000 1.059 558 R CA 0.192 56.282 56.100 -0.016 0.000 0.981 558 R CB 0.015 30.310 30.300 -0.009 0.000 0.972 558 R HN 0.587 nan 8.270 nan 0.000 0.437 559 I N 1.788 122.341 120.570 -0.027 0.000 3.603 559 I HA 0.001 4.170 4.170 -0.001 0.000 0.297 559 I C 1.085 177.173 176.117 -0.048 0.000 1.269 559 I CA 0.351 61.623 61.300 -0.047 0.000 1.361 559 I CB -0.249 37.709 38.000 -0.070 0.000 1.063 559 I HN 0.660 nan 8.210 nan 0.000 0.448 560 N N 2.101 120.793 118.700 -0.014 0.000 2.060 560 N HA -0.321 4.418 4.740 -0.001 0.000 0.195 560 N C 1.746 177.271 175.510 0.026 0.000 1.028 560 N CA 2.219 55.274 53.050 0.010 0.000 0.861 560 N CB -0.584 37.931 38.487 0.047 0.000 1.029 560 N HN 0.326 nan 8.380 nan 0.000 0.428 561 M N -0.473 119.142 119.600 0.026 0.000 2.175 561 M HA 0.132 4.612 4.480 -0.001 0.000 0.264 561 M C 1.340 177.656 176.300 0.026 0.000 1.063 561 M CA 1.096 56.416 55.300 0.033 0.000 1.119 561 M CB -0.284 32.310 32.600 -0.011 0.000 1.377 561 M HN 0.244 nan 8.290 nan 0.000 0.415 562 I N -0.390 120.179 120.570 -0.002 0.000 2.202 562 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 562 I C 2.004 178.134 176.117 0.021 0.000 1.091 562 I CA 1.276 62.576 61.300 -0.000 0.000 1.368 562 I CB -0.703 37.280 38.000 -0.027 0.000 1.058 562 I HN 0.245 nan 8.210 nan 0.000 0.410 563 M N -0.511 119.068 119.600 -0.034 0.000 2.374 563 M HA -0.139 4.340 4.480 -0.001 0.000 0.264 563 M C 2.196 178.602 176.300 0.176 0.000 1.067 563 M CA 1.223 56.501 55.300 -0.037 0.000 1.103 563 M CB -1.286 31.018 32.600 -0.493 0.000 1.402 563 M HN 0.283 nan 8.290 nan 0.000 0.444 564 Q N 0.353 120.259 119.800 0.177 0.000 2.123 564 Q HA -0.065 4.275 4.340 -0.001 0.000 0.199 564 Q C 1.785 178.041 176.000 0.427 0.000 0.966 564 Q CA 2.024 58.023 55.803 0.327 0.000 0.845 564 Q CB -0.282 28.607 28.738 0.252 0.000 0.907 564 Q HN 0.442 nan 8.270 nan 0.000 0.439 565 T N 0.346 115.042 114.554 0.236 0.000 2.746 565 T HA -0.098 4.252 4.350 -0.001 0.000 0.267 565 T C 1.729 176.541 174.700 0.186 0.000 1.039 565 T CA 1.284 63.488 62.100 0.173 0.000 1.142 565 T CB -0.608 68.303 68.868 0.071 0.000 0.866 565 T HN 0.465 nan 8.240 nan 0.000 0.444 566 A N 1.346 124.284 122.820 0.195 0.000 1.883 566 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 566 A C 2.020 179.725 177.584 0.202 0.000 1.186 566 A CA 1.707 53.858 52.037 0.190 0.000 0.624 566 A CB -1.013 18.126 19.000 0.231 0.000 0.822 566 A HN 0.509 nan 8.150 nan 0.000 0.444 567 F N -0.491 119.550 119.950 0.151 0.000 2.102 567 F HA -0.119 4.408 4.527 -0.001 0.000 0.298 567 F C 1.863 177.506 175.800 -0.261 0.000 1.105 567 F CA 1.572 59.499 58.000 -0.123 0.000 1.239 567 F CB -0.590 38.447 39.000 0.061 0.000 0.991 567 F HN 0.183 nan 8.300 nan 0.000 0.474 568 F N 0.857 120.588 119.950 -0.366 0.000 2.269 568 F HA -0.117 4.409 4.527 -0.001 0.000 0.301 568 F C 2.534 178.087 175.800 -0.412 0.000 1.082 568 F CA 1.846 59.551 58.000 -0.491 0.000 1.360 568 F CB -0.478 38.392 39.000 -0.217 0.000 1.041 568 F HN 0.005 nan 8.300 nan 0.000 0.512 569 K N -0.488 119.847 120.400 -0.107 0.000 2.202 569 K HA -0.009 4.311 4.320 -0.001 0.000 0.201 569 K C 1.397 177.960 176.600 -0.062 0.000 1.051 569 K CA 0.745 57.006 56.287 -0.043 0.000 0.977 569 K CB 0.129 32.673 32.500 0.073 0.000 0.792 569 K HN 0.155 nan 8.250 nan 0.000 0.469 570 L N 0.229 121.357 121.223 -0.158 0.000 2.590 570 L HA 0.280 4.619 4.340 -0.001 0.000 0.227 570 L C 1.924 178.676 176.870 -0.198 0.000 1.099 570 L CA 0.618 55.369 54.840 -0.149 0.000 0.872 570 L CB 0.191 42.153 42.059 -0.162 0.000 1.088 570 L HN 0.093 nan 8.230 nan 0.000 0.479 571 A N 0.036 122.518 122.820 -0.563 0.000 1.933 571 A HA 0.171 4.490 4.320 -0.001 0.000 0.218 571 A C 1.896 179.304 177.584 -0.293 0.000 1.175 571 A CA 1.408 53.048 52.037 -0.662 0.000 0.628 571 A CB -0.801 17.488 19.000 -1.186 0.000 0.814 571 A HN 0.559 nan 8.150 nan 0.000 0.444 572 G N -1.903 106.731 108.800 -0.277 0.000 2.137 572 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.237 572 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.237 572 G C 0.948 175.757 174.900 -0.152 0.000 1.002 572 G CA 0.890 45.908 45.100 -0.138 0.000 0.702 572 G HN 1.656 nan 8.290 nan 0.000 0.515 573 V N -2.939 116.801 119.914 -0.289 0.000 3.174 573 V HA 0.677 4.797 4.120 -0.001 0.000 0.254 573 V C 1.008 176.977 176.094 -0.208 0.000 1.120 573 V CA 1.084 63.224 62.300 -0.268 0.000 1.114 573 V CB 0.030 31.541 31.823 -0.520 0.000 0.756 573 V HN 0.451 nan 8.190 nan 0.000 0.467 574 L N 0.748 121.847 121.223 -0.206 0.000 2.424 574 L HA 0.551 4.890 4.340 -0.001 0.000 0.258 574 L C -2.704 174.128 176.870 -0.063 0.000 0.995 574 L CA -1.874 52.896 54.840 -0.116 0.000 0.821 574 L CB 2.696 44.690 42.059 -0.109 0.000 1.383 574 L HN -0.048 nan 8.230 nan 0.000 0.410 575 P HA 0.011 nan 4.420 nan 0.000 0.271 575 P C 0.764 178.109 177.300 0.075 0.000 1.233 575 P CA -0.102 63.020 63.100 0.038 0.000 0.764 575 P CB 0.608 32.330 31.700 0.037 0.000 0.825 576 F N 4.477 124.405 119.950 -0.037 0.000 2.060 576 F HA -0.371 4.155 4.527 -0.001 0.000 0.293 576 F C 1.971 177.758 175.800 -0.021 0.000 1.096 576 F CA 2.292 60.275 58.000 -0.028 0.000 1.241 576 F CB -0.419 38.569 39.000 -0.020 0.000 0.959 576 F HN 0.299 nan 8.300 nan 0.000 0.499 577 E N 0.480 120.863 120.200 0.305 0.000 2.048 577 E HA -0.321 4.028 4.350 -0.001 0.000 0.202 577 E C 2.251 178.829 176.600 -0.037 0.000 1.021 577 E CA 1.989 58.482 56.400 0.155 0.000 0.825 577 E CB -0.798 28.992 29.700 0.151 0.000 0.756 577 E HN 0.565 nan 8.360 nan 0.000 0.454 578 K N 0.554 120.939 120.400 -0.025 0.000 2.097 578 K HA -0.101 4.219 4.320 -0.001 0.000 0.206 578 K C 2.124 178.668 176.600 -0.093 0.000 1.049 578 K CA 1.141 57.397 56.287 -0.051 0.000 0.933 578 K CB -0.090 32.395 32.500 -0.025 0.000 0.717 578 K HN 0.087 nan 8.250 nan 0.000 0.442 579 A N 0.889 123.642 122.820 -0.111 0.000 1.842 579 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 579 A C 2.235 179.672 177.584 -0.245 0.000 1.206 579 A CA 2.156 54.138 52.037 -0.092 0.000 0.630 579 A CB -1.101 17.847 19.000 -0.087 0.000 0.839 579 A HN 0.159 nan 8.150 nan 0.000 0.447 580 V N 1.024 120.705 119.914 -0.389 0.000 2.380 580 V HA -0.303 3.817 4.120 -0.001 0.000 0.251 580 V C 2.437 178.367 176.094 -0.273 0.000 1.063 580 V CA 2.585 64.649 62.300 -0.393 0.000 1.055 580 V CB -1.012 30.505 31.823 -0.511 0.000 0.657 580 V HN 0.754 nan 8.190 nan 0.000 0.455 581 D N -0.008 120.265 120.400 -0.212 0.000 2.092 581 D HA -0.176 4.463 4.640 -0.001 0.000 0.193 581 D C 1.987 178.190 176.300 -0.163 0.000 0.994 581 D CA 1.465 55.374 54.000 -0.151 0.000 0.828 581 D CB -0.235 40.502 40.800 -0.105 0.000 0.963 581 D HN 0.256 nan 8.370 nan 0.000 0.450 582 L N 0.176 121.299 121.223 -0.168 0.000 2.012 582 L HA -0.105 4.235 4.340 -0.001 0.000 0.210 582 L C 2.505 179.223 176.870 -0.252 0.000 1.073 582 L CA 1.169 55.912 54.840 -0.162 0.000 0.748 582 L CB -0.986 41.011 42.059 -0.105 0.000 0.891 582 L HN 0.201 nan 8.230 nan 0.000 0.431 583 L N -0.560 120.400 121.223 -0.438 0.000 2.012 583 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 583 L C 2.452 179.172 176.870 -0.250 0.000 1.073 583 L CA 1.881 56.394 54.840 -0.544 0.000 0.748 583 L CB -0.670 40.949 42.059 -0.733 0.000 0.891 583 L HN 0.213 nan 8.230 nan 0.000 0.431 584 K N -0.512 119.779 120.400 -0.183 0.000 2.057 584 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 584 K C 2.112 178.706 176.600 -0.010 0.000 1.049 584 K CA 1.707 57.955 56.287 -0.064 0.000 0.931 584 K CB -0.209 32.247 32.500 -0.073 0.000 0.714 584 K HN 0.350 nan 8.250 nan 0.000 0.440 585 K N 0.749 121.093 120.400 -0.094 0.000 2.063 585 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 585 K C 2.373 178.972 176.600 -0.003 0.000 1.048 585 K CA 1.918 58.150 56.287 -0.091 0.000 0.928 585 K CB -0.175 32.265 32.500 -0.101 0.000 0.713 585 K HN 0.200 nan 8.250 nan 0.000 0.442 586 S N 0.941 116.628 115.700 -0.022 0.000 2.428 586 S HA -0.057 4.412 4.470 -0.001 0.000 0.230 586 S C 1.966 176.605 174.600 0.065 0.000 1.014 586 S CA 0.663 58.865 58.200 0.003 0.000 0.957 586 S CB -0.461 62.716 63.200 -0.037 0.000 0.784 586 S HN 0.201 nan 8.310 nan 0.000 0.499 587 I N 1.066 121.702 120.570 0.109 0.000 2.493 587 I HA -0.149 4.020 4.170 -0.001 0.000 0.254 587 I C 2.484 178.712 176.117 0.186 0.000 1.160 587 I CA 1.404 62.819 61.300 0.192 0.000 1.445 587 I CB -0.429 37.648 38.000 0.127 0.000 1.086 587 I HN 0.321 nan 8.210 nan 0.000 0.433 588 H N 0.390 119.482 119.070 0.035 0.000 2.372 588 H HA -0.061 4.495 4.556 -0.001 0.000 0.301 588 H C 2.179 177.519 175.328 0.021 0.000 1.065 588 H CA 1.126 57.190 56.048 0.026 0.000 1.364 588 H CB -0.045 29.715 29.762 -0.002 0.000 1.406 588 H HN 0.136 nan 8.280 nan 0.000 0.521 589 K N 0.858 121.336 120.400 0.131 0.000 1.977 589 K HA -0.083 4.236 4.320 -0.001 0.000 0.218 589 K C 1.134 177.740 176.600 0.011 0.000 1.051 589 K CA 1.106 57.422 56.287 0.048 0.000 0.953 589 K CB -0.272 32.239 32.500 0.018 0.000 0.727 589 K HN 0.236 nan 8.250 nan 0.000 0.445 590 A N -0.237 122.571 122.820 -0.020 0.000 2.325 590 A HA 0.258 4.578 4.320 -0.001 0.000 0.260 590 A C -0.207 177.343 177.584 -0.057 0.000 1.133 590 A CA 0.044 51.996 52.037 -0.142 0.000 0.801 590 A CB -0.354 18.473 19.000 -0.288 0.000 1.092 590 A HN 0.483 nan 8.150 nan 0.000 0.504 591 Y N -1.473 118.804 120.300 -0.039 0.000 2.849 591 Y HA -0.280 4.269 4.550 -0.001 0.000 0.459 591 Y C 2.158 178.020 175.900 -0.063 0.000 1.175 591 Y CA 1.625 59.692 58.100 -0.055 0.000 2.500 591 Y CB -1.662 36.755 38.460 -0.071 0.000 1.208 591 Y HN 2.164 nan 8.280 nan 0.000 0.638 592 G N -0.416 108.455 108.800 0.118 0.000 2.413 592 G HA2 -0.478 3.482 3.960 -0.001 0.000 0.259 592 G HA3 -0.478 3.482 3.960 -0.001 0.000 0.259 592 G C 1.203 176.108 174.900 0.008 0.000 1.003 592 G CA 2.230 47.331 45.100 0.003 0.000 0.629 592 G HN 1.030 nan 8.290 nan 0.000 0.548 593 K N 0.630 121.045 120.400 0.026 0.000 2.015 593 K HA -0.118 4.201 4.320 -0.001 0.000 0.220 593 K C 1.614 178.215 176.600 0.002 0.000 1.055 593 K CA 1.625 57.917 56.287 0.008 0.000 0.951 593 K CB -0.180 32.326 32.500 0.010 0.000 0.725 593 K HN 0.485 nan 8.250 nan 0.000 0.449 594 K N 0.678 121.082 120.400 0.008 0.000 2.399 594 K HA 0.229 4.549 4.320 -0.001 0.000 0.247 594 K C 0.025 176.614 176.600 -0.019 0.000 1.036 594 K CA -0.184 56.100 56.287 -0.006 0.000 0.977 594 K CB 0.873 33.372 32.500 -0.002 0.000 1.272 594 K HN 0.312 nan 8.250 nan 0.000 0.501 595 G N 1.227 110.013 108.800 -0.023 0.000 2.497 595 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.228 595 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.228 595 G C 0.529 175.400 174.900 -0.047 0.000 1.190 595 G CA -0.016 45.065 45.100 -0.031 0.000 0.857 595 G HN 0.743 nan 8.290 nan 0.000 0.526 596 E N 0.891 121.061 120.200 -0.050 0.000 2.396 596 E HA -0.138 4.211 4.350 -0.001 0.000 0.200 596 E C 2.218 178.769 176.600 -0.082 0.000 1.023 596 E CA 0.725 57.082 56.400 -0.071 0.000 0.857 596 E CB 0.024 29.693 29.700 -0.051 0.000 0.775 596 E HN 0.745 nan 8.360 nan 0.000 0.525 597 K N 0.540 120.900 120.400 -0.067 0.000 2.002 597 K HA -0.130 4.190 4.320 -0.001 0.000 0.209 597 K C 2.201 178.742 176.600 -0.099 0.000 1.048 597 K CA 1.242 57.488 56.287 -0.070 0.000 0.930 597 K CB -0.169 32.299 32.500 -0.054 0.000 0.714 597 K HN 0.068 nan 8.250 nan 0.000 0.438 598 I N 1.071 121.578 120.570 -0.104 0.000 2.248 598 I HA -0.301 3.868 4.170 -0.001 0.000 0.248 598 I C 2.221 178.203 176.117 -0.225 0.000 1.107 598 I CA 1.103 62.312 61.300 -0.153 0.000 1.373 598 I CB -0.237 37.694 38.000 -0.115 0.000 1.055 598 I HN 0.057 nan 8.210 nan 0.000 0.418 599 V N 0.778 120.575 119.914 -0.195 0.000 2.358 599 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 599 V C 2.501 178.473 176.094 -0.204 0.000 1.047 599 V CA 1.876 64.029 62.300 -0.246 0.000 1.035 599 V CB -0.665 30.967 31.823 -0.319 0.000 0.658 599 V HN 0.342 nan 8.190 nan 0.000 0.452 600 K N 0.608 120.920 120.400 -0.147 0.000 2.057 600 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 600 K C 2.033 178.574 176.600 -0.099 0.000 1.049 600 K CA 1.837 58.066 56.287 -0.098 0.000 0.931 600 K CB -0.511 31.947 32.500 -0.070 0.000 0.714 600 K HN 0.425 nan 8.250 nan 0.000 0.440 601 M N 0.186 119.714 119.600 -0.120 0.000 2.080 601 M HA -0.182 4.298 4.480 -0.001 0.000 0.260 601 M C 1.669 177.889 176.300 -0.134 0.000 1.068 601 M CA 2.077 57.307 55.300 -0.117 0.000 1.109 601 M CB -0.603 31.919 32.600 -0.130 0.000 1.342 601 M HN 0.141 nan 8.290 nan 0.000 0.405 602 N N -0.186 118.397 118.700 -0.196 0.000 2.188 602 N HA -0.090 4.650 4.740 -0.001 0.000 0.184 602 N C 1.636 177.078 175.510 -0.113 0.000 1.018 602 N CA 1.664 54.595 53.050 -0.198 0.000 0.858 602 N CB -0.417 37.870 38.487 -0.333 0.000 0.989 602 N HN 0.259 nan 8.380 nan 0.000 0.426 603 T N 0.735 115.233 114.554 -0.094 0.000 2.708 603 T HA -0.105 4.244 4.350 -0.001 0.000 0.266 603 T C 0.965 175.643 174.700 -0.037 0.000 1.037 603 T CA 1.305 63.380 62.100 -0.042 0.000 1.146 603 T CB -0.356 68.504 68.868 -0.012 0.000 0.865 603 T HN 0.207 nan 8.240 nan 0.000 0.435 604 D N 1.292 121.666 120.400 -0.044 0.000 2.144 604 D HA 0.005 4.644 4.640 -0.001 0.000 0.199 604 D C 2.326 178.608 176.300 -0.031 0.000 0.984 604 D CA 1.127 55.107 54.000 -0.032 0.000 0.834 604 D CB -0.534 40.245 40.800 -0.036 0.000 0.955 604 D HN 0.390 nan 8.370 nan 0.000 0.465 605 A N 0.595 123.387 122.820 -0.046 0.000 1.883 605 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 605 A C 2.523 180.093 177.584 -0.023 0.000 1.186 605 A CA 1.533 53.547 52.037 -0.039 0.000 0.624 605 A CB -0.821 18.145 19.000 -0.057 0.000 0.822 605 A HN 0.157 nan 8.150 nan 0.000 0.444 606 V N 0.560 120.457 119.914 -0.029 0.000 2.295 606 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 606 V C 2.245 178.335 176.094 -0.007 0.000 1.049 606 V CA 2.312 64.597 62.300 -0.025 0.000 1.024 606 V CB -0.904 30.887 31.823 -0.052 0.000 0.648 606 V HN 0.492 nan 8.190 nan 0.000 0.447 607 D N -0.392 120.005 120.400 -0.004 0.000 2.092 607 D HA -0.209 4.431 4.640 -0.001 0.000 0.193 607 D C 2.202 178.519 176.300 0.029 0.000 0.994 607 D CA 1.675 55.685 54.000 0.018 0.000 0.828 607 D CB -0.334 40.473 40.800 0.011 0.000 0.963 607 D HN 0.434 nan 8.370 nan 0.000 0.450 608 Q N 0.814 120.622 119.800 0.014 0.000 2.124 608 Q HA -0.076 4.264 4.340 -0.001 0.000 0.202 608 Q C 1.853 177.869 176.000 0.028 0.000 0.977 608 Q CA 1.986 57.799 55.803 0.016 0.000 0.850 608 Q CB -0.487 28.252 28.738 0.002 0.000 0.901 608 Q HN 0.203 nan 8.270 nan 0.000 0.429 609 A N -0.560 122.276 122.820 0.026 0.000 1.858 609 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 609 A C 2.298 179.924 177.584 0.070 0.000 1.190 609 A CA 1.684 53.745 52.037 0.040 0.000 0.617 609 A CB -1.018 18.002 19.000 0.033 0.000 0.827 609 A HN 0.265 nan 8.150 nan 0.000 0.443 610 V N 0.139 120.103 119.914 0.084 0.000 2.324 610 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 610 V C 2.744 178.923 176.094 0.141 0.000 1.060 610 V CA 2.587 64.976 62.300 0.150 0.000 1.042 610 V CB -1.358 30.582 31.823 0.195 0.000 0.650 610 V HN 0.653 nan 8.190 nan 0.000 0.450 611 T N -0.603 114.008 114.554 0.095 0.000 2.737 611 T HA -0.145 4.204 4.350 -0.001 0.000 0.265 611 T C 2.056 176.795 174.700 0.064 0.000 1.038 611 T CA 1.758 63.900 62.100 0.069 0.000 1.144 611 T CB -0.271 68.624 68.868 0.046 0.000 0.866 611 T HN 0.499 nan 8.240 nan 0.000 0.434 612 S N 1.070 116.806 115.700 0.060 0.000 2.447 612 S HA 0.116 4.586 4.470 -0.001 0.000 0.233 612 S C 0.911 175.563 174.600 0.087 0.000 1.006 612 S CA 0.284 58.517 58.200 0.056 0.000 0.957 612 S CB -0.246 62.977 63.200 0.039 0.000 0.773 612 S HN 0.224 nan 8.310 nan 0.000 0.507 613 L N 3.437 124.733 121.223 0.121 0.000 2.530 613 L HA 0.175 4.514 4.340 -0.001 0.000 0.247 613 L C 0.037 177.077 176.870 0.284 0.000 1.416 613 L CA 0.907 55.867 54.840 0.201 0.000 1.202 613 L CB -1.386 40.774 42.059 0.169 0.000 1.415 613 L HN 0.277 nan 8.230 nan 0.000 0.443 614 Q N 0.828 120.739 119.800 0.184 0.000 2.282 614 Q HA 0.203 4.542 4.340 -0.001 0.000 0.260 614 Q C -0.024 175.897 176.000 -0.132 0.000 0.964 614 Q CA -0.501 55.347 55.803 0.075 0.000 0.880 614 Q CB 2.015 30.755 28.738 0.003 0.000 1.286 614 Q HN 0.351 nan 8.270 nan 0.000 0.445 615 E N 2.463 122.428 120.200 -0.393 0.000 2.606 615 E HA -0.088 4.262 4.350 -0.001 0.000 0.248 615 E C -0.965 175.412 176.600 -0.372 0.000 1.005 615 E CA -0.015 55.912 56.400 -0.790 0.000 0.946 615 E CB 0.216 29.584 29.700 -0.553 0.000 0.928 615 E HN 0.359 nan 8.360 nan 0.000 0.494 616 F N 5.772 125.451 119.950 -0.451 0.000 2.494 616 F HA 0.115 4.642 4.527 -0.001 0.000 0.369 616 F C 0.117 175.853 175.800 -0.108 0.000 1.098 616 F CA -0.272 57.593 58.000 -0.225 0.000 1.154 616 F CB 0.390 39.212 39.000 -0.297 0.000 1.103 616 F HN 0.210 nan 8.300 nan 0.000 0.549 617 K N 7.305 127.385 120.400 -0.532 0.000 2.276 617 K HA 0.133 4.453 4.320 -0.001 0.000 0.285 617 K C -1.025 175.231 176.600 -0.573 0.000 1.062 617 K CA -0.182 55.786 56.287 -0.533 0.000 0.918 617 K CB 0.701 32.928 32.500 -0.454 0.000 1.055 617 K HN 0.661 nan 8.250 nan 0.000 0.477 618 Y N 1.447 121.537 120.300 -0.350 0.000 2.509 618 Y HA 0.625 5.174 4.550 -0.001 0.000 0.341 618 Y C -2.260 173.305 175.900 -0.559 0.000 1.038 618 Y CA -3.172 54.542 58.100 -0.643 0.000 1.089 618 Y CB -0.112 37.623 38.460 -1.208 0.000 1.241 618 Y HN 0.409 nan 8.280 nan 0.000 0.468 619 P HA 0.060 nan 4.420 nan 0.000 0.274 619 P C -0.377 176.894 177.300 -0.048 0.000 1.231 619 P CA -0.060 62.924 63.100 -0.192 0.000 0.790 619 P CB 1.577 33.231 31.700 -0.076 0.000 0.951 620 D N 0.636 121.048 120.400 0.021 0.000 2.350 620 D HA -0.133 4.506 4.640 -0.001 0.000 0.216 620 D C 1.640 178.033 176.300 0.156 0.000 0.968 620 D CA 1.160 55.220 54.000 0.101 0.000 0.894 620 D CB -0.084 40.749 40.800 0.056 0.000 0.909 620 D HN 0.310 nan 8.370 nan 0.000 0.520 621 S N -1.018 114.782 115.700 0.166 0.000 2.500 621 S HA -0.144 4.325 4.470 -0.001 0.000 0.239 621 S C 1.543 176.338 174.600 0.326 0.000 0.989 621 S CA 0.113 58.438 58.200 0.208 0.000 0.951 621 S CB -0.702 62.615 63.200 0.196 0.000 0.759 621 S HN 0.344 nan 8.310 nan 0.000 0.523 622 W N 2.399 123.743 121.300 0.074 0.000 2.525 622 W HA 0.276 4.935 4.660 -0.001 0.000 0.259 622 W C 2.025 178.545 176.519 0.001 0.000 1.253 622 W CA -0.522 56.840 57.345 0.029 0.000 1.262 622 W CB -0.422 29.047 29.460 0.015 0.000 1.122 622 W HN 0.215 nan 8.180 nan 0.000 0.607 623 K N 0.564 121.110 120.400 0.243 0.000 2.173 623 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 623 K C -0.176 176.471 176.600 0.077 0.000 1.046 623 K CA 1.854 58.222 56.287 0.135 0.000 0.929 623 K CB -0.616 31.950 32.500 0.110 0.000 0.720 623 K HN 0.392 nan 8.250 nan 0.000 0.453 624 D N -1.992 118.452 120.400 0.073 0.000 2.968 624 D HA 0.268 4.907 4.640 -0.001 0.000 0.301 624 D C -0.699 175.604 176.300 0.004 0.000 1.226 624 D CA -0.370 53.645 54.000 0.025 0.000 0.746 624 D CB 0.203 41.018 40.800 0.024 0.000 1.278 624 D HN 0.039 nan 8.370 nan 0.000 0.544 625 A N 1.904 124.704 122.820 -0.033 0.000 2.466 625 A HA 0.475 4.794 4.320 -0.001 0.000 0.238 625 A C -1.825 175.711 177.584 -0.081 0.000 1.074 625 A CA -0.920 51.065 52.037 -0.086 0.000 0.774 625 A CB -0.093 18.773 19.000 -0.222 0.000 1.015 625 A HN 0.387 nan 8.150 nan 0.000 0.498 626 P HA 0.269 nan 4.420 nan 0.000 0.270 626 P C -0.190 177.059 177.300 -0.085 0.000 1.242 626 P CA 0.281 63.342 63.100 -0.066 0.000 0.768 626 P CB 0.528 32.195 31.700 -0.055 0.000 0.820 627 A N 4.372 127.148 122.820 -0.074 0.000 2.511 627 A HA 0.146 4.465 4.320 -0.001 0.000 0.242 627 A C 0.897 178.436 177.584 -0.075 0.000 1.069 627 A CA -0.329 51.660 52.037 -0.079 0.000 0.763 627 A CB -0.182 18.779 19.000 -0.064 0.000 1.001 627 A HN 0.676 nan 8.150 nan 0.000 0.498 628 E N 1.636 121.786 120.200 -0.083 0.000 2.385 628 E HA 0.472 4.821 4.350 -0.001 0.000 0.254 628 E C 0.457 177.020 176.600 -0.062 0.000 1.228 628 E CA -0.134 56.220 56.400 -0.077 0.000 0.956 628 E CB 0.262 29.908 29.700 -0.089 0.000 1.116 628 E HN 0.664 nan 8.360 nan 0.000 0.507 629 T N -1.880 112.641 114.554 -0.056 0.000 2.973 629 T HA 0.309 4.658 4.350 -0.001 0.000 0.308 629 T C -0.116 174.557 174.700 -0.044 0.000 1.177 629 T CA -0.911 61.161 62.100 -0.046 0.000 0.938 629 T CB 0.280 69.124 68.868 -0.040 0.000 1.791 629 T HN 0.581 nan 8.240 nan 0.000 0.581 630 K N 0.164 120.542 120.400 -0.037 0.000 2.473 630 K HA 0.703 5.023 4.320 -0.001 0.000 0.246 630 K C -0.190 176.394 176.600 -0.027 0.000 1.011 630 K CA -0.962 55.306 56.287 -0.032 0.000 0.984 630 K CB 1.288 33.772 32.500 -0.028 0.000 1.250 630 K HN 0.572 nan 8.250 nan 0.000 0.454 631 A N 3.011 125.814 122.820 -0.028 0.000 2.476 631 A HA 0.055 4.375 4.320 -0.001 0.000 0.263 631 A C -0.313 177.262 177.584 -0.014 0.000 1.342 631 A CA -0.439 51.584 52.037 -0.023 0.000 0.926 631 A CB -0.572 18.411 19.000 -0.028 0.000 1.019 631 A HN 0.801 nan 8.150 nan 0.000 0.515 632 E N 0.910 121.104 120.200 -0.010 0.000 2.265 632 E HA 0.443 4.792 4.350 -0.001 0.000 0.272 632 E C -2.446 174.154 176.600 -0.000 0.000 1.067 632 E CA -1.543 54.858 56.400 0.001 0.000 0.900 632 E CB -0.601 29.102 29.700 0.005 0.000 1.017 632 E HN 0.222 nan 8.360 nan 0.000 0.431 633 P HA 0.033 nan 4.420 nan 0.000 0.271 633 P C -0.520 176.771 177.300 -0.014 0.000 1.244 633 P CA -0.616 62.484 63.100 -0.000 0.000 0.793 633 P CB 0.372 32.077 31.700 0.008 0.000 0.984 634 M N 1.269 120.861 119.600 -0.014 0.000 2.245 634 M HA 0.245 4.725 4.480 -0.001 0.000 0.344 634 M C -0.458 175.787 176.300 -0.091 0.000 1.170 634 M CA 1.436 56.715 55.300 -0.035 0.000 1.135 634 M CB -0.454 32.138 32.600 -0.012 0.000 1.574 634 M HN 0.408 nan 8.290 nan 0.000 0.452 635 T N 2.484 116.926 114.554 -0.186 0.000 2.665 635 T HA 0.374 4.723 4.350 -0.001 0.000 0.303 635 T C -0.664 173.783 174.700 -0.422 0.000 1.334 635 T CA -1.042 60.745 62.100 -0.521 0.000 1.011 635 T CB 0.803 69.301 68.868 -0.617 0.000 1.573 635 T HN 0.632 nan 8.240 nan 0.000 0.492 636 N N 1.209 119.519 118.700 -0.650 0.000 2.415 636 N HA 0.084 4.823 4.740 -0.001 0.000 0.248 636 N C 1.002 176.486 175.510 -0.042 0.000 1.271 636 N CA 0.132 53.060 53.050 -0.204 0.000 0.913 636 N CB 1.092 39.550 38.487 -0.048 0.000 1.129 636 N HN 0.701 nan 8.380 nan 0.000 0.444 637 E N 0.816 121.033 120.200 0.030 0.000 2.107 637 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 637 E C 1.486 178.126 176.600 0.066 0.000 0.982 637 E CA 1.048 57.468 56.400 0.033 0.000 0.809 637 E CB -0.223 29.501 29.700 0.039 0.000 0.756 637 E HN 0.594 nan 8.360 nan 0.000 0.459 638 F N -0.405 119.538 119.950 -0.013 0.000 2.186 638 F HA -0.085 4.442 4.527 -0.001 0.000 0.299 638 F C 1.865 177.676 175.800 0.019 0.000 1.090 638 F CA 1.247 59.240 58.000 -0.010 0.000 1.307 638 F CB -0.390 38.623 39.000 0.022 0.000 1.019 638 F HN 0.147 nan 8.300 nan 0.000 0.489 639 F N 1.878 121.813 119.950 -0.025 0.000 2.146 639 F HA -0.158 4.368 4.527 -0.001 0.000 0.298 639 F C 2.513 178.216 175.800 -0.161 0.000 1.096 639 F CA 2.136 60.078 58.000 -0.097 0.000 1.275 639 F CB -0.551 38.343 39.000 -0.177 0.000 1.008 639 F HN 0.025 nan 8.300 nan 0.000 0.480 640 K N -0.726 119.664 120.400 -0.017 0.000 2.155 640 K HA -0.080 4.239 4.320 -0.001 0.000 0.203 640 K C 1.317 177.811 176.600 -0.177 0.000 1.052 640 K CA 1.569 57.808 56.287 -0.080 0.000 0.948 640 K CB -0.413 32.078 32.500 -0.015 0.000 0.728 640 K HN 0.214 nan 8.250 nan 0.000 0.448 641 N N 0.366 118.939 118.700 -0.212 0.000 2.392 641 N HA 0.020 4.760 4.740 -0.001 0.000 0.177 641 N C 1.341 176.633 175.510 -0.364 0.000 1.066 641 N CA 0.684 53.591 53.050 -0.239 0.000 0.895 641 N CB 0.874 39.251 38.487 -0.183 0.000 0.988 641 N HN 0.099 nan 8.380 nan 0.000 0.457 642 V N -0.514 119.067 119.914 -0.555 0.000 3.161 642 V HA 0.049 4.169 4.120 -0.001 0.000 0.221 642 V C 2.026 177.832 176.094 -0.479 0.000 1.296 642 V CA 0.361 62.277 62.300 -0.640 0.000 1.306 642 V CB -0.249 30.872 31.823 -1.170 0.000 1.171 642 V HN 0.011 nan 8.190 nan 0.000 0.513 643 V N 0.804 120.377 119.914 -0.567 0.000 2.358 643 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 643 V C 2.420 178.231 176.094 -0.470 0.000 1.047 643 V CA 2.960 65.044 62.300 -0.361 0.000 1.035 643 V CB -0.375 31.337 31.823 -0.185 0.000 0.658 643 V HN 0.542 nan 8.190 nan 0.000 0.452 644 K N 1.359 121.284 120.400 -0.792 0.000 2.009 644 K HA -0.048 4.271 4.320 -0.001 0.000 0.210 644 K C 0.072 176.526 176.600 -0.242 0.000 1.049 644 K CA 2.464 58.406 56.287 -0.576 0.000 0.929 644 K CB -1.739 30.447 32.500 -0.524 0.000 0.714 644 K HN 0.453 nan 8.250 nan 0.000 0.440 645 P HA -0.139 nan 4.420 nan 0.000 0.216 645 P C 1.133 178.406 177.300 -0.045 0.000 1.153 645 P CA 1.454 64.491 63.100 -0.105 0.000 0.858 645 P CB 0.002 31.630 31.700 -0.121 0.000 0.789 646 I N -1.573 118.965 120.570 -0.054 0.000 2.252 646 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 646 I C 2.174 178.314 176.117 0.039 0.000 1.102 646 I CA 1.248 62.559 61.300 0.019 0.000 1.385 646 I CB -0.603 37.433 38.000 0.060 0.000 1.064 646 I HN -0.105 nan 8.210 nan 0.000 0.414 647 L N 0.343 121.577 121.223 0.018 0.000 2.191 647 L HA -0.151 4.188 4.340 -0.001 0.000 0.212 647 L C 2.236 179.218 176.870 0.188 0.000 1.103 647 L CA 1.589 56.483 54.840 0.090 0.000 0.769 647 L CB -0.859 41.241 42.059 0.068 0.000 0.908 647 L HN 0.421 nan 8.230 nan 0.000 0.438 648 T N -3.973 110.669 114.554 0.146 0.000 3.235 648 T HA 0.057 4.406 4.350 -0.001 0.000 0.251 648 T C 0.626 175.477 174.700 0.252 0.000 1.060 648 T CA -0.357 61.895 62.100 0.254 0.000 0.949 648 T CB 0.181 69.113 68.868 0.107 0.000 1.020 648 T HN 0.280 nan 8.240 nan 0.000 0.564 649 Q N 0.245 120.136 119.800 0.151 0.000 2.487 649 Q HA -0.148 4.192 4.340 -0.001 0.000 0.279 649 Q C 0.025 176.068 176.000 0.072 0.000 1.228 649 Q CA 0.683 56.533 55.803 0.079 0.000 0.873 649 Q CB -2.007 26.768 28.738 0.061 0.000 1.260 649 Q HN 0.632 nan 8.270 nan 0.000 0.471 650 Q N -1.952 117.883 119.800 0.058 0.000 2.171 650 Q HA 0.230 4.569 4.340 -0.001 0.000 0.218 650 Q C 1.698 177.721 176.000 0.038 0.000 0.822 650 Q CA 0.738 56.566 55.803 0.042 0.000 0.987 650 Q CB 0.646 29.400 28.738 0.027 0.000 1.144 650 Q HN 0.440 nan 8.270 nan 0.000 0.494 651 G N 1.686 110.515 108.800 0.048 0.000 2.469 651 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.220 651 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.220 651 G C 1.077 176.034 174.900 0.095 0.000 1.136 651 G CA 0.860 46.011 45.100 0.085 0.000 0.759 651 G HN 0.275 nan 8.290 nan 0.000 0.562 652 D N 0.427 120.859 120.400 0.053 0.000 2.265 652 D HA -0.057 4.582 4.640 -0.001 0.000 0.208 652 D C 2.223 178.557 176.300 0.056 0.000 0.977 652 D CA 0.766 54.794 54.000 0.045 0.000 0.871 652 D CB -0.021 40.791 40.800 0.020 0.000 0.925 652 D HN 0.365 nan 8.370 nan 0.000 0.485 653 K N 0.091 120.520 120.400 0.049 0.000 2.459 653 K HA 0.096 4.415 4.320 -0.001 0.000 0.193 653 K C 0.692 177.318 176.600 0.044 0.000 1.030 653 K CA -0.044 56.265 56.287 0.037 0.000 1.026 653 K CB 0.465 32.976 32.500 0.018 0.000 0.809 653 K HN 0.122 nan 8.250 nan 0.000 0.504 654 L N 4.124 125.396 121.223 0.081 0.000 2.360 654 L HA 0.128 4.467 4.340 -0.001 0.000 0.276 654 L C -1.831 175.133 176.870 0.156 0.000 1.121 654 L CA -1.750 53.137 54.840 0.080 0.000 0.845 654 L CB 0.153 42.277 42.059 0.108 0.000 1.143 654 L HN -0.044 nan 8.230 nan 0.000 0.452 655 P HA 0.068 nan 4.420 nan 0.000 0.276 655 P C 0.944 178.357 177.300 0.188 0.000 1.261 655 P CA -0.512 62.649 63.100 0.101 0.000 0.800 655 P CB 1.346 33.067 31.700 0.035 0.000 1.066 656 V N 0.884 120.901 119.914 0.171 0.000 2.469 656 V HA -0.245 3.874 4.120 -0.001 0.000 0.251 656 V C 2.681 178.892 176.094 0.194 0.000 1.064 656 V CA 2.790 65.220 62.300 0.216 0.000 1.066 656 V CB -1.721 30.166 31.823 0.105 0.000 0.667 656 V HN 0.773 nan 8.190 nan 0.000 0.461 657 S N 0.918 116.665 115.700 0.078 0.000 2.469 657 S HA -0.066 4.403 4.470 -0.001 0.000 0.238 657 S C 1.865 176.430 174.600 -0.058 0.000 0.998 657 S CA 1.079 59.291 58.200 0.019 0.000 0.957 657 S CB -0.396 62.801 63.200 -0.005 0.000 0.764 657 S HN 0.599 nan 8.310 nan 0.000 0.514 658 A N 0.078 122.790 122.820 -0.180 0.000 2.206 658 A HA 0.440 4.759 4.320 -0.001 0.000 0.211 658 A C 0.304 177.478 177.584 -0.683 0.000 1.158 658 A CA 0.010 51.753 52.037 -0.490 0.000 0.761 658 A CB -0.407 18.152 19.000 -0.736 0.000 0.801 658 A HN 0.519 nan 8.150 nan 0.000 0.473 659 F N -0.309 119.639 119.950 -0.003 0.000 2.556 659 F HA 0.446 4.973 4.527 -0.001 0.000 0.327 659 F C 0.325 176.123 175.800 -0.003 0.000 1.059 659 F CA -1.161 56.838 58.000 -0.002 0.000 0.953 659 F CB 0.934 39.950 39.000 0.027 0.000 1.227 659 F HN -0.085 nan 8.300 nan 0.000 0.478 660 E N 0.745 121.058 120.200 0.188 0.000 2.316 660 E HA 0.212 4.561 4.350 -0.001 0.000 0.275 660 E C 0.723 177.398 176.600 0.126 0.000 1.029 660 E CA 0.037 56.504 56.400 0.113 0.000 0.871 660 E CB 1.511 31.261 29.700 0.083 0.000 1.022 660 E HN 0.779 nan 8.360 nan 0.000 0.418 661 A N 3.847 126.716 122.820 0.082 0.000 1.948 661 A HA -0.237 4.082 4.320 -0.001 0.000 0.220 661 A C 1.353 178.983 177.584 0.076 0.000 1.177 661 A CA 2.147 54.220 52.037 0.059 0.000 0.636 661 A CB -0.290 18.736 19.000 0.042 0.000 0.815 661 A HN 0.605 nan 8.150 nan 0.000 0.449 662 D N -2.720 117.743 120.400 0.104 0.000 2.328 662 D HA 0.306 4.945 4.640 -0.001 0.000 0.221 662 D C 1.127 177.551 176.300 0.207 0.000 1.072 662 D CA 0.855 54.936 54.000 0.135 0.000 0.850 662 D CB -0.553 40.314 40.800 0.111 0.000 0.922 662 D HN 0.814 nan 8.370 nan 0.000 0.516 663 G N 1.249 110.199 108.800 0.249 0.000 2.179 663 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.260 663 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.260 663 G C 0.379 175.513 174.900 0.390 0.000 0.977 663 G CA 0.182 45.508 45.100 0.377 0.000 0.641 663 G HN 0.768 nan 8.290 nan 0.000 0.533 664 R N -1.003 119.663 120.500 0.277 0.000 2.694 664 R HA 0.635 4.974 4.340 -0.001 0.000 0.268 664 R C -0.678 175.801 176.300 0.299 0.000 1.061 664 R CA -0.082 56.183 56.100 0.274 0.000 1.133 664 R CB 0.442 30.837 30.300 0.158 0.000 1.020 664 R HN 0.104 nan 8.270 nan 0.000 0.475 665 F N 0.881 120.891 119.950 0.100 0.000 2.577 665 F HA 0.501 5.027 4.527 -0.001 0.000 0.318 665 F C -1.837 173.938 175.800 -0.042 0.000 1.065 665 F CA -2.397 55.637 58.000 0.058 0.000 0.929 665 F CB 1.966 41.058 39.000 0.153 0.000 1.237 665 F HN 0.599 nan 8.300 nan 0.000 0.468 666 P HA 0.354 nan 4.420 nan 0.000 0.279 666 P C -0.993 176.353 177.300 0.076 0.000 1.252 666 P CA -0.394 62.656 63.100 -0.083 0.000 0.811 666 P CB 1.209 32.719 31.700 -0.317 0.000 1.035 667 L N 0.321 121.585 121.223 0.070 0.000 2.475 667 L HA 0.381 4.721 4.340 -0.001 0.000 0.253 667 L C 1.845 178.789 176.870 0.125 0.000 1.198 667 L CA 1.398 56.300 54.840 0.103 0.000 0.814 667 L CB -0.762 41.346 42.059 0.082 0.000 1.134 667 L HN 0.854 nan 8.230 nan 0.000 0.478 668 G N -0.730 108.139 108.800 0.116 0.000 2.166 668 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.260 668 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.260 668 G C 0.942 175.951 174.900 0.182 0.000 0.986 668 G CA 0.965 46.124 45.100 0.098 0.000 0.683 668 G HN 0.868 nan 8.290 nan 0.000 0.527 669 T N -1.532 113.210 114.554 0.314 0.000 3.007 669 T HA 0.041 4.391 4.350 -0.001 0.000 0.270 669 T C 2.509 177.476 174.700 0.445 0.000 1.107 669 T CA 1.889 64.301 62.100 0.521 0.000 1.118 669 T CB -0.329 68.916 68.868 0.629 0.000 0.889 669 T HN 1.326 nan 8.240 nan 0.000 0.506 670 S N 0.760 116.621 115.700 0.268 0.000 2.561 670 S HA -0.034 4.436 4.470 -0.001 0.000 0.225 670 S C 1.970 176.686 174.600 0.194 0.000 0.977 670 S CA -0.065 58.292 58.200 0.261 0.000 0.926 670 S CB -0.431 62.910 63.200 0.235 0.000 0.769 670 S HN 0.395 nan 8.310 nan 0.000 0.533 671 Q N 0.520 120.288 119.800 -0.053 0.000 2.226 671 Q HA 0.009 4.349 4.340 -0.001 0.000 0.204 671 Q C 0.795 176.412 176.000 -0.638 0.000 0.975 671 Q CA 1.174 56.773 55.803 -0.339 0.000 0.866 671 Q CB -0.426 27.846 28.738 -0.777 0.000 0.915 671 Q HN 0.845 nan 8.270 nan 0.000 0.440 672 F N -0.381 119.455 119.950 -0.191 0.000 2.678 672 F HA 0.201 4.728 4.527 -0.001 0.000 0.305 672 F C 1.826 177.446 175.800 -0.300 0.000 1.090 672 F CA -0.263 57.443 58.000 -0.491 0.000 1.272 672 F CB 0.218 38.452 39.000 -1.277 0.000 1.060 672 F HN -0.007 nan 8.300 nan 0.000 0.576 673 E N 0.915 121.182 120.200 0.112 0.000 2.047 673 E HA -0.124 4.225 4.350 -0.001 0.000 0.191 673 E C 0.424 177.079 176.600 0.092 0.000 0.987 673 E CA 0.566 57.106 56.400 0.232 0.000 0.799 673 E CB -0.042 29.808 29.700 0.249 0.000 0.752 673 E HN 0.011 nan 8.360 nan 0.000 0.449 674 K N 0.824 121.194 120.400 -0.049 0.000 3.777 674 K HA -0.269 4.051 4.320 -0.001 0.000 0.276 674 K C 0.474 177.064 176.600 -0.017 0.000 0.877 674 K CA 0.545 56.771 56.287 -0.102 0.000 0.724 674 K CB -1.082 31.360 32.500 -0.096 0.000 1.589 674 K HN 0.311 nan 8.250 nan 0.000 0.444 675 R N 0.179 120.684 120.500 0.008 0.000 2.096 675 R HA -0.103 4.237 4.340 -0.001 0.000 0.235 675 R C 1.399 177.723 176.300 0.040 0.000 1.127 675 R CA 1.019 57.152 56.100 0.055 0.000 0.968 675 R CB -0.062 30.286 30.300 0.080 0.000 0.861 675 R HN 0.674 nan 8.270 nan 0.000 0.440 676 G N 0.992 109.792 108.800 -0.001 0.000 2.338 676 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.296 676 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.296 676 G C 0.500 175.416 174.900 0.025 0.000 1.040 676 G CA 0.413 45.514 45.100 0.002 0.000 1.004 676 G HN 0.364 nan 8.290 nan 0.000 0.509 677 V N -3.263 116.664 119.914 0.021 0.000 3.621 677 V HA 0.741 4.860 4.120 -0.001 0.000 0.285 677 V C 1.419 177.522 176.094 0.015 0.000 1.346 677 V CA 0.662 62.985 62.300 0.038 0.000 1.104 677 V CB -0.045 31.815 31.823 0.062 0.000 0.913 677 V HN 1.624 nan 8.190 nan 0.000 0.432 678 A N 0.304 123.120 122.820 -0.007 0.000 2.425 678 A HA 0.646 4.966 4.320 -0.001 0.000 0.249 678 A C 1.019 178.605 177.584 0.004 0.000 1.084 678 A CA -0.137 51.893 52.037 -0.012 0.000 0.781 678 A CB 0.364 19.349 19.000 -0.025 0.000 1.019 678 A HN 0.373 nan 8.150 nan 0.000 0.490 679 I N 0.685 121.258 120.570 0.006 0.000 2.494 679 I HA -0.008 4.161 4.170 -0.001 0.000 0.250 679 I C 0.281 176.404 176.117 0.011 0.000 1.112 679 I CA 0.594 61.900 61.300 0.010 0.000 1.438 679 I CB -0.035 37.971 38.000 0.010 0.000 1.111 679 I HN 0.566 nan 8.210 nan 0.000 0.431 680 N N 0.584 119.289 118.700 0.008 0.000 2.238 680 N HA 0.492 5.231 4.740 -0.001 0.000 0.302 680 N C -0.992 174.524 175.510 0.009 0.000 1.072 680 N CA -0.228 52.829 53.050 0.011 0.000 0.792 680 N CB 3.155 41.650 38.487 0.013 0.000 1.425 680 N HN -0.115 nan 8.380 nan 0.000 0.478 681 V N -1.252 118.670 119.914 0.014 0.000 3.102 681 V HA 0.768 4.888 4.120 -0.001 0.000 0.312 681 V C -2.683 173.427 176.094 0.028 0.000 1.135 681 V CA -2.282 60.027 62.300 0.015 0.000 1.022 681 V CB 2.578 34.407 31.823 0.011 0.000 1.056 681 V HN 0.456 nan 8.190 nan 0.000 0.436 682 P HA 0.272 nan 4.420 nan 0.000 0.277 682 P C -1.374 175.969 177.300 0.071 0.000 1.240 682 P CA -0.109 63.023 63.100 0.053 0.000 0.798 682 P CB 1.158 32.893 31.700 0.057 0.000 0.979 683 Q N 2.151 122.005 119.800 0.089 0.000 2.330 683 Q HA 0.275 4.615 4.340 -0.001 0.000 0.269 683 Q C -1.428 174.678 176.000 0.177 0.000 1.022 683 Q CA -0.811 55.058 55.803 0.110 0.000 0.796 683 Q CB 1.101 29.880 28.738 0.068 0.000 1.271 683 Q HN 0.404 nan 8.270 nan 0.000 0.450 684 W N 4.617 125.910 121.300 -0.011 0.000 2.238 684 W HA 0.361 5.020 4.660 -0.001 0.000 0.321 684 W C -1.142 175.372 176.519 -0.008 0.000 1.293 684 W CA -0.331 57.007 57.345 -0.012 0.000 1.204 684 W CB 0.894 30.333 29.460 -0.034 0.000 1.167 684 W HN 0.377 nan 8.180 nan 0.000 0.553 685 V N 10.170 129.850 119.914 -0.391 0.000 2.266 685 V HA 0.123 4.243 4.120 -0.001 0.000 0.266 685 V C -1.079 174.527 176.094 -0.813 0.000 1.036 685 V CA -1.249 60.780 62.300 -0.452 0.000 0.828 685 V CB 1.039 32.742 31.823 -0.199 0.000 1.081 685 V HN 0.540 nan 8.190 nan 0.000 0.449 686 P HA -0.207 nan 4.420 nan 0.000 0.217 686 P C 0.993 177.995 177.300 -0.497 0.000 1.148 686 P CA 1.393 63.731 63.100 -1.270 0.000 0.834 686 P CB 0.592 31.581 31.700 -1.185 0.000 0.783 687 E N -0.008 119.986 120.200 -0.344 0.000 2.268 687 E HA -0.121 4.228 4.350 -0.001 0.000 0.195 687 E C 1.494 178.019 176.600 -0.126 0.000 0.995 687 E CA 1.162 57.455 56.400 -0.179 0.000 0.836 687 E CB -0.807 28.810 29.700 -0.137 0.000 0.763 687 E HN 0.543 nan 8.360 nan 0.000 0.491 688 N N -0.873 117.740 118.700 -0.144 0.000 2.220 688 N HA 0.084 4.823 4.740 -0.001 0.000 0.195 688 N C -0.300 175.200 175.510 -0.017 0.000 1.123 688 N CA -0.356 52.653 53.050 -0.069 0.000 0.874 688 N CB 0.524 38.975 38.487 -0.059 0.000 0.995 688 N HN 0.037 nan 8.380 nan 0.000 0.498 689 C N 2.099 121.393 119.300 -0.010 0.000 2.632 689 C HA 0.202 4.661 4.460 -0.001 0.000 0.415 689 C C 1.704 176.774 174.990 0.133 0.000 1.332 689 C CA -0.573 58.545 59.018 0.167 0.000 1.874 689 C CB -0.941 27.070 27.740 0.451 0.000 2.596 689 C HN 0.470 nan 8.230 nan 0.000 0.590 690 I N 1.973 122.606 120.570 0.107 0.000 3.904 690 I HA 0.239 4.409 4.170 -0.001 0.000 0.333 690 I C 0.672 176.768 176.117 -0.036 0.000 1.361 690 I CA -0.027 61.290 61.300 0.029 0.000 1.116 690 I CB -0.722 37.281 38.000 0.006 0.000 1.028 690 I HN 0.843 nan 8.210 nan 0.000 0.398 691 Q N 1.025 120.820 119.800 -0.009 0.000 2.452 691 Q HA -0.222 4.118 4.340 -0.001 0.000 0.318 691 Q C 1.182 177.020 176.000 -0.270 0.000 1.386 691 Q CA 0.614 56.204 55.803 -0.354 0.000 0.872 691 Q CB -2.107 26.121 28.738 -0.849 0.000 1.151 691 Q HN 0.942 nan 8.270 nan 0.000 0.417 692 C N -2.781 116.475 119.300 -0.073 0.000 2.735 692 C HA 0.232 4.692 4.460 -0.001 0.000 0.271 692 C C 1.114 176.056 174.990 -0.080 0.000 1.281 692 C CA 0.277 59.245 59.018 -0.084 0.000 1.719 692 C CB 0.076 27.785 27.740 -0.052 0.000 2.024 692 C HN 0.760 nan 8.230 nan 0.000 0.566 693 N N 0.616 119.316 118.700 -0.000 0.000 2.863 693 N HA -0.212 4.528 4.740 -0.001 0.000 0.245 693 N C 0.765 176.280 175.510 0.009 0.000 1.001 693 N CA 1.520 54.566 53.050 -0.007 0.000 0.901 693 N CB -1.620 36.776 38.487 -0.152 0.000 1.124 693 N HN 0.791 nan 8.380 nan 0.000 0.582 694 Q N -0.739 119.058 119.800 -0.005 0.000 2.167 694 Q HA -0.100 4.240 4.340 -0.001 0.000 0.202 694 Q C 2.257 178.295 176.000 0.063 0.000 0.970 694 Q CA 1.801 57.600 55.803 -0.006 0.000 0.855 694 Q CB -0.117 28.590 28.738 -0.052 0.000 0.911 694 Q HN 0.854 nan 8.270 nan 0.000 0.438 695 C N -0.683 118.648 119.300 0.052 0.000 2.429 695 C HA 0.078 4.537 4.460 -0.001 0.000 0.277 695 C C 2.709 177.723 174.990 0.040 0.000 1.262 695 C CA 0.385 59.431 59.018 0.047 0.000 1.733 695 C CB -1.254 26.510 27.740 0.040 0.000 2.010 695 C HN 0.449 nan 8.230 nan 0.000 0.483 696 A N -0.048 122.790 122.820 0.031 0.000 1.968 696 A HA 0.014 4.334 4.320 -0.001 0.000 0.217 696 A C 1.974 179.569 177.584 0.019 0.000 1.169 696 A CA 1.337 53.375 52.037 0.002 0.000 0.638 696 A CB -0.980 18.003 19.000 -0.028 0.000 0.812 696 A HN 0.598 nan 8.150 nan 0.000 0.446 697 F N 0.398 120.301 119.950 -0.078 0.000 2.134 697 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 697 F C 2.075 177.820 175.800 -0.091 0.000 1.097 697 F CA 1.960 59.914 58.000 -0.076 0.000 1.264 697 F CB 0.135 39.098 39.000 -0.061 0.000 1.001 697 F HN 0.041 nan 8.300 nan 0.000 0.479 698 V N -0.985 119.029 119.914 0.165 0.000 3.306 698 V HA -0.109 4.010 4.120 -0.001 0.000 0.264 698 V C 1.110 177.179 176.094 -0.042 0.000 1.149 698 V CA 0.279 62.609 62.300 0.049 0.000 1.143 698 V CB -0.800 31.058 31.823 0.059 0.000 0.767 698 V HN 0.400 nan 8.190 nan 0.000 0.476 699 C N 2.964 122.239 119.300 -0.042 0.000 2.638 699 C HA 0.150 4.609 4.460 -0.001 0.000 0.410 699 C C -0.450 174.480 174.990 -0.101 0.000 1.404 699 C CA -0.852 58.142 59.018 -0.040 0.000 1.651 699 C CB 0.367 28.099 27.740 -0.014 0.000 2.495 699 C HN 0.338 nan 8.230 nan 0.000 0.606 700 P HA 0.049 nan 4.420 nan 0.000 0.242 700 P C -0.029 176.980 177.300 -0.486 0.000 1.197 700 P CA 1.277 64.233 63.100 -0.240 0.000 0.765 700 P CB 0.052 31.671 31.700 -0.135 0.000 0.936 701 H N -3.485 115.508 119.070 -0.128 0.000 3.230 701 H HA 0.287 4.842 4.556 -0.001 0.000 0.259 701 H C 0.486 175.787 175.328 -0.045 0.000 1.195 701 H CA -0.052 55.948 56.048 -0.080 0.000 1.112 701 H CB 0.128 29.904 29.762 0.023 0.000 1.638 701 H HN -0.212 nan 8.280 nan 0.000 0.624 702 S N 0.190 115.871 115.700 -0.030 0.000 3.635 702 S HA -0.249 4.221 4.470 -0.001 0.000 0.328 702 S C 1.296 175.979 174.600 0.139 0.000 1.135 702 S CA 0.479 58.642 58.200 -0.063 0.000 0.942 702 S CB -1.462 61.565 63.200 -0.288 0.000 0.930 702 S HN 0.679 nan 8.310 nan 0.000 0.512 703 A N 0.009 122.930 122.820 0.169 0.000 2.251 703 A HA 0.481 4.801 4.320 -0.001 0.000 0.209 703 A C 0.605 178.229 177.584 0.067 0.000 1.187 703 A CA 0.333 52.470 52.037 0.166 0.000 0.823 703 A CB -0.015 19.049 19.000 0.107 0.000 0.846 703 A HN 0.672 nan 8.150 nan 0.000 0.486 704 I N 0.536 121.124 120.570 0.029 0.000 2.389 704 I HA 0.318 4.488 4.170 -0.001 0.000 0.288 704 I C -1.095 174.995 176.117 -0.045 0.000 0.999 704 I CA -0.795 60.488 61.300 -0.028 0.000 1.129 704 I CB 1.970 39.944 38.000 -0.044 0.000 1.288 704 I HN 0.063 nan 8.210 nan 0.000 0.444 705 L N 10.016 131.196 121.223 -0.071 0.000 2.295 705 L HA 0.620 4.960 4.340 -0.001 0.000 0.281 705 L C -2.616 174.172 176.870 -0.138 0.000 1.018 705 L CA -1.899 52.902 54.840 -0.065 0.000 0.841 705 L CB 0.967 43.014 42.059 -0.020 0.000 1.218 705 L HN 0.225 nan 8.230 nan 0.000 0.424 706 P HA 0.228 nan 4.420 nan 0.000 0.276 706 P C -1.227 176.035 177.300 -0.063 0.000 1.230 706 P CA -0.117 62.897 63.100 -0.143 0.000 0.776 706 P CB 1.192 32.925 31.700 0.056 0.000 0.888 707 V N 5.099 124.863 119.914 -0.250 0.000 2.444 707 V HA 0.361 4.480 4.120 -0.001 0.000 0.294 707 V C -0.336 175.704 176.094 -0.090 0.000 1.022 707 V CA -0.497 61.733 62.300 -0.117 0.000 0.850 707 V CB 1.599 33.374 31.823 -0.080 0.000 0.992 707 V HN 0.335 nan 8.190 nan 0.000 0.426 708 L N 5.370 126.554 121.223 -0.066 0.000 2.353 708 L HA 0.903 5.243 4.340 -0.001 0.000 0.270 708 L C -0.011 176.880 176.870 0.035 0.000 1.003 708 L CA 0.046 54.836 54.840 -0.083 0.000 0.862 708 L CB 0.980 42.689 42.059 -0.584 0.000 1.221 708 L HN 0.770 nan 8.230 nan 0.000 0.430 709 A N 4.455 127.381 122.820 0.177 0.000 2.423 709 A HA 0.809 5.128 4.320 -0.001 0.000 0.304 709 A C -0.808 176.903 177.584 0.212 0.000 1.104 709 A CA -0.810 51.346 52.037 0.197 0.000 0.757 709 A CB 1.293 20.392 19.000 0.165 0.000 1.313 709 A HN 0.590 nan 8.150 nan 0.000 0.423 710 K N 0.313 120.777 120.400 0.107 0.000 2.087 710 K HA 0.278 4.597 4.320 -0.001 0.000 0.255 710 K C 0.442 177.054 176.600 0.021 0.000 0.988 710 K CA -0.479 55.790 56.287 -0.029 0.000 0.915 710 K CB 1.194 33.629 32.500 -0.107 0.000 1.043 710 K HN 0.788 nan 8.250 nan 0.000 0.457 711 E N 1.611 121.809 120.200 -0.003 0.000 2.086 711 E HA -0.311 4.039 4.350 -0.001 0.000 0.200 711 E C 1.609 178.231 176.600 0.036 0.000 1.012 711 E CA 2.147 58.564 56.400 0.028 0.000 0.812 711 E CB 0.027 29.732 29.700 0.008 0.000 0.743 711 E HN 0.660 nan 8.360 nan 0.000 0.453 712 E N 0.850 121.059 120.200 0.014 0.000 2.265 712 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 712 E C 1.501 178.123 176.600 0.037 0.000 0.996 712 E CA 1.101 57.512 56.400 0.019 0.000 0.832 712 E CB -0.160 29.541 29.700 0.002 0.000 0.756 712 E HN 0.325 nan 8.360 nan 0.000 0.491 713 E N -0.039 120.189 120.200 0.046 0.000 2.427 713 E HA -0.031 4.319 4.350 -0.001 0.000 0.196 713 E C 0.664 177.341 176.600 0.128 0.000 1.028 713 E CA 0.186 56.619 56.400 0.055 0.000 0.864 713 E CB 0.257 29.981 29.700 0.040 0.000 0.813 713 E HN 0.212 nan 8.360 nan 0.000 0.514 714 L N -0.111 121.202 121.223 0.151 0.000 2.818 714 L HA 0.045 4.384 4.340 -0.001 0.000 0.243 714 L C 1.430 178.367 176.870 0.112 0.000 1.185 714 L CA 0.299 55.259 54.840 0.201 0.000 0.988 714 L CB 0.488 42.679 42.059 0.220 0.000 1.292 714 L HN -0.045 nan 8.230 nan 0.000 0.519 715 V N 0.263 120.231 119.914 0.091 0.000 2.255 715 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 715 V C 2.150 178.247 176.094 0.005 0.000 1.051 715 V CA 2.204 64.530 62.300 0.044 0.000 1.018 715 V CB -0.944 30.902 31.823 0.039 0.000 0.641 715 V HN 0.569 nan 8.190 nan 0.000 0.445 716 G N -0.628 108.186 108.800 0.024 0.000 3.181 716 G HA2 0.373 4.332 3.960 -0.001 0.000 0.219 716 G HA3 0.373 4.332 3.960 -0.001 0.000 0.219 716 G C 0.520 175.194 174.900 -0.377 0.000 1.182 716 G CA 0.449 45.510 45.100 -0.065 0.000 0.791 716 G HN 0.615 nan 8.290 nan 0.000 0.537 717 A N 1.096 123.610 122.820 -0.509 0.000 2.511 717 A HA 0.519 4.839 4.320 -0.001 0.000 0.242 717 A C -1.754 175.486 177.584 -0.572 0.000 1.069 717 A CA -0.762 50.634 52.037 -1.067 0.000 0.763 717 A CB 0.190 18.906 19.000 -0.473 0.000 1.001 717 A HN 0.215 nan 8.150 nan 0.000 0.498 718 P HA 0.113 nan 4.420 nan 0.000 0.269 718 P C 1.047 178.311 177.300 -0.060 0.000 1.211 718 P CA 0.677 63.641 63.100 -0.227 0.000 0.781 718 P CB 0.551 32.159 31.700 -0.153 0.000 0.877 719 A N 2.806 125.610 122.820 -0.027 0.000 1.917 719 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 719 A C 1.499 179.115 177.584 0.052 0.000 1.182 719 A CA 2.002 54.046 52.037 0.011 0.000 0.633 719 A CB -1.143 17.858 19.000 0.003 0.000 0.819 719 A HN 0.759 nan 8.150 nan 0.000 0.448 720 N N -1.408 117.334 118.700 0.071 0.000 2.313 720 N HA 0.022 4.762 4.740 -0.001 0.000 0.207 720 N C 0.048 175.646 175.510 0.147 0.000 1.141 720 N CA -0.278 52.825 53.050 0.088 0.000 0.830 720 N CB -0.302 38.227 38.487 0.070 0.000 1.008 720 N HN 0.293 nan 8.380 nan 0.000 0.481 721 F N 2.925 122.879 119.950 0.005 0.000 2.705 721 F HA 0.181 4.708 4.527 -0.001 0.000 0.355 721 F C 0.064 175.917 175.800 0.087 0.000 1.172 721 F CA -0.388 57.634 58.000 0.037 0.000 1.332 721 F CB -0.934 38.052 39.000 -0.022 0.000 1.621 721 F HN -0.187 nan 8.300 nan 0.000 0.605 722 T N 2.389 116.957 114.554 0.023 0.000 2.905 722 T HA 0.366 4.715 4.350 -0.001 0.000 0.299 722 T C 0.274 175.009 174.700 0.059 0.000 1.024 722 T CA 0.391 62.518 62.100 0.045 0.000 1.151 722 T CB 0.424 69.313 68.868 0.035 0.000 0.987 722 T HN 0.515 nan 8.240 nan 0.000 0.535 723 A N 3.472 126.354 122.820 0.103 0.000 2.454 723 A HA 0.814 5.134 4.320 -0.001 0.000 0.302 723 A C -0.695 177.007 177.584 0.197 0.000 1.079 723 A CA -0.899 51.234 52.037 0.161 0.000 0.731 723 A CB 1.208 20.289 19.000 0.135 0.000 1.299 723 A HN 0.762 nan 8.150 nan 0.000 0.413 724 L N 0.277 121.676 121.223 0.293 0.000 2.331 724 L HA 0.470 4.809 4.340 -0.001 0.000 0.268 724 L C 0.154 177.166 176.870 0.237 0.000 1.015 724 L CA -0.762 54.229 54.840 0.251 0.000 0.807 724 L CB 1.392 43.647 42.059 0.327 0.000 1.293 724 L HN 0.748 nan 8.230 nan 0.000 0.451 725 E N 1.153 121.455 120.200 0.169 0.000 2.217 725 E HA 0.269 4.619 4.350 -0.001 0.000 0.279 725 E C -0.338 176.358 176.600 0.159 0.000 1.068 725 E CA -0.508 55.980 56.400 0.146 0.000 0.882 725 E CB 1.177 30.934 29.700 0.095 0.000 1.039 725 E HN 0.572 nan 8.360 nan 0.000 0.418 726 A N 5.015 127.952 122.820 0.195 0.000 2.537 726 A HA -0.043 4.277 4.320 -0.001 0.000 0.260 726 A C 0.241 177.868 177.584 0.071 0.000 1.082 726 A CA 0.311 52.444 52.037 0.159 0.000 0.765 726 A CB -0.023 19.112 19.000 0.224 0.000 1.019 726 A HN 0.521 nan 8.150 nan 0.000 0.507 727 K N 1.448 121.841 120.400 -0.011 0.000 2.180 727 K HA 0.511 4.831 4.320 -0.001 0.000 0.251 727 K C 0.601 177.192 176.600 -0.014 0.000 1.014 727 K CA 0.770 57.046 56.287 -0.019 0.000 0.913 727 K CB 0.627 33.092 32.500 -0.057 0.000 1.008 727 K HN 1.516 nan 8.250 nan 0.000 0.490 728 G N 0.923 109.723 108.800 -0.000 0.000 2.697 728 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 728 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 728 G C 0.071 174.990 174.900 0.032 0.000 1.179 728 G CA -0.232 44.874 45.100 0.009 0.000 0.765 728 G HN 0.651 nan 8.290 nan 0.000 0.649 729 K N 0.115 120.532 120.400 0.029 0.000 2.155 729 K HA -0.014 4.306 4.320 -0.001 0.000 0.203 729 K C 1.980 178.613 176.600 0.054 0.000 1.052 