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 2uza_1_B DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 2 G C 0.000 174.917 174.900 0.028 0.000 0.946 2 G CA 0.000 45.114 45.100 0.023 0.000 0.502 3 K N -0.172 120.236 120.400 0.013 0.000 2.090 3 K HA 0.647 4.968 4.320 0.002 0.000 0.250 3 K C -0.464 176.123 176.600 -0.023 0.000 1.004 3 K CA -0.566 55.721 56.287 -0.001 0.000 0.919 3 K CB 1.632 34.127 32.500 -0.008 0.000 1.045 3 K HN 0.487 nan 8.250 nan 0.000 0.471 4 K N 1.799 122.168 120.400 -0.051 0.000 2.588 4 K HA 0.209 4.530 4.320 0.002 0.000 0.250 4 K C -1.162 175.382 176.600 -0.093 0.000 0.972 4 K CA -0.507 55.740 56.287 -0.067 0.000 0.821 4 K CB 1.054 33.514 32.500 -0.067 0.000 1.249 4 K HN 0.405 nan 8.250 nan 0.000 0.442 5 M N 6.022 125.576 119.600 -0.076 0.000 2.184 5 M HA 0.297 4.778 4.480 0.002 0.000 0.351 5 M C -0.225 176.029 176.300 -0.077 0.000 1.395 5 M CA 0.197 55.451 55.300 -0.078 0.000 1.117 5 M CB 0.262 32.822 32.600 -0.067 0.000 1.708 5 M HN 0.780 nan 8.290 nan 0.000 0.468 6 M N 1.607 121.158 119.600 -0.082 0.000 2.520 6 M HA 0.533 5.014 4.480 0.002 0.000 0.283 6 M C -0.792 175.483 176.300 -0.041 0.000 1.237 6 M CA -0.719 54.541 55.300 -0.067 0.000 0.885 6 M CB 2.503 35.045 32.600 -0.096 0.000 1.727 6 M HN 0.457 nan 8.290 nan 0.000 0.468 7 T N 1.997 116.542 114.554 -0.014 0.000 2.756 7 T HA 0.811 5.163 4.350 0.002 0.000 0.290 7 T C -0.589 174.122 174.700 0.018 0.000 0.985 7 T CA 0.439 62.547 62.100 0.013 0.000 0.955 7 T CB 0.308 69.199 68.868 0.038 0.000 0.930 7 T HN 1.035 nan 8.240 nan 0.000 0.451 8 T N 1.641 116.208 114.554 0.021 0.000 2.665 8 T HA 0.574 4.925 4.350 0.002 0.000 0.303 8 T C -1.358 173.366 174.700 0.039 0.000 1.334 8 T CA -0.984 61.133 62.100 0.028 0.000 1.011 8 T CB 1.090 69.969 68.868 0.019 0.000 1.573 8 T HN 0.609 nan 8.240 nan 0.000 0.492 9 D N -0.833 119.587 120.400 0.034 0.000 2.440 9 D HA 0.506 5.147 4.640 0.002 0.000 0.258 9 D C 1.646 177.952 176.300 0.011 0.000 1.092 9 D CA -0.229 53.797 54.000 0.042 0.000 1.016 9 D CB 0.419 41.234 40.800 0.025 0.000 1.141 9 D HN 0.788 nan 8.370 nan 0.000 0.552 10 G N 0.039 108.850 108.800 0.018 0.000 2.469 10 G HA2 -0.366 3.596 3.960 0.002 0.000 0.219 10 G HA3 -0.366 3.596 3.960 0.002 0.000 0.219 10 G C 1.265 176.063 174.900 -0.170 0.000 1.150 10 G CA 0.980 45.999 45.100 -0.135 0.000 0.763 10 G HN 0.667 nan 8.290 nan 0.000 0.561 11 N N -0.100 118.627 118.700 0.045 0.000 2.025 11 N HA -0.155 4.586 4.740 0.002 0.000 0.194 11 N C 2.619 178.147 175.510 0.031 0.000 1.044 11 N CA 2.122 55.230 53.050 0.097 0.000 0.851 11 N CB -0.271 38.212 38.487 -0.008 0.000 1.036 11 N HN 0.467 nan 8.380 nan 0.000 0.422 12 T N -1.042 113.523 114.554 0.018 0.000 2.746 12 T HA -0.032 4.319 4.350 0.002 0.000 0.267 12 T C 2.002 176.813 174.700 0.184 0.000 1.039 12 T CA 1.116 63.282 62.100 0.111 0.000 1.142 12 T CB -0.532 68.405 68.868 0.114 0.000 0.866 12 T HN 0.205 nan 8.240 nan 0.000 0.444 13 