729 K CA 2.044 58.354 56.287 0.038 0.000 0.948 729 K CB -0.015 32.502 32.500 0.028 0.000 0.728 729 K HN 0.490 nan 8.250 nan 0.000 0.448 730 E N 0.297 120.527 120.200 0.050 0.000 2.435 730 E HA -0.020 4.330 4.350 -0.001 0.000 0.195 730 E C 0.966 177.619 176.600 0.088 0.000 1.029 730 E CA 0.512 56.948 56.400 0.060 0.000 0.865 730 E CB 0.209 29.931 29.700 0.037 0.000 0.833 730 E HN 0.297 nan 8.360 nan 0.000 0.510 731 L N 0.375 121.653 121.223 0.091 0.000 2.667 731 L HA 0.191 4.531 4.340 -0.001 0.000 0.232 731 L C 0.730 177.779 176.870 0.299 0.000 1.138 731 L CA -0.350 54.579 54.840 0.149 0.000 0.921 731 L CB 0.065 42.153 42.059 0.047 0.000 1.180 731 L HN -0.054 nan 8.230 nan 0.000 0.487 732 K N 1.399 121.915 120.400 0.193 0.000 2.466 732 K HA 0.116 4.435 4.320 -0.001 0.000 0.278 732 K C 1.130 177.800 176.600 0.116 0.000 1.048 732 K CA 1.134 57.500 56.287 0.132 0.000 1.088 732 K CB 0.222 32.770 32.500 0.080 0.000 0.884 732 K HN 0.299 nan 8.250 nan 0.000 0.478 733 G N 3.273 112.117 108.800 0.074 0.000 2.259 733 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.217 733 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.217 733 G C -0.418 174.444 174.900 -0.063 0.000 1.001 733 G CA -0.162 44.918 45.100 -0.034 0.000 0.627 733 G HN 0.594 nan 8.290 nan 0.000 0.501 734 Y N 1.592 121.915 120.300 0.039 0.000 2.298 734 Y HA 0.637 5.186 4.550 -0.001 0.000 0.329 734 Y C 0.974 176.930 175.900 0.092 0.000 1.293 734 Y CA -0.183 57.946 58.100 0.049 0.000 1.388 734 Y CB 0.708 39.182 38.460 0.024 0.000 1.309 734 Y HN -0.110 nan 8.280 nan 0.000 0.544 735 K N 1.692 122.267 120.400 0.291 0.000 2.156 735 K HA 0.400 4.719 4.320 -0.001 0.000 0.254 735 K C -1.540 175.251 176.600 0.318 0.000 0.950 735 K CA -0.733 55.708 56.287 0.257 0.000 0.849 735 K CB 2.000 34.622 32.500 0.203 0.000 1.100 735 K HN 0.570 nan 8.250 nan 0.000 0.434 736 F N 1.470 121.509 119.950 0.149 0.000 2.551 736 F HA 0.526 5.052 4.527 -0.001 0.000 0.316 736 F C -0.538 175.324 175.800 0.104 0.000 1.089 736 F CA -0.754 57.324 58.000 0.130 0.000 0.915 736 F CB 1.681 40.782 39.000 0.168 0.000 1.186 736 F HN 0.475 nan 8.300 nan 0.000 0.456 737 R N 6.736 126.716 120.500 -0.866 0.000 2.566 737 R HA 0.450 4.789 4.340 -0.001 0.000 0.271 737 R C -2.222 173.216 176.300 -1.437 0.000 1.071 737 R CA -0.690 54.812 56.100 -0.996 0.000 0.915 737 R CB 1.396 31.316 30.300 -0.633 0.000 1.228 737 R HN 0.634 nan 8.270 nan 0.000 0.449 738 I N 4.254 123.588 120.570 -2.060 0.000 2.287 738 I HA 0.160 4.329 4.170 -0.001 0.000 0.290 738 I C -0.132 175.416 176.117 -0.948 0.000 1.069 738 I CA -0.283 60.147 61.300 -1.449 0.000 1.237 738 I CB 1.011 37.994 38.000 -1.694 0.000 1.418 738 I HN 0.596 nan 8.210 nan 0.000 0.481 739 Q N 6.773 126.257 119.800 -0.526 0.000 2.296 739 Q HA 0.373 4.713 4.340 -0.001 0.000 0.257 739 Q C -0.758 175.153 176.000 -0.148 0.000 0.942 739 Q CA -0.311 55.335 55.803 -0.261 0.000 0.939 739 Q CB 0.911 29.583 28.738 -0.110 0.000 1.198 739 Q HN 0.364 nan 8.270 nan 0.000 0.429 740 I N 3.901 124.422 120.570 -0.081 0.000 2.395 740 I HA 0.170 4.339 4.170 -0.001 0.000 0.289 740 I C 0.227 176.338 176.117 -0.010 0.000 1.023 740 I CA -0.327 60.953 61.300 -0.033 0.000 1.350 740 I CB 0.837 38.840 38.000 0.004 0.000 1.409 740 I HN 0.676 nan 8.210 nan 0.000 0.507 741 N N 4.890 123.584 118.700 -0.011 0.000 2.767 741 N HA 0.028 4.767 4.740 -0.001 0.000 0.238 741 N C 1.199 176.681 175.510 -0.046 0.000 1.083 741 N CA -0.086 52.945 53.050 -0.031 0.000 0.964 741 N CB 0.621 39.090 38.487 -0.031 0.000 1.252 741 N HN 0.697 nan 8.380 nan 0.000 0.512 742 T N 0.311 114.846 114.554 -0.031 0.000 2.881 742 T HA -0.095 4.254 4.350 -0.001 0.000 0.270 742 T C 1.733 176.403 174.700 -0.049 0.000 1.068 742 T CA 0.843 62.928 62.100 -0.026 0.000 1.131 742 T CB -0.081 68.784 68.868 -0.004 0.000 0.871 742 T HN 0.406 nan 8.240 nan 0.000 0.479 743 L N 0.194 121.368 121.223 -0.082 0.000 2.375 743 L HA 0.171 4.511 4.340 -0.001 0.000 0.215 743 L C 2.030 178.811 176.870 -0.148 0.000 1.108 743 L CA 0.772 55.553 54.840 -0.098 0.000 0.830 743 L CB -0.151 41.846 42.059 -0.102 0.000 0.959 743 L HN 0.195 nan 8.230 nan 0.000 0.457 744 D N -0.972 119.301 120.400 -0.212 0.000 2.392 744 D HA 0.011 4.651 4.640 -0.001 0.000 0.206 744 D C 0.706 176.945 176.300 -0.102 0.000 1.046 744 D CA 0.124 53.976 54.000 -0.246 0.000 0.865 744 D CB 0.325 40.768 40.800 -0.595 0.000 0.969 744 D HN 0.202 nan 8.370 nan 0.000 0.509 745 C N 1.395 120.648 119.300 -0.078 0.000 2.679 745 C HA 0.056 4.515 4.460 -0.001 0.000 0.417 745 C C 1.624 176.544 174.990 -0.117 0.000 1.302 745 C CA -0.067 58.915 59.018 -0.060 0.000 1.973 745 C CB -0.166 27.556 27.740 -0.030 0.000 2.715 745 C HN 0.187 nan 8.230 nan 0.000 0.628 746 M N 3.842 123.341 119.600 -0.168 0.000 2.333 746 M HA 0.206 4.685 4.480 -0.001 0.000 0.257 746 M C 1.684 177.931 176.300 -0.089 0.000 1.078 746 M CA 1.032 56.214 55.300 -0.198 0.000 1.005 746 M CB -0.797 31.553 32.600 -0.415 0.000 1.444 746 M HN 1.184 nan 8.290 nan 0.000 0.496 747 G N 1.218 109.988 108.800 -0.051 0.000 2.160 747 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.251 747 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.251 747 G C 1.056 175.952 174.900 -0.006 0.000 1.008 747 G CA 0.554 45.643 45.100 -0.018 0.000 0.724 747 G HN 0.639 nan 8.290 nan 0.000 0.514 748 C N -1.864 117.434 119.300 -0.003 0.000 2.446 748 C HA 0.453 4.913 4.460 -0.001 0.000 0.277 748 C C 2.659 177.659 174.990 0.016 0.000 1.275 748 C CA 1.552 60.576 59.018 0.011 0.000 1.727 748 C CB -0.829 26.926 27.740 0.025 0.000 2.010 748 C HN 2.457 nan 8.230 nan 0.000 0.486 749 G N 0.839 109.649 108.800 0.018 0.000 2.176 749 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.232 749 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.232 749 G C 0.441 175.356 174.900 0.025 0.000 0.986 749 G CA 0.594 45.707 45.100 0.022 0.000 0.643 749 G HN 0.583 nan 8.290 nan 0.000 0.522 750 N N -0.031 118.683 118.700 0.024 0.000 2.120 750 N HA -0.124 4.615 4.740 -0.001 0.000 0.188 750 N C 2.698 178.224 175.510 0.026 0.000 1.024 750 N CA 2.517 55.581 53.050 0.023 0.000 0.852 750 N CB -0.465 38.032 38.487 0.015 0.000 1.003 750 N HN 0.933 nan 8.380 nan 0.000 0.424 751 C N 0.071 119.389 119.300 0.029 0.000 2.413 751 C HA 0.043 4.503 4.460 -0.001 0.000 0.278 751 C C 2.732 177.747 174.990 0.043 0.000 1.224 751 C CA 0.552 59.592 59.018 0.036 0.000 1.732 751 C CB -1.430 26.332 27.740 0.036 0.000 2.050 751 C HN 0.380 nan 8.230 nan 0.000 0.463 752 A N 1.205 124.051 122.820 0.044 0.000 1.972 752 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 752 A C 1.908 179.515 177.584 0.038 0.000 1.169 752 A CA 2.320 54.386 52.037 0.048 0.000 0.635 752 A CB -0.999 18.028 19.000 0.045 0.000 0.810 752 A HN 0.682 nan 8.150 nan 0.000 0.446 753 D N -0.011 120.408 120.400 0.032 0.000 2.144 753 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 753 D C 1.466 177.780 176.300 0.025 0.000 0.984 753 D CA 1.657 55.673 54.000 0.027 0.000 0.834 753 D CB -0.159 40.657 40.800 0.026 0.000 0.955 753 D HN 0.556 nan 8.370 nan 0.000 0.465 754 I N -1.584 119.001 120.570 0.025 0.000 3.968 754 I HA 0.233 4.403 4.170 -0.001 0.000 0.328 754 I C 0.414 176.542 176.117 0.018 0.000 1.290 754 I CA -0.744 60.566 61.300 0.017 0.000 1.163 754 I CB -0.884 37.123 38.000 0.011 0.000 1.024 754 I HN -0.047 nan 8.210 nan 0.000 0.413 755 C N 4.526 123.846 119.300 0.033 0.000 2.531 755 C HA 0.080 4.539 4.460 -0.001 0.000 0.401 755 C C -0.241 174.767 174.990 0.031 0.000 1.473 755 C CA -0.669 58.376 59.018 0.045 0.000 1.472 755 C CB -0.195 27.587 27.740 0.069 0.000 2.429 755 C HN 0.394 nan 8.230 nan 0.000 0.620 756 P HA -0.121 nan 4.420 nan 0.000 0.216 756 P C -1.726 175.580 177.300 0.010 0.000 1.167 756 P CA 1.633 64.737 63.100 0.008 0.000 0.933 756 P CB -1.197 30.503 31.700 -0.000 0.000 0.793 757 P HA -0.074 nan 4.420 nan 0.000 0.262 757 P C 0.343 177.648 177.300 0.009 0.000 1.182 757 P CA 0.745 63.851 63.100 0.011 0.000 0.761 757 P CB 0.633 32.342 31.700 0.015 0.000 0.795 758 K N 1.628 122.030 120.400 0.003 0.000 2.113 758 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 758 K C 1.011 177.612 176.600 0.002 0.000 1.047 758 K CA 1.296 57.584 56.287 0.003 0.000 0.928 758 K CB -0.027 32.472 32.500 -0.000 0.000 0.716 758 K HN 0.612 nan 8.250 nan 0.000 0.446 759 E N 2.494 122.694 120.200 -0.001 0.000 1.964 759 E HA 0.072 4.421 4.350 -0.001 0.000 0.264 759 E C -0.779 175.819 176.600 -0.003 0.000 1.120 759 E CA -0.256 56.141 56.400 -0.005 0.000 1.061 759 E CB 0.132 29.824 29.700 -0.013 0.000 1.190 759 E HN -0.120 nan 8.360 nan 0.000 0.459 760 K N 1.358 121.763 120.400 0.007 0.000 2.579 760 K HA -0.102 4.217 4.320 -0.001 0.000 0.277 760 K C 0.766 177.376 176.600 0.016 0.000 0.985 760 K CA 0.746 57.045 56.287 0.020 0.000 1.088 760 K CB 0.280 32.795 32.500 0.025 0.000 0.836 760 K HN 0.615 nan 8.250 nan 0.000 0.487 761 A N 3.824 126.673 122.820 0.048 0.000 2.308 761 A HA 0.196 4.516 4.320 -0.001 0.000 0.217 761 A C 0.374 178.038 177.584 0.133 0.000 1.216 761 A CA 0.117 52.182 52.037 0.045 0.000 0.864 761 A CB 0.240 19.313 19.000 0.123 0.000 0.902 761 A HN 0.521 nan 8.150 nan 0.000 0.499 762 L N 0.478 121.774 121.223 0.121 0.000 2.439 762 L HA 0.530 4.869 4.340 -0.001 0.000 0.270 762 L C -1.476 175.439 176.870 0.076 0.000 0.972 762 L CA -0.644 54.277 54.840 0.135 0.000 0.836 762 L CB 2.467 44.611 42.059 0.141 0.000 1.255 762 L HN -0.090 nan 8.230 nan 0.000 0.404 763 V N 3.672 123.625 119.914 0.065 0.000 2.638 763 V HA 0.450 4.569 4.120 -0.001 0.000 0.306 763 V C 0.089 176.208 176.094 0.041 0.000 1.052 763 V CA -0.704 61.622 62.300 0.042 0.000 0.885 763 V CB 2.139 33.978 31.823 0.026 0.000 0.999 763 V HN 0.624 nan 8.190 nan 0.000 0.424 764 M N 4.675 124.294 119.600 0.033 0.000 2.228 764 M HA 0.422 4.901 4.480 -0.001 0.000 0.351 764 M C -0.241 176.074 176.300 0.025 0.000 1.233 764 M CA 0.453 55.770 55.300 0.029 0.000 1.129 764 M CB 0.390 33.005 32.600 0.023 0.000 1.604 764 M HN 0.629 nan 8.290 nan 0.000 0.457 765 Q N 2.434 122.249 119.800 0.025 0.000 2.456 765 Q HA 0.569 4.909 4.340 -0.001 0.000 0.284 765 Q C -2.570 173.442 176.000 0.021 0.000 1.061 765 Q CA -1.942 53.874 55.803 0.023 0.000 0.799 765 Q CB 1.400 30.153 28.738 0.026 0.000 1.445 765 Q HN 0.317 nan 8.270 nan 0.000 0.411 766 P HA -0.036 nan 4.420 nan 0.000 0.265 766 P C 0.848 178.161 177.300 0.022 0.000 1.193 766 P CA -0.120 62.992 63.100 0.020 0.000 0.765 766 P CB 0.487 32.199 31.700 0.021 0.000 0.823 767 L N 4.760 125.995 121.223 0.021 0.000 2.043 767 L HA -0.251 4.088 4.340 -0.001 0.000 0.212 767 L C 1.398 178.283 176.870 0.026 0.000 1.075 767 L CA 2.390 57.243 54.840 0.021 0.000 0.752 767 L CB -1.426 40.644 42.059 0.018 0.000 0.891 767 L HN 0.387 nan 8.230 nan 0.000 0.432 768 D N -2.213 118.205 120.400 0.031 0.000 2.263 768 D HA -0.187 4.452 4.640 -0.001 0.000 0.208 768 D C 1.758 178.078 176.300 0.033 0.000 0.971 768 D CA 1.297 55.318 54.000 0.036 0.000 0.867 768 D CB -0.952 39.874 40.800 0.044 0.000 0.929 768 D HN 0.559 nan 8.370 nan 0.000 0.492 769 T N -4.209 110.363 114.554 0.030 0.000 3.107 769 T HA 0.087 4.436 4.350 -0.001 0.000 0.249 769 T C 1.377 176.095 174.700 0.030 0.000 1.096 769 T CA 0.045 62.162 62.100 0.029 0.000 1.012 769 T CB 0.231 69.114 68.868 0.026 0.000 0.977 769 T HN 0.008 nan 8.240 nan 0.000 0.527 770 Q N 0.775 120.593 119.800 0.030 0.000 2.404 770 Q HA 0.211 4.551 4.340 -0.001 0.000 0.262 770 Q C 2.444 178.463 176.000 0.032 0.000 0.846 770 Q CA 0.371 56.194 55.803 0.033 0.000 0.978 770 Q CB 0.108 28.866 28.738 0.033 0.000 1.156 770 Q HN 0.710 nan 8.270 nan 0.000 0.548 771 R N 1.257 121.773 120.500 0.026 0.000 2.083 771 R HA -0.121 4.219 4.340 -0.001 0.000 0.237 771 R C 1.084 177.399 176.300 0.025 0.000 1.137 771 R CA 1.739 57.853 56.100 0.022 0.000 0.951 771 R CB -0.484 29.827 30.300 0.019 0.000 0.851 771 R HN -0.011 nan 8.270 nan 0.000 0.434 772 D N 1.163 121.579 120.400 0.025 0.000 2.133 772 D HA -0.155 4.485 4.640 -0.001 0.000 0.195 772 D C 1.924 178.241 176.300 0.028 0.000 0.997 772 D CA 1.985 55.999 54.000 0.023 0.000 0.840 772 D CB -0.105 40.708 40.800 0.022 0.000 0.947 772 D HN 0.514 nan 8.370 nan 0.000 0.452 773 A N 0.420 123.261 122.820 0.035 0.000 1.911 773 A HA -0.079 4.241 4.320 -0.001 0.000 0.212 773 A C 2.052 179.674 177.584 0.062 0.000 1.189 773 A CA 0.712 52.777 52.037 0.046 0.000 0.639 773 A CB -0.056 18.973 19.000 0.048 0.000 0.839 773 A HN 0.003 nan 8.150 nan 0.000 0.449 774 Q N -0.145 119.690 119.800 0.058 0.000 2.331 774 Q HA 0.035 4.375 4.340 -0.001 0.000 0.203 774 Q C 2.145 178.181 176.000 0.059 0.000 0.944 774 Q CA 0.896 56.739 55.803 0.067 0.000 0.892 774 Q CB -0.612 28.157 28.738 0.052 0.000 0.983 774 Q HN 0.451 nan 8.270 nan 0.000 0.482 775 V N 2.586 122.523 119.914 0.039 0.000 2.261 775 V HA -0.176 3.944 4.120 -0.001 0.000 0.246 775 V C -0.575 175.543 176.094 0.040 0.000 1.047 775 V CA 2.189 64.504 62.300 0.025 0.000 1.015 775 V CB -1.652 30.178 31.823 0.012 0.000 0.642 775 V HN 0.262 nan 8.190 nan 0.000 0.446 776 P HA -0.141 nan 4.420 nan 0.000 0.221 776 P C 1.136 178.489 177.300 0.089 0.000 1.150 776 P CA 1.488 64.618 63.100 0.049 0.000 0.800 776 P CB -0.223 31.494 31.700 0.028 0.000 0.787 777 N N -0.282 118.497 118.700 0.132 0.000 2.188 777 N HA -0.084 4.656 4.740 -0.001 0.000 0.184 777 N C 1.891 177.568 175.510 0.278 0.000 1.018 777 N CA 0.209 53.417 53.050 0.263 0.000 0.858 777 N CB -0.359 38.321 38.487 0.322 0.000 0.989 777 N HN 0.030 nan 8.380 nan 0.000 0.426 778 L N 1.965 123.284 121.223 0.160 0.000 2.056 778 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 778 L C 1.864 178.782 176.870 0.081 0.000 1.078 778 L CA 1.867 56.773 54.840 0.111 0.000 0.749 778 L CB -0.754 41.329 42.059 0.041 0.000 0.901 778 L HN 0.157 nan 8.230 nan 0.000 0.433 779 E N -0.534 119.704 120.200 0.064 0.000 2.058 779 E HA -0.290 4.060 4.350 -0.001 0.000 0.194 779 E C 2.031 178.648 176.600 0.028 0.000 0.997 779 E CA 1.522 57.944 56.400 0.037 0.000 0.801 779 E CB -0.733 28.990 29.700 0.037 0.000 0.746 779 E HN 0.596 nan 8.360 nan 0.000 0.450 780 Y N 1.281 121.532 120.300 -0.082 0.000 2.145 780 Y HA -0.205 4.344 4.550 -0.001 0.000 0.286 780 Y C 2.321 178.120 175.900 -0.169 0.000 1.145 780 Y CA 1.748 59.738 58.100 -0.182 0.000 1.148 780 Y CB -0.523 37.721 38.460 -0.360 0.000 0.981 780 Y HN 0.021 nan 8.280 nan 0.000 0.507 781 A N 0.571 123.378 122.820 -0.022 0.000 1.908 781 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 781 A C 2.405 179.957 177.584 -0.053 0.000 1.181 781 A CA 2.014 54.084 52.037 0.055 0.000 0.627 781 A CB -1.581 17.601 19.000 0.304 0.000 0.818 781 A HN 0.619 nan 8.150 nan 0.000 0.445 782 A N -0.738 122.061 122.820 -0.036 0.000 2.076 782 A HA -0.150 4.170 4.320 -0.001 0.000 0.220 782 A C 2.112 179.644 177.584 -0.087 0.000 1.160 782 A CA 1.764 53.776 52.037 -0.040 0.000 0.653 782 A CB -0.360 18.629 19.000 -0.018 0.000 0.801 782 A HN 0.500 nan 8.150 nan 0.000 0.455 783 R N -0.872 119.527 120.500 -0.168 0.000 2.297 783 R HA 0.309 4.648 4.340 -0.001 0.000 0.197 783 R C -0.141 176.030 176.300 -0.215 0.000 0.943 783 R CA 0.010 55.994 56.100 -0.192 0.000 1.038 783 R CB -0.034 30.119 30.300 -0.245 0.000 0.957 783 R HN 0.487 nan 8.270 nan 0.000 0.484 784 I N 2.453 122.890 120.570 -0.222 0.000 2.416 784 I HA 0.156 4.326 4.170 -0.001 0.000 0.288 784 I C -1.995 174.072 176.117 -0.083 0.000 1.051 784 I CA -2.237 58.964 61.300 -0.164 0.000 1.375 784 I CB 1.008 38.931 38.000 -0.127 0.000 1.407 784 I HN -0.226 nan 8.210 nan 0.000 0.516 785 P HA -0.009 nan 4.420 nan 0.000 0.262 785 P C -0.533 176.745 177.300 -0.036 0.000 1.182 785 P CA -0.105 62.971 63.100 -0.040 0.000 0.761 785 P CB 0.292 31.975 31.700 -0.028 0.000 0.795 786 V N 5.445 125.341 119.914 -0.030 0.000 2.521 786 V HA 0.016 4.136 4.120 -0.001 0.000 0.286 786 V C 0.996 177.061 176.094 -0.048 0.000 1.034 786 V CA 0.135 62.420 62.300 -0.026 0.000 1.045 786 V CB 0.109 31.931 31.823 -0.001 0.000 0.974 786 V HN 0.394 nan 8.190 nan 0.000 0.480 787 K N 3.836 124.165 120.400 -0.118 0.000 2.142 787 K HA 0.160 4.479 4.320 -0.001 0.000 0.250 787 K C 1.168 177.702 176.600 -0.110 0.000 1.148 787 K CA 0.112 56.299 56.287 -0.166 0.000 1.040 787 K CB 0.459 32.742 32.500 -0.362 0.000 1.569 787 K HN 0.838 nan 8.250 nan 0.000 0.361 788 S N -0.429 115.255 115.700 -0.026 0.000 2.603 788 S HA 0.027 4.496 4.470 -0.001 0.000 0.220 788 S C 1.191 175.799 174.600 0.013 0.000 0.967 788 S CA 0.167 58.380 58.200 0.020 0.000 0.920 788 S CB 0.195 63.406 63.200 0.018 0.000 0.773 788 S HN 0.345 nan 8.310 nan 0.000 0.529 789 E N 0.718 120.911 120.200 -0.012 0.000 2.460 789 E HA 0.263 4.612 4.350 -0.001 0.000 0.200 789 E C 1.572 178.167 176.600 -0.009 0.000 1.011 789 E CA 0.041 56.440 56.400 -0.001 0.000 0.912 789 E CB 0.149 29.851 29.700 0.004 0.000 0.953 789 E HN 0.332 nan 8.360 nan 0.000 0.494 790 V N 0.412 120.294 119.914 -0.053 0.000 2.358 790 V HA -0.069 4.050 4.120 -0.001 0.000 0.246 790 V C 1.047 177.138 176.094 -0.004 0.000 1.047 790 V CA 1.219 63.475 62.300 -0.073 0.000 1.035 790 V CB -0.217 31.449 31.823 -0.261 0.000 0.658 790 V HN 0.137 nan 8.190 nan 0.000 0.452 791 L N -1.152 120.101 121.223 0.050 0.000 2.309 791 L HA 0.484 4.823 4.340 -0.001 0.000 0.261 791 L C -2.624 174.281 176.870 0.059 0.000 1.021 791 L CA -2.077 52.807 54.840 0.074 0.000 0.823 791 L CB 1.609 43.750 42.059 0.136 0.000 1.366 791 L HN -0.069 nan 8.230 nan 0.000 0.423 792 P HA 0.063 nan 4.420 nan 0.000 0.264 792 P C 0.145 177.460 177.300 0.024 0.000 1.193 792 P CA 0.043 63.161 63.100 0.029 0.000 0.763 792 P CB 0.579 32.293 31.700 0.023 0.000 0.810 793 R N 3.265 123.773 120.500 0.013 0.000 2.127 793 R HA -0.168 4.171 4.340 -0.001 0.000 0.238 793 R C 0.685 176.962 176.300 -0.038 0.000 1.134 793 R CA 1.820 57.913 56.100 -0.012 0.000 0.975 793 R CB -0.130 30.153 30.300 -0.028 0.000 0.865 793 R HN 0.533 nan 8.270 nan 0.000 0.447 794 D N -0.274 120.111 120.400 -0.026 0.000 2.395 794 D HA -0.007 4.632 4.640 -0.001 0.000 0.226 794 D C -0.314 175.987 176.300 0.001 0.000 1.146 794 D CA -0.243 53.739 54.000 -0.030 0.000 0.830 794 D CB 0.198 40.988 40.800 -0.018 0.000 0.958 794 D HN 0.120 nan 8.370 nan 0.000 0.501 795 S N -0.937 114.766 115.700 0.005 0.000 2.651 795 S HA 0.324 4.793 4.470 -0.001 0.000 0.291 795 S C 1.215 175.816 174.600 0.001 0.000 1.141 795 S CA -0.962 57.238 58.200 -0.000 0.000 1.027 795 S CB 2.057 65.254 63.200 -0.005 0.000 1.043 795 S HN 0.150 nan 8.310 nan 0.000 0.530 796 L N 1.205 122.403 121.223 -0.041 0.000 1.971 796 L HA -0.179 4.161 4.340 -0.001 0.000 0.215 796 L C 2.700 179.530 176.870 -0.067 0.000 1.072 796 L CA 2.059 56.840 54.840 -0.099 0.000 0.758 796 L CB -0.473 41.449 42.059 -0.228 0.000 0.889 796 L HN 0.985 nan 8.230 nan 0.000 0.433 797 K N -0.709 119.617 120.400 -0.124 0.000 2.057 797 K HA -0.140 4.179 4.320 -0.001 0.000 0.206 797 K C 1.892 178.311 176.600 -0.303 0.000 1.050 797 K CA 1.378 57.529 56.287 -0.227 0.000 0.935 797 K CB -0.390 31.989 32.500 -0.202 0.000 0.715 797 K HN 0.526 nan 8.250 nan 0.000 0.439 798 G N 0.341 109.074 108.800 -0.112 0.000 2.432 798 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 798 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 798 G C 1.497 176.391 174.900 -0.010 0.000 1.135 798 G CA 1.117 46.214 45.100 -0.006 0.000 0.767 798 G HN 0.503 nan 8.290 nan 0.000 0.550 799 S N 0.081 115.771 115.700 -0.016 0.000 2.399 799 S HA -0.104 4.365 4.470 -0.001 0.000 0.231 799 S C 1.957 176.531 174.600 -0.043 0.000 1.022 799 S CA 1.251 59.443 58.200 -0.013 0.000 0.983 799 S CB -0.174 63.059 63.200 0.056 0.000 0.803 799 S HN 0.299 nan 8.310 nan 0.000 0.480 800 Q N 0.008 119.754 119.800 -0.090 0.000 2.444 800 Q HA 0.316 4.655 4.340 -0.001 0.000 0.206 800 Q C 0.408 176.365 176.000 -0.070 0.000 0.948 800 Q CA 0.298 56.027 55.803 -0.123 0.000 0.946 800 Q CB -0.459 28.188 28.738 -0.151 0.000 1.027 800 Q HN 0.785 nan 8.270 nan 0.000 0.513 801 F N 0.445 120.393 119.950 -0.004 0.000 2.647 801 F HA 0.168 4.694 4.527 -0.001 0.000 0.300 801 F C 0.697 176.475 175.800 -0.037 0.000 1.106 801 F CA -0.525 57.464 58.000 -0.019 0.000 1.313 801 F CB 0.859 39.845 39.000 -0.023 0.000 1.007 801 F HN -0.109 nan 8.300 nan 0.000 0.536 802 Q N 0.709 120.575 119.800 0.111 0.000 2.297 802 Q HA 0.264 4.603 4.340 -0.001 0.000 0.268 802 Q C -0.397 175.600 176.000 -0.005 0.000 1.045 802 Q CA -0.569 55.252 55.803 0.030 0.000 0.861 802 Q CB 1.723 30.448 28.738 -0.022 0.000 1.344 802 Q HN 0.300 nan 8.270 nan 0.000 0.452 803 E N 3.336 123.523 120.200 -0.023 0.000 2.257 803 E HA 0.152 4.501 4.350 -0.001 0.000 0.278 803 E C -2.069 174.484 176.600 -0.078 0.000 1.049 803 E CA -1.483 54.890 56.400 -0.044 0.000 0.876 803 E CB 0.565 30.243 29.700 -0.037 0.000 1.035 803 E HN 0.168 nan 8.360 nan 0.000 0.419 804 P HA 0.057 nan 4.420 nan 0.000 0.281 804 P C -0.113 177.094 177.300 -0.155 0.000 1.252 804 P CA 0.032 63.041 63.100 -0.152 0.000 0.778 804 P CB 0.773 32.357 31.700 -0.193 0.000 0.895 805 L N 3.076 124.226 121.223 -0.122 0.000 2.848 805 L HA 0.361 4.700 4.340 -0.001 0.000 0.240 805 L C 0.799 177.598 176.870 -0.118 0.000 1.232 805 L CA 0.281 55.074 54.840 -0.079 0.000 1.031 805 L CB -0.081 41.983 42.059 0.008 0.000 1.338 805 L HN 0.380 nan 8.230 nan 0.000 0.509 806 M N 1.422 120.858 119.600 -0.274 0.000 2.215 806 M HA 0.374 4.854 4.480 -0.001 0.000 0.251 806 M C -1.658 174.350 176.300 -0.486 0.000 0.987 806 M CA 0.152 55.169 55.300 -0.472 0.000 1.025 806 M CB 1.679 33.926 32.600 -0.589 0.000 2.064 806 M HN 0.118 nan 8.290 nan 0.000 0.473 807 E N 3.653 123.514 120.200 -0.565 0.000 2.393 807 E HA 0.574 4.923 4.350 -0.001 0.000 0.273 807 E C -0.763 175.435 176.600 -0.670 0.000 0.918 807 E CA -0.917 54.965 56.400 -0.863 0.000 0.773 807 E CB 1.800 30.560 29.700 -1.568 0.000 1.275 807 E HN 0.639 nan 8.360 nan 0.000 0.451 808 F N 0.192 120.108 119.950 -0.056 0.000 2.943 808 F HA -0.272 4.255 4.527 -0.001 0.000 0.258 808 F C 0.791 176.630 175.800 0.064 0.000 0.995 808 F CA 0.143 58.168 58.000 0.042 0.000 0.896 808 F CB -1.801 37.204 39.000 0.009 0.000 0.821 808 F HN 0.336 nan 8.300 nan 0.000 0.828 809 S N 0.429 116.184 115.700 0.093 0.000 2.634 809 S HA 0.571 5.041 4.470 -0.001 0.000 0.261 809 S C 1.219 175.944 174.600 0.209 0.000 1.271 809 S CA -0.214 58.038 58.200 0.087 0.000 0.985 809 S CB 1.738 64.902 63.200 -0.060 0.000 0.968 809 S HN 0.516 nan 8.310 nan 0.000 0.568 810 G N -0.245 108.694 108.800 0.232 0.000 3.379 810 G HA2 0.488 4.447 3.960 -0.001 0.000 0.253 810 G HA3 0.488 4.447 3.960 -0.001 0.000 0.253 810 G C 0.408 175.461 174.900 0.256 0.000 1.262 810 G CA -0.026 45.220 45.100 0.242 0.000 0.959 810 G HN 1.082 nan 8.290 nan 0.000 0.524 811 A N -0.544 122.389 122.820 0.188 0.000 2.366 811 A HA 0.475 4.795 4.320 -0.001 0.000 0.249 811 A C 0.878 178.580 177.584 0.198 0.000 1.084 811 A CA -0.365 51.716 52.037 0.074 0.000 0.794 811 A CB 0.166 18.878 19.000 -0.478 0.000 1.034 811 A HN 0.377 nan 8.150 nan 0.000 0.491 812 C N 0.511 119.892 119.300 0.136 0.000 2.741 812 C HA 0.309 4.768 4.460 -0.001 0.000 0.403 812 C C 1.559 176.647 174.990 0.164 0.000 1.282 812 C CA -0.106 58.987 59.018 0.126 0.000 2.053 812 C CB -0.185 27.606 27.740 0.085 0.000 2.731 812 C HN 0.897 nan 8.230 nan 0.000 0.680 813 S N 0.779 116.534 115.700 0.093 0.000 2.516 813 S HA 0.404 4.873 4.470 -0.001 0.000 0.282 813 S C 1.181 175.829 174.600 0.080 0.000 1.286 813 S CA 0.830 59.068 58.200 0.062 0.000 1.066 813 S CB -0.265 62.931 63.200 -0.006 0.000 0.884 813 S HN 1.870 nan 8.310 nan 0.000 0.491 814 G N 3.062 111.924 108.800 0.103 0.000 2.159 814 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.256 814 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.256 814 G C 0.629 175.538 174.900 0.016 0.000 0.977 814 G CA -0.030 45.099 45.100 0.049 0.000 0.652 814 G HN 1.182 nan 8.290 nan 0.000 0.531 815 C N 1.421 120.724 119.300 0.005 0.000 2.465 815 C HA 0.431 4.890 4.460 -0.001 0.000 0.402 815 C C 2.216 177.165 174.990 -0.069 0.000 1.448 815 C CA 1.197 60.185 59.018 -0.049 0.000 1.589 815 C CB -0.163 27.491 27.740 -0.144 0.000 2.535 815 C HN 1.116 nan 8.230 nan 0.000 0.600 816 G N 3.499 112.287 108.800 -0.021 0.000 2.813 816 G HA2 0.009 3.969 3.960 -0.001 0.000 0.209 816 G HA3 0.009 3.969 3.960 -0.001 0.000 0.209 816 G C 1.278 176.248 174.900 0.116 0.000 1.150 816 G CA 0.357 45.466 45.100 0.014 0.000 0.785 816 G HN 0.920 nan 8.290 nan 0.000 0.535 817 E N 0.413 120.665 120.200 0.087 0.000 2.075 817 E HA -0.079 4.271 4.350 -0.001 0.000 0.190 817 E C 2.796 179.468 176.600 0.121 0.000 0.969 817 E CA 1.243 57.775 56.400 0.221 0.000 0.815 817 E CB -0.249 29.658 29.700 0.345 0.000 0.776 817 E HN 0.459 nan 8.360 nan 0.000 0.457 818 T N 0.029 114.419 114.554 -0.274 0.000 2.803 818 T HA -0.097 4.253 4.350 -0.001 0.000 0.269 818 T C -1.100 173.411 174.700 -0.314 0.000 1.052 818 T CA 0.768 62.557 62.100 -0.519 0.000 1.136 818 T CB -1.393 66.930 68.868 -0.909 0.000 0.864 818 T HN -0.009 nan 8.240 nan 0.000 0.467 819 P HA -0.018 nan 4.420 nan 0.000 0.216 819 P C 0.910 178.041 177.300 -0.281 0.000 1.153 819 P CA 0.957 63.871 63.100 -0.311 0.000 0.848 819 P CB -0.237 31.247 31.700 -0.360 0.000 0.787 820 Y N -0.864 119.360 120.300 -0.128 0.000 2.145 820 Y HA -0.183 4.366 4.550 -0.001 0.000 0.286 820 Y C 2.403 178.251 175.900 -0.087 0.000 1.145 820 Y CA 0.896 58.954 58.100 -0.070 0.000 1.148 820 Y CB -1.410 37.128 38.460 0.130 0.000 0.981 820 Y HN -0.262 nan 8.280 nan 0.000 0.507 821 V N 0.297 120.261 119.914 0.082 0.000 2.343 821 V HA -0.320 3.799 4.120 -0.001 0.000 0.247 821 V C 2.416 178.496 176.094 -0.023 0.000 1.051 821 V CA 2.157 64.474 62.300 0.027 0.000 1.036 821 V CB -0.657 31.320 31.823 0.256 0.000 0.654 821 V HN 0.337 nan 8.190 nan 0.000 0.451 822 R N -0.005 120.417 120.500 -0.130 0.000 2.083 822 R HA -0.161 4.178 4.340 -0.001 0.000 0.237 822 R C 2.171 178.345 176.300 -0.211 0.000 1.137 822 R CA 1.988 57.968 56.100 -0.200 0.000 0.951 822 R CB -0.392 29.742 30.300 -0.275 0.000 0.851 822 R HN 0.385 nan 8.270 nan 0.000 0.434 823 V N 1.186 120.953 119.914 -0.244 0.000 2.427 823 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 823 V C 2.333 178.273 176.094 -0.257 0.000 1.051 823 V CA 1.785 63.902 62.300 -0.304 0.000 1.048 823 V CB -0.355 31.255 31.823 -0.355 0.000 0.666 823 V HN 0.352 nan 8.190 nan 0.000 0.456 824 I N 1.157 121.608 120.570 -0.199 0.000 2.264 824 I HA -0.256 3.913 4.170 -0.001 0.000 0.248 824 I C 2.703 178.680 176.117 -0.232 0.000 1.111 824 I CA 2.076 63.213 61.300 -0.271 0.000 1.382 824 I CB -0.699 37.099 38.000 -0.337 0.000 1.060 824 I HN 0.529 nan 8.210 nan 0.000 0.418 825 T N -2.030 112.449 114.554 -0.125 0.000 2.962 825 T HA -0.175 4.174 4.350 -0.001 0.000 0.270 825 T C 1.683 176.304 174.700 -0.131 0.000 1.088 825 T CA 0.902 62.962 62.100 -0.066 0.000 1.127 825 T CB -0.276 68.596 68.868 0.006 0.000 0.883 825 T HN 0.413 nan 8.240 nan 0.000 0.493 826 Q N -0.224 119.458 119.800 -0.197 0.000 2.378 826 Q HA 0.208 4.548 4.340 -0.001 0.000 0.205 826 Q C 1.574 177.418 176.000 -0.260 0.000 0.954 826 Q CA 0.554 56.240 55.803 -0.194 0.000 0.901 826 Q CB -0.029 28.591 28.738 -0.195 0.000 0.981 826 Q HN 0.404 nan 8.270 nan 0.000 0.483 827 L N -2.313 118.637 121.223 -0.454 0.000 2.388 827 L HA 0.122 4.461 4.340 -0.001 0.000 0.209 827 L C 0.796 177.192 176.870 -0.791 0.000 1.061 827 L CA 1.217 55.593 54.840 -0.773 0.000 0.834 827 L CB 0.458 41.722 42.059 -1.325 0.000 1.029 827 L HN 0.130 nan 8.230 nan 0.000 0.473 828 F N -2.646 117.289 119.950 -0.024 0.000 2.856 828 F HA 0.340 4.867 4.527 -0.001 0.000 0.338 828 F C 2.072 177.876 175.800 0.005 0.000 1.100 828 F CA 0.171 58.187 58.000 0.026 0.000 1.150 828 F CB -0.613 38.446 39.000 0.098 0.000 1.101 828 F HN -0.071 nan 8.300 nan 0.000 0.548 829 G N 1.811 110.657 108.800 0.076 0.000 2.606 829 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.221 829 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.221 829 G C 1.652 176.585 174.900 0.056 0.000 1.152 829 G CA 1.729 46.863 45.100 0.057 0.000 0.765 829 G HN 0.461 nan 8.290 nan 0.000 0.595 830 E N 1.422 121.653 120.200 0.052 0.000 2.401 830 E HA -0.182 4.167 4.350 -0.001 0.000 0.199 830 E C 1.864 178.487 176.600 0.037 0.000 1.023 830 E CA 1.172 57.593 56.400 0.036 0.000 0.859 830 E CB -0.233 29.489 29.700 0.037 0.000 0.780 830 E HN 0.735 nan 8.360 nan 0.000 0.523 831 R N 0.616 121.165 120.500 0.080 0.000 2.642 831 R HA 0.325 4.664 4.340 -0.001 0.000 0.435 831 R C 0.594 176.952 176.300 0.098 0.000 1.046 831 R CA -0.321 55.826 56.100 0.078 0.000 1.103 831 R CB -0.237 30.144 30.300 0.135 0.000 1.425 831 R HN 0.101 nan 8.270 nan 0.000 0.586 832 M N -0.618 119.021 119.600 0.064 0.000 2.537 832 M HA 0.564 5.044 4.480 -0.001 0.000 0.324 832 M C -1.467 174.802 176.300 -0.051 0.000 1.187 832 M CA -0.678 54.700 55.300 0.131 0.000 0.993 832 M CB 1.412 34.124 32.600 0.186 0.000 1.666 832 M HN -0.197 nan 8.290 nan 0.000 0.461 833 F N 1.786 121.767 119.950 0.052 0.000 2.480 833 F HA 0.691 5.217 4.527 -0.001 0.000 0.329 833 F C -0.376 175.357 175.800 -0.111 0.000 1.091 833 F CA -0.571 57.399 58.000 -0.050 0.000 0.972 833 F CB 1.906 40.860 39.000 -0.078 0.000 1.150 833 F HN 0.471 nan 8.300 nan 0.000 0.467 834 I N 2.642 123.160 120.570 -0.087 0.000 2.468 834 I HA 0.453 4.622 4.170 -0.001 0.000 0.285 834 I C -0.815 175.022 176.117 -0.466 0.000 1.039 834 I CA -0.808 60.273 61.300 -0.366 0.000 1.074 834 I CB 1.802 39.437 38.000 -0.610 0.000 1.228 834 I HN 0.642 nan 8.210 nan 0.000 0.436 835 A N 5.989 128.598 122.820 -0.353 0.000 2.280 835 A HA 0.427 4.746 4.320 -0.001 0.000 0.320 835 A C -0.489 176.900 177.584 -0.325 0.000 1.366 835 A CA -0.488 51.395 52.037 -0.256 0.000 0.938 835 A CB 0.189 19.116 19.000 -0.122 0.000 1.157 835 A HN 0.702 nan 8.150 nan 0.000 0.536 836 N N 2.116 120.492 118.700 -0.540 0.000 2.425 836 N HA 0.501 5.240 4.740 -0.001 0.000 0.268 836 N C -0.017 175.282 175.510 -0.352 0.000 0.991 836 N CA 0.011 52.785 53.050 -0.460 0.000 0.931 836 N CB 1.759 39.844 38.487 -0.671 0.000 1.130 836 N HN 0.691 nan 8.380 nan 0.000 0.493 837 A N 2.616 125.224 122.820 -0.354 0.000 2.386 837 A HA 0.287 4.606 4.320 -0.001 0.000 0.248 837 A C 0.466 178.007 177.584 -0.073 0.000 1.082 837 A CA -0.105 51.753 52.037 -0.297 0.000 0.789 837 A CB 0.030 18.649 19.000 -0.635 0.000 1.025 837 A HN 0.636 nan 8.150 nan 0.000 0.490 838 T N 1.054 115.632 114.554 0.040 0.000 2.940 838 T HA 0.509 4.858 4.350 -0.001 0.000 0.309 838 T C 0.725 175.333 174.700 -0.153 0.000 1.056 838 T CA 1.037 63.106 62.100 -0.052 0.000 1.137 838 T CB 0.583 69.405 68.868 -0.075 0.000 0.976 838 T HN 1.813 nan 8.240 nan 0.000 0.547 839 G N 0.117 108.810 108.800 -0.178 0.000 2.356 839 G HA2 0.067 4.026 3.960 -0.001 0.000 0.288 839 G HA3 0.067 4.026 3.960 -0.001 0.000 0.288 839 G C 0.804 175.633 174.900 -0.117 0.000 1.302 839 G CA -0.286 44.709 45.100 -0.175 0.000 0.887 839 G HN 0.688 nan 8.290 nan 0.000 0.521 840 C N 0.487 119.756 119.300 -0.052 0.000 2.401 840 C HA -0.071 4.389 4.460 -0.001 0.000 0.276 840 C C 3.400 178.149 174.990 -0.401 0.000 1.233 840 C CA 2.772 61.777 59.018 -0.022 0.000 1.753 840 C CB -1.350 26.503 27.740 0.188 0.000 2.029 840 C HN 1.092 nan 8.230 nan 0.000 0.478 841 S N 1.014 116.453 115.700 -0.435 0.000 2.419 841 S HA -0.141 4.329 4.470 -0.001 0.000 0.233 841 S C 1.700 175.841 174.600 -0.766 0.000 1.016 841 S CA 1.665 59.237 58.200 -1.047 0.000 0.974 841 S CB -0.614 62.426 63.200 -0.266 0.000 0.786 841 S HN 0.804 nan 8.310 nan 0.000 0.492 842 S N 1.234 116.780 115.700 -0.255 0.000 2.458 842 S HA 0.175 4.644 4.470 -0.001 0.000 0.223 842 S C 1.754 176.325 174.600 -0.048 0.000 1.019 842 S CA 0.133 58.376 58.200 0.070 0.000 0.937 842 S CB -0.447 62.812 63.200 0.098 0.000 0.788 842 S HN 0.382 nan 8.310 nan 0.000 0.511 843 I N 2.195 122.675 120.570 -0.150 0.000 2.277 843 I HA 0.011 4.180 4.170 -0.001 0.000 0.243 843 I C 2.619 178.751 176.117 0.025 0.000 1.094 843 I CA 0.831 62.102 61.300 -0.049 0.000 1.393 843 I CB -1.704 36.291 38.000 -0.008 0.000 1.078 843 I HN 0.654 nan 8.210 nan 0.000 0.417 844 W N 1.070 122.414 121.300 0.073 0.000 2.584 844 W HA 0.173 4.832 4.660 -0.001 0.000 0.264 844 W C 1.824 178.346 176.519 0.005 0.000 1.264 844 W CA 0.680 58.050 57.345 0.042 0.000 1.306 844 W CB -1.313 28.169 29.460 0.037 0.000 1.110 844 W HN 0.101 nan 8.180 nan 0.000 0.606 845 G N 1.204 109.955 108.800 -0.083 0.000 2.430 845 G HA2 0.150 4.109 3.960 -0.001 0.000 0.216 845 G HA3 0.150 4.109 3.960 -0.001 0.000 0.216 845 G C 1.038 175.712 174.900 -0.375 0.000 1.146 845 G CA 1.117 46.143 45.100 -0.123 0.000 0.793 845 G HN 0.323 nan 8.290 nan 0.000 0.537 846 A N -0.189 122.442 122.820 -0.315 0.000 3.165 846 A HA 0.595 4.915 4.320 -0.001 0.000 0.212 846 A C 0.081 177.577 177.584 -0.147 0.000 0.935 846 A CA -0.258 51.584 52.037 -0.324 0.000 1.100 846 A CB 0.133 18.786 19.000 -0.579 0.000 1.260 846 A HN 0.035 nan 8.150 nan 0.000 0.532 847 S N 1.806 117.462 115.700 -0.073 0.000 2.416 847 S HA 0.525 4.994 4.470 -0.001 0.000 0.287 847 S C 0.822 175.363 174.600 -0.097 0.000 1.139 847 S CA 0.127 58.299 58.200 -0.047 0.000 1.058 847 S CB 0.767 63.981 63.200 0.025 0.000 0.967 847 S HN 1.065 nan 8.310 nan 0.000 0.495 848 A N 5.401 128.100 122.820 -0.202 0.000 2.531 848 A HA 0.307 4.626 4.320 -0.001 0.000 0.236 848 A C -0.933 176.605 177.584 -0.077 0.000 1.062 848 A CA -0.777 51.058 52.037 -0.337 0.000 0.760 848 A CB -0.085 18.625 19.000 -0.485 0.000 0.995 848 A HN 0.637 nan 8.150 nan 0.000 0.501 849 P HA 0.088 nan 4.420 nan 0.000 0.262 849 P C 0.157 177.556 177.300 0.164 0.000 1.304 849 P CA 0.108 63.262 63.100 0.090 0.000 0.859 849 P CB 0.284 32.148 31.700 0.273 0.000 1.310 850 S N 1.420 117.185 115.700 0.109 0.000 2.416 850 S HA 0.417 4.887 4.470 -0.001 0.000 0.287 850 S C 0.150 174.816 174.600 0.110 0.000 1.139 850 S CA -0.477 57.824 58.200 0.168 0.000 1.058 850 S CB -0.410 62.892 63.200 0.168 0.000 0.967 850 S HN -0.104 nan 8.310 nan 0.000 0.495 851 M N 8.270 127.966 119.600 0.160 0.000 2.044 851 M HA 0.321 4.800 4.480 -0.001 0.000 0.333 851 M C -1.854 174.498 176.300 0.087 0.000 1.004 851 M CA -2.686 52.673 55.300 0.099 0.000 0.954 851 M CB 1.194 33.883 32.600 0.149 0.000 1.468 851 M HN 0.413 nan 8.290 nan 0.000 0.414 852 P HA -0.079 nan 4.420 nan 0.000 0.224 852 P C -0.047 177.144 177.300 -0.181 0.000 1.157 852 P CA 0.895 63.943 63.100 -0.086 0.000 0.799 852 P CB 0.143 31.769 31.700 -0.123 0.000 0.809 853 Y N 2.127 122.375 120.300 -0.087 0.000 2.425 853 Y HA 0.120 4.669 4.550 -0.001 0.000 0.331 853 Y C 1.574 177.440 175.900 -0.056 0.000 1.157 853 Y CA 0.369 58.424 58.100 -0.076 0.000 1.372 853 Y CB 0.466 38.868 38.460 -0.097 0.000 1.253 853 Y HN 0.024 nan 8.280 nan 0.000 0.536 854 K N -0.707 119.737 120.400 0.074 0.000 2.399 854 K HA 0.756 5.075 4.320 -0.001 0.000 0.260 854 K C -0.995 175.623 176.600 0.030 0.000 1.049 854 K CA -1.157 55.148 56.287 0.030 0.000 0.890 854 K CB 1.370 33.844 32.500 -0.042 0.000 1.430 854 K HN 0.488 nan 8.250 nan 0.000 0.459 855 T N -1.301 113.262 114.554 0.015 0.000 2.944 855 T HA 0.327 4.676 4.350 -0.001 0.000 0.284 855 T C 0.129 174.826 174.700 -0.006 0.000 1.010 855 T CA -0.819 61.286 62.100 0.008 0.000 1.025 855 T CB 0.745 69.618 68.868 0.009 0.000 1.079 855 T HN 0.738 nan 8.240 nan 0.000 0.516 856 N N 0.427 119.123 118.700 -0.006 0.000 2.443 856 N HA 0.180 4.919 4.740 -0.001 0.000 0.294 856 N C 1.267 176.773 175.510 -0.007 0.000 1.289 856 N CA -1.035 52.008 53.050 -0.011 0.000 0.966 856 N CB 0.213 38.694 38.487 -0.009 0.000 1.122 856 N HN 0.817 nan 8.380 nan 0.000 0.569 857 R N -1.219 119.276 120.500 -0.008 0.000 2.293 857 R HA 0.038 4.378 4.340 -0.001 0.000 0.219 857 R C 0.331 176.630 176.300 -0.002 0.000 1.091 857 R CA 0.798 56.894 56.100 -0.005 0.000 1.004 857 R CB -0.469 29.826 30.300 -0.008 0.000 0.865 857 R HN 0.347 nan 8.270 nan 0.000 0.469 858 L N 0.320 121.543 121.223 -0.001 0.000 2.667 858 L HA 0.308 4.648 4.340 -0.001 0.000 0.232 858 L C 1.070 177.938 176.870 -0.002 0.000 1.138 858 L CA 0.973 55.813 54.840 -0.000 0.000 0.921 858 L CB -0.151 41.910 42.059 0.003 0.000 1.180 858 L HN 0.579 nan 8.230 nan 0.000 0.487 859 G N 0.416 109.215 108.800 -0.002 0.000 2.143 859 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.249 859 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.249 859 G C 0.331 175.226 174.900 -0.009 0.000 0.981 859 G CA -0.008 45.090 45.100 -0.003 0.000 0.665 859 G HN 0.459 nan 8.290 nan 0.000 0.528 860 Q N -0.298 119.497 119.800 -0.008 0.000 2.230 860 Q HA 0.642 4.982 4.340 -0.001 0.000 0.253 860 Q C 0.446 176.441 176.000 -0.009 0.000 0.919 860 Q CA 0.051 55.846 55.803 -0.014 0.000 0.908 860 Q CB 2.048 30.783 28.738 -0.006 0.000 1.245 860 Q HN 0.803 nan 8.270 nan 0.000 0.437 861 G N 1.490 110.278 108.800 -0.019 0.000 2.576 861 G HA2 0.428 4.388 3.960 -0.001 0.000 0.290 861 G HA3 0.428 4.388 3.960 -0.001 0.000 0.290 861 G C -3.080 171.807 174.900 -0.021 0.000 1.442 861 G CA -1.125 43.976 45.100 0.002 0.000 0.792 861 G HN 0.293 nan 8.290 nan 0.000 0.491 862 P HA 0.383 nan 4.420 nan 0.000 0.263 862 P C -0.113 177.142 177.300 -0.074 0.000 1.195 862 P CA 0.211 63.291 63.100 -0.034 0.000 0.762 862 P CB 1.019 32.735 31.700 0.027 0.000 0.799 863 A N 4.130 126.847 122.820 -0.173 0.000 2.343 863 A HA 0.289 4.608 4.320 -0.001 0.000 0.305 863 A C -0.913 176.651 177.584 -0.033 0.000 1.308 863 A CA -0.406 51.544 52.037 -0.144 0.000 0.949 863 A CB -0.473 18.301 19.000 -0.377 0.000 1.148 863 A HN 0.635 nan 8.150 nan 0.000 0.545 864 W N 2.683 123.867 121.300 -0.193 0.000 2.551 864 W HA 0.598 5.258 4.660 -0.001 0.000 0.330 864 W C 0.225 176.701 176.519 -0.070 0.000 1.063 864 W CA 0.192 57.401 57.345 -0.226 0.000 1.222 864 W CB 1.900 31.106 29.460 -0.423 0.000 1.349 864 W HN 0.881 nan 8.180 nan 0.000 0.536 865 G N 3.520 112.071 108.800 -0.414 0.000 2.746 865 G HA2 0.282 4.241 3.960 -0.001 0.000 0.297 865 G HA3 0.282 4.241 3.960 -0.001 0.000 0.297 865 G C -2.218 172.338 174.900 -0.574 0.000 1.426 865 G CA -1.007 43.973 45.100 -0.200 0.000 0.989 865 G HN 0.460 nan 8.290 nan 0.000 0.520 866 N N 0.726 119.190 118.700 -0.393 0.000 2.443 866 N HA 0.491 5.230 4.740 -0.001 0.000 0.269 866 N C 0.726 176.022 175.510 -0.356 0.000 0.985 866 N CA -0.126 52.690 53.050 -0.390 0.000 0.921 866 N CB 2.316 40.698 38.487 -0.175 0.000 1.195 866 N HN 0.326 nan 8.380 nan 0.000 0.492 867 S N 3.421 118.748 115.700 -0.622 0.000 2.291 867 S HA 0.471 4.941 4.470 -0.001 0.000 0.185 867 S C 0.300 174.704 174.600 -0.326 0.000 0.996 867 S CA 0.306 58.071 58.200 -0.725 0.000 0.997 867 S CB -0.172 62.296 63.200 -1.219 0.000 0.899 867 S HN 0.497 nan 8.310 nan 0.000 0.493 868 L N -0.966 120.116 121.223 -0.235 0.000 2.194 868 L HA 0.494 4.833 4.340 -0.001 0.000 0.248 868 L C 0.431 177.338 176.870 0.062 0.000 1.071 868 L CA -0.702 54.101 54.840 -0.062 0.000 0.901 868 L CB 0.724 42.762 42.059 -0.036 0.000 1.497 868 L HN 0.367 nan 8.230 nan 0.000 0.442 869 F N 1.202 121.131 119.950 -0.034 0.000 2.270 869 F HA -0.035 4.492 4.527 -0.001 0.000 0.295 869 F C 2.170 178.063 175.800 0.156 0.000 1.087 869 F CA 1.346 59.365 58.000 0.031 0.000 1.365 869 F CB -0.015 39.015 39.000 0.049 0.000 1.056 869 F HN 0.614 nan 8.300 nan 0.000 0.506 870 E N -0.015 120.223 120.200 0.063 0.000 2.442 870 E HA -0.091 4.259 4.350 -0.001 0.000 0.195 870 E C 0.401 177.063 176.600 0.102 0.000 1.030 870 E CA 1.065 57.450 56.400 -0.026 0.000 0.869 870 E CB -0.644 29.007 29.700 -0.082 0.000 0.857 870 E HN 0.551 nan 8.360 nan 0.000 0.505 871 D N 0.272 120.734 120.400 0.103 0.000 2.479 871 D HA 0.255 4.895 4.640 -0.001 0.000 0.218 871 D C 1.441 177.836 176.300 0.158 0.000 1.177 871 D CA 0.367 54.436 54.000 0.115 0.000 0.830 871 D CB 0.429 41.247 40.800 0.031 0.000 1.014 871 D HN 0.106 nan 8.370 nan 0.000 0.503 872 A N 1.292 124.183 122.820 0.118 0.000 1.903 872 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 872 A C 2.406 180.078 177.584 0.147 0.000 1.191 872 A CA 2.602 54.614 52.037 -0.042 0.000 0.638 872 A CB -0.999 17.589 19.000 -0.688 0.000 0.823 872 A HN 0.407 nan 8.150 nan 0.000 0.451 873 A N -0.417 122.636 122.820 0.388 0.000 1.877 873 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 873 A C 1.880 179.613 177.584 0.248 0.000 1.186 873 A CA 1.953 54.208 52.037 0.363 0.000 0.620 873 A CB -0.594 18.657 19.000 0.419 0.000 0.822 873 A HN 0.563 nan 8.150 nan 0.000 0.443 874 E N -1.432 118.899 120.200 0.218 0.000 2.110 874 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 874 E C 1.807 178.569 176.600 0.269 0.000 0.988 874 E CA 1.361 57.886 56.400 0.208 0.000 0.804 874 E CB -0.432 29.346 29.700 0.131 0.000 0.745 874 E HN 0.728 nan 8.360 nan 0.000 0.458 875 Y N 1.022 121.366 120.300 0.072 0.000 2.145 875 Y HA -0.125 4.425 4.550 -0.001 0.000 0.286 875 Y C 2.345 178.251 175.900 0.010 0.000 1.145 875 Y CA 1.780 59.891 58.100 0.017 0.000 1.148 875 Y CB -0.832 37.603 38.460 -0.040 0.000 0.981 875 Y HN 0.046 nan 8.280 nan 0.000 0.507 876 G N -0.954 107.860 108.800 0.024 0.000 2.408 876 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.217 876 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.217 876 G C 1.684 176.570 174.900 -0.023 0.000 1.150 876 G CA 0.718 45.765 45.100 -0.087 0.000 0.776 876 G HN 0.477 nan 8.290 nan 0.000 0.542 877 F N 2.489 122.405 119.950 -0.057 0.000 2.171 877 F HA 0.033 4.559 4.527 -0.001 0.000 0.300 877 F C 2.508 178.255 175.800 -0.088 0.000 1.090 877 F CA 1.378 59.344 58.000 -0.056 0.000 1.293 877 F CB -0.398 38.600 39.000 -0.003 0.000 1.013 877 F HN 0.109 nan 8.300 nan 0.000 0.486 878 G N 0.162 108.947 108.800 -0.025 0.000 2.402 878 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 878 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 878 G C 1.680 176.429 174.900 -0.252 0.000 1.162 878 G CA 0.945 45.969 45.100 -0.127 0.000 0.777 878 G HN 0.381 nan 8.290 nan 0.000 0.539 879 M N 0.804 120.208 119.600 -0.326 0.000 2.117 879 M HA -0.093 4.386 4.480 -0.001 0.000 0.262 879 M C 2.454 178.463 176.300 -0.484 0.000 1.065 879 M CA 1.386 56.402 55.300 -0.474 0.000 1.114 879 M CB -0.426 31.810 32.600 -0.606 0.000 1.361 879 M HN 0.329 nan 8.290 nan 0.000 0.408 880 N N 0.931 119.390 118.700 -0.402 0.000 2.166 880 N HA -0.152 4.587 4.740 -0.001 0.000 0.186 880 N C 1.606 176.931 175.510 -0.308 0.000 1.019 880 N CA 1.477 54.320 53.050 -0.345 0.000 0.856 880 N CB -0.071 38.228 38.487 -0.313 0.000 0.993 880 N HN 0.396 nan 8.380 nan 0.000 0.426 881 M N 0.111 119.473 119.600 -0.397 0.000 2.117 881 M HA -0.108 4.371 4.480 -0.001 0.000 0.262 881 M C 2.527 178.759 176.300 -0.113 0.000 1.065 881 M CA 1.268 56.392 55.300 -0.294 0.000 1.114 881 M CB -0.308 32.087 32.600 -0.341 0.000 1.361 881 M HN 0.149 nan 8.290 nan 0.000 0.408 882 S N 0.355 115.963 115.700 -0.154 0.000 2.356 882 S HA -0.146 4.323 4.470 -0.001 0.000 0.223 882 S C 1.986 176.544 174.600 -0.070 0.000 1.032 882 S CA 1.192 59.332 58.200 -0.099 0.000 1.005 882 S CB -0.006 63.113 63.200 -0.135 0.000 0.867 882 S HN 0.298 nan 8.310 nan 0.000 0.449 883 M N 0.280 119.802 119.600 -0.130 0.000 2.117 883 M HA -0.019 4.461 4.480 -0.001 0.000 0.262 883 M C 1.977 178.275 176.300 -0.003 0.000 1.065 883 M CA 1.305 56.562 55.300 -0.072 0.000 1.114 883 M CB -1.609 30.913 32.600 -0.129 0.000 1.361 883 M HN 0.520 nan 8.290 nan 0.000 0.408 884 F N 1.117 120.997 119.950 -0.117 0.000 2.069 884 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 884 F C 2.376 178.154 175.800 -0.036 0.000 1.113 884 F CA 1.963 59.914 58.000 -0.082 0.000 1.214 884 F CB -0.441 38.483 39.000 -0.127 0.000 0.978 884 F HN 0.132 nan 8.300 nan 0.000 0.474 885 A N 0.602 123.468 122.820 0.077 0.000 1.877 885 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 885 A C 2.320 179.894 177.584 -0.017 0.000 1.186 885 A CA 1.917 53.964 52.037 0.017 0.000 0.620 885 A CB -0.754 18.286 19.000 0.066 0.000 0.822 885 A HN 0.481 nan 8.150 nan 0.000 0.443 886 R N -0.918 119.589 120.500 0.012 0.000 2.090 886 R HA -0.004 4.336 4.340 -0.001 0.000 0.228 886 R C 2.365 178.688 176.300 0.038 0.000 1.110 886 R CA 1.288 57.419 56.100 0.051 0.000 0.973 886 R CB -0.234 30.087 30.300 0.034 0.000 0.869 886 R HN 0.458 nan 8.270 nan 0.000 0.440 887 R N -0.381 120.122 120.500 0.006 0.000 2.153 887 R HA 0.013 4.352 4.340 -0.001 0.000 0.218 887 R C 1.880 178.197 176.300 0.028 0.000 1.072 887 R CA 1.164 57.303 56.100 0.066 0.000 0.990 887 R CB -0.046 30.312 30.300 0.097 0.000 0.889 887 R HN 0.139 nan 8.270 nan 0.000 0.452 888 T N -0.375 114.091 114.554 -0.147 0.000 2.904 888 T HA -0.150 4.199 4.350 -0.001 0.000 0.267 888 T C 1.549 176.250 174.700 0.002 0.000 1.059 888 T CA 1.094 63.076 62.100 -0.197 0.000 1.137 888 T CB -0.189 68.407 68.868 -0.452 0.000 0.879 888 T HN 0.465 nan 8.240 nan 0.000 0.467 889 H N 0.124 119.145 119.070 -0.082 0.000 2.357 889 H HA -0.030 4.525 4.556 -0.001 0.000 0.301 889 H C 2.326 177.637 175.328 -0.028 0.000 1.082 889 H CA 0.895 56.915 56.048 -0.045 0.000 1.342 889 H CB -0.063 29.676 29.762 -0.039 0.000 1.389 889 H HN 0.163 nan 8.280 nan 0.000 0.511 890 L N 1.205 122.437 121.223 0.015 0.000 2.017 890 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 890 L C 2.578 179.432 176.870 -0.026 0.000 1.073 890 L CA 2.015 56.795 54.840 -0.100 0.000 0.745 890 L CB -1.135 40.853 42.059 -0.118 0.000 0.894 890 L HN 0.348 nan 8.230 nan 0.000 0.432 891 A N -0.762 122.148 122.820 0.151 0.000 1.940 891 A HA -0.296 4.023 4.320 -0.001 0.000 0.219 891 A C 2.085 179.738 177.584 0.117 0.000 1.176 891 A CA 1.940 54.131 52.037 0.257 0.000 0.631 891 A CB -1.082 18.059 19.000 0.234 0.000 0.814 891 A HN 0.626 nan 8.150 nan 0.000 0.446 892 D N -0.556 119.895 120.400 0.085 0.000 2.097 892 D HA -0.134 4.506 4.640 -0.001 0.000 0.195 892 D C 1.663 177.996 176.300 0.056 0.000 0.989 892 D CA 1.186 55.227 54.000 0.068 0.000 0.827 892 D CB -0.171 40.679 40.800 0.085 0.000 0.966 892 D HN 0.206 nan 8.370 nan 0.000 0.456 893 L N 0.628 121.882 121.223 0.050 0.000 2.083 893 L HA 0.044 4.383 4.340 -0.001 0.000 0.209 893 L C 2.506 179.363 176.870 -0.022 0.000 1.083 893 L CA 1.602 56.445 54.840 0.005 0.000 0.752 893 L CB -1.311 40.719 42.059 -0.049 0.000 0.899 893 L HN 0.104 nan 8.230 nan 0.000 0.433 894 A N -0.516 122.285 122.820 -0.033 0.000 1.883 894 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 894 A C 2.518 180.105 177.584 0.006 0.000 1.186 894 A CA 2.035 54.053 52.037 -0.032 0.000 0.624 894 A CB -1.000 18.008 19.000 0.014 0.000 0.822 894 A HN 0.390 nan 8.150 nan 0.000 0.444 895 A N -0.372 122.466 122.820 0.029 0.000 1.908 895 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 895 A C 2.121 179.710 177.584 0.008 0.000 1.181 895 A CA 1.953 54.002 52.037 0.021 0.000 0.627 895 A CB -0.476 18.539 19.000 0.024 0.000 0.818 895 A HN 0.559 nan 8.150 nan 0.000 0.445 896 K N -0.466 119.939 120.400 0.008 0.000 2.097 896 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 896 K C 2.190 178.787 176.600 -0.004 0.000 1.049 896 K CA 1.099 57.388 56.287 0.004 0.000 0.933 896 K CB -0.296 32.209 32.500 0.008 0.000 0.717 896 K HN 0.453 nan 8.250 nan 0.000 0.442 897 A N 0.996 123.810 122.820 -0.011 0.000 2.067 897 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 897 A C 1.949 179.525 177.584 -0.014 0.000 1.158 897 A CA 0.988 53.015 52.037 -0.017 0.000 0.661 897 A CB -0.401 18.579 19.000 -0.033 0.000 0.801 897 A HN 0.169 nan 8.150 nan 0.000 0.452 898 L N -0.824 120.393 121.223 -0.009 0.000 2.291 898 L HA -0.045 4.294 4.340 -0.001 0.000 0.214 898 L C 1.192 178.058 176.870 -0.006 0.000 1.120 898 L CA 0.811 55.647 54.840 -0.008 0.000 0.799 898 L CB -0.153 41.903 42.059 -0.006 0.000 0.925 898 L HN 0.416 nan 8.230 nan 0.000 0.446 899 E N -0.216 119.981 120.200 -0.005 0.000 2.511 899 E HA 0.097 4.446 4.350 -0.001 0.000 0.214 899 E C 0.115 176.712 176.600 -0.004 0.000 1.062 899 E CA -0.204 56.193 56.400 -0.004 0.000 1.213 899 E CB 0.483 30.181 29.700 -0.003 0.000 1.214 899 E HN 0.351 nan 8.360 nan 0.000 0.441 900 S N -0.190 115.507 115.700 -0.006 0.000 2.900 900 S HA 