A N 1.582 124.456 122.820 0.089 0.000 1.917 13 A HA -0.097 4.224 4.320 0.002 0.000 0.219 13 A C 2.631 180.315 177.584 0.167 0.000 1.182 13 A CA 2.420 54.523 52.037 0.110 0.000 0.633 13 A CB -1.532 17.492 19.000 0.040 0.000 0.819 13 A HN 0.605 nan 8.150 nan 0.000 0.448 14 T N -0.053 114.543 114.554 0.070 0.000 2.732 14 T HA 0.102 4.453 4.350 0.002 0.000 0.261 14 T C 2.279 177.055 174.700 0.127 0.000 1.040 14 T CA 1.381 63.523 62.100 0.071 0.000 1.145 14 T CB -0.491 68.436 68.868 0.099 0.000 0.866 14 T HN 0.598 nan 8.240 nan 0.000 0.427 15 A N 1.588 124.518 122.820 0.184 0.000 1.978 15 A HA -0.228 4.093 4.320 0.002 0.000 0.220 15 A C 2.102 180.020 177.584 0.558 0.000 1.170 15 A CA 1.812 54.002 52.037 0.255 0.000 0.636 15 A CB -1.022 17.969 19.000 -0.015 0.000 0.810 15 A HN 0.705 nan 8.150 nan 0.000 0.448 16 H N -0.033 119.307 119.070 0.451 0.000 2.352 16 H HA -0.119 4.437 4.556 0.002 0.000 0.299 16 H C 1.892 177.374 175.328 0.257 0.000 1.097 16 H CA 2.243 58.522 56.048 0.385 0.000 1.311 16 H CB 0.014 29.941 29.762 0.275 0.000 1.377 16 H HN 0.276 nan 8.280 nan 0.000 0.504 17 V N 1.210 121.209 119.914 0.142 0.000 2.302 17 V HA -0.146 3.975 4.120 0.002 0.000 0.243 17 V C 3.155 179.130 176.094 -0.198 0.000 1.036 17 V CA 1.351 63.571 62.300 -0.133 0.000 1.020 17 V CB -1.283 30.453 31.823 -0.145 0.000 0.657 17 V HN 0.564 nan 8.190 nan 0.000 0.453 18 A N -0.652 122.165 122.820 -0.004 0.000 1.927 18 A HA -0.333 3.988 4.320 0.002 0.000 0.220 18 A C 2.182 179.816 177.584 0.082 0.000 1.185 18 A CA 2.505 54.599 52.037 0.096 0.000 0.639 18 A CB -0.938 18.329 19.000 0.444 0.000 0.820 18 A HN 0.656 nan 8.150 nan 0.000 0.451 19 Y N 0.289 120.679 120.300 0.150 0.000 2.145 19 Y HA -0.113 4.438 4.550 0.002 0.000 0.286 19 Y C 2.719 178.577 175.900 -0.071 0.000 1.145 19 Y CA 1.600 59.813 58.100 0.189 0.000 1.148 19 Y CB -0.417 38.313 38.460 0.450 0.000 0.981 19 Y HN 0.328 nan 8.280 nan 0.000 0.507 20 A N -0.114 122.554 122.820 -0.254 0.000 1.933 20 A HA -0.178 4.143 4.320 0.002 0.000 0.218 20 A C 1.945 179.224 177.584 -0.508 0.000 1.175 20 A CA 1.928 53.526 52.037 -0.731 0.000 0.628 20 A CB -0.513 17.431 19.000 -1.761 0.000 0.814 20 A HN 0.489 nan 8.150 nan 0.000 0.444 21 M N 0.106 119.408 119.600 -0.497 0.000 2.495 21 M HA 0.191 4.672 4.480 0.002 0.000 0.237 21 M C -0.077 176.099 176.300 -0.207 0.000 1.131 21 M CA 0.362 55.392 55.300 -0.450 0.000 1.032 21 M CB -0.717 31.433 32.600 -0.751 0.000 1.513 21 M HN 0.186 nan 8.290 nan 0.000 0.488 22 S N -0.124 115.497 115.700 -0.132 0.000 2.600 22 S HA 0.424 4.895 4.470 0.002 0.000 0.300 22 S C 0.673 175.297 174.600 0.040 0.000 1.087 22 S CA -0.732 57.480 58.200 0.019 0.000 0.965 22 S CB 2.475 65.700 63.200 0.043 0.000 1.089 22 S HN 0.235 nan 8.310 nan 0.000 0.496 23 E N -0.034 120.213 120.200 0.079 0.000 2.364 23 E HA 0.226 4.577 4.350 0.002 0.000 0.203 23 E C -0.435 176.176 176.600 0.020 0.000 0.888 23 E CA 0.288 56.718 56.400 0.051 