0.227 4.697 4.470 -0.001 0.000 0.320 900 S C 0.013 174.609 174.600 -0.006 0.000 1.130 900 S CA -0.859 57.338 58.200 -0.006 0.000 0.863 900 S CB 1.097 64.292 63.200 -0.007 0.000 1.295 900 S HN 0.067 nan 8.310 nan 0.000 0.596 901 D N 0.379 120.776 120.400 -0.006 0.000 2.561 901 D HA 0.418 5.058 4.640 -0.001 0.000 0.232 901 D C 0.573 176.870 176.300 -0.005 0.000 1.198 901 D CA -0.357 53.640 54.000 -0.005 0.000 0.826 901 D CB -0.506 40.291 40.800 -0.004 0.000 0.992 901 D HN 0.741 nan 8.370 nan 0.000 0.490 902 A N 0.767 123.582 122.820 -0.007 0.000 2.483 902 A HA 0.418 4.737 4.320 -0.001 0.000 0.238 902 A C 0.989 178.570 177.584 -0.005 0.000 1.070 902 A CA -0.201 51.831 52.037 -0.008 0.000 0.770 902 A CB 0.132 19.124 19.000 -0.013 0.000 1.008 902 A HN 0.453 nan 8.150 nan 0.000 0.497 903 S N 1.466 117.163 115.700 -0.004 0.000 2.563 903 S HA 0.242 4.711 4.470 -0.001 0.000 0.269 903 S C 1.416 176.017 174.600 0.002 0.000 1.364 903 S CA -0.037 58.163 58.200 -0.000 0.000 1.010 903 S CB 0.420 63.621 63.200 0.001 0.000 0.877 903 S HN 1.477 nan 8.310 nan 0.000 0.549 904 G N 0.661 109.464 108.800 0.005 0.000 2.418 904 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.217 904 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.217 904 G C 0.937 175.845 174.900 0.014 0.000 1.158 904 G CA 0.869 45.973 45.100 0.008 0.000 0.771 904 G HN 0.764 nan 8.290 nan 0.000 0.545 905 D N 0.113 120.522 120.400 0.015 0.000 2.117 905 D HA -0.077 4.562 4.640 -0.001 0.000 0.197 905 D C 2.758 179.073 176.300 0.026 0.000 0.987 905 D CA 0.590 54.605 54.000 0.024 0.000 0.829 905 D CB -0.411 40.401 40.800 0.020 0.000 0.961 905 D HN 0.193 nan 8.370 nan 0.000 0.460 906 V N 0.959 120.880 119.914 0.011 0.000 2.343 906 V HA -0.222 3.898 4.120 -0.001 0.000 0.247 906 V C 2.292 178.386 176.094 -0.001 0.000 1.051 906 V CA 1.522 63.822 62.300 0.001 0.000 1.036 906 V CB -0.290 31.526 31.823 -0.011 0.000 0.654 906 V HN 0.184 nan 8.190 nan 0.000 0.451 907 K N -0.313 120.087 120.400 -0.000 0.000 2.057 907 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 907 K C 2.174 178.773 176.600 -0.001 0.000 1.049 907 K CA 1.582 57.867 56.287 -0.005 0.000 0.931 907 K CB -0.184 32.313 32.500 -0.004 0.000 0.714 907 K HN 0.534 nan 8.250 nan 0.000 0.440 908 E N 0.453 120.663 120.200 0.016 0.000 2.058 908 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 908 E C 2.053 178.677 176.600 0.040 0.000 0.997 908 E CA 1.177 57.595 56.400 0.029 0.000 0.801 908 E CB -0.085 29.652 29.700 0.063 0.000 0.746 908 E HN 0.333 nan 8.360 nan 0.000 0.450 909 A N 0.944 123.822 122.820 0.096 0.000 1.898 909 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 909 A C 2.172 179.794 177.584 0.062 0.000 1.181 909 A CA 0.927 53.077 52.037 0.190 0.000 0.620 909 A CB -0.563 18.529 19.000 0.153 0.000 0.819 909 A HN 0.129 nan 8.150 nan 0.000 0.442 910 L N -1.033 120.194 121.223 0.007 0.000 2.046 910 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 910 L C 2.874 179.755 176.870 0.019 0.000 1.077 910 L CA 1.747 56.591 54.840 0.007 0.000 0.747 910 L CB -0.476 41.569 42.059 -0.023 0.000 0.896 910 L HN 0.460 nan 8.230 nan 0.000 0.432 911 Q N 0.448 120.216 119.800 -0.053 0.000 2.084 911 Q HA -0.146 4.194 4.340 -0.001 0.000 0.202 911 Q C 2.081 177.934 176.000 -0.246 0.000 0.978 911 Q CA 2.093 57.834 55.803 -0.103 0.000 0.844 911 Q CB -0.668 28.014 28.738 -0.093 0.000 0.898 911 Q HN 0.401 nan 8.270 nan 0.000 0.426 912 G N -0.736 107.768 108.800 -0.493 0.000 2.418 912 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 912 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 912 G C 1.202 175.633 174.900 -0.781 0.000 1.158 912 G CA 0.633 45.019 45.100 -1.190 0.000 0.771 912 G HN 0.567 nan 8.290 nan 0.000 0.545 913 W N 1.121 122.123 121.300 -0.498 0.000 2.358 913 W HA 0.032 4.692 4.660 -0.001 0.000 0.303 913 W C 2.294 178.717 176.519 -0.160 0.000 1.208 913 W CA 1.108 58.340 57.345 -0.190 0.000 1.274 913 W CB -0.249 29.122 29.460 -0.148 0.000 1.138 913 W HN 0.113 nan 8.180 nan 0.000 0.515 914 L N 0.403 121.605 121.223 -0.036 0.000 2.083 914 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 914 L C 2.661 179.345 176.870 -0.310 0.000 1.083 914 L CA 1.447 56.187 54.840 -0.166 0.000 0.752 914 L CB -1.134 40.937 42.059 0.020 0.000 0.899 914 L HN 0.130 nan 8.230 nan 0.000 0.433 915 A N -0.395 122.261 122.820 -0.274 0.000 1.929 915 A HA -0.017 4.302 4.320 -0.001 0.000 0.216 915 A C 2.066 179.498 177.584 -0.254 0.000 1.176 915 A CA 1.443 53.340 52.037 -0.233 0.000 0.628 915 A CB -0.707 18.171 19.000 -0.203 0.000 0.816 915 A HN 0.417 nan 8.150 nan 0.000 0.444 916 G N -1.008 107.606 108.800 -0.310 0.000 3.434 916 G HA2 0.168 4.127 3.960 -0.001 0.000 0.258 916 G HA3 0.168 4.127 3.960 -0.001 0.000 0.258 916 G C 1.036 175.699 174.900 -0.395 0.000 1.128 916 G CA 0.509 45.461 45.100 -0.247 0.000 0.792 916 G HN 0.508 nan 8.290 nan 0.000 0.539 917 K N 0.959 120.962 120.400 -0.662 0.000 2.071 917 K HA -0.195 4.124 4.320 -0.001 0.000 0.217 917 K C 1.255 177.583 176.600 -0.453 0.000 1.054 917 K CA 1.708 57.437 56.287 -0.930 0.000 0.937 917 K CB 0.043 32.002 32.500 -0.902 0.000 0.719 917 K HN 0.222 nan 8.250 nan 0.000 0.454 918 N N 0.946 119.480 118.700 -0.277 0.000 2.251 918 N HA -0.023 4.716 4.740 -0.001 0.000 0.217 918 N C -0.914 174.539 175.510 -0.095 0.000 1.124 918 N CA 0.185 53.148 53.050 -0.146 0.000 0.843 918 N CB 0.473 38.890 38.487 -0.117 0.000 1.024 918 N HN 0.232 nan 8.380 nan 0.000 0.501 919 D N 0.545 120.885 120.400 -0.101 0.000 2.349 919 D HA 0.274 4.913 4.640 -0.001 0.000 0.232 919 D C -1.765 174.537 176.300 0.003 0.000 1.071 919 D CA -2.242 51.733 54.000 -0.041 0.000 0.832 919 D CB 2.209 42.984 40.800 -0.042 0.000 1.086 919 D HN -0.127 nan 8.370 nan 0.000 0.504 920 P HA -0.164 nan 4.420 nan 0.000 0.215 920 P C 1.520 178.872 177.300 0.086 0.000 1.157 920 P CA 0.872 64.021 63.100 0.081 0.000 0.874 920 P CB 0.311 32.075 31.700 0.107 0.000 0.790 921 I N -0.922 119.691 120.570 0.073 0.000 2.162 921 I HA -0.162 4.007 4.170 -0.001 0.000 0.238 921 I C 2.035 178.197 176.117 0.075 0.000 1.076 921 I CA 1.663 63.004 61.300 0.069 0.000 1.353 921 I CB -1.431 36.603 38.000 0.057 0.000 1.063 921 I HN -0.031 nan 8.210 nan 0.000 0.408 922 K N 1.235 121.685 120.400 0.083 0.000 2.097 922 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 922 K C 2.256 178.976 176.600 0.201 0.000 1.050 922 K CA 1.588 57.968 56.287 0.155 0.000 0.938 922 K CB -0.610 31.976 32.500 0.143 0.000 0.718 922 K HN 0.464 nan 8.250 nan 0.000 0.442 923 S N 1.086 116.842 115.700 0.092 0.000 2.382 923 S HA -0.158 4.311 4.470 -0.001 0.000 0.228 923 S C 2.101 176.878 174.600 0.295 0.000 1.027 923 S CA 1.336 59.607 58.200 0.118 0.000 0.991 923 S CB -0.103 63.120 63.200 0.039 0.000 0.823 923 S HN 0.289 nan 8.310 nan 0.000 0.469 924 K N 1.230 121.751 120.400 0.201 0.000 2.062 924 K HA -0.046 4.273 4.320 -0.001 0.000 0.205 924 K C 2.396 179.075 176.600 0.131 0.000 1.051 924 K CA 1.177 57.574 56.287 0.183 0.000 0.941 924 K CB -0.264 32.313 32.500 0.128 0.000 0.719 924 K HN 0.586 nan 8.250 nan 0.000 0.440 925 E N -0.350 119.891 120.200 0.067 0.000 2.033 925 E HA -0.235 4.115 4.350 -0.001 0.000 0.199 925 E C 1.727 178.238 176.600 -0.149 0.000 1.011 925 E CA 1.697 58.045 56.400 -0.086 0.000 0.815 925 E CB -0.156 29.423 29.700 -0.202 0.000 0.755 925 E HN 0.418 nan 8.360 nan 0.000 0.451 926 Y N -0.381 119.979 120.300 0.098 0.000 2.337 926 Y HA 0.042 4.592 4.550 -0.001 0.000 0.293 926 Y C 2.365 178.303 175.900 0.064 0.000 1.123 926 Y CA 0.841 58.996 58.100 0.093 0.000 1.201 926 Y CB -0.396 38.142 38.460 0.130 0.000 1.011 926 Y HN 0.183 nan 8.280 nan 0.000 0.545 927 G N -0.035 108.926 108.800 0.268 0.000 2.418 927 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 927 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 927 G C 1.171 176.177 174.900 0.176 0.000 1.158 927 G CA 1.342 46.505 45.100 0.105 0.000 0.771 927 G HN 0.260 nan 8.290 nan 0.000 0.545 928 D N 0.532 121.025 120.400 0.156 0.000 2.144 928 D HA -0.033 4.606 4.640 -0.001 0.000 0.199 928 D C 2.473 178.812 176.300 0.066 0.000 0.984 928 D CA 0.769 54.835 54.000 0.110 0.000 0.834 928 D CB -0.093 40.745 40.800 0.062 0.000 0.955 928 D HN 0.308 nan 8.370 nan 0.000 0.465 929 K N 0.065 120.484 120.400 0.032 0.000 2.057 929 K HA -0.015 4.304 4.320 -0.001 0.000 0.206 929 K C 2.249 178.865 176.600 0.026 0.000 1.050 929 K CA 0.512 56.810 56.287 0.018 0.000 0.935 929 K CB -0.097 32.411 32.500 0.013 0.000 0.715 929 K HN 0.143 nan 8.250 nan 0.000 0.439 930 L N 1.162 122.385 121.223 -0.001 0.000 2.083 930 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 930 L C 2.224 179.140 176.870 0.076 0.000 1.083 930 L CA 1.310 56.123 54.840 -0.046 0.000 0.752 930 L CB -0.290 41.572 42.059 -0.328 0.000 0.899 930 L HN 0.138 nan 8.230 nan 0.000 0.433 931 K N 0.049 120.552 120.400 0.172 0.000 2.097 931 K HA -0.186 4.133 4.320 -0.001 0.000 0.206 931 K C 2.107 178.752 176.600 0.075 0.000 1.049 931 K CA 1.303 57.690 56.287 0.167 0.000 0.933 931 K CB -0.014 32.574 32.500 0.148 0.000 0.717 931 K HN 0.312 nan 8.250 nan 0.000 0.442 932 K N 0.710 121.143 120.400 0.054 0.000 2.021 932 K HA -0.009 4.310 4.320 -0.001 0.000 0.205 932 K C 2.129 178.743 176.600 0.023 0.000 1.047 932 K CA 0.865 57.170 56.287 0.030 0.000 0.943 932 K CB -0.112 32.402 32.500 0.022 0.000 0.725 932 K HN 0.019 nan 8.250 nan 0.000 0.439 933 L N 1.040 122.275 121.223 0.021 0.000 2.127 933 L HA -0.163 4.177 4.340 -0.001 0.000 0.211 933 L C 1.902 178.779 176.870 0.010 0.000 1.089 933 L CA 1.086 55.934 54.840 0.013 0.000 0.757 933 L CB -0.272 41.793 42.059 0.009 0.000 0.899 933 L HN 0.175 nan 8.230 nan 0.000 0.434 934 L N -0.540 120.694 121.223 0.018 0.000 2.667 934 L HA 0.282 4.622 4.340 -0.001 0.000 0.232 934 L C 1.101 177.980 176.870 0.015 0.000 1.138 934 L CA -0.653 54.196 54.840 0.015 0.000 0.921 934 L CB -0.209 41.864 42.059 0.022 0.000 1.180 934 L HN 0.053 nan 8.230 nan 0.000 0.487 935 A N 0.570 123.399 122.820 0.016 0.000 2.566 935 A HA 0.346 4.665 4.320 -0.001 0.000 0.245 935 A C 1.486 179.071 177.584 0.001 0.000 1.056 935 A CA 0.965 53.007 52.037 0.009 0.000 0.757 935 A CB -0.314 18.691 19.000 0.009 0.000 0.979 935 A HN 0.639 nan 8.150 nan 0.000 0.508 936 G N 0.959 109.757 108.800 -0.004 0.000 2.199 936 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.254 936 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.254 936 G C 0.398 175.294 174.900 -0.007 0.000 0.982 936 G CA 0.632 45.728 45.100 -0.006 0.000 0.632 936 G HN 1.227 nan 8.290 nan 0.000 0.529 937 Q N 0.396 120.192 119.800 -0.007 0.000 2.286 937 Q HA 0.647 4.986 4.340 -0.001 0.000 0.267 937 Q C 0.896 176.888 176.000 -0.013 0.000 1.028 937 Q CA 0.539 56.337 55.803 -0.009 0.000 0.901 937 Q CB 0.940 29.673 28.738 -0.008 0.000 1.183 937 Q HN 0.232 nan 8.270 nan 0.000 0.392 938 K N 1.680 122.073 120.400 -0.013 0.000 2.477 938 K HA 0.268 4.587 4.320 -0.001 0.000 0.208 938 K C -1.088 175.504 176.600 -0.013 0.000 1.117 938 K CA -0.057 56.221 56.287 -0.015 0.000 1.039 938 K CB 0.828 33.320 32.500 -0.013 0.000 0.937 938 K HN 0.566 nan 8.250 nan 0.000 0.570 939 D N 0.207 120.600 120.400 -0.012 0.000 2.181 939 D HA 0.472 5.111 4.640 -0.001 0.000 0.248 939 D C 0.942 177.235 176.300 -0.011 0.000 1.020 939 D CA 0.363 54.357 54.000 -0.010 0.000 0.891 939 D CB 1.320 42.115 40.800 -0.008 0.000 1.187 939 D HN 0.158 nan 8.370 nan 0.000 0.443 940 G N 0.631 109.425 108.800 -0.009 0.000 2.582 940 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.300 940 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.300 940 G C 0.956 175.848 174.900 -0.013 0.000 1.300 940 G CA 0.375 45.470 45.100 -0.009 0.000 0.959 940 G HN 0.505 nan 8.290 nan 0.000 0.548 941 L N -0.943 120.273 121.223 -0.013 0.000 1.990 941 L HA -0.026 4.313 4.340 -0.001 0.000 0.213 941 L C 2.876 179.728 176.870 -0.031 0.000 1.072 941 L CA 2.716 57.544 54.840 -0.019 0.000 0.755 941 L CB -0.855 41.195 42.059 -0.016 0.000 0.889 941 L HN 0.533 nan 8.230 nan 0.000 0.432 942 L N -0.275 120.932 121.223 -0.027 0.000 2.191 942 L HA -0.082 4.257 4.340 -0.001 0.000 0.212 942 L C 2.473 179.326 176.870 -0.027 0.000 1.103 942 L CA 1.806 56.628 54.840 -0.030 0.000 0.769 942 L CB -1.760 40.286 42.059 -0.022 0.000 0.908 942 L HN 0.397 nan 8.230 nan 0.000 0.438 943 G N -1.784 107.001 108.800 -0.025 0.000 2.402 943 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 943 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 943 G C 1.501 176.379 174.900 -0.037 0.000 1.162 943 G CA 0.304 45.389 45.100 -0.025 0.000 0.777 943 G HN 0.422 nan 8.290 nan 0.000 0.539 944 Q N -0.200 119.574 119.800 -0.045 0.000 2.079 944 Q HA 0.030 4.369 4.340 -0.001 0.000 0.200 944 Q C 2.603 178.549 176.000 -0.090 0.000 0.974 944 Q CA 0.919 56.680 55.803 -0.070 0.000 0.840 944 Q CB -0.186 28.508 28.738 -0.075 0.000 0.898 944 Q HN 0.504 nan 8.270 nan 0.000 0.430 945 I N 0.731 121.255 120.570 -0.077 0.000 2.286 945 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 945 I C 2.410 178.537 176.117 0.016 0.000 1.115 945 I CA 0.906 62.168 61.300 -0.064 0.000 1.392 945 I CB -0.415 37.533 38.000 -0.088 0.000 1.065 945 I HN 0.160 nan 8.210 nan 0.000 0.418 946 A N 0.766 123.588 122.820 0.003 0.000 1.933 946 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 946 A C 2.429 179.977 177.584 -0.060 0.000 1.175 946 A CA 1.710 53.756 52.037 0.016 0.000 0.628 946 A CB -0.656 18.342 19.000 -0.002 0.000 0.814 946 A HN 0.433 nan 8.150 nan 0.000 0.444 947 A N -1.190 121.584 122.820 -0.077 0.000 2.206 947 A HA 0.243 4.562 4.320 -0.001 0.000 0.211 947 A C 1.632 179.125 177.584 -0.151 0.000 1.158 947 A CA 0.878 52.854 52.037 -0.102 0.000 0.761 947 A CB -0.474 18.480 19.000 -0.077 0.000 0.801 947 A HN 0.503 nan 8.150 nan 0.000 0.473 948 M N 0.077 119.566 119.600 -0.185 0.000 2.655 948 M HA 0.042 4.521 4.480 -0.001 0.000 0.311 948 M C 1.670 177.656 176.300 -0.523 0.000 1.229 948 M CA 0.422 55.582 55.300 -0.232 0.000 0.972 948 M CB 0.258 32.764 32.600 -0.157 0.000 1.366 948 M HN 0.497 nan 8.290 nan 0.000 0.500 949 S N 0.662 115.909 115.700 -0.755 0.000 2.400 949 S HA -0.184 4.285 4.470 -0.001 0.000 0.232 949 S C 1.315 175.417 174.600 -0.831 0.000 1.025 949 S CA 1.781 59.126 58.200 -1.425 0.000 0.993 949 S CB -0.460 62.294 63.200 -0.743 0.000 0.808 949 S HN 0.631 nan 8.310 nan 0.000 0.478 950 D N 1.093 121.255 120.400 -0.398 0.000 2.352 950 D HA 0.023 4.662 4.640 -0.001 0.000 0.232 950 D C 1.265 177.514 176.300 -0.085 0.000 1.055 950 D CA 0.247 54.135 54.000 -0.186 0.000 0.891 950 D CB -0.441 40.293 40.800 -0.109 0.000 0.897 950 D HN 0.528 nan 8.370 nan 0.000 0.529 951 L N -1.274 119.877 121.223 -0.120 0.000 2.766 951 L HA 0.203 4.542 4.340 -0.001 0.000 0.242 951 L C 1.638 178.668 176.870 0.267 0.000 1.136 951 L CA -0.355 54.528 54.840 0.070 0.000 0.933 951 L CB -0.085 42.002 42.059 0.046 0.000 1.241 951 L HN -0.024 nan 8.230 nan 0.000 0.522 952 Y N 1.109 121.457 120.300 0.080 0.000 2.070 952 Y HA -0.180 4.369 4.550 -0.001 0.000 0.280 952 Y C 1.938 178.105 175.900 0.445 0.000 1.148 952 Y CA 0.995 59.213 58.100 0.197 0.000 1.125 952 Y CB -0.322 38.171 38.460 0.054 0.000 0.975 952 Y HN 0.187 nan 8.280 nan 0.000 0.492 953 T N 0.574 115.387 114.554 0.432 0.000 2.884 953 T HA 0.153 4.502 4.350 -0.001 0.000 0.298 953 T C -0.409 174.439 174.700 0.248 0.000 0.998 953 T CA -1.056 61.230 62.100 0.311 0.000 1.124 953 T CB 1.407 70.403 68.868 0.215 0.000 0.931 953 T HN -0.021 nan 8.240 nan 0.000 0.531 954 K N 3.121 123.632 120.400 0.186 0.000 2.491 954 K HA 0.082 4.401 4.320 -0.001 0.000 0.279 954 K C 0.072 176.763 176.600 0.151 0.000 1.026 954 K CA 0.340 56.707 56.287 0.133 0.000 1.070 954 K CB 0.248 32.784 32.500 0.061 0.000 0.887 954 K HN 0.503 nan 8.250 nan 0.000 0.481 955 K N 2.152 122.656 120.400 0.173 0.000 2.090 955 K HA 0.254 4.573 4.320 -0.001 0.000 0.249 955 K C -0.499 176.215 176.600 0.191 0.000 0.995 955 K CA -0.550 55.876 56.287 0.231 0.000 0.914 955 K CB 1.686 34.428 32.500 0.403 0.000 1.057 955 K HN 0.553 nan 8.250 nan 0.000 0.462 956 S N 0.903 116.755 115.700 0.253 0.000 2.669 956 S HA 0.291 4.760 4.470 -0.001 0.000 0.315 956 S C -0.938 173.852 174.600 0.318 0.000 1.106 956 S CA -0.690 57.638 58.200 0.213 0.000 1.107 956 S CB 0.387 63.757 63.200 0.284 0.000 0.990 956 S HN 0.232 nan 8.310 nan 0.000 0.471 957 V N 6.072 126.048 119.914 0.104 0.000 2.408 957 V HA 0.410 4.529 4.120 -0.001 0.000 0.267 957 V C -0.622 175.448 176.094 -0.040 0.000 1.047 957 V CA -0.289 62.062 62.300 0.086 0.000 0.937 957 V CB 0.124 31.900 31.823 -0.080 0.000 0.999 957 V HN 0.822 nan 8.190 nan 0.000 0.472 958 W N 4.838 126.140 121.300 0.003 0.000 2.689 958 W HA 0.731 5.390 4.660 -0.001 0.000 0.340 958 W C -0.371 176.118 176.519 -0.051 0.000 1.060 958 W CA -0.622 56.739 57.345 0.026 0.000 1.218 958 W CB 1.502 30.974 29.460 0.021 0.000 1.410 958 W HN 0.320 nan 8.180 nan 0.000 0.528 959 I N 3.517 124.288 120.570 0.336 0.000 2.382 959 I HA 0.314 4.483 4.170 -0.001 0.000 0.285 959 I C -0.753 175.644 176.117 0.467 0.000 1.007 959 I CA -0.576 60.845 61.300 0.202 0.000 1.142 959 I CB 0.635 38.740 38.000 0.174 0.000 1.289 959 I HN 0.207 nan 8.210 nan 0.000 0.453 960 F N 4.052 124.041 119.950 0.065 0.000 2.421 960 F HA 0.761 5.287 4.527 -0.001 0.000 0.337 960 F C 0.859 176.572 175.800 -0.145 0.000 1.105 960 F CA -0.737 57.348 58.000 0.142 0.000 1.049 960 F CB 2.158 41.292 39.000 0.223 0.000 1.139 960 F HN 0.497 nan 8.300 nan 0.000 0.479 961 G N 1.258 110.151 108.800 0.155 0.000 2.601 961 G HA2 0.484 4.444 3.960 -0.001 0.000 0.291 961 G HA3 0.484 4.444 3.960 -0.001 0.000 0.291 961 G C -1.243 173.878 174.900 0.368 0.000 1.456 961 G CA -0.594 44.556 45.100 0.082 0.000 0.804 961 G HN 0.879 nan 8.290 nan 0.000 0.499 962 G N -1.130 107.928 108.800 0.429 0.000 2.537 962 G HA2 0.478 4.437 3.960 -0.001 0.000 0.297 962 G HA3 0.478 4.437 3.960 -0.001 0.000 0.297 962 G C 0.811 175.990 174.900 0.465 0.000 1.310 962 G CA 0.533 45.852 45.100 0.365 0.000 1.027 962 G HN 0.664 nan 8.290 nan 0.000 0.505 963 D N -0.768 119.831 120.400 0.332 0.000 2.144 963 D HA -0.087 4.552 4.640 -0.001 0.000 0.200 963 D C 2.181 178.703 176.300 0.370 0.000 0.978 963 D CA 1.215 55.402 54.000 0.313 0.000 0.833 963 D CB -0.705 40.078 40.800 -0.030 0.000 0.961 963 D HN 0.470 nan 8.370 nan 0.000 0.470 964 G N 0.503 109.545 108.800 0.404 0.000 2.446 964 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.217 964 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.217 964 G C 1.405 176.504 174.900 0.332 0.000 1.168 964 G CA 0.856 46.223 45.100 0.444 0.000 0.771 964 G HN 0.435 nan 8.290 nan 0.000 0.551 965 W N 1.851 123.311 121.300 0.266 0.000 2.354 965 W HA 0.117 4.777 4.660 -0.001 0.000 0.315 965 W C 2.655 179.239 176.519 0.107 0.000 1.206 965 W CA 2.345 59.723 57.345 0.055 0.000 1.290 965 W CB -0.463 29.123 29.460 0.212 0.000 1.152 965 W HN 0.238 nan 8.180 nan 0.000 0.489 966 A N -0.816 121.856 122.820 -0.246 0.000 1.898 966 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 966 A C 1.786 179.228 177.584 -0.237 0.000 1.181 966 A CA 1.729 53.409 52.037 -0.595 0.000 0.620 966 A CB -1.276 17.652 19.000 -0.120 0.000 0.819 966 A HN 0.516 nan 8.150 nan 0.000 0.442 967 Y N -0.286 119.919 120.300 -0.159 0.000 2.503 967 Y HA 0.089 4.639 4.550 -0.001 0.000 0.278 967 Y C 1.530 177.337 175.900 -0.156 0.000 1.111 967 Y CA 0.465 58.445 58.100 -0.200 0.000 1.270 967 Y CB 0.046 38.452 38.460 -0.090 0.000 1.063 967 Y HN 0.305 nan 8.280 nan 0.000 0.548 968 D N -0.867 119.605 120.400 0.121 0.000 2.970 968 D HA 0.036 4.675 4.640 -0.001 0.000 0.236 968 D C 2.022 178.311 176.300 -0.018 0.000 1.415 968 D CA -0.046 54.022 54.000 0.114 0.000 1.279 968 D CB -0.777 40.210 40.800 0.312 0.000 0.932 968 D HN 0.045 nan 8.370 nan 0.000 0.216 969 I N 0.884 121.379 120.570 -0.125 0.000 2.208 969 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 969 I C 1.614 177.549 176.117 -0.303 0.000 1.097 969 I CA 1.812 62.928 61.300 -0.307 0.000 1.363 969 I CB 0.023 37.666 38.000 -0.596 0.000 1.051 969 I HN 0.164 nan 8.210 nan 0.000 0.413 970 G N -1.630 106.924 108.800 -0.410 0.000 3.088 970 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.217 970 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.217 970 G C 1.139 175.780 174.900 -0.431 0.000 1.159 970 G CA -0.137 44.719 45.100 -0.407 0.000 0.760 970 G HN 0.423 nan 8.290 nan 0.000 0.550 971 Y N 2.136 122.163 120.300 -0.454 0.000 2.165 971 Y HA -0.122 4.427 4.550 -0.001 0.000 0.286 971 Y C 2.491 178.256 175.900 -0.225 0.000 1.155 971 Y CA 1.603 59.489 58.100 -0.357 0.000 1.164 971 Y CB -0.486 37.826 38.460 -0.246 0.000 0.978 971 Y HN 0.114 nan 8.280 nan 0.000 0.513 972 G N -0.768 107.834 108.800 -0.329 0.000 2.418 972 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.217 972 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.217 972 G C 1.900 176.641 174.900 -0.265 0.000 1.158 972 G CA 0.807 45.702 45.100 -0.342 0.000 0.771 972 G HN 0.617 nan 8.290 nan 0.000 0.545 973 G N 0.530 109.218 108.800 -0.186 0.000 2.403 973 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.216 973 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.216 973 G C 1.707 176.557 174.900 -0.083 0.000 1.154 973 G CA 0.905 45.947 45.100 -0.096 0.000 0.784 973 G HN 0.386 nan 8.290 nan 0.000 0.538 974 L N 1.358 122.497 121.223 -0.139 0.000 2.017 974 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 974 L C 2.198 178.972 176.870 -0.160 0.000 1.073 974 L CA 2.714 57.490 54.840 -0.108 0.000 0.745 974 L CB -0.877 41.021 42.059 -0.269 0.000 0.894 974 L HN 0.305 nan 8.230 nan 0.000 0.432 975 D N -1.762 118.455 120.400 -0.305 0.000 2.104 975 D HA -0.301 4.338 4.640 -0.001 0.000 0.194 975 D C 2.273 178.452 176.300 -0.202 0.000 0.994 975 D CA 1.643 55.475 54.000 -0.280 0.000 0.830 975 D CB -0.251 40.245 40.800 -0.507 0.000 0.959 975 D HN 0.576 nan 8.370 nan 0.000 0.452 976 H N -0.368 118.544 119.070 -0.263 0.000 2.353 976 H HA -0.072 4.484 4.556 -0.001 0.000 0.300 976 H C 2.109 177.238 175.328 -0.331 0.000 1.090 976 H CA 1.451 57.343 56.048 -0.260 0.000 1.327 976 H CB -0.002 29.610 29.762 -0.249 0.000 1.383 976 H HN 0.114 nan 8.280 nan 0.000 0.508 977 V N 1.307 121.062 119.914 -0.265 0.000 2.343 977 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 977 V C 2.924 178.872 176.094 -0.245 0.000 1.051 977 V CA 1.421 63.505 62.300 -0.360 0.000 1.036 977 V CB -0.539 31.188 31.823 -0.160 0.000 0.654 977 V HN 0.322 nan 8.190 nan 0.000 0.451 978 L N 0.149 121.252 121.223 -0.199 0.000 2.093 978 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 978 L C 2.653 179.323 176.870 -0.333 0.000 1.085 978 L CA 1.461 56.190 54.840 -0.185 0.000 0.755 978 L CB -0.775 41.183 42.059 -0.168 0.000 0.904 978 L HN 0.352 nan 8.230 nan 0.000 0.435 979 A N 0.029 122.514 122.820 -0.557 0.000 2.125 979 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 979 A C 2.481 179.926 177.584 -0.232 0.000 1.156 979 A CA 1.574 53.241 52.037 -0.617 0.000 0.671 979 A CB -0.540 18.107 19.000 -0.588 0.000 0.794 979 A HN 0.532 nan 8.150 nan 0.000 0.459 980 S N -1.449 114.077 115.700 -0.290 0.000 2.447 980 S HA 0.237 4.707 4.470 -0.001 0.000 0.233 980 S C 1.666 176.214 174.600 -0.086 0.000 1.006 980 S CA 1.350 59.425 58.200 -0.208 0.000 0.957 980 S CB -0.639 62.439 63.200 -0.203 0.000 0.773 980 S HN 1.925 nan 8.310 nan 0.000 0.507 981 G N 0.525 109.326 108.800 0.002 0.000 2.179 981 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.260 981 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.260 981 G C -0.111 174.784 174.900 -0.008 0.000 0.977 981 G CA 0.333 45.428 45.100 -0.007 0.000 0.641 981 G HN 0.553 nan 8.290 nan 0.000 0.533 982 E N 0.524 120.749 120.200 0.042 0.000 2.371 982 E HA 0.321 4.671 4.350 -0.001 0.000 0.257 982 E C -0.078 176.528 176.600 0.009 0.000 1.134 982 E CA -0.639 55.772 56.400 0.019 0.000 0.919 982 E CB 0.545 30.306 29.700 0.103 0.000 1.025 982 E HN 0.178 nan 8.360 nan 0.000 0.438 983 D N 1.571 121.942 120.400 -0.048 0.000 2.508 983 D HA 0.142 4.781 4.640 -0.001 0.000 0.224 983 D C -0.830 175.424 176.300 -0.077 0.000 1.171 983 D CA -0.212 53.746 54.000 -0.070 0.000 1.006 983 D CB -0.526 40.217 40.800 -0.097 0.000 1.073 983 D HN 0.189 nan 8.370 nan 0.000 0.513 984 V N 0.496 120.381 119.914 -0.049 0.000 3.001 984 V HA 0.670 4.790 4.120 -0.001 0.000 0.314 984 V C -0.497 175.497 176.094 -0.167 0.000 1.099 984 V CA -1.094 61.152 62.300 -0.090 0.000 0.989 984 V CB 2.350 34.189 31.823 0.026 0.000 1.040 984 V HN 0.222 nan 8.190 nan 0.000 0.434 985 N N 1.389 119.880 118.700 -0.349 0.000 2.399 985 N HA 0.586 5.326 4.740 -0.001 0.000 0.280 985 N C -1.230 174.202 175.510 -0.130 0.000 1.008 985 N CA -0.268 52.457 53.050 -0.541 0.000 0.894 985 N CB 2.262 39.711 38.487 -1.731 0.000 1.273 985 N HN 0.626 nan 8.380 nan 0.000 0.486 986 V N 2.865 122.862 119.914 0.139 0.000 2.398 986 V HA 0.398 4.518 4.120 -0.001 0.000 0.286 986 V C -0.631 175.819 176.094 0.593 0.000 1.026 986 V CA -0.700 61.842 62.300 0.404 0.000 0.868 986 V CB 0.927 32.980 31.823 0.383 0.000 0.982 986 V HN 0.492 nan 8.190 nan 0.000 0.443 987 F N 5.802 126.105 119.950 0.589 0.000 2.403 987 F HA 0.654 5.180 4.527 -0.001 0.000 0.355 987 F C -0.329 175.699 175.800 0.380 0.000 1.119 987 F CA -0.755 57.547 58.000 0.503 0.000 1.007 987 F CB 1.478 40.779 39.000 0.500 0.000 1.194 987 F HN 0.255 nan 8.300 nan 0.000 0.443 988 V N 7.755 127.573 119.914 -0.160 0.000 2.370 988 V HA 0.292 4.412 4.120 -0.001 0.000 0.279 988 V C 0.097 175.965 176.094 -0.377 0.000 1.029 988 V CA -0.517 61.761 62.300 -0.036 0.000 0.870 988 V CB 1.361 33.313 31.823 0.215 0.000 0.984 988 V HN 0.704 nan 8.190 nan 0.000 0.451 989 M N 4.361 123.826 119.600 -0.225 0.000 2.206 989 M HA 0.293 4.772 4.480 -0.001 0.000 0.353 989 M C -0.235 176.041 176.300 -0.040 0.000 1.242 989 M CA -0.188 54.977 55.300 -0.226 0.000 1.179 989 M CB 0.396 32.974 32.600 -0.037 0.000 1.374 989 M HN 0.483 nan 8.290 nan 0.000 0.427 990 D N 2.386 122.751 120.400 -0.058 0.000 2.393 990 D HA 0.081 4.720 4.640 -0.001 0.000 0.232 990 D C 0.938 177.158 176.300 -0.134 0.000 1.192 990 D CA 0.106 54.116 54.000 0.017 0.000 0.882 990 D CB 0.991 41.928 40.800 0.229 0.000 1.038 990 D HN 0.643 nan 8.370 nan 0.000 0.499 991 T N -0.001 114.513 114.554 -0.066 0.000 3.086 991 T HA 0.069 4.419 4.350 -0.001 0.000 0.250 991 T C 0.609 175.273 174.700 -0.061 0.000 1.074 991 T CA -0.238 61.799 62.100 -0.106 0.000 0.988 991 T CB -0.193 68.663 68.868 -0.020 0.000 0.988 991 T HN 0.572 nan 8.240 nan 0.000 0.530 992 E N -0.214 119.972 120.200 -0.024 0.000 2.971 992 E HA -0.170 4.180 4.350 -0.001 0.000 0.278 992 E C -0.000 176.595 176.600 -0.008 0.000 1.009 992 E CA 0.609 57.010 56.400 0.002 0.000 0.862 992 E CB -2.513 27.251 29.700 0.107 0.000 1.436 992 E HN 0.823 nan 8.360 nan 0.000 0.434 993 V N -4.853 115.077 119.914 0.026 0.000 3.300 993 V HA 0.342 4.462 4.120 -0.001 0.000 0.289 993 V C -0.833 175.388 176.094 0.211 0.000 1.533 993 V CA -1.183 61.140 62.300 0.039 0.000 1.059 993 V CB 1.179 32.998 31.823 -0.007 0.000 1.161 993 V HN 0.137 nan 8.190 nan 0.000 0.462 994 Y N 1.485 121.800 120.300 0.025 0.000 2.585 994 Y HA 0.290 4.839 4.550 -0.001 0.000 0.354 994 Y C 1.715 177.616 175.900 0.002 0.000 1.024 994 Y CA -0.199 57.922 58.100 0.035 0.000 1.321 994 Y CB 1.455 39.925 38.460 0.018 0.000 1.151 994 Y HN 0.810 nan 8.280 nan 0.000 0.525 995 S N 2.424 118.216 115.700 0.153 0.000 2.335 995 S HA -0.223 4.247 4.470 -0.001 0.000 0.217 995 S C 1.804 176.437 174.600 0.053 0.000 1.032 995 S CA 1.600 59.851 58.200 0.085 0.000 0.985 995 S CB -0.300 62.950 63.200 0.083 0.000 0.896 995 S HN 0.893 nan 8.310 nan 0.000 0.445 996 N N 1.698 120.417 118.700 0.031 0.000 2.205 996 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 996 N C 1.326 176.822 175.510 -0.022 0.000 1.015 996 N CA 1.881 54.930 53.050 -0.001 0.000 0.862 996 N CB -0.673 37.789 38.487 -0.042 0.000 0.986 996 N HN 0.461 nan 8.380 nan 0.000 0.429 997 T N -5.085 109.457 114.554 -0.022 0.000 3.148 997 T HA 0.371 4.720 4.350 -0.001 0.000 0.253 997 T C 1.308 176.007 174.700 -0.002 0.000 1.134 997 T CA 0.095 62.183 62.100 -0.020 0.000 1.051 997 T CB 0.195 69.052 68.868 -0.019 0.000 0.959 997 T HN 0.522 nan 8.240 nan 0.000 0.525 998 G N 0.364 109.166 108.800 0.003 0.000 2.157 998 G HA2 0.310 4.269 3.960 -0.001 0.000 0.118 998 G HA3 0.310 4.269 3.960 -0.001 0.000 0.118 998 G C 0.696 175.579 174.900 -0.029 0.000 1.032 998 G CA -0.148 44.938 45.100 -0.023 0.000 0.697 998 G HN 1.456 nan 8.290 nan 0.000 0.495 999 G N -1.010 107.792 108.800 0.003 0.000 2.272 999 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.280 999 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.280 999 G C 0.223 175.091 174.900 -0.054 0.000 1.067 999 G CA 0.973 46.061 45.100 -0.020 0.000 0.902 999 G HN 1.091 nan 8.290 nan 0.000 0.500 1000 Q N 0.146 119.929 119.800 -0.029 0.000 2.306 1000 Q HA 0.600 4.939 4.340 -0.001 0.000 0.241 1000 Q C 0.873 176.708 176.000 -0.274 0.000 0.948 1000 Q CA 0.275 56.022 55.803 -0.093 0.000 0.886 1000 Q CB 1.178 29.906 28.738 -0.017 0.000 1.227 1000 Q HN 0.411 nan 8.270 nan 0.000 0.457 1001 S N 0.896 116.476 115.700 -0.201 0.000 2.560 1001 S HA 0.354 4.823 4.470 -0.001 0.000 0.284 1001 S C -0.269 174.061 174.600 -0.451 0.000 1.327 1001 S CA -0.098 57.968 58.200 -0.223 0.000 1.055 1001 S CB 0.077 63.227 63.200 -0.085 0.000 0.868 1001 S HN 0.624 nan 8.310 nan 0.000 0.506 1002 S N 3.578 119.098 115.700 -0.301 0.000 2.671 1002 S HA 0.513 4.982 4.470 -0.001 0.000 0.299 1002 S C 0.341 174.899 174.600 -0.071 0.000 1.116 1002 S CA -0.986 57.096 58.200 -0.196 0.000 0.912 1002 S CB 1.247 64.475 63.200 0.047 0.000 1.130 1002 S HN 0.733 nan 8.310 nan 0.000 0.501 1003 K N 0.108 120.513 120.400 0.009 0.000 2.515 1003 K HA 0.071 4.391 4.320 -0.001 0.000 0.196 1003 K C 1.589 178.157 176.600 -0.054 0.000 1.038 1003 K CA 0.834 57.128 56.287 0.012 0.000 0.967 1003 K CB -0.368 32.172 32.500 0.067 0.000 0.780 1003 K HN 0.681 nan 8.250 nan 0.000 0.483 1004 A N 0.876 123.538 122.820 -0.263 0.000 2.178 1004 A HA 0.029 4.349 4.320 -0.001 0.000 0.211 1004 A C 0.786 178.276 177.584 -0.157 0.000 1.157 1004 A CA 0.227 51.951 52.037 -0.521 0.000 0.780 1004 A CB 0.038 18.357 19.000 -1.134 0.000 0.828 1004 A HN 0.075 nan 8.150 nan 0.000 0.476 1005 T N 3.708 118.214 114.554 -0.079 0.000 2.902 1005 T HA 0.306 4.656 4.350 -0.001 0.000 0.301 1005 T C -2.309 172.433 174.700 0.070 0.000 1.012 1005 T CA -0.474 61.627 62.100 0.001 0.000 1.151 1005 T CB 0.845 69.692 68.868 -0.034 0.000 0.946 1005 T HN 0.297 nan 8.240 nan 0.000 0.542 1006 P HA 0.164 nan 4.420 nan 0.000 0.276 1006 P C -0.298 177.142 177.300 0.234 0.000 1.252 1006 P CA -0.545 62.702 63.100 0.246 0.000 0.802 1006 P CB 0.410 32.394 31.700 0.473 0.000 1.035 1007 T N 1.037 115.722 114.554 0.218 0.000 2.908 1007 T HA 0.276 4.626 4.350 -0.001 0.000 0.301 1007 T C 1.453 176.319 174.700 0.277 0.000 1.019 1007 T CA 1.876 64.090 62.100 0.189 0.000 1.152 1007 T CB -0.690 68.270 68.868 0.154 0.000 0.966 1007 T HN 0.818 nan 8.240 nan 0.000 0.540 1008 G N 2.196 111.119 108.800 0.206 0.000 2.234 1008 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.260 1008 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.260 1008 G C 0.338 175.370 174.900 0.221 0.000 0.987 1008 G CA 0.039 45.285 45.100 0.243 0.000 0.625 1008 G HN 1.201 nan 8.290 nan 0.000 0.532 1009 A N -0.006 122.883 122.820 0.116 0.000 2.425 1009 A HA 0.643 4.963 4.320 -0.001 0.000 0.249 1009 A C 0.493 177.957 177.584 -0.200 0.000 1.084 1009 A CA 0.412 52.254 52.037 -0.324 0.000 0.781 1009 A CB 0.961 19.771 19.000 -0.317 0.000 1.019 1009 A HN 1.126 nan 8.150 nan 0.000 0.490 1010 V N 1.730 121.485 119.914 -0.265 0.000 2.407 1010 V HA 0.677 4.797 4.120 -0.001 0.000 0.278 1010 V C 0.563 176.561 176.094 -0.161 0.000 1.037 1010 V CA 0.707 62.916 62.300 -0.152 0.000 0.900 1010 V CB 0.624 32.383 31.823 -0.106 0.000 0.983 1010 V HN 1.397 nan 8.190 nan 0.000 0.459 1011 A N 5.071 127.814 122.820 -0.128 0.000 2.586 1011 A HA 0.726 5.046 4.320 -0.001 0.000 0.290 1011 A C -1.096 176.397 177.584 -0.151 0.000 1.086 1011 A CA -0.997 50.961 52.037 -0.133 0.000 0.665 1011 A CB 1.240 20.167 19.000 -0.122 0.000 1.279 1011 A HN 0.506 nan 8.150 nan 0.000 0.423 1012 K N 0.291 120.571 120.400 -0.201 0.000 2.484 1012 K HA 0.332 4.651 4.320 -0.001 0.000 0.280 1012 K C -0.422 176.000 176.600 -0.298 0.000 1.013 1012 K CA 0.616 56.669 56.287 -0.390 0.000 1.029 1012 K CB -0.778 31.427 32.500 -0.491 0.000 0.902 1012 K HN 0.927 nan 8.250 nan 0.000 0.481 1013 F N -0.978 118.919 119.950 -0.088 0.000 2.746 1013 F HA -0.314 4.213 4.527 -0.001 0.000 0.315 1013 F C 0.558 176.316 175.800 -0.070 0.000 0.666 1013 F CA 0.806 58.762 58.000 -0.073 0.000 1.381 1013 F CB -1.538 37.409 39.000 -0.087 0.000 1.739 1013 F HN 0.617 nan 8.300 nan 0.000 0.322 1014 A N -0.444 122.380 122.820 0.007 0.000 2.958 1014 A HA 0.774 5.093 4.320 -0.001 0.000 0.214 1014 A C 0.849 178.400 177.584 -0.054 0.000 0.902 1014 A CA 0.316 52.344 52.037 -0.014 0.000 1.136 1014 A CB -0.258 18.729 19.000 -0.023 0.000 1.250 1014 A HN 0.668 nan 8.150 nan 0.000 0.497 1015 A N -0.545 122.236 122.820 -0.065 0.000 2.239 1015 A HA 0.424 4.744 4.320 -0.001 0.000 0.209 1015 A C 1.560 179.111 177.584 -0.054 0.000 1.171 1015 A CA 1.464 53.462 52.037 -0.064 0.000 0.768 1015 A CB -0.149 18.807 19.000 -0.073 0.000 0.790 1015 A HN 1.464 nan 8.150 nan 0.000 0.478 1016 A N -1.270 121.491 122.820 -0.098 0.000 2.508 1016 A HA 0.533 4.853 4.320 -0.001 0.000 0.257 1016 A C 0.974 178.485 177.584 -0.121 0.000 1.226 1016 A CA 0.579 52.490 52.037 -0.210 0.000 0.947 1016 A CB -0.484 18.342 19.000 -0.289 0.000 1.079 1016 A HN 1.944 nan 8.150 nan 0.000 0.531 1017 G N 0.203 108.972 108.800 -0.052 0.000 3.209 1017 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.686 1017 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.686 1017 G C -0.425 174.474 174.900 -0.003 0.000 1.065 1017 G CA -0.238 44.856 45.100 -0.010 0.000 0.812 1017 G HN 0.626 nan 8.290 nan 0.000 0.573 1018 K N 1.175 121.582 120.400 0.012 0.000 2.489 1018 K HA 0.236 4.556 4.320 -0.001 0.000 0.278 1018 K C 1.036 177.658 176.600 0.036 0.000 1.000 1018 K CA -0.109 56.190 56.287 0.021 0.000 1.012 1018 K CB 0.263 32.780 32.500 0.027 0.000 0.903 1018 K HN 0.382 nan 8.250 nan 0.000 0.485 1019 R N 2.139 122.653 120.500 0.024 0.000 2.466 1019 R HA 0.083 4.422 4.340 -0.001 0.000 0.279 1019 R C -0.295 176.023 176.300 0.030 0.000 0.976 1019 R CA 0.055 56.170 56.100 0.026 0.000 1.081 1019 R CB 0.079 30.385 30.300 0.010 0.000 1.215 1019 R HN 0.769 nan 8.270 nan 0.000 0.546 1020 T N -3.245 111.329 114.554 0.034 0.000 2.900 1020 T HA 0.668 5.018 4.350 -0.001 0.000 0.295 1020 T C 0.521 175.248 174.700 0.044 0.000 1.044 1020 T CA -0.762 61.357 62.100 0.031 0.000 0.995 1020 T CB 2.742 71.622 68.868 0.019 0.000 1.072 1020 T HN 0.082 nan 8.240 nan 0.000 0.473 1021 G N 0.884 109.709 108.800 0.042 0.000 2.684 1021 G HA2 0.373 4.332 3.960 -0.001 0.000 0.255 1021 G HA3 0.373 4.332 3.960 -0.001 0.000 0.255 1021 G C -0.301 174.626 174.900 0.044 0.000 1.219 1021 G CA -0.854 44.276 45.100 0.050 0.000 0.901 1021 G HN 0.979 nan 8.290 nan 0.000 0.548 1022 K N 0.101 120.532 120.400 0.050 0.000 2.412 1022 K HA 0.089 4.409 4.320 -0.001 0.000 0.281 1022 K C 0.567 177.201 176.600 0.056 0.000 1.027 1022 K CA -0.303 56.015 56.287 0.052 0.000 0.989 1022 K CB 0.396 32.930 32.500 0.056 0.000 0.935 1022 K HN 0.456 nan 8.250 nan 0.000 0.475 1023 K N 3.531 123.988 120.400 0.093 0.000 2.412 1023 K HA -0.075 4.244 4.320 -0.001 0.000 0.281 1023 K C -0.394 176.268 176.600 0.103 0.000 1.027 1023 K CA -0.048 56.290 56.287 0.086 0.000 0.989 1023 K CB 0.555 33.126 32.500 0.118 0.000 0.935 1023 K HN 0.484 nan 8.250 nan 0.000 0.475 1024 D N 5.623 126.014 120.400 -0.014 0.000 2.631 1024 D HA 0.001 4.640 4.640 -0.001 0.000 0.227 1024 D C 0.997 177.223 176.300 -0.123 0.000 1.146 1024 D CA -0.184 53.786 54.000 -0.050 0.000 1.009 1024 D CB 0.220 40.970 40.800 -0.084 0.000 1.057 1024 D HN 0.571 nan 8.370 nan 0.000 0.509 1025 L N 3.121 124.224 121.223 -0.199 0.000 2.012 1025 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 1025 L C 2.073 178.833 176.870 -0.182 0.000 1.073 1025 L CA 2.308 56.935 54.840 -0.356 0.000 0.748 1025 L CB -0.659 40.912 42.059 -0.814 0.000 0.891 1025 L HN 0.264 nan 8.230 nan 0.000 0.431 1026 A N -0.359 122.400 122.820 -0.102 0.000 1.873 1026 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 1026 A C 2.463 179.996 177.584 -0.083 0.000 1.193 1026 A CA 2.099 54.132 52.037 -0.007 0.000 0.629 1026 A CB -0.659 18.452 19.000 0.185 0.000 0.826 1026 A HN 0.526 nan 8.150 nan 0.000 0.447 1027 R N -1.296 119.123 120.500 -0.136 0.000 2.120 1027 R HA -0.054 4.285 4.340 -0.001 0.000 0.234 1027 R C 2.285 178.452 176.300 -0.222 0.000 1.123 1027 R CA 1.556 57.520 56.100 -0.226 0.000 0.975 1027 R CB -0.382 29.778 30.300 -0.233 0.000 0.866 1027 R HN 0.602 nan 8.270 nan 0.000 0.446 1028 M N -0.125 119.371 119.600 -0.174 0.000 2.086 1028 M HA -0.157 4.323 4.480 -0.001 0.000 0.261 1028 M C 2.260 178.452 176.300 -0.180 0.000 1.067 1028 M CA 1.456 56.658 55.300 -0.163 0.000 1.116 1028 M CB -0.162 32.380 32.600 -0.096 0.000 1.348 1028 M HN -0.043 nan 8.290 nan 0.000 0.407 1029 V N 0.221 120.072 119.914 -0.105 0.000 2.515 1029 V HA -0.225 3.894 4.120 -0.001 0.000 0.250 1029 V C 2.219 178.231 176.094 -0.137 0.000 1.058 1029 V CA 1.455 63.743 62.300 -0.019 0.000 1.064 1029 V CB -0.558 31.277 31.823 0.020 0.000 0.675 1029 V HN 0.524 nan 8.190 nan 0.000 0.461 1030 M N 0.601 120.021 119.600 -0.301 0.000 2.549 1030 M HA -0.116 4.363 4.480 -0.001 0.000 0.260 1030 M C 2.156 178.147 176.300 -0.516 0.000 1.076 1030 M CA 1.717 56.663 55.300 -0.590 0.000 1.090 1030 M CB -0.625 31.524 32.600 -0.750 0.000 1.418 1030 M HN 0.653 nan 8.290 nan 0.000 0.486 1031 T N -2.759 111.558 114.554 -0.394 0.000 3.035 1031 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 1031 T C 1.385 175.867 174.700 -0.363 0.000 1.109 1031 T CA 0.838 62.718 62.100 -0.367 0.000 1.119 1031 T CB -0.460 68.172 68.868 -0.393 0.000 0.900 1031 T HN 0.307 nan 8.240 nan 0.000 0.503 1032 Y N 2.162 122.276 120.300 -0.309 0.000 2.242 1032 Y HA 0.235 4.784 4.550 -0.001 0.000 0.291 1032 Y C 2.589 178.292 175.900 -0.327 0.000 1.137 1032 Y CA 0.624 58.464 58.100 -0.434 0.000 1.181 1032 Y CB -0.808 37.202 38.460 -0.751 0.000 0.989 1032 Y HN 0.440 nan 8.280 nan 0.000 0.527 1033 G N -0.825 107.953 108.800 -0.036 0.000 2.304 1033 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.252 1033 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.252 1033 G C 0.753 175.865 174.900 0.353 0.000 1.014 1033 G CA 0.730 45.968 45.100 0.229 0.000 0.619 1033 G HN 0.584 nan 8.290 nan 0.000 0.525 1034 Y N -0.186 120.296 120.300 0.303 0.000 2.584 1034 Y HA 0.754 5.303 4.550 -0.001 0.000 0.254 1034 Y C 0.309 176.417 175.900 0.347 0.000 1.177 1034 Y CA -0.881 57.408 58.100 0.315 0.000 1.216 1034 Y CB -0.058 38.545 38.460 0.238 0.000 1.172 1034 Y HN 0.225 nan 8.280 nan 0.000 0.529 1035 V N 1.806 121.826 119.914 0.176 0.000 2.459 1035 V HA 0.183 4.302 4.120 -0.001 0.000 0.295 1035 V C -0.827 175.298 176.094 0.052 0.000 1.029 1035 V CA -1.250 61.141 62.300 0.152 0.000 0.874 1035 V CB 1.162 32.985 31.823 -0.001 0.000 0.985 1035 V HN 0.304 nan 8.190 nan 0.000 0.438 1036 Y N 5.054 125.182 120.300 -0.287 0.000 2.377 1036 Y HA 0.516 5.065 4.550 -0.001 0.000 0.330 1036 Y C -0.287 175.598 175.900 -0.025 0.000 1.108 1036 Y CA 0.231 58.124 58.100 -0.346 0.000 1.308 1036 Y CB 0.990 39.077 38.460 -0.622 0.000 1.216 1036 Y HN 0.406 nan 8.280 nan 0.000 0.518 1037 V N 5.506 125.226 119.914 -0.322 0.000 2.760 1037 V HA 0.890 5.010 4.120 -0.001 0.000 0.309 1037 V C -0.780 175.224 176.094 -0.149 0.000 1.077 1037 V CA -0.428 61.824 62.300 -0.080 0.000 0.910 1037 V CB 1.359 33.192 31.823 0.017 0.000 1.008 1037 V HN 0.970 nan 8.190 nan 0.000 0.424 1038 A N 2.723 125.553 122.820 0.016 0.000 2.612 1038 A HA 0.958 5.278 4.320 -0.001 0.000 0.293 1038 A C -0.467 177.080 177.584 -0.061 0.000 1.075 1038 A CA -0.301 51.725 52.037 -0.019 0.000 0.680 1038 A CB 2.220 21.287 19.000 0.111 0.000 1.279 1038 A HN 0.996 nan 8.150 nan 0.000 0.411 1039 T N -1.161 113.201 114.554 -0.321 0.000 2.887 1039 T HA 0.831 5.181 4.350 -0.001 0.000 0.288 1039 T C -0.139 174.616 174.700 0.092 0.000 1.021 1039 T CA -0.127 61.852 62.100 -0.201 0.000 1.000 1039 T CB 1.058 69.501 68.868 -0.708 0.000 1.034 1039 T HN 2.103 nan 8.240 nan 0.000 0.467 1040 V N -1.771 118.364 119.914 0.368 0.000 3.130 1040 V HA 0.976 5.095 4.120 -0.001 0.000 0.310 1040 V C -0.597 175.776 176.094 0.465 0.000 1.158 1040 V CA -0.879 61.685 62.300 0.439 0.000 1.029 1040 V CB 1.760 33.928 31.823 0.574 0.000 1.057 1040 V HN 1.159 nan 8.190 nan 0.000 0.436 1041 S N 1.994 117.940 115.700 0.411 0.000 2.536 1041 S HA 0.327 4.797 4.470 -0.001 0.000 0.246 1041 S C 0.350 175.130 174.600 0.300 0.000 1.077 1041 S CA -0.029 58.374 58.200 0.337 0.000 1.091 1041 S CB 1.187 64.531 63.200 0.239 0.000 1.148 1041 S HN 1.053 nan 8.310 nan 0.000 0.447 1042 M N 4.097 123.814 119.600 0.194 0.000 2.088 1042 M HA -0.083 4.397 4.480 -0.001 0.000 0.256 1042 M C 1.967 178.310 176.300 0.072 0.000 1.071 1042 M CA 2.719 58.024 55.300 0.008 0.000 1.097 1042 M CB -0.783 31.598 32.600 -0.365 0.000 1.315 1042 M HN 0.819 nan 8.290 nan 0.000 0.406 1043 G N -1.362 107.486 108.800 0.081 0.000 2.475 1043 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.220 1043 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.220 1043 G C 1.180 176.146 174.900 0.110 0.000 1.125 1043 G CA 1.174 46.324 45.100 0.083 0.000 0.755 1043 G HN 0.617 nan 8.290 nan 0.000 0.565 1044 Y N 0.785 121.117 120.300 0.054 0.000 2.176 1044 Y HA 0.307 4.856 4.550 -0.001 0.000 0.291 1044 Y C 1.117 177.048 175.900 0.052 0.000 1.122 1044 Y CA 1.163 59.295 58.100 0.054 0.000 1.128 1044 Y CB 0.225 38.734 38.460 0.081 0.000 1.005 1044 Y HN 0.149 nan 8.280 nan 0.000 0.509 1045 S N -0.229 115.538 115.700 0.111 0.000 2.706 1045 S HA 0.299 4.768 4.470 -0.001 0.000 0.270 1045 S C -0.109 174.567 174.600 0.127 0.000 1.163 1045 S CA -0.796 57.415 58.200 0.019 0.000 1.042 1045 S CB 0.998 64.239 63.200 0.068 0.000 1.079 1045 S HN 0.353 nan 8.310 nan 0.000 0.474 1046 K N 2.744 123.140 120.400 -0.007 0.000 2.155 1046 K HA -0.028 4.291 4.320 -0.001 0.000 0.203 1046 K C 1.896 178.543 176.600 0.079 0.000 1.052 1046 K CA 0.973 57.247 56.287 -0.022 0.000 0.948 1046 K CB 0.022 32.166 32.500 -0.594 0.000 0.728 1046 K HN 0.629 nan 8.250 nan 0.000 0.448 1047 Q N 0.766 120.571 119.800 0.009 0.000 2.050 1047 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 1047 Q C 2.338 178.418 176.000 0.132 0.000 0.980 1047 Q CA 1.212 57.039 55.803 0.040 0.000 0.840 1047 Q CB -0.046 28.695 28.738 0.005 0.000 0.898 1047 Q HN 0.275 nan 8.270 nan 0.000 0.424 1048 Q N 0.207 120.116 119.800 0.182 0.000 2.124 1048 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 1048 Q C 1.922 178.121 176.000 0.331 0.000 0.977 1048 Q CA 1.199 57.145 55.803 0.238 0.000 0.850 1048 Q CB -0.150 28.752 28.738 0.274 0.000 0.901 1048 Q HN 0.332 nan 8.270 nan 0.000 0.429 1049 F N 1.039 121.132 119.950 0.237 0.000 2.102 1049 F HA -0.167 4.359 4.527 -0.001 0.000 0.298 1049 F C 1.954 177.926 175.800 0.286 0.000 1.105 1049 F CA 1.232 59.419 58.000 0.312 0.000 1.239 1049 F CB -0.581 38.647 39.000 0.381 0.000 0.991 1049 F HN 0.033 nan 8.300 nan 0.000 0.474 1050 L N 0.209 121.454 121.223 0.036 0.000 2.083 1050 L HA -0.219 4.121 4.340 -0.001 0.000 0.209 1050 L C 2.628 179.501 176.870 0.005 0.000 1.083 1050 L CA 1.730 56.512 54.840 -0.097 0.000 0.752 1050 L CB -0.795 41.279 42.059 0.025 0.000 0.899 1050 L HN 0.133 nan 8.230 nan 0.000 0.433 1051 K N 0.248 120.701 120.400 0.088 0.000 2.026 1051 K HA -0.166 4.154 4.320 -0.001 0.000 0.208 1051 K C 2.045 178.737 176.600 0.153 0.000 1.048 1051 K CA 1.498 57.854 56.287 0.115 0.000 0.929 1051 K CB -0.023 32.553 32.500 0.127 0.000 0.713 1051 K HN 0.057 nan 8.250 nan 0.000 0.439 1052 V N 1.946 121.986 119.914 0.209 0.000 2.295 1052 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 1052 V C 2.366 178.608 176.094 0.246 0.000 1.049 1052 V CA 1.642 64.120 62.300 0.296 0.000 1.024 1052 V CB -0.367 31.694 31.823 0.397 0.000 0.648 1052 V HN 0.346 nan 8.190 nan 0.000 0.447 1053 L N -0.535 120.792 121.223 0.174 0.000 2.012 1053 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 1053 L C 2.753 179.845 176.870 0.371 0.000 1.073 1053 L CA 1.522 56.531 54.840 0.281 0.000 0.748 1053 L CB -0.660 41.442 42.059 0.072 0.000 0.891 1053 L HN 0.272 nan 8.230 nan 0.000 0.431 1054 K N 0.207 120.764 120.400 0.263 0.000 2.057 1054 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 1054 K C 1.927 178.586 176.600 0.097 0.000 1.050 1054 K CA 1.230 57.669 56.287 0.253 0.000 0.935 1054 K CB -0.265 32.337 32.500 0.169 0.000 0.715 1054 K HN 0.438 nan 8.250 nan 0.000 0.439 1055 E N 0.548 120.760 120.200 0.019 0.000 2.072 1055 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 1055 E C 2.043 178.329 176.600 -0.524 0.000 0.985 1055 E CA 1.031 57.338 56.400 -0.156 0.000 0.801 1055 E CB -0.083 29.587 29.700 -0.051 0.000 0.750 1055 E HN 0.264 nan 8.360 nan 0.000 0.452 1056 A N 1.646 124.122 122.820 -0.573 0.000 1.873 1056 A HA -0.208 4.111 4.320 -0.001 0.000 0.215 1056 A C 2.154 179.578 177.584 -0.267 0.000 1.186 1056 A CA 1.269 52.942 52.037 -0.606 0.000 0.616 1056 A CB -0.338 18.603 19.000 -0.099 0.000 0.823 1056 A HN 0.096 nan 8.150 nan 0.000 0.442 1057 E N 0.674 120.775 120.200 -0.166 0.000 2.106 1057 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 1057 E C 2.269 178.765 176.600 -0.174 0.000 0.984 1057 E CA 1.603 57.841 56.400 -0.269 0.000 0.806 1057 E CB -0.207 29.198 29.700 -0.492 0.000 0.750 1057 E HN 0.672 nan 8.360 nan 0.000 0.458 1058 S N -0.281 115.371 115.700 -0.079 0.000 2.489 1058 S HA -0.051 4.418 4.470 -0.001 0.000 0.228 1058 S C 0.858 175.454 174.600 -0.006 0.000 0.995 1058 S CA -0.419 57.764 58.200 -0.028 0.000 0.934 1058 S CB -0.499 62.713 63.200 0.020 0.000 0.771 1058 S HN 0.172 nan 8.310 nan 0.000 0.522 1059 F N 5.665 125.512 119.950 -0.171 0.000 2.578 1059 F HA 0.302 4.828 4.527 -0.001 0.000 0.381 1059 F C -2.038 173.719 175.800 -0.071 0.000 1.069 1059 F CA -2.699 55.234 58.000 -0.111 0.000 1.231 1059 F CB 0.697 39.616 39.000 -0.135 0.000 1.086 1059 F HN 0.048 nan 8.300 nan 0.000 0.564 1060 P HA 0.225 nan 4.420 nan 0.000 0.246 1060 P C -0.098 176.836 177.300 -0.611 0.000 1.686 1060 P CA 0.387 63.193 63.100 -0.490 0.000 0.867 1060 P CB -0.136 31.354 31.700 -0.351 0.000 1.733 1061 G N 0.409 108.819 108.800 -0.650 0.000 2.650 1061 G HA2 0.488 4.447 3.960 -0.001 0.000 0.310 1061 G HA3 0.488 4.447 3.960 -0.001 0.000 0.310 1061 G C -3.497 171.503 174.900 0.166 0.000 1.270 1061 G CA -1.174 43.772 45.100 -0.258 0.000 0.810 1061 G HN -0.200 nan 8.290 nan 0.000 0.493 1062 P HA 0.461 nan 4.420 nan 0.000 0.279 1062 P C -0.786 176.725 177.300 0.351 0.000 1.239 1062 P CA -0.069 63.188 63.100 0.260 0.000 0.789 1062 P CB 1.555 33.362 31.700 0.178 0.000 0.933 1063 S N 2.096 117.926 115.700 0.217 0.000 2.521 1063 S HA 0.649 5.119 4.470 -0.001 0.000 0.295 1063 S C -1.092 173.631 174.600 0.205 0.000 1.098 1063 S CA -0.491 57.849 58.200 0.234 0.000 0.999 1063 S CB 0.970 64.248 63.200 0.129 0.000 1.034 1063 S HN 0.344 nan 8.310 nan 0.000 0.483 1064 L N 3.595 124.973 121.223 0.259 0.000 2.372 1064 L HA 0.747 5.086 4.340 -0.001 0.000 0.274 1064 L C -1.618 175.429 176.870 0.294 0.000 0.988 1064 L CA -0.398 54.588 54.840 0.244 0.000 0.833 1064 L CB 1.439 43.594 42.059 0.161 0.000 1.236 1064 L HN 0.461 nan 8.230 nan 0.000 0.410 1065 V N 6.668 126.801 119.914 0.366 0.000 2.409 1065 V HA 0.507 4.626 4.120 -0.001 0.000 0.291 1065 V C -0.056 176.193 176.094 0.258 0.000 1.020 1065 V CA -0.380 62.163 62.300 0.404 0.000 0.848 1065 V CB 1.644 33.867 31.823 0.667 0.000 0.990 1065 V HN 0.618 nan 8.190 nan 0.000 0.430 1066 I N 4.391 