0.000 0.989 23 E CB 0.587 30.300 29.700 0.022 0.000 0.985 23 E HN 0.259 nan 8.360 nan 0.000 0.499 24 V N 0.759 120.696 119.914 0.039 0.000 2.876 24 V HA 0.742 4.863 4.120 0.002 0.000 0.312 24 V C -1.067 175.054 176.094 0.045 0.000 1.085 24 V CA -0.923 61.401 62.300 0.041 0.000 0.945 24 V CB 1.851 33.704 31.823 0.050 0.000 1.017 24 V HN 0.166 nan 8.190 nan 0.000 0.428 25 A N 2.673 125.521 122.820 0.046 0.000 2.459 25 A HA 0.941 5.262 4.320 0.002 0.000 0.296 25 A C -0.681 176.916 177.584 0.022 0.000 1.039 25 A CA -0.170 51.892 52.037 0.041 0.000 0.698 25 A CB 1.761 20.834 19.000 0.122 0.000 1.261 25 A HN 1.540 nan 8.150 nan 0.000 0.405 26 A N 2.627 125.437 122.820 -0.017 0.000 2.318 26 A HA 0.803 5.124 4.320 0.002 0.000 0.317 26 A C -0.174 177.378 177.584 -0.055 0.000 1.159 26 A CA -0.432 51.585 52.037 -0.032 0.000 0.799 26 A CB 0.163 19.146 19.000 -0.028 0.000 1.194 26 A HN 1.722 nan 8.150 nan 0.000 0.479 27 I N -1.213 119.310 120.570 -0.078 0.000 3.108 27 I HA 0.904 5.075 4.170 0.002 0.000 0.312 27 I C -1.319 174.748 176.117 -0.083 0.000 1.095 27 I CA -1.176 60.073 61.300 -0.085 0.000 1.000 27 I CB 2.294 40.207 38.000 -0.146 0.000 1.229 27 I HN 0.591 nan 8.210 nan 0.000 0.454 28 Y N 2.539 122.716 120.300 -0.205 0.000 2.480 28 Y HA 0.537 5.088 4.550 0.002 0.000 0.329 28 Y C -2.897 172.922 175.900 -0.136 0.000 1.127 28 Y CA -1.744 56.238 58.100 -0.198 0.000 1.037 28 Y CB 2.386 40.780 38.460 -0.110 0.000 1.320 28 Y HN 0.468 nan 8.280 nan 0.000 0.446 29 P HA 0.475 nan 4.420 nan 0.000 0.280 29 P C -1.069 176.090 177.300 -0.235 0.000 1.244 29 P CA 0.050 62.939 63.100 -0.352 0.000 0.784 29 P CB 1.980 33.448 31.700 -0.387 0.000 0.913 30 I N 1.135 121.648 120.570 -0.096 0.000 2.715 30 I HA 0.133 4.304 4.170 0.002 0.000 0.288 30 I C -0.716 175.359 176.117 -0.070 0.000 1.371 30 I CA -0.280 60.985 61.300 -0.058 0.000 1.056 30 I CB 2.004 40.017 38.000 0.021 0.000 1.339 30 I HN 0.170 nan 8.210 nan 0.000 0.425 31 T N 8.790 123.291 114.554 -0.089 0.000 2.930 31 T HA 0.230 4.581 4.350 0.002 0.000 0.306 31 T C -2.094 172.523 174.700 -0.138 0.000 1.045 31 T CA -0.512 61.521 62.100 -0.113 0.000 1.134 31 T CB 0.657 69.472 68.868 -0.088 0.000 0.961 31 T HN 0.490 nan 8.240 nan 0.000 0.545 32 P HA 0.167 nan 4.420 nan 0.000 0.259 32 P C 0.769 177.991 177.300 -0.130 0.000 1.530 32 P CA -0.127 62.758 63.100 -0.359 0.000 1.022 32 P CB 0.092 31.167 31.700 -1.042 0.000 1.514 33 S N -2.047 113.597 115.700 -0.093 0.000 2.524 33 S HA 0.026 4.497 4.470 0.002 0.000 0.216 33 S C 1.757 176.335 174.600 -0.037 0.000 0.987 33 S CA 0.294 58.474 58.200 -0.033 0.000 0.909 33 S CB -0.800 62.404 63.200 0.007 0.000 0.781 33 S HN -0.032 nan 8.310 nan 0.000 0.521 34 S N 2.390 118.055 115.700 -0.057 0.000 2.380 34 S HA -0.162 4.309 4.470 0.002 0.000 0.229 34 S C 1.938 176.464 174.600 -0.123 0.000 1.043 34 S CA 2.094 60.255 58.200 -0.064 0.000 1.038 34 S CB -1.191 61.960 63.200 -0.082 0.000 0.872 34 S HN 