125.075 120.570 0.191 0.000 2.330 1066 I HA 0.712 4.881 4.170 -0.001 0.000 0.289 1066 I C 0.390 176.657 176.117 0.250 0.000 1.001 1066 I CA -0.374 61.025 61.300 0.165 0.000 1.193 1066 I CB 1.647 39.776 38.000 0.215 0.000 1.345 1066 I HN 0.665 nan 8.210 nan 0.000 0.461 1067 A N 5.856 128.653 122.820 -0.040 0.000 2.324 1067 A HA 0.470 4.790 4.320 -0.001 0.000 0.330 1067 A C -1.165 176.268 177.584 -0.252 0.000 1.165 1067 A CA -0.427 51.491 52.037 -0.198 0.000 0.813 1067 A CB 0.674 19.120 19.000 -0.924 0.000 1.197 1067 A HN 0.632 nan 8.150 nan 0.000 0.484 1068 Y N 2.354 122.326 120.300 -0.546 0.000 2.486 1068 Y HA 0.436 4.985 4.550 -0.001 0.000 0.348 1068 Y C 0.336 176.048 175.900 -0.313 0.000 1.000 1068 Y CA -0.129 57.412 58.100 -0.933 0.000 1.253 1068 Y CB 0.326 37.949 38.460 -1.396 0.000 1.140 1068 Y HN 0.774 nan 8.280 nan 0.000 0.526 1069 A N 5.324 127.760 122.820 -0.640 0.000 2.287 1069 A HA 0.504 4.824 4.320 -0.001 0.000 0.317 1069 A C 0.021 177.358 177.584 -0.411 0.000 1.220 1069 A CA -0.406 51.457 52.037 -0.291 0.000 0.835 1069 A CB 0.020 18.948 19.000 -0.120 0.000 1.180 1069 A HN 0.792 nan 8.150 nan 0.000 0.500 1070 T N -0.933 113.490 114.554 -0.219 0.000 2.898 1070 T HA 0.463 4.812 4.350 -0.001 0.000 0.301 1070 T C 0.051 174.703 174.700 -0.080 0.000 1.049 1070 T CA -0.441 61.573 62.100 -0.142 0.000 1.095 1070 T CB 0.947 69.814 68.868 -0.002 0.000 0.976 1070 T HN 1.297 nan 8.240 nan 0.000 0.539 1071 C N 3.481 122.747 119.300 -0.057 0.000 3.082 1071 C HA 0.502 4.961 4.460 -0.001 0.000 0.324 1071 C C 1.764 176.746 174.990 -0.013 0.000 1.210 1071 C CA -0.882 58.123 59.018 -0.022 0.000 1.366 1071 C CB 0.053 27.781 27.740 -0.022 0.000 1.756 1071 C HN 1.100 nan 8.230 nan 0.000 0.485 1072 I N 1.603 122.175 120.570 0.003 0.000 2.315 1072 I HA -0.159 4.010 4.170 -0.001 0.000 0.251 1072 I C 1.688 177.795 176.117 -0.016 0.000 1.125 1072 I CA 2.204 63.504 61.300 -0.000 0.000 1.392 1072 I CB -0.606 37.401 38.000 0.012 0.000 1.065 1072 I HN 0.789 nan 8.210 nan 0.000 0.424 1073 N N 0.978 119.667 118.700 -0.019 0.000 2.272 1073 N HA -0.196 4.543 4.740 -0.001 0.000 0.185 1073 N C 1.706 177.180 175.510 -0.060 0.000 1.014 1073 N CA 1.214 54.242 53.050 -0.037 0.000 0.870 1073 N CB -0.161 38.307 38.487 -0.032 0.000 0.975 1073 N HN 0.636 nan 8.380 nan 0.000 0.433 1074 Q N -0.033 119.733 119.800 -0.056 0.000 2.435 1074 Q HA 0.067 4.406 4.340 -0.001 0.000 0.207 1074 Q C 0.752 176.710 176.000 -0.070 0.000 0.956 1074 Q CA 0.328 56.086 55.803 -0.075 0.000 0.917 1074 Q CB 0.391 29.099 28.738 -0.049 0.000 0.997 1074 Q HN 0.353 nan 8.270 nan 0.000 0.497 1075 G N 1.893 110.664 108.800 -0.049 0.000 2.333 1075 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.296 1075 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.296 1075 G C -0.202 174.679 174.900 -0.031 0.000 1.059 1075 G CA -0.271 44.806 45.100 -0.039 0.000 1.050 1075 G HN 0.258 nan 8.290 nan 0.000 0.508 1076 L N 0.523 121.733 121.223 -0.022 0.000 2.562 1076 L HA 0.097 4.436 4.340 -0.001 0.000 0.271 1076 L C 2.202 179.064 176.870 -0.012 0.000 1.167 1076 L CA -0.455 54.374 54.840 -0.018 0.000 0.917 1076 L CB 0.217 42.276 42.059 -0.001 0.000 1.187 1076 L HN 0.301 nan 8.230 nan 0.000 0.482 1077 R N 2.913 123.403 120.500 -0.016 0.000 2.117 1077 R HA -0.155 4.185 4.340 -0.001 0.000 0.243 1077 R C 1.207 177.506 176.300 -0.003 0.000 1.143 1077 R CA 1.520 57.614 56.100 -0.010 0.000 0.968 1077 R CB -0.095 30.198 30.300 -0.012 0.000 0.863 1077 R HN 0.557 nan 8.270 nan 0.000 0.444 1078 K N -0.552 119.849 120.400 0.001 0.000 2.372 1078 K HA 0.204 4.523 4.320 -0.001 0.000 0.200 1078 K C 0.151 176.757 176.600 0.010 0.000 1.022 1078 K CA 0.352 56.643 56.287 0.006 0.000 1.125 1078 K CB 1.135 33.641 32.500 0.010 0.000 0.855 1078 K HN 0.300 nan 8.250 nan 0.000 0.524 1079 G N 0.748 109.553 108.800 0.009 0.000 2.617 1079 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.686 1079 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.686 1079 G C 0.167 175.076 174.900 0.016 0.000 1.214 1079 G CA -0.905 44.202 45.100 0.011 0.000 0.796 1079 G HN -0.111 nan 8.290 nan 0.000 0.654 1080 M N 1.159 120.769 119.600 0.016 0.000 2.539 1080 M HA -0.005 4.474 4.480 -0.001 0.000 0.261 1080 M C 2.460 178.774 176.300 0.023 0.000 1.069 1080 M CA 1.824 57.136 55.300 0.020 0.000 1.081 1080 M CB -1.089 31.523 32.600 0.020 0.000 1.412 1080 M HN 1.021 nan 8.290 nan 0.000 0.482 1081 G N -0.018 108.795 108.800 0.022 0.000 2.776 1081 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.209 1081 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.209 1081 G C 1.521 176.437 174.900 0.027 0.000 1.145 1081 G CA 0.268 45.381 45.100 0.023 0.000 0.791 1081 G HN 0.356 nan 8.290 nan 0.000 0.530 1082 K N 0.668 121.086 120.400 0.031 0.000 2.372 1082 K HA 0.210 4.530 4.320 -0.001 0.000 0.200 1082 K C 1.985 178.618 176.600 0.055 0.000 1.022 1082 K CA -0.049 56.262 56.287 0.040 0.000 1.125 1082 K CB 0.553 33.075 32.500 0.037 0.000 0.855 1082 K HN 0.129 nan 8.250 nan 0.000 0.524 1083 S N 1.896 117.626 115.700 0.050 0.000 2.368 1083 S HA -0.193 4.276 4.470 -0.001 0.000 0.226 1083 S C 1.822 176.472 174.600 0.083 0.000 1.044 1083 S CA 1.397 59.637 58.200 0.066 0.000 1.062 1083 S CB -0.025 63.197 63.200 0.036 0.000 0.931 1083 S HN 0.337 nan 8.310 nan 0.000 0.440 1084 Q N 0.679 120.510 119.800 0.052 0.000 2.096 1084 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 1084 Q C 1.924 177.969 176.000 0.075 0.000 0.982 1084 Q CA 1.531 57.365 55.803 0.051 0.000 0.850 1084 Q CB -0.754 28.000 28.738 0.026 0.000 0.901 1084 Q HN 0.557 nan 8.270 nan 0.000 0.422 1085 D N -0.210 120.233 120.400 0.072 0.000 2.144 1085 D HA -0.103 4.536 4.640 -0.001 0.000 0.200 1085 D C 1.872 178.243 176.300 0.119 0.000 0.978 1085 D CA 0.648 54.695 54.000 0.079 0.000 0.833 1085 D CB 0.228 41.066 40.800 0.064 0.000 0.961 1085 D HN -0.002 nan 8.370 nan 0.000 0.470 1086 V N 0.268 120.272 119.914 0.150 0.000 2.427 1086 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 1086 V C 2.421 178.670 176.094 0.259 0.000 1.051 1086 V CA 1.440 63.887 62.300 0.244 0.000 1.048 1086 V CB -0.399 31.565 31.823 0.234 0.000 0.666 1086 V HN 0.322 nan 8.190 nan 0.000 0.456 1087 M N -0.178 119.547 119.600 0.208 0.000 2.159 1087 M HA -0.185 4.295 4.480 -0.001 0.000 0.263 1087 M C 2.127 178.478 176.300 0.086 0.000 1.063 1087 M CA 1.967 57.363 55.300 0.160 0.000 1.110 1087 M CB -0.705 32.012 32.600 0.195 0.000 1.374 1087 M HN 0.468 nan 8.290 nan 0.000 0.411 1088 N N -0.373 118.401 118.700 0.124 0.000 2.080 1088 N HA -0.146 4.593 4.740 -0.001 0.000 0.189 1088 N C 1.364 176.938 175.510 0.107 0.000 1.036 1088 N CA 1.727 54.878 53.050 0.168 0.000 0.846 1088 N CB 0.161 38.718 38.487 0.118 0.000 1.015 1088 N HN 0.224 nan 8.380 nan 0.000 0.423 1089 T N 0.545 115.125 114.554 0.043 0.000 2.788 1089 T HA -0.059 4.290 4.350 -0.001 0.000 0.268 1089 T C 1.918 176.386 174.700 -0.386 0.000 1.044 1089 T CA 1.010 63.075 62.100 -0.057 0.000 1.139 1089 T CB -0.384 68.541 68.868 0.095 0.000 0.867 1089 T HN 0.413 nan 8.240 nan 0.000 0.454 1090 A N 1.032 123.539 122.820 -0.522 0.000 1.917 1090 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 1090 A C 2.561 179.907 177.584 -0.395 0.000 1.182 1090 A CA 1.771 53.283 52.037 -0.875 0.000 0.633 1090 A CB -1.007 17.507 19.000 -0.809 0.000 0.819 1090 A HN 0.388 nan 8.150 nan 0.000 0.448 1091 V N -0.299 119.479 119.914 -0.227 0.000 2.302 1091 V HA -0.197 3.922 4.120 -0.001 0.000 0.243 1091 V C 2.379 178.323 176.094 -0.249 0.000 1.036 1091 V CA 2.101 64.260 62.300 -0.234 0.000 1.020 1091 V CB -0.699 30.813 31.823 -0.518 0.000 0.657 1091 V HN 0.518 nan 8.190 nan 0.000 0.453 1092 K N 1.240 121.553 120.400 -0.145 0.000 2.063 1092 K HA -0.186 4.134 4.320 -0.001 0.000 0.208 1092 K C 2.299 178.819 176.600 -0.134 0.000 1.048 1092 K CA 1.883 58.127 56.287 -0.070 0.000 0.928 1092 K CB -0.428 32.096 32.500 0.040 0.000 0.713 1092 K HN 0.625 nan 8.250 nan 0.000 0.442 1093 S N -0.545 115.045 115.700 -0.182 0.000 2.474 1093 S HA -0.026 4.443 4.470 -0.001 0.000 0.235 1093 S C 1.559 176.069 174.600 -0.150 0.000 0.997 1093 S CA 0.903 59.000 58.200 -0.173 0.000 0.949 1093 S CB -0.123 62.919 63.200 -0.264 0.000 0.766 1093 S HN 0.507 nan 8.310 nan 0.000 0.517 1094 G N 0.038 108.743 108.800 -0.160 0.000 2.175 1094 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.244 1094 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.244 1094 G C 0.357 175.253 174.900 -0.006 0.000 0.982 1094 G CA 0.400 45.424 45.100 -0.127 0.000 0.641 1094 G HN 0.586 nan 8.290 nan 0.000 0.527 1095 Y N -0.325 119.872 120.300 -0.172 0.000 2.181 1095 Y HA 0.154 4.703 4.550 -0.001 0.000 0.288 1095 Y C 1.346 177.274 175.900 0.047 0.000 1.146 1095 Y CA 2.073 60.114 58.100 -0.098 0.000 1.164 1095 Y CB 0.183 38.459 38.460 -0.306 0.000 0.982 1095 Y HN 0.359 nan 8.280 nan 0.000 0.515 1096 W N 4.685 125.906 121.300 -0.130 0.000 2.433 1096 W HA 0.314 4.974 4.660 -0.001 0.000 0.288 1096 W C -2.951 173.506 176.519 -0.103 0.000 0.986 1096 W CA -2.300 54.959 57.345 -0.142 0.000 1.680 1096 W CB 0.738 30.087 29.460 -0.185 0.000 1.615 1096 W HN -0.020 nan 8.180 nan 0.000 0.416 1097 P HA 0.114 nan 4.420 nan 0.000 0.271 1097 P C -0.467 176.772 177.300 -0.101 0.000 1.218 1097 P CA 0.284 63.417 63.100 0.054 0.000 0.780 1097 P CB 1.844 33.716 31.700 0.287 0.000 0.901 1098 L N 3.861 125.058 121.223 -0.043 0.000 2.317 1098 L HA 0.604 4.944 4.340 -0.001 0.000 0.281 1098 L C 0.194 177.033 176.870 -0.051 0.000 1.024 1098 L CA -0.682 54.072 54.840 -0.143 0.000 0.810 1098 L CB 0.570 42.626 42.059 -0.005 0.000 1.240 1098 L HN 0.458 nan 8.230 nan 0.000 0.427 1099 F N 0.425 120.338 119.950 -0.062 0.000 2.773 1099 F HA 0.746 5.272 4.527 -0.001 0.000 0.314 1099 F C -1.213 174.458 175.800 -0.215 0.000 1.160 1099 F CA -1.412 56.453 58.000 -0.225 0.000 0.920 1099 F CB 1.553 40.349 39.000 -0.340 0.000 1.323 1099 F HN 0.241 nan 8.300 nan 0.000 0.457 1100 R N 0.581 121.047 120.500 -0.056 0.000 2.621 1100 R HA 0.443 4.782 4.340 -0.001 0.000 0.284 1100 R C -2.386 173.767 176.300 -0.245 0.000 0.998 1100 R CA -0.927 55.089 56.100 -0.140 0.000 0.895 1100 R CB 2.662 32.898 30.300 -0.105 0.000 1.195 1100 R HN 0.833 nan 8.270 nan 0.000 0.450 1101 Y N 2.222 122.274 120.300 -0.414 0.000 2.388 1101 Y HA 0.267 4.816 4.550 -0.001 0.000 0.328 1101 Y C -1.065 174.540 175.900 -0.492 0.000 0.963 1101 Y CA -0.709 57.208 58.100 -0.304 0.000 1.240 1101 Y CB 1.100 39.489 38.460 -0.119 0.000 1.118 1101 Y HN 0.468 nan 8.280 nan 0.000 0.484 1102 D N 8.399 128.458 120.400 -0.569 0.000 2.453 1102 D HA 0.323 4.963 4.640 -0.001 0.000 0.238 1102 D C -2.175 173.936 176.300 -0.315 0.000 1.088 1102 D CA -2.506 51.311 54.000 -0.304 0.000 0.854 1102 D CB 2.242 43.028 40.800 -0.024 0.000 1.076 1102 D HN 0.305 nan 8.370 nan 0.000 0.533 1103 P HA -0.142 nan 4.420 nan 0.000 0.218 1103 P C 1.216 178.598 177.300 0.137 0.000 1.146 1103 P CA 1.002 64.111 63.100 0.014 0.000 0.813 1103 P CB 0.138 32.002 31.700 0.273 0.000 0.778 1104 R N -0.479 120.150 120.500 0.215 0.000 2.235 1104 R HA 0.007 4.346 4.340 -0.001 0.000 0.213 1104 R C 1.843 178.191 176.300 0.080 0.000 1.059 1104 R CA 0.958 57.173 56.100 0.192 0.000 0.997 1104 R CB -1.339 29.104 30.300 0.237 0.000 0.884 1104 R HN 0.259 nan 8.270 nan 0.000 0.462 1105 L N 0.912 122.133 121.223 -0.003 0.000 2.072 1105 L HA 0.009 4.348 4.340 -0.001 0.000 0.205 1105 L C 2.821 179.660 176.870 -0.053 0.000 1.079 1105 L CA 1.124 55.931 54.840 -0.056 0.000 0.752 1105 L CB -0.597 41.371 42.059 -0.151 0.000 0.906 1105 L HN 0.270 nan 8.230 nan 0.000 0.436 1106 A N 0.395 123.168 122.820 -0.078 0.000 1.902 1106 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 1106 A C 2.498 180.205 177.584 0.205 0.000 1.181 1106 A CA 1.676 53.752 52.037 0.065 0.000 0.623 1106 A CB -0.636 18.428 19.000 0.105 0.000 0.818 1106 A HN 0.393 nan 8.150 nan 0.000 0.443 1107 A N -0.056 122.850 122.820 0.145 0.000 2.070 1107 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 1107 A C 1.819 179.465 177.584 0.103 0.000 1.159 1107 A CA 1.470 53.586 52.037 0.132 0.000 0.656 1107 A CB -0.467 18.602 19.000 0.116 0.000 0.800 1107 A HN 0.801 nan 8.150 nan 0.000 0.453 1108 Q N -2.040 117.819 119.800 0.098 0.000 2.206 1108 Q HA 0.440 4.779 4.340 -0.001 0.000 0.265 1108 Q C 0.704 176.769 176.000 0.108 0.000 0.866 1108 Q CA 0.172 56.023 55.803 0.079 0.000 1.073 1108 Q CB -0.288 28.482 28.738 0.053 0.000 1.165 1108 Q HN 0.780 nan 8.270 nan 0.000 0.465 1109 G N 1.401 110.313 108.800 0.187 0.000 2.166 1109 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.260 1109 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.260 1109 G C -0.176 174.936 174.900 0.353 0.000 0.986 1109 G CA 0.562 45.825 45.100 0.272 0.000 0.683 1109 G HN 0.378 nan 8.290 nan 0.000 0.527 1110 K N -0.171 120.326 120.400 0.161 0.000 2.156 1110 K HA 0.384 4.703 4.320 -0.001 0.000 0.250 1110 K C -0.005 176.243 176.600 -0.587 0.000 0.955 1110 K CA -1.045 55.212 56.287 -0.050 0.000 0.855 1110 K CB 0.805 33.265 32.500 -0.067 0.000 1.101 1110 K HN 0.064 nan 8.250 nan 0.000 0.434 1111 N N 3.360 121.678 118.700 -0.636 0.000 2.434 1111 N HA -0.010 4.729 4.740 -0.001 0.000 0.268 1111 N C -1.629 173.511 175.510 -0.616 0.000 1.256 1111 N CA -1.546 50.965 53.050 -0.897 0.000 0.914 1111 N CB 0.695 38.959 38.487 -0.371 0.000 1.088 1111 N HN 0.332 nan 8.380 nan 0.000 0.478 1112 P HA -0.085 nan 4.420 nan 0.000 0.221 1112 P C 0.211 177.186 177.300 -0.541 0.000 1.150 1112 P CA 0.570 63.279 63.100 -0.651 0.000 0.800 1112 P CB 0.085 31.218 31.700 -0.945 0.000 0.787 1113 F N 1.873 121.552 119.950 -0.452 0.000 2.420 1113 F HA 0.284 4.811 4.527 -0.001 0.000 0.352 1113 F C 0.092 175.791 175.800 -0.168 0.000 1.108 1113 F CA -0.226 57.649 58.000 -0.209 0.000 1.162 1113 F CB 0.653 39.598 39.000 -0.091 0.000 1.118 1113 F HN -0.167 nan 8.300 nan 0.000 0.510 1114 Q N 6.565 125.861 119.800 -0.839 0.000 2.304 1114 Q HA 0.424 4.764 4.340 -0.001 0.000 0.270 1114 Q C -1.312 174.297 176.000 -0.652 0.000 1.035 1114 Q CA -0.780 54.704 55.803 -0.531 0.000 0.781 1114 Q CB 2.782 31.353 28.738 -0.278 0.000 1.261 1114 Q HN 0.672 nan 8.270 nan 0.000 0.444 1115 L N 2.814 123.824 121.223 -0.354 0.000 2.276 1115 L HA 0.225 4.564 4.340 -0.001 0.000 0.286 1115 L C 0.029 176.885 176.870 -0.023 0.000 1.061 1115 L CA 0.005 54.749 54.840 -0.159 0.000 0.807 1115 L CB 0.826 42.860 42.059 -0.042 0.000 1.177 1115 L HN 0.776 nan 8.230 nan 0.000 0.429 1116 D N 0.709 121.133 120.400 0.040 0.000 2.389 1116 D HA 0.052 4.691 4.640 -0.001 0.000 0.206 1116 D C 0.575 176.974 176.300 0.164 0.000 1.055 1116 D CA 0.348 54.407 54.000 0.098 0.000 0.856 1116 D CB 0.672 41.535 40.800 0.104 0.000 0.957 1116 D HN 0.546 nan 8.370 nan 0.000 0.509 1117 S N -0.722 115.072 115.700 0.157 0.000 2.726 1117 S HA 0.619 5.088 4.470 -0.001 0.000 0.308 1117 S C -0.061 174.706 174.600 0.278 0.000 1.115 1117 S CA -0.853 57.425 58.200 0.131 0.000 0.965 1117 S CB 2.537 65.670 63.200 -0.111 0.000 1.145 1117 S HN -0.221 nan 8.310 nan 0.000 0.532 1118 K N 0.049 120.550 120.400 0.167 0.000 2.168 1118 K HA 0.722 5.041 4.320 -0.001 0.000 0.239 1118 K C 0.018 176.405 176.600 -0.355 0.000 0.999 1118 K CA -0.835 55.523 56.287 0.118 0.000 0.900 1118 K CB 1.184 33.723 32.500 0.066 0.000 1.111 1118 K HN 0.819 nan 8.250 nan 0.000 0.452 1119 A N 2.078 124.581 122.820 -0.527 0.000 2.555 1119 A HA 0.129 4.448 4.320 -0.001 0.000 0.233 1119 A C -2.156 175.021 177.584 -0.678 0.000 1.060 1119 A CA -0.685 50.693 52.037 -1.099 0.000 0.759 1119 A CB -0.813 17.963 19.000 -0.373 0.000 0.995 1119 A HN 0.385 nan 8.150 nan 0.000 0.506 1120 P HA -0.023 nan 4.420 nan 0.000 0.263 1120 P C -0.195 176.986 177.300 -0.197 0.000 1.175 1120 P CA 0.700 63.606 63.100 -0.324 0.000 0.761 1120 P CB 0.435 32.000 31.700 -0.225 0.000 0.794 1121 D N 1.983 122.302 120.400 -0.136 0.000 2.340 1121 D HA 0.098 4.738 4.640 -0.001 0.000 0.217 1121 D C 1.246 177.516 176.300 -0.051 0.000 1.081 1121 D CA 0.197 54.150 54.000 -0.079 0.000 0.842 1121 D CB -0.616 40.152 40.800 -0.053 0.000 0.934 1121 D HN 0.544 nan 8.370 nan 0.000 0.511 1122 G N 0.483 109.251 108.800 -0.053 0.000 2.143 1122 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.249 1122 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.249 1122 G C 0.899 175.791 174.900 -0.014 0.000 0.981 1122 G CA 0.646 45.730 45.100 -0.027 0.000 0.665 1122 G HN 0.712 nan 8.290 nan 0.000 0.528 1123 S N -1.191 114.498 115.700 -0.019 0.000 2.577 1123 S HA 0.366 4.836 4.470 -0.001 0.000 0.219 1123 S C 1.944 176.559 174.600 0.026 0.000 0.962 1123 S CA 0.999 59.201 58.200 0.004 0.000 0.921 1123 S CB 1.070 64.273 63.200 0.004 0.000 0.789 1123 S HN 1.055 nan 8.310 nan 0.000 0.497 1124 V N 2.036 121.957 119.914 0.011 0.000 2.392 1124 V HA -0.224 3.895 4.120 -0.001 0.000 0.249 1124 V C 2.658 178.784 176.094 0.055 0.000 1.059 1124 V CA 2.730 65.058 62.300 0.046 0.000 1.051 1124 V CB -0.564 31.283 31.823 0.040 0.000 0.658 1124 V HN 0.672 nan 8.190 nan 0.000 0.455 1125 E N 0.875 121.087 120.200 0.020 0.000 2.058 1125 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 1125 E C 2.175 178.771 176.600 -0.007 0.000 0.997 1125 E CA 2.162 58.560 56.400 -0.004 0.000 0.801 1125 E CB -0.447 29.255 29.700 0.003 0.000 0.746 1125 E HN 0.840 nan 8.360 nan 0.000 0.450 1126 E N -0.109 120.104 120.200 0.021 0.000 2.150 1126 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 1126 E C 2.174 178.789 176.600 0.025 0.000 0.985 1126 E CA 0.885 57.297 56.400 0.020 0.000 0.814 1126 E CB -0.758 28.962 29.700 0.033 0.000 0.752 1126 E HN 0.411 nan 8.360 nan 0.000 0.466 1127 F N 2.529 122.416 119.950 -0.104 0.000 2.095 1127 F HA -0.120 4.406 4.527 -0.001 0.000 0.298 1127 F C 2.108 177.798 175.800 -0.183 0.000 1.104 1127 F CA 1.319 59.233 58.000 -0.143 0.000 1.232 1127 F CB -0.260 38.618 39.000 -0.203 0.000 0.987 1127 F HN -0.122 nan 8.300 nan 0.000 0.475 1128 L N -0.581 120.426 121.223 -0.360 0.000 2.005 1128 L HA -0.227 4.112 4.340 -0.001 0.000 0.207 1128 L C 2.456 179.196 176.870 -0.217 0.000 1.072 1128 L CA 1.008 55.500 54.840 -0.580 0.000 0.744 1128 L CB -0.744 40.920 42.059 -0.658 0.000 0.895 1128 L HN 0.144 nan 8.230 nan 0.000 0.433 1129 M N -0.269 119.261 119.600 -0.116 0.000 2.539 1129 M HA -0.074 4.405 4.480 -0.001 0.000 0.261 1129 M C 2.072 178.352 176.300 -0.033 0.000 1.069 1129 M CA 1.007 56.290 55.300 -0.029 0.000 1.081 1129 M CB -1.231 31.360 32.600 -0.015 0.000 1.412 1129 M HN 0.262 nan 8.290 nan 0.000 0.482 1130 A N -0.339 122.430 122.820 -0.086 0.000 2.251 1130 A HA 0.065 4.384 4.320 -0.001 0.000 0.209 1130 A C 0.638 178.175 177.584 -0.078 0.000 1.187 1130 A CA 0.169 52.162 52.037 -0.073 0.000 0.823 1130 A CB -0.078 18.875 19.000 -0.079 0.000 0.846 1130 A HN 0.515 nan 8.150 nan 0.000 0.486 1131 Q N -0.942 118.822 119.800 -0.060 0.000 2.330 1131 Q HA 0.241 4.581 4.340 -0.001 0.000 0.269 1131 Q C -0.047 175.965 176.000 0.020 0.000 1.022 1131 Q CA -0.595 55.194 55.803 -0.023 0.000 0.796 1131 Q CB 1.487 30.219 28.738 -0.010 0.000 1.271 1131 Q HN 0.338 nan 8.270 nan 0.000 0.450 1132 N N 1.888 120.575 118.700 -0.021 0.000 2.289 1132 N HA -0.190 4.550 4.740 -0.001 0.000 0.184 1132 N C 1.490 176.961 175.510 -0.066 0.000 1.016 1132 N CA 1.426 54.459 53.050 -0.028 0.000 0.872 1132 N CB 0.261 38.726 38.487 -0.037 0.000 0.973 1132 N HN 0.532 nan 8.380 nan 0.000 0.433 1133 R N -1.448 118.960 120.500 -0.153 0.000 2.241 1133 R HA -0.074 4.265 4.340 -0.001 0.000 0.224 1133 R C 0.904 176.945 176.300 -0.433 0.000 1.101 1133 R CA 1.257 57.164 56.100 -0.321 0.000 0.995 1133 R CB -0.449 29.570 30.300 -0.467 0.000 0.870 1133 R HN 0.283 nan 8.270 nan 0.000 0.463 1134 F N 0.203 120.132 119.950 -0.034 0.000 2.557 1134 F HA 0.389 4.916 4.527 -0.001 0.000 0.278 1134 F C 2.631 178.427 175.800 -0.007 0.000 1.051 1134 F CA 0.195 58.185 58.000 -0.015 0.000 1.357 1134 F CB -0.122 38.854 39.000 -0.041 0.000 1.104 1134 F HN 0.033 nan 8.300 nan 0.000 0.654 1135 A N 0.722 123.637 122.820 0.158 0.000 1.940 1135 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 1135 A C 2.237 179.854 177.584 0.055 0.000 1.176 1135 A CA 2.215 54.302 52.037 0.084 0.000 0.631 1135 A CB -1.365 17.662 19.000 0.044 0.000 0.814 1135 A HN 0.281 nan 8.150 nan 0.000 0.446 1136 V N -2.318 117.617 119.914 0.034 0.000 2.490 1136 V HA -0.202 3.917 4.120 -0.001 0.000 0.250 1136 V C 2.274 178.402 176.094 0.057 0.000 1.061 1136 V CA 1.984 64.297 62.300 0.022 0.000 1.064 1136 V CB -1.019 30.806 31.823 0.002 0.000 0.670 1136 V HN 0.336 nan 8.190 nan 0.000 0.461 1137 L N 1.350 122.633 121.223 0.101 0.000 2.093 1137 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 1137 L C 2.155 179.122 176.870 0.161 0.000 1.085 1137 L CA 2.416 57.366 54.840 0.183 0.000 0.755 1137 L CB -0.836 41.328 42.059 0.176 0.000 0.904 1137 L HN 0.464 nan 8.230 nan 0.000 0.435 1138 D N -0.925 119.542 120.400 0.111 0.000 2.144 1138 D HA -0.179 4.460 4.640 -0.001 0.000 0.199 1138 D C 2.247 178.566 176.300 0.033 0.000 0.984 1138 D CA 1.206 55.254 54.000 0.080 0.000 0.834 1138 D CB 0.110 40.949 40.800 0.066 0.000 0.955 1138 D HN 0.257 nan 8.370 nan 0.000 0.465 1139 R N -0.464 120.040 120.500 0.007 0.000 2.115 1139 R HA 0.066 4.406 4.340 -0.001 0.000 0.226 1139 R C 2.186 178.418 176.300 -0.113 0.000 1.100 1139 R CA 1.058 57.135 56.100 -0.039 0.000 0.980 1139 R CB 0.040 30.318 30.300 -0.037 0.000 0.875 1139 R HN 0.101 nan 8.270 nan 0.000 0.445 1140 S N -0.166 115.438 115.700 -0.159 0.000 2.427 1140 S HA 0.112 4.581 4.470 -0.001 0.000 0.224 1140 S C 0.166 174.275 174.600 -0.819 0.000 1.047 1140 S CA 0.597 58.503 58.200 -0.491 0.000 0.953 1140 S CB 0.325 63.223 63.200 -0.502 0.000 0.824 1140 S HN 0.121 nan 8.310 nan 0.000 0.502 1141 F N 1.507 121.465 119.950 0.013 0.000 2.710 1141 F HA 0.365 4.891 4.527 -0.001 0.000 0.345 1141 F C -2.019 173.794 175.800 0.022 0.000 1.362 1141 F CA -2.112 55.899 58.000 0.017 0.000 1.175 1141 F CB 1.139 40.151 39.000 0.019 0.000 1.561 1141 F HN -0.035 nan 8.300 nan 0.000 0.593 1142 P HA -0.232 nan 4.420 nan 0.000 0.217 1142 P C 1.162 178.517 177.300 0.093 0.000 1.151 1142 P CA 1.747 64.897 63.100 0.082 0.000 0.849 1142 P CB 0.565 32.289 31.700 0.039 0.000 0.787 1143 E N 0.466 120.728 120.200 0.103 0.000 2.023 1143 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 1143 E C 1.829 178.481 176.600 0.086 0.000 1.003 1143 E CA 1.365 57.816 56.400 0.085 0.000 0.809 1143 E CB -0.965 28.786 29.700 0.085 0.000 0.755 1143 E HN 0.307 nan 8.360 nan 0.000 0.449 1144 D N 0.693 121.158 120.400 0.109 0.000 2.117 1144 D HA -0.087 4.552 4.640 -0.001 0.000 0.197 1144 D C 1.853 178.207 176.300 0.090 0.000 0.987 1144 D CA 1.468 55.515 54.000 0.079 0.000 0.829 1144 D CB -0.410 40.416 40.800 0.044 0.000 0.961 1144 D HN 0.177 nan 8.370 nan 0.000 0.460 1145 A N 1.165 124.060 122.820 0.124 0.000 1.883 1145 A HA -0.269 4.050 4.320 -0.001 0.000 0.217 1145 A C 2.057 179.698 177.584 0.096 0.000 1.186 1145 A CA 2.054 54.166 52.037 0.125 0.000 0.624 1145 A CB -0.615 18.468 19.000 0.138 0.000 0.822 1145 A HN 0.199 nan 8.150 nan 0.000 0.444 1146 K N -0.505 119.942 120.400 0.077 0.000 2.009 1146 K HA -0.228 4.091 4.320 -0.001 0.000 0.210 1146 K C 2.361 178.993 176.600 0.053 0.000 1.049 1146 K CA 1.799 58.120 56.287 0.057 0.000 0.929 1146 K CB -0.283 32.245 32.500 0.046 0.000 0.714 1146 K HN 0.433 nan 8.250 nan 0.000 0.440 1147 R N 0.586 121.117 120.500 0.052 0.000 2.081 1147 R HA -0.098 4.242 4.340 -0.001 0.000 0.235 1147 R C 2.442 178.776 176.300 0.056 0.000 1.131 1147 R CA 1.420 57.546 56.100 0.044 0.000 0.960 1147 R CB -0.206 30.117 30.300 0.037 0.000 0.856 1147 R HN 0.267 nan 8.270 nan 0.000 0.436 1148 L N -0.070 121.197 121.223 0.073 0.000 2.093 1148 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 1148 L C 2.636 179.568 176.870 0.103 0.000 1.085 1148 L CA 1.181 56.077 54.840 0.095 0.000 0.755 1148 L CB -0.325 41.804 42.059 0.116 0.000 0.904 1148 L HN 0.184 nan 8.230 nan 0.000 0.435 1149 R N -0.102 120.449 120.500 0.086 0.000 2.115 1149 R HA -0.065 4.275 4.340 -0.001 0.000 0.230 1149 R C 2.356 178.687 176.300 0.053 0.000 1.111 1149 R CA 1.153 57.284 56.100 0.051 0.000 0.976 1149 R CB -0.330 29.983 30.300 0.023 0.000 0.870 1149 R HN 0.325 nan 8.270 nan 0.000 0.445 1150 A N 0.937 123.791 122.820 0.056 0.000 1.929 1150 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 1150 A C 2.078 179.712 177.584 0.084 0.000 1.176 1150 A CA 0.984 53.055 52.037 0.056 0.000 0.628 1150 A CB -0.351 18.672 19.000 0.037 0.000 0.816 1150 A HN 0.305 nan 8.150 nan 0.000 0.444 1151 Q N -0.226 119.626 119.800 0.087 0.000 2.084 1151 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 1151 Q C 1.935 178.023 176.000 0.147 0.000 0.978 1151 Q CA 1.814 57.687 55.803 0.117 0.000 0.844 1151 Q CB -0.188 28.608 28.738 0.097 0.000 0.898 1151 Q HN 0.410 nan 8.270 nan 0.000 0.426 1152 V N 0.855 120.844 119.914 0.126 0.000 2.295 1152 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 1152 V C 2.349 178.514 176.094 0.118 0.000 1.049 1152 V CA 1.828 64.208 62.300 0.132 0.000 1.024 1152 V CB -1.018 30.890 31.823 0.142 0.000 0.648 1152 V HN 0.525 nan 8.190 nan 0.000 0.447 1153 A N -1.138 121.746 122.820 0.106 0.000 1.940 1153 A HA -0.303 4.016 4.320 -0.001 0.000 0.219 1153 A C 2.239 179.887 177.584 0.107 0.000 1.176 1153 A CA 2.095 54.187 52.037 0.091 0.000 0.631 1153 A CB -0.881 18.163 19.000 0.073 0.000 0.814 1153 A HN 0.747 nan 8.150 nan 0.000 0.446 1154 H N -0.270 118.820 119.070 0.033 0.000 2.363 1154 H HA -0.080 4.476 4.556 -0.001 0.000 0.301 1154 H C 1.937 177.281 175.328 0.027 0.000 1.074 1154 H CA 1.640 57.704 56.048 0.026 0.000 1.354 1154 H CB 0.062 29.837 29.762 0.022 0.000 1.397 1154 H HN 0.656 nan 8.280 nan 0.000 0.516 1155 E N 0.596 120.777 120.200 -0.032 0.000 2.058 1155 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 1155 E C 2.481 179.029 176.600 -0.088 0.000 0.997 1155 E CA 1.554 57.900 56.400 -0.089 0.000 0.801 1155 E CB -0.130 29.575 29.700 0.008 0.000 0.746 1155 E HN 0.477 nan 8.360 nan 0.000 0.450 1156 L N 0.037 121.244 121.223 -0.026 0.000 2.217 1156 L HA -0.017 4.322 4.340 -0.001 0.000 0.211 1156 L C 1.878 178.757 176.870 0.014 0.000 1.107 1156 L CA 1.909 56.748 54.840 -0.002 0.000 0.783 1156 L CB -0.508 41.566 42.059 0.025 0.000 0.919 1156 L HN -0.098 nan 8.230 nan 0.000 0.442 1157 D N 0.414 120.799 120.400 -0.025 0.000 2.097 1157 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 1157 D C 1.996 178.283 176.300 -0.022 0.000 0.984 1157 D CA 1.580 55.574 54.000 -0.010 0.000 0.826 1157 D CB -0.034 40.756 40.800 -0.017 0.000 0.973 1157 D HN 0.139 nan 8.370 nan 0.000 0.460 1158 V N 0.213 120.039 119.914 -0.148 0.000 2.358 1158 V HA -0.167 3.952 4.120 -0.001 0.000 0.246 1158 V C 2.638 178.681 176.094 -0.085 0.000 1.047 1158 V CA 1.908 64.118 62.300 -0.151 0.000 1.035 1158 V CB -0.583 31.073 31.823 -0.277 0.000 0.658 1158 V HN 0.193 nan 8.190 nan 0.000 0.452 1159 R N -0.696 119.761 120.500 -0.071 0.000 2.081 1159 R HA -0.181 4.158 4.340 -0.001 0.000 0.235 1159 R C 2.199 178.478 176.300 -0.035 0.000 1.131 1159 R CA 1.849 57.909 56.100 -0.066 0.000 0.960 1159 R CB -0.433 29.833 30.300 -0.057 0.000 0.856 1159 R HN 0.434 nan 8.270 nan 0.000 0.436 1160 F N 1.426 121.333 119.950 -0.073 0.000 2.134 1160 F HA -0.136 4.391 4.527 -0.001 0.000 0.299 1160 F C 1.856 177.635 175.800 -0.035 0.000 1.097 1160 F CA 1.699 59.676 58.000 -0.038 0.000 1.264 1160 F CB 0.033 39.019 39.000 -0.023 0.000 1.001 1160 F HN -0.054 nan 8.300 nan 0.000 0.479 1161 K N -0.348 120.106 120.400 0.090 0.000 2.097 1161 K HA -0.243 4.076 4.320 -0.001 0.000 0.206 1161 K C 1.997 178.557 176.600 -0.067 0.000 1.049 1161 K CA 1.593 57.896 56.287 0.027 0.000 0.933 1161 K CB -0.255 32.264 32.500 0.033 0.000 0.717 1161 K HN 0.170 nan 8.250 nan 0.000 0.442 1162 E N 1.419 121.551 120.200 -0.114 0.000 2.072 1162 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 1162 E C 1.735 178.184 176.600 -0.251 0.000 0.985 1162 E CA 1.208 57.515 56.400 -0.156 0.000 0.801 1162 E CB -0.218 29.373 29.700 -0.182 0.000 0.750 1162 E HN 0.218 nan 8.360 nan 0.000 0.452 1163 L N 0.344 121.358 121.223 -0.349 0.000 2.083 1163 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 1163 L C 2.448 179.126 176.870 -0.320 0.000 1.083 1163 L CA 1.502 56.060 54.840 -0.470 0.000 0.752 1163 L CB -0.486 41.320 42.059 -0.421 0.000 0.899 1163 L HN 0.199 nan 8.230 nan 0.000 0.433 1164 E N -0.651 119.375 120.200 -0.290 0.000 2.072 1164 E HA -0.273 4.077 4.350 -0.001 0.000 0.191 1164 E C 2.050 178.598 176.600 -0.086 0.000 0.985 1164 E CA 1.397 57.706 56.400 -0.153 0.000 0.801 1164 E CB -0.193 29.461 29.700 -0.077 0.000 0.750 1164 E HN 0.515 nan 8.360 nan 0.000 0.452 1165 H N 0.766 119.748 119.070 -0.146 0.000 2.353 1165 H HA -0.069 4.487 4.556 -0.001 0.000 0.300 1165 H C 2.037 177.282 175.328 -0.139 0.000 1.090 1165 H CA 1.818 57.796 56.048 -0.117 0.000 1.327 1165 H CB -0.063 29.625 29.762 -0.124 0.000 1.383 1165 H HN 0.032 nan 8.280 nan 0.000 0.508 1166 M N -0.197 119.177 119.600 -0.376 0.000 2.108 1166 M HA -0.169 4.311 4.480 -0.001 0.000 0.261 1166 M C 2.517 178.663 176.300 -0.257 0.000 1.066 1166 M CA 1.678 56.685 55.300 -0.488 0.000 1.107 1166 M CB -0.258 31.765 32.600 -0.962 0.000 1.356 1166 M HN 0.503 nan 8.290 nan 0.000 0.406 1167 A N -0.366 122.427 122.820 -0.045 0.000 2.168 1167 A HA 0.164 4.484 4.320 -0.001 0.000 0.215 1167 A C 2.079 179.650 177.584 -0.022 0.000 1.152 1167 A CA 1.554 53.671 52.037 0.134 0.000 0.716 1167 A CB -0.535 18.565 19.000 0.166 0.000 0.794 1167 A HN 0.518 nan 8.150 nan 0.000 0.465 1168 A N -1.805 120.941 122.820 -0.123 0.000 2.288 1168 A HA 0.335 4.654 4.320 -0.001 0.000 0.216 1168 A C 1.253 178.757 177.584 -0.134 0.000 1.199 1168 A CA 0.743 52.718 52.037 -0.104 0.000 0.891 1168 A CB -0.417 18.535 19.000 -0.079 0.000 0.923 1168 A HN 0.304 nan 8.150 nan 0.000 0.500 1169 T N 0.375 114.775 114.554 -0.257 0.000 2.903 1169 T HA 0.063 4.412 4.350 -0.001 0.000 0.314 1169 T C 0.713 175.452 174.700 0.065 0.000 1.078 1169 T CA 0.493 62.489 62.100 -0.172 0.000 1.114 1169 T CB -0.014 68.718 68.868 -0.227 0.000 0.987 1169 T HN 0.518 nan 8.240 nan 0.000 0.548 1170 N N 2.052 120.811 118.700 0.099 0.000 2.187 1170 N HA 0.192 4.931 4.740 -0.001 0.000 0.212 1170 N C -0.662 174.872 175.510 0.040 0.000 1.152 1170 N CA -0.344 52.798 53.050 0.153 0.000 0.872 1170 N CB 0.474 38.990 38.487 0.048 0.000 1.025 1170 N HN 0.372 nan 8.380 nan 0.000 0.514 1171 I N 2.493 123.137 120.570 0.124 0.000 2.307 1171 I HA 0.339 4.508 4.170 -0.001 0.000 0.289 1171 I C -0.670 175.581 176.117 0.223 0.000 1.021 1171 I CA -0.428 60.894 61.300 0.036 0.000 1.224 1171 I CB -0.927 37.102 38.000 0.047 0.000 1.376 1171 I HN 0.004 nan 8.210 nan 0.000 0.470 1172 F N 2.842 122.807 119.950 0.025 0.000 2.746 1172 F HA 0.453 4.979 4.527 -0.000 0.000 0.311 1172 F C -0.645 175.192 175.800 0.062 0.000 1.135 1172 F CA -1.161 56.867 58.000 0.047 0.000 0.954 1172 F CB 0.701 39.727 39.000 0.044 0.000 1.276 1172 F HN 0.264 nan 8.300 nan 0.000 0.440 1173 E N 1.242 121.597 120.200 0.259 0.000 2.316 1173 E HA 0.459 4.809 4.350 -0.001 0.000 0.275 1173 E C -0.473 176.289 176.600 0.270 0.000 1.029 1173 E CA 0.041 56.557 56.400 0.194 0.000 0.871 1173 E CB 1.129 30.948 29.700 0.198 0.000 1.022 1173 E HN 0.671 nan 8.360 nan 0.000 0.418 1174 S N 3.066 118.885 115.700 0.199 0.000 2.472 1174 S HA 0.253 4.722 4.470 -0.001 0.000 0.191 1174 S C -0.770 173.950 174.600 0.200 0.000 1.244 1174 S CA -0.759 57.565 58.200 0.206 0.000 1.227 1174 S CB -0.106 63.185 63.200 0.152 0.000 1.381 1174 S HN 0.350 nan 8.310 nan 0.000 0.394 1175 F N 2.417 122.410 119.950 0.071 0.000 2.452 1175 F HA 0.800 5.326 4.527 -0.001 0.000 0.353 1175 F C 0.700 176.530 175.800 0.049 0.000 1.089 1175 F CA -0.669 57.359 58.000 0.048 0.000 1.080 1175 F CB 0.688 39.713 39.000 0.043 0.000 1.399 1175 F HN 0.461 nan 8.300 nan 0.000 0.492 1176 A N 2.544 125.090 122.820 -0.457 0.000 2.584 1176 A HA 0.122 4.441 4.320 -0.001 0.000 0.239 1176 A C -1.836 175.775 177.584 0.046 0.000 1.043 1176 A CA -0.527 51.378 52.037 -0.220 0.000 0.756 1176 A CB -0.929 17.920 19.000 -0.252 0.000 0.963 1176 A HN 0.668 nan 8.150 nan 0.000 0.511 1177 P HA 0.058 nan 4.420 nan 0.000 0.216 1177 P C 0.766 178.084 177.300 0.030 0.000 1.153 1177 P CA 2.244 65.369 63.100 0.041 0.000 0.848 1177 P CB 0.244 31.950 31.700 0.010 0.000 0.787 1178 A N -3.111 119.717 122.820 0.012 0.000 3.456 1178 A HA 0.533 4.853 4.320 -0.001 0.000 0.078 1178 A C -0.211 177.374 177.584 0.001 0.000 1.411 1178 A CA 0.116 52.155 52.037 0.003 0.000 2.172 1178 A CB -0.501 18.482 19.000 -0.029 0.000 2.311 1178 A HN 0.380 nan 8.150 nan 0.000 1.006 1179 G N -1.647 107.146 108.800 -0.012 0.000 2.731 1179 G HA2 0.557 4.517 3.960 -0.001 0.000 0.686 1179 G HA3 0.557 4.517 3.960 -0.001 0.000 0.686 1179 G C 0.951 175.851 174.900 0.000 0.000 1.395 1179 G CA 0.819 45.914 45.100 -0.009 0.000 0.870 1179 G HN 3.112 nan 8.290 nan 0.000 0.591 1180 G N 0.370 109.170 108.800 -0.000 0.000 2.456 1180 G HA2 0.334 4.293 3.960 -0.001 0.000 0.204 1180 G HA3 0.334 4.293 3.960 -0.001 0.000 0.204 1180 G C 0.740 175.643 174.900 0.004 0.000 1.193 1180 G CA 1.036 46.139 45.100 0.005 0.000 1.220 1180 G HN 2.028 nan 8.290 nan 0.000 0.565 1181 K N -1.565 118.838 120.400 0.004 0.000 10.400 1181 K HA -0.049 4.270 4.320 -0.001 0.000 0.519 1181 K C 1.516 178.121 176.600 0.008 0.000 0.379 1181 K CA 2.427 58.717 56.287 0.004 0.000 1.949 1181 K CB -1.818 30.686 32.500 0.006 0.000 0.742 1181 K HN 2.858 nan 8.250 nan 0.000 1.161 1182 A N 1.242 124.068 122.820 0.009 0.000 6.359 1182 A HA -0.221 4.099 4.320 -0.001 0.000 0.256 1182 A C -0.339 177.251 177.584 0.009 0.000 2.122 1182 A CA 1.547 53.589 52.037 0.008 0.000 0.707 1182 A CB -0.889 18.116 19.000 0.007 0.000 1.048 1182 A HN 0.652 nan 8.150 nan 0.000 0.373 1183 D N -0.998 119.406 120.400 0.007 0.000 2.391 1183 D HA 0.643 5.282 4.640 -0.001 0.000 0.245 1183 D C 0.100 176.404 176.300 0.005 0.000 1.069 1183 D CA 1.586 55.590 54.000 0.007 0.000 0.831 1183 D CB 1.232 42.035 40.800 0.005 0.000 1.204 1183 D HN 2.116 nan 8.370 nan 0.000 0.503 1184 G N 1.512 110.315 108.800 0.005 0.000 2.357 1184 G HA2 0.426 4.385 3.960 -0.001 0.000 0.643 1184 G HA3 0.426 4.385 3.960 -0.001 0.000 0.643 1184 G C -0.963 173.940 174.900 0.006 0.000 1.358 1184 G CA -0.322 44.780 45.100 0.004 0.000 0.986 1184 G HN 1.107 nan 8.290 nan 0.000 0.620 1185 S N -2.310 113.392 115.700 0.004 0.000 2.643 1185 S HA 0.905 5.374 4.470 -0.001 0.000 0.270 1185 S C -1.435 173.168 174.600 0.004 0.000 1.166 1185 S CA -0.063 58.142 58.200 0.008 0.000 0.815 1185 S CB 1.903 65.108 63.200 0.010 0.000 1.139 1185 S HN 2.382 nan 8.310 nan 0.000 0.472 1186 V N 0.685 120.604 119.914 0.009 0.000 3.012 1186 V HA 0.599 4.718 4.120 -0.001 0.000 0.307 1186 V C -1.605 174.490 176.094 0.001 0.000 1.166 1186 V CA -0.560 61.740 62.300 -0.000 0.000 0.974 1186 V CB 1.990 33.816 31.823 0.006 0.000 1.040 1186 V HN 1.183 nan 8.190 nan 0.000 0.428 1187 D N 2.966 123.339 120.400 -0.045 0.000 2.345 1187 D HA 0.234 4.874 4.640 -0.001 0.000 0.247 1187 D C 1.075 177.314 176.300 -0.102 0.000 1.108 1187 D CA 0.045 53.977 54.000 -0.114 0.000 0.894 1187 D CB 0.924 41.589 40.800 -0.225 0.000 1.203 1187 D HN 0.499 nan 8.370 nan 0.000 0.430 1188 F N 1.356 121.307 119.950 0.002 0.000 2.373 1188 F HA 0.143 4.670 4.527 -0.001 0.000 0.300 1188 F C 1.664 177.469 175.800 0.008 0.000 1.080 1188 F CA 0.625 58.628 58.000 0.004 0.000 1.417 1188 F CB -0.541 38.461 39.000 0.002 0.000 1.070 1188 F HN 0.300 nan 8.300 nan 0.000 0.546 1189 G N -0.169 108.393 108.800 -0.398 0.000 2.986 1189 G HA2 0.045 4.005 3.960 -0.001 0.000 0.213 1189 G HA3 0.045 4.005 3.960 -0.001 0.000 0.213 1189 G C 0.175 175.015 174.900 -0.099 0.000 1.156 1189 G CA -0.402 44.583 45.100 -0.192 0.000 0.763 1189 G HN 0.377 nan 8.290 nan 0.000 0.547 1190 E N 0.534 120.674 120.200 -0.101 0.000 2.493 1190 E HA 0.326 4.675 4.350 -0.001 0.000 0.255 1190 E C 1.301 177.890 176.600 -0.019 0.000 0.999 1190 E CA 0.528 56.893 56.400 -0.058 0.000 0.934 1190 E CB 0.389 30.059 29.700 -0.051 0.000 0.940 1190 E HN 0.265 nan 8.360 nan 0.000 0.473 1191 G N 2.595 111.383 108.800 -0.020 0.000 2.166 1191 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.260 1191 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.260 1191 G C 0.393 175.300 174.900 0.012 0.000 0.986 1191 G CA 0.117 45.213 45.100 -0.006 0.000 0.683 1191 G HN 0.768 nan 8.290 nan 0.000 0.527 1192 A N -0.571 122.263 122.820 0.024 0.000 2.445 1192 A HA 0.638 4.957 4.320 -0.001 0.000 0.242 1192 A C 1.147 178.762 177.584 0.051 0.000 1.075 1192 A CA 1.038 53.114 52.037 0.065 0.000 0.777 1192 A CB 0.325 19.382 19.000 0.095 0.000 1.013 1192 A HN 0.363 nan 8.150 nan 0.000 0.493 1193 E N 0.278 120.536 120.200 0.097 0.000 2.285 1193 E HA 0.127 4.476 4.350 -0.001 0.000 0.194 1193 E C -0.654 175.840 176.600 -0.176 0.000 0.997 1193 E CA 0.998 57.400 56.400 0.002 0.000 0.845 1193 E CB -0.037 29.725 29.700 0.105 0.000 0.782 1193 E HN 0.611 nan 8.360 nan 0.000 0.491 1194 F N -1.380 118.578 119.950 0.013 0.000 2.611 1194 F HA 0.332 4.858 4.527 -0.002 0.000 0.324 1194 F C -0.013 175.799 175.800 0.020 0.000 1.061 1194 F CA -1.623 56.385 58.000 0.014 0.000 0.954 1194 F CB 0.858 39.867 39.000 0.015 0.000 1.301 1194 F HN -0.307 nan 8.300 nan 0.000 0.482 1195 c N 1.177 119.901 118.600 0.207 0.000 2.563 1195 c HA 0.132 4.702 4.570 -0.001 0.000 0.411 1195 c C 1.643 175.822 174.090 0.148 0.000 1.386 1195 c CA 0.363 56.769 56.329 0.128 0.000 1.703 1195 c CB -0.187 42.385 42.510 0.103 0.000 2.596 1195 c HN 0.903 nan 8.230 nan 0.000 0.605 1196 T N 2.065 116.697 114.554 0.131 0.000 2.985 1196 T HA 0.144 4.494 4.350 -0.001 0.000 0.254 1196 T C 0.748 175.585 174.700 0.228 0.000 1.021 1196 T CA 0.460 62.677 62.100 0.196 0.000 0.957 1196 T CB 0.029 69.024 68.868 0.212 0.000 1.047 1196 T HN 0.654 nan 8.240 nan 0.000 0.511 1197 R N 1.678 122.263 120.500 0.142 0.000 2.854 1197 R HA 0.492 4.831 4.340 -0.001 0.000 0.271 1197 R C -1.074 175.273 176.300 0.078 0.000 0.994 1197 R CA -0.888 55.287 56.100 0.126 0.000 0.945 1197 R CB 1.362 31.718 30.300 0.094 0.000 1.194 1197 R HN 0.222 nan 8.270 nan 0.000 0.476 1198 D N -0.907 119.530 120.400 0.062 0.000 2.539 1198 D HA 0.077 4.717 4.640 -0.001 0.000 0.276 1198 D C -0.244 176.075 176.300 0.032 0.000 1.206 1198 D CA -0.479 53.547 54.000 0.043 0.000 1.081 1198 D CB 0.501 41.321 40.800 0.033 0.000 1.142 1198 D HN 0.283 nan 8.370 nan 0.000 0.595 1199 D N -0.893 119.522 120.400 0.024 0.000 2.561 1199 D HA 0.138 4.777 4.640 -0.001 0.000 0.232 1199 D C -0.238 176.070 176.300 0.014 0.000 1.198 1199 D CA 0.008 54.019 54.000 0.018 0.000 0.826 1199 D CB -0.109 40.701 40.800 0.016 0.000 0.992 1199 D HN 0.217 nan 8.370 nan 0.000 0.490 1200 T N 0.716 115.279 114.554 0.015 0.000 2.929 1200 T HA 0.240 4.589 4.350 -0.001 0.000 0.284 1200 T C -1.528 173.176 174.700 0.007 0.000 1.014 1200 T CA -1.472 60.634 62.100 0.010 0.000 1.051 1200 T CB 2.277 71.151 68.868 0.010 0.000 1.028 1200 T HN -0.167 nan 8.240 nan 0.000 0.485 1201 P HA 0.060 nan 4.420 nan 0.000 0.223 1201 P C 1.399 178.696 177.300 -0.004 0.000 1.151 1201 P CA 0.942 64.040 63.100 -0.004 0.000 0.787 1201 P CB 0.049 31.743 31.700 -0.010 0.000 0.788 1202 M N -2.209 117.390 119.600 -0.002 0.000 2.229 1202 M HA -0.048 4.431 4.480 -0.001 0.000 0.264 1202 M C 1.857 178.164 176.300 0.012 0.000 1.063 1202 M CA 1.616 56.916 55.300 -0.001 0.000 1.114 1202 M CB -0.483 32.115 32.600 -0.003 0.000 1.387 1202 M HN -0.047 nan 8.290 nan 0.000 0.420 1203 M N -0.324 119.288 119.600 0.021 0.000 2.502 1203 M HA 0.204 4.683 4.480 -0.001 0.000 0.243 1203 M C 0.662 176.978 176.300 0.027 0.000 1.130 1203 M CA -0.251 55.072 55.300 0.038 0.000 1.055 1203 M CB -0.051 32.581 32.600 0.055 0.000 1.457 1203 M HN 0.102 nan 8.290 nan 0.000 0.488 1204 A N 2.284 125.111 122.820 0.013 0.000 2.546 1204 A HA 0.283 4.603 4.320 -0.001 0.000 0.243 1204 A C 0.213 177.797 177.584 -0.000 0.000 1.063 1204 A CA 0.446 52.485 52.037 0.004 0.000 0.757 1204 A CB 0.226 19.226 19.000 -0.001 0.000 0.991 1204 A HN 0.330 nan 8.150 nan 0.000 0.503 1205 R N 1.786 122.281 120.500 -0.007 0.000 2.836 1205 R HA 0.379 4.718 4.340 -0.001 0.000 0.269 1205 R C -2.258 174.031 176.300 -0.018 0.000 1.010 1205 R CA -1.899 54.194 56.100 -0.013 0.000 0.930 1205 R CB 0.348 30.637 30.300 -0.018 0.000 1.218 1205 R HN 0.365 nan 8.270 nan 0.000 0.473 1206 P HA -0.147 nan 4.420 nan 0.000 0.216 1206 P C 0.126 177.412 177.300 -0.024 0.000 1.154 1206 P CA 1.430 64.519 63.100 -0.020 0.000 0.865 1206 P CB 0.300 31.989 31.700 -0.019 0.000 0.789 1207 D N -1.441 118.940 120.400 -0.032 0.000 2.340 1207 D HA 0.040 4.680 4.640 -0.001 0.000 0.217 1207 D C 0.697 176.972 176.300 -0.041 0.000 1.081 1207 D CA 0.302 54.279 54.000 -0.037 0.000 0.842 1207 D CB 0.022 40.795 40.800 -0.046 0.000 0.934 1207 D HN 0.267 nan 8.370 nan 0.000 0.511 1208 S N -1.093 114.586 115.700 -0.036 0.000 2.645 1208 S HA 0.514 4.983 4.470 -0.001 0.000 0.266 1208 S C 1.250 175.836 174.600 -0.023 0.000 1.258 1208 S CA 0.316 58.496 58.200 -0.033 0.000 0.990 1208 S CB 2.099 65.285 63.200 -0.024 0.000 0.967 1208 S HN 0.226 nan 8.310 nan 0.000 0.556 1209 G N -0.442 108.346 108.800 -0.019 0.000 2.205 1209 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.180 1209 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.180 1209 G C -0.207 174.683 174.900 -0.016 0.000 1.004 1209 G CA 0.004 45.095 45.100 -0.014 0.000 0.670 1209 G HN 0.916 nan 8.290 nan 0.000 0.496 1210 E N 0.641 120.829 120.200 -0.021 0.000 2.374 1210 E HA 0.622 4.971 4.350 -0.001 0.000 0.260 1210 E C 0.940 177.528 176.600 -0.020 0.000 1.101 1210 E CA 0.026 56.412 56.400 -0.023 0.000 0.907 1210 E CB 0.792 30.474 29.700 -0.030 0.000 1.014 1210 E HN 0.645 nan 8.360 nan 0.000 0.427 1211 A N 2.081 124.888 122.820 -0.022 0.000 2.425 1211 A HA 0.410 4.730 4.320 -0.001 0.000 0.249 1211 A C -0.324 177.243 177.584 -0.029 0.000 1.084 1211 A CA -0.251 51.773 52.037 -0.022 0.000 0.781 1211 A CB -0.324 18.662 19.000 -0.024 0.000 1.019 1211 A HN 0.736 nan 8.150 nan 0.000 0.490 1212 c N 0.259 118.843 118.600 -0.026 0.000 3.311 1212 c HA 0.651 5.221 4.570 -0.001 0.000 0.325 1212 c C -0.746 173.321 174.090 -0.037 0.000 1.352 1212 c CA -1.008 55.298 56.329 -0.040 0.000 1.308 1212 c CB 1.161 43.662 42.510 -0.014 0.000 1.619 1212 c HN 0.826 nan 8.230 nan 0.000 0.469 1213 D N 0.830 121.177 120.400 -0.089 0.000 2.339 1213 D HA 0.118 4.758 4.640 -0.001 0.000 0.256 1213 D C 0.357 176.726 176.300 0.114 0.000 1.214 1213 D CA 0.708 54.667 54.000 -0.069 0.000 0.877 1213 D CB 1.149 41.734 40.800 -0.358 0.000 1.111 1213 D HN 0.758 nan 8.370 nan 0.000 0.478 1214 Q N 3.137 123.007 119.800 0.117 0.000 2.282 1214 Q HA 0.043 4.383 4.340 -0.001 0.000 0.205 1214 Q C -0.183 175.911 176.000 0.157 0.000 0.915 1214 Q CA -0.097 55.786 55.803 0.133 0.000 0.949 1214 Q CB -0.078 28.704 28.738 0.073 0.000 1.035 1214 Q HN 0.493 nan 8.270 nan 0.000 0.484 1215 N N 0.292 119.146 118.700 0.256 0.000 2.776 1215 N HA -0.201 4.538 4.740 -0.001 0.000 0.250 1215 N C -0.280 175.284 175.510 0.091 0.000 1.112 1215 N CA 0.908 54.061 53.050 0.171 0.000 0.733 1215 N CB -0.634 37.877 38.487 0.039 0.000 1.097 1215 N HN 0.442 nan 8.380 nan 0.000 0.558 1216 R N -0.305 120.250 120.500 0.092 0.000 2.362 1216 R HA 0.304 4.644 4.340 -0.001 0.000 0.227 1216 R C 1.411 177.743 176.300 0.054 0.000 0.905 1216 R CA 0.741 56.874 56.100 0.055 0.000 1.067 1216 R CB 0.554 30.880 30.300 0.043 0.000 1.078 1216 R HN 0.217 nan 8.270 nan 0.000 0.516 1217 A N 0.503 123.370 122.820 0.079 0.000 2.508 1217 A HA 0.476 4.795 4.320 -0.001 0.000 0.257 1217 A C 0.658 178.287 177.584 0.075 0.000 1.226 1217 A CA 0.241 52.319 52.037 0.067 0.000 0.947 1217 A CB 0.586 19.625 19.000 0.065 0.000 1.079 1217 A HN 0.323 nan 8.150 nan 0.000 0.531 1218 G N -1.035 107.812 108.800 0.079 0.000 2.685 1218 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.387 1218 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.387 1218 G C -0.058 174.899 174.900 0.094 0.000 1.324 1218 G CA -0.427 44.709 45.100 0.059 0.000 0.878 1218 G HN 0.576 nan 8.290 nan 0.000 0.527 1219 T N 0.328 114.909 114.554 0.045 0.000 2.855 1219 T HA 0.383 4.732 4.350 -0.001 0.000 0.314 1219 T C 2.042 176.832 174.700 0.151 0.000 1.077 1219 T CA 0.701 62.828 62.100 0.047 0.000 1.095 1219 T CB 0.837 69.705 68.868 -0.000 0.000 0.987 1219 T HN 0.876 nan 8.240 nan 0.000 0.546 1220 S N 0.964 116.797 115.700 0.222 0.000 2.370 1220 S HA -0.151 4.319 4.470 -0.001 0.000 0.226 1220 S C 2.012 176.673 174.600 0.102 0.000 1.033 1220 S CA 1.518 59.844 58.200 0.210 0.000 1.011 1220 S CB -0.257 63.073 63.200 0.217 0.000 0.852 1220 S HN 0.830 nan 8.310 nan 0.000 0.457 1221 E N 0.933 121.176 120.200 0.072 0.000 2.072 1221 E HA -0.195 4.154 4.350 -0.001 0.000 0.191 1221 E C 2.057 178.679 176.600 0.036 0.000 0.985 1221 E CA 0.984 57.409 56.400 0.043 0.000 0.801 1221 E CB -0.112 29.605 29.700 0.028 0.000 0.750 1221 E HN 0.565 nan 8.360 nan 0.000 0.452 1222 Q N 0.043 119.867 119.800 0.039 0.000 2.124 1222 Q HA -0.194 4.146 4.340 -0.001 0.000 0.202 1222 Q C 2.300 178.321 176.000 0.035 0.000 0.977 1222 Q CA 1.587 57.409 55.803 0.031 0.000 0.850 1222 Q CB -0.024 28.731 28.738 0.028 0.000 0.901 1222 Q HN 0.406 nan 8.270 nan 0.000 0.429 1223 Q N -0.416 119.414 119.800 0.050 0.000 2.079 1223 Q HA -0.098 4.242 4.340 -0.001 0.000 0.200 1223 Q C 2.214 178.231 176.000 0.028 0.000 0.974 1223 Q CA 1.172 57.000 55.803 0.042 0.000 0.840 1223 Q CB -0.197 28.574 28.738 0.055 0.000 0.898 1223 Q HN 0.490 nan 8.270 nan 0.000 0.430 1224 G N 1.042 109.860 108.800 0.029 0.000 2.418 1224 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.217 1224 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.217 1224 G C 0.964 175.873 174.900 0.015 0.000 1.158 1224 G CA 1.230 46.342 45.100 0.019 0.000 0.771 1224 G HN 0.380 nan 8.290 nan 0.000 0.545 1225 D N -0.218 120.192 120.400 0.017 0.000 2.117 1225 D HA -0.101 4.539 4.640 -0.001 0.000 0.198 1225 D C 2.293 178.600 176.300 0.011 0.000 0.982 1225 D CA 0.666 54.673 54.000 0.012 0.000 0.828 1225 D CB -0.216 40.591 40.800 0.012 0.000 0.967 1225 D HN 0.153 nan 8.370 nan 0.000 0.464 1226 L N 0.042 121.273 121.223 0.013 0.000 2.083 1226 L HA -0.064 4.276 4.340 -0.001 0.000 0.209 1226 L C 2.276 179.151 176.870 0.008 0.000 1.083 1226 L CA 1.749 56.596 54.840 0.011 0.000 0.752 1226 L CB -1.135 40.932 42.059 0.014 0.000 0.899 1226 L HN 0.045 nan 8.230 nan 0.000 0.433 1227 S N -0.909 114.796 115.700 0.008 0.000 2.368 1227 S HA -0.249 4.221 4.470 -0.001 0.000 0.225 1227 S C 2.194 176.796 174.600 0.004 0.000 1.030 1227 S CA 1.644 59.847 58.200 0.005 0.000 0.999 1227 S CB -0.258 62.944 63.200 0.004 0.000 0.844 1227 S HN 0.515 nan 8.310 nan 0.000 0.459 1228 K N 0.172 120.575 120.400 0.005 0.000 2.097 1228 K HA 0.016 4.335 4.320 -0.001 0.000 0.205 1228 K C 2.464 179.066 176.600 0.003 0.000 1.050 1228 K CA 0.973 57.263 56.287 0.004 0.000 0.938 1228 K CB -0.053 32.450 32.500 0.004 0.000 0.718 1228 K HN 0.277 nan 8.250 nan 0.000 0.442 1229 R N -0.447 120.055 120.500 0.004 0.000 2.090 1229 R HA -0.048 4.292 4.340 -0.001 0.000 0.228 1229 R C 1.559 177.861 176.300 0.003 0.000 1.110 1229 R CA 1.624 57.726 56.100 0.003 0.000 0.973 1229 R CB -0.085 30.217 30.300 0.004 0.000 0.869 1229 R HN 0.260 nan 8.270 nan 0.000 0.440 1230 T N -0.620 113.936 114.554 0.003 0.000 3.287 1230 T HA 0.124 4.474 4.350 -0.001 0.000 0.253 1230 T C 1.175 175.875 174.700 0.001 0.000 0.975 1230 T CA -0.459 61.642 62.100 0.002 0.000 0.912 1230 T CB 0.117 68.987 68.868 0.003 0.000 1.071 1230 T HN 0.250 nan 8.240 nan 0.000 0.578 1231 K N 1.343 121.744 120.400 0.001 0.000 2.056 1231 K HA -0.288 4.031 4.320 -0.001 0.000 0.225 1231 K C 0.530 177.130 176.600 -0.000 0.000 1.053 1231 K CA 1.116 57.404 56.287 0.000 0.000 0.966 1231 K CB -0.737 31.763 32.500 0.000 0.000 0.735 1231 K HN 0.240 nan 8.250 nan 0.000 0.455 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