0.755 nan 8.310 nan 0.000 0.456 35 T N 2.741 117.199 114.554 -0.160 0.000 2.685 35 T HA -0.157 4.194 4.350 0.002 0.000 0.268 35 T C 1.784 176.296 174.700 -0.314 0.000 1.034 35 T CA 1.614 63.577 62.100 -0.229 0.000 1.149 35 T CB -0.428 68.294 68.868 -0.242 0.000 0.860 35 T HN 0.390 nan 8.240 nan 0.000 0.449 36 M N 0.697 120.093 119.600 -0.341 0.000 2.080 36 M HA -0.045 4.436 4.480 0.002 0.000 0.260 36 M C 2.854 178.624 176.300 -0.883 0.000 1.068 36 M CA 1.937 56.852 55.300 -0.643 0.000 1.109 36 M CB -0.973 31.193 32.600 -0.723 0.000 1.342 36 M HN 0.411 nan 8.290 nan 0.000 0.405 37 G N 0.175 108.610 108.800 -0.609 0.000 2.404 37 G HA2 -0.189 3.772 3.960 0.002 0.000 0.215 37 G HA3 -0.189 3.772 3.960 0.002 0.000 0.215 37 G C 1.316 176.221 174.900 0.008 0.000 1.174 37 G CA 0.742 45.711 45.100 -0.220 0.000 0.780 37 G HN 0.511 nan 8.290 nan 0.000 0.537 38 E N 0.415 120.577 120.200 -0.063 0.000 2.085 38 E HA -0.142 4.210 4.350 0.002 0.000 0.194 38 E C 2.399 178.784 176.600 -0.359 0.000 0.994 38 E CA 1.138 57.381 56.400 -0.263 0.000 0.801 38 E CB -0.123 29.340 29.700 -0.395 0.000 0.743 38 E HN 0.565 nan 8.360 nan 0.000 0.453 39 E N 0.500 120.378 120.200 -0.537 0.000 2.051 39 E HA -0.190 4.161 4.350 0.002 0.000 0.192 39 E C 2.138 178.066 176.600 -1.121 0.000 0.991 39 E CA 0.921 56.727 56.400 -0.991 0.000 0.799 39 E CB -0.140 28.845 29.700 -1.191 0.000 0.748 39 E HN 0.236 nan 8.360 nan 0.000 0.449 40 A N 1.250 123.698 122.820 -0.620 0.000 1.940 40 A HA -0.270 4.051 4.320 0.002 0.000 0.219 40 A C 1.835 179.518 177.584 0.164 0.000 1.176 40 A CA 2.053 54.076 52.037 -0.023 0.000 0.631 40 A CB -0.518 18.604 19.000 0.203 0.000 0.814 40 A HN 0.256 nan 8.150 nan 0.000 0.446 41 D N -0.505 119.934 120.400 0.065 0.000 2.103 41 D HA -0.130 4.511 4.640 0.002 0.000 0.199 41 D C 1.324 177.679 176.300 0.092 0.000 0.978 41 D CA 1.377 55.475 54.000 0.163 0.000 0.829 41 D CB -0.087 40.878 40.800 0.274 0.000 0.981 41 D HN 0.332 nan 8.370 nan 0.000 0.464 42 D N -0.371 119.991 120.400 -0.063 0.000 2.117 42 D HA -0.150 4.491 4.640 0.002 0.000 0.197 42 D C 1.849 178.224 176.300 0.124 0.000 0.987 42 D CA 0.666 54.648 54.000 -0.028 0.000 0.829 42 D CB -0.356 40.362 40.800 -0.137 0.000 0.961 42 D HN 0.456 nan 8.370 nan 0.000 0.460 43 W N 1.457 122.736 121.300 -0.034 0.000 2.358 43 W HA 0.062 4.723 4.660 0.002 0.000 0.303 43 W C 2.557 179.053 176.519 -0.038 0.000 1.208 43 W CA 0.523 57.770 57.345 -0.163 0.000 1.274 43 W CB -1.300 27.856 29.460 -0.506 0.000 1.138 43 W HN -0.041 nan 8.180 nan 0.000 0.515 44 A N 0.602 123.666 122.820 0.407 0.000 1.877 44 A HA -0.001 4.320 4.320 0.002 0.000 0.216 44 A C 2.239 179.981 177.584 0.264 0.000 1.186 44 A CA 2.701 55.000 52.037 0.436 0.000 0.620 44 A CB -1.163 18.094 19.000 0.428 0.000 0.822 44 A HN 0.119 nan 8.150 nan 0.000 0.443 45 A N -0.845 122.102 122.820 0.211 0.000 2.070 45 A HA -0.155 4.166 4.320 0.002 0.000 0.220 45 A C 1.976 179.661 177.584 0.169 0.000 1.159 45 A CA 1.512 53.650 52.037 0.169 0.000 0.656 45 A CB -0.438 18.644 19.000 0.137 0.000 0.800 45 A HN 0.679 nan 8.150 nan 0.000 0.453 46 Q N -1.790 118.109 119.800 0.165 0.000 2.425 46 Q HA 0.261 4.602 4.340 0.002 0.000 0.204 46 Q C 1.087 177.148 176.000 0.101 0.000 0.933 46 Q CA 0.390 56.269 55.803 0.126 0.000 0.939 46 Q CB 0.180 28.987 28.738 0.115 0.000 1.044 46 Q HN 0.852 nan 8.270 nan 0.000 0.513 47 G N 1.924 110.804 108.800 0.134 0.000 2.141 47 G HA2 -0.306 3.655 3.960 0.002 0.000 0.231 47 G HA3 -0.306 3.655 3.960 0.002 0.000 0.231 47 G C 0.023 174.990 174.900 0.111 0.000 0.984 47 G CA -0.022 45.152 45.100 0.123 0.000 0.660 47 G HN 0.289 nan 8.290 nan 0.000 0.525 48 R N 0.456 121.008 120.500 0.087 0.000 2.570 48 R HA 0.356 4.697 4.340 0.002 0.000 0.277 48 R C -0.021 176.436 176.300 0.262 0.000 1.039 48 R CA 0.089 56.194 56.100 0.009 0.000 1.065 48 R CB 0.327 30.435 30.300 -0.319 0.000 0.964 48 R HN 0.007 nan 8.270 nan 0.000 0.428 49 K N 3.129 123.662 120.400 0.223 0.000 2.138 49 K HA 0.171 4.492 4.320 0.002 0.000 0.263 49 K C -0.105 176.750 176.600 0.426 0.000 0.965 49 K CA -0.848 55.618 56.287 0.300 0.000 0.868 49 K CB 1.248 33.850 32.500 0.171 0.000 1.083 49 K HN 0.708 nan 8.250 nan 0.000 0.443 50 N N 0.922 119.817 118.700 0.325 0.000 2.431 50 N HA 0.100 4.841 4.740 0.002 0.000 0.289 50 N C 1.222 176.751 175.510 0.032 0.000 1.277 50 N CA -0.488 52.662 53.050 0.167 0.000 0.972 50 N CB -0.109 38.390 38.487 0.021 0.000 1.143 50 N HN 0.629 nan 8.380 nan 0.000 0.578 51 I N -4.526 115.887 120.570 -0.261 0.000 2.850 51 I HA 0.035 4.206 4.170 0.002 0.000 0.266 51 I C 0.262 176.131 176.117 -0.413 0.000 1.257 51 I CA 1.138 62.203 61.300 -0.393 0.000 1.465 51 I CB -0.625 37.002 38.000 -0.622 0.000 1.091 51 I HN 0.206 nan 8.210 nan 0.000 0.467 52 F N 1.899 121.861 119.950 0.020 0.000 2.641 52 F HA 0.480 5.008 4.527 0.002 0.000 0.302 52 F C 1.863 177.690 175.800 0.044 0.000 1.098 52 F CA 0.215 58.232 58.000 0.028 0.000 1.318 52 F CB 0.329 39.341 39.000 0.021 0.000 1.035 52 F HN 0.224 nan 8.300 nan 0.000 0.551 53 G N 0.205 109.109 108.800 0.173 0.000 2.168 53 G HA2 -0.243 3.718 3.960 0.002 0.000 0.257 53 G HA3 -0.243 3.718 3.960 0.002 0.000 0.257 53 G C 0.076 175.072 174.900 0.160 0.000 0.997 53 G CA -0.096 45.091 45.100 0.146 0.000 0.708 53 G HN 0.268 nan 8.290 nan 0.000 0.520 54 Q N 0.474 120.393 119.800 0.198 0.000 2.306 54 Q HA 0.587 4.928 4.340 0.002 0.000 0.265 54 Q C 0.618 176.729 176.000 0.185 0.000 1.022 54 Q CA 0.153 56.059 55.803 0.170 0.000 0.853 54 Q CB 1.603 30.433 28.738 0.154 0.000 1.327 54 Q HN 0.589 nan 8.270 nan 0.000 0.449 55 T N -1.115 113.546 114.554 0.178 0.000 2.907 55 T HA 0.361 4.712 4.350 0.002 0.000 0.298 55 T C 0.271 175.059 174.700 0.146 0.000 1.017 55 T CA -0.778 61.467 62.100 0.241 0.000 1.118 55 T CB 0.482 69.487 68.868 0.229 0.000 0.948 55 T HN 0.415 nan 8.240 nan 0.000 0.531 56 L N 3.265 124.536 121.223 0.081 0.000 2.453 56 L HA 0.305 4.646 4.340 0.002 0.000 0.272 56 L C 0.473 177.379 176.870 0.060 0.000 1.182 56 L CA 0.650 55.449 54.840 -0.069 0.000 0.858 56 L CB 0.518 42.357 42.059 -0.367 0.000 1.120 56 L HN 0.873 nan 8.230 nan 0.000 0.474 57 T N 7.280 121.858 114.554 0.041 0.000 2.747 57 T HA 0.501 4.852 4.350 0.002 0.000 0.301 57 T C -0.076 174.661 174.700 0.061 0.000 0.952 57 T CA 0.026 62.161 62.100 0.058 0.000 0.983 57 T CB -0.460 68.433 68.868 0.041 0.000 0.930 57 T HN 0.394 nan 8.240 nan 0.000 0.494 58 I N 3.904 124.523 120.570 0.082 0.000 2.465 58 I HA 0.602 4.773 4.170 0.002 0.000 0.291 58 I C 0.008 176.152 176.117 0.045 0.000 1.014 58 I CA -1.137 60.210 61.300 0.078 0.000 1.093 58 I CB 1.504 39.581 38.000 0.129 0.000 1.267 58 I HN 0.188 nan 8.210 nan 0.000 0.431 59 R N 3.882 124.384 120.500 0.003 0.000 2.673 59 R HA 0.396 4.737 4.340 0.002 0.000 0.281 59 R C -0.965 175.279 176.300 -0.093 0.000 0.991 59 R CA -0.840 55.248 56.100 -0.021 0.000 0.896 59 R CB 2.500 32.801 30.300 0.002 0.000 1.201 59 R HN 0.669 nan 8.270 nan 0.000 0.457 60 E N 3.553 123.676 120.200 -0.128 0.000 2.200 60 E HA 0.229 4.580 4.350 0.002 0.000 0.283 60 E C -0.216 176.371 176.600 -0.021 0.000 1.015 60 E CA -0.499 55.785 56.400 -0.194 0.000 0.819 60 E CB 0.771 30.292 29.700 -0.298 0.000 1.081 60 E HN 0.214 nan 8.360 nan 0.000 0.397 61 M N 2.533 122.156 119.600 0.038 0.000 2.310 61 M HA 0.029 4.510 4.480 0.002 0.000 0.241 61 M C 1.179 177.587 176.300 0.180 0.000 1.162 61 M CA -0.127 55.216 55.300 0.073 0.000 0.958 61 M CB 0.363 32.971 32.600 0.014 0.000 1.348 61 M HN 0.620 nan 8.290 nan 0.000 0.541 62 Q N 0.667 120.514 119.800 0.078 0.000 2.398 62 Q HA 0.062 4.403 4.340 0.002 0.000 0.204 62 Q C -0.070 175.803 176.000 -0.212 0.000 0.932 62 Q CA 0.724 56.587 55.803 0.100 0.000 0.916 62 Q CB 0.269 29.036 28.738 0.048 0.000 1.024 62 Q HN 0.744 nan 8.270 nan 0.000 0.504 63 S N -1.515 113.834 115.700 -0.586 0.000 2.655 63 S HA 0.302 4.773 4.470 0.002 0.000 0.266 63 S C -0.234 173.945 174.600 -0.702 0.000 1.149 63 S CA -0.393 57.092 58.200 -1.190 0.000 0.818 63 S CB 0.699 63.571 63.200 -0.546 0.000 1.130 63 S HN -0.054 nan 8.310 nan 0.000 0.476 64 E N 0.805 120.696 120.200 -0.516 0.000 2.150 64 E HA 0.133 4.484 4.350 0.002 0.000 0.193 64 E C 2.126 178.640 176.600 -0.142 0.000 0.985 64 E CA 1.556 57.838 56.400 -0.197 0.000 0.814 64 E CB -0.480 29.163 29.700 -0.095 0.000 0.752 64 E HN 0.698 nan 8.360 nan 0.000 0.466 65 A N 0.517 123.252 122.820 -0.142 0.000 1.898 65 A HA -0.043 4.278 4.320 0.002 0.000 0.216 65 A C 2.413 179.961 177.584 -0.060 0.000 1.181 65 A CA 1.622 53.614 52.037 -0.074 0.000 0.620 65 A CB -1.108 17.852 19.000 -0.068 0.000 0.819 65 A HN 0.359 nan 8.150 nan 0.000 0.442 66 G N -0.522 108.220 108.800 -0.097 0.000 2.402 66 G HA2 0.038 3.999 3.960 0.002 0.000 0.216 66 G HA3 0.038 3.999 3.960 0.002 0.000 0.216 66 G C 1.732 176.607 174.900 -0.042 0.000 1.162 66 G CA 1.365 46.429 45.100 -0.060 0.000 0.777 66 G HN 0.759 nan 8.290 nan 0.000 0.539 67 A N 1.229 124.008 122.820 -0.069 0.000 1.902 67 A HA 0.259 4.580 4.320 0.002 0.000 0.217 67 A C 2.803 180.360 177.584 -0.046 0.000 1.181 67 A CA 2.281 54.284 52.037 -0.057 0.000 0.623 67 A CB -0.785 18.171 19.000 -0.074 0.000 0.818 67 A HN 0.772 nan 8.150 nan 0.000 0.443 68 A N -0.634 122.162 122.820 -0.041 0.000 1.969 68 A HA 0.170 4.491 4.320 0.002 0.000 0.218 68 A C 2.350 180.008 177.584 0.124 0.000 1.169 68 A CA 1.790 53.849 52.037 0.037 0.000 0.635 68 A CB -1.211 17.826 19.000 0.061 0.000 0.810 68 A HN 0.699 nan 8.150 nan 0.000 0.445 69 G N -0.572 108.281 108.800 0.089 0.000 2.408 69 G HA2 0.069 4.030 3.960 0.002 0.000 0.217 69 G HA3 0.069 4.030 3.960 0.002 0.000 0.217 69 G C 1.704 176.666 174.900 0.103 0.000 1.150 69 G CA 1.246 46.419 45.100 0.121 0.000 0.776 69 G HN 0.726 nan 8.290 nan 0.000 0.542 70 A N 0.259 123.114 122.820 0.059 0.000 1.873 70 A HA 0.086 4.407 4.320 0.002 0.000 0.215 70 A C 2.592 180.222 177.584 0.077 0.000 1.186 70 A CA 1.725 53.788 52.037 0.043 0.000 0.616 70 A CB -0.699 18.312 19.000 0.018 0.000 0.823 70 A HN 0.228 nan 8.150 nan 0.000 0.442 71 V N -0.221 119.752 119.914 0.098 0.000 2.332 71 V HA -0.335 3.786 4.120 0.002 0.000 0.248 71 V C 2.448 178.682 176.094 0.232 0.000 1.055 71 V CA 2.402 64.789 62.300 0.145 0.000 1.038 71 V CB -1.030 30.885 31.823 0.153 0.000 0.651 71 V HN 0.843 nan 8.190 nan 0.000 0.450 72 H N -0.088 119.061 119.070 0.132 0.000 2.319 72 H HA -0.158 4.399 4.556 0.002 0.000 0.299 72 H C 2.287 177.672 175.328 0.096 0.000 1.092 72 H CA 1.433 57.559 56.048 0.128 0.000 1.302 72 H CB -0.218 29.616 29.762 0.120 0.000 1.373 72 H HN 0.455 nan 8.280 nan 0.000 0.497 73 G N 0.112 108.929 108.800 0.030 0.000 2.418 73 G HA2 -0.284 3.677 3.960 0.002 0.000 0.217 73 G HA3 -0.284 3.677 3.960 0.002 0.000 0.217 73 G C 1.877 176.783 174.900 0.010 0.000 1.158 73 G CA 0.868 45.927 45.100 -0.068 0.000 0.771 73 G HN 0.576 nan 8.290 nan 0.000 0.545 74 A N 0.631 123.487 122.820 0.061 0.000 1.877 74 A HA 0.054 4.375 4.320 0.002 0.000 0.216 74 A C 2.469 180.130 177.584 0.129 0.000 1.186 74 A CA 1.427 53.508 52.037 0.075 0.000 0.620 74 A CB -0.501 18.549 19.000 0.083 0.000 0.822 74 A HN 0.351 nan 8.150 nan 0.000 0.443 75 L N -0.728 120.611 121.223 0.195 0.000 2.012 75 L HA -0.227 4.115 4.340 0.002 0.000 0.210 75 L C 3.123 180.149 176.870 0.260 0.000 1.073 75 L CA 1.183 56.205 54.840 0.304 0.000 0.748 75 L CB -0.601 41.626 42.059 0.281 0.000 0.891 75 L HN 0.442 nan 8.230 nan 0.000 0.431 76 A N -0.010 122.914 122.820 0.173 0.000 1.940 76 A HA -0.159 4.162 4.320 0.002 0.000 0.219 76 A C 2.126 179.715 177.584 0.008 0.000 1.176 76 A CA 1.785 53.880 52.037 0.096 0.000 0.631 76 A CB -0.646 18.352 19.000 -0.004 0.000 0.814 76 A HN 0.412 nan 8.150 nan 0.000 0.446 77 A N -1.629 121.181 122.820 -0.016 0.000 2.411 77 A HA 0.454 4.775 4.320 0.002 0.000 0.251 77 A C 1.552 179.061 177.584 -0.125 0.000 1.317 77 A CA 0.927 52.923 52.037 -0.069 0.000 0.904 77 A CB -1.263 17.704 19.000 -0.056 0.000 0.993 77 A HN 1.914 nan 8.150 nan 0.000 0.504 78 G N -1.989 106.667 108.800 -0.240 0.000 2.143 78 G HA2 0.073 4.034 3.960 0.002 0.000 0.249 78 G HA3 0.073 4.034 3.960 0.002 0.000 0.249 78 G C 0.349 175.161 174.900 -0.147 0.000 0.981 78 G CA 0.302 45.078 45.100 -0.540 0.000 0.665 78 G HN 1.698 nan 8.290 nan 0.000 0.528 79 A N 0.049 122.965 122.820 0.160 0.000 2.312 79 A HA 0.795 5.116 4.320 0.002 0.000 0.326 79 A C 0.445 178.241 177.584 0.353 0.000 1.172 79 A CA -0.596 51.572 52.037 0.219 0.000 0.821 79 A CB 0.802 19.858 19.000 0.094 0.000 1.166 79 A HN 0.734 nan 8.150 nan 0.000 0.493 80 L N 2.399 123.764 121.223 0.237 0.000 2.418 80 L HA 0.282 4.623 4.340 0.002 0.000 0.274 80 L C 0.093 177.030 176.870 0.111 0.000 1.135 80 L CA 0.315 55.219 54.840 0.108 0.000 0.870 80 L CB 0.576 42.706 42.059 0.118 0.000 1.154 80 L HN 0.767 nan 8.230 nan 0.000 0.462 81 T N 1.229 115.841 114.554 0.097 0.000 2.907 81 T HA 0.541 4.892 4.350 0.002 0.000 0.292 81 T C -0.311 174.449 174.700 0.101 0.000 1.043 81 T CA -0.515 61.645 62.100 0.100 0.000 1.003 81 T CB 2.375 71.312 68.868 0.115 0.000 1.084 81 T HN 0.559 nan 8.240 nan 0.000 0.483 82 T N 0.376 114.961 114.554 0.052 0.000 2.864 82 T HA 0.777 5.128 4.350 0.002 0.000 0.299 82 T C -1.408 173.133 174.700 -0.266 0.000 1.166 82 T CA -0.364 61.716 62.100 -0.033 0.000 1.007 82 T CB 2.134 71.040 68.868 0.063 0.000 1.219 82 T HN 0.755 nan 8.240 nan 0.000 0.506 83 T N 1.195 115.432 114.554 -0.528 0.000 2.840 83 T HA 0.707 5.058 4.350 0.002 0.000 0.317 83 T C -2.074 172.133 174.700 -0.822 0.000 1.401 83 T CA -0.506 61.197 62.100 -0.662 0.000 1.028 83 T CB 0.720 69.248 68.868 -0.566 0.000 1.317 83 T HN 0.399 nan 8.240 nan 0.000 0.495 84 F N 1.699 121.628 119.950 -0.036 0.000 2.493 84 F HA 0.739 5.267 4.527 0.002 0.000 0.329 84 F C 0.700 176.467 175.800 -0.056 0.000 1.126 84 F CA -0.578 57.434 58.000 0.020 0.000 0.937 84 F CB 2.375 41.417 39.000 0.069 0.000 1.146 84 F HN 0.593 nan 8.300 nan 0.000 0.442 85 T N 1.202 115.797 114.554 0.068 0.000 2.648 85 T HA 0.910 5.261 4.350 0.002 0.000 0.304 85 T C -1.809 172.876 174.700 -0.025 0.000 1.312 85 T CA -0.264 61.838 62.100 0.003 0.000 1.023 85 T CB 1.572 70.394 68.868 -0.076 0.000 1.612 85 T HN 1.109 nan 8.240 nan 0.000 0.487 86 A N 0.174 122.974 122.820 -0.034 0.000 2.549 86 A HA 0.736 5.057 4.320 0.002 0.000 0.291 86 A C 0.504 178.066 177.584 -0.037 0.000 1.034 86 A CA 0.677 52.680 52.037 -0.056 0.000 0.655 86 A CB 0.333 19.288 19.000 -0.075 0.000 1.299 86 A HN 2.037 nan 8.150 nan 0.000 0.427 87 S N -0.643 115.030 115.700 -0.045 0.000 4.108 87 S HA -0.351 4.120 4.470 0.002 0.000 0.550 87 S C 1.700 176.293 174.600 -0.012 0.000 1.916 87 S CA 2.382 60.566 58.200 -0.027 0.000 4.207 87 S CB -1.121 62.068 63.200 -0.017 0.000 0.522 87 S HN 1.343 nan 8.310 nan 0.000 0.534 88 Q N 0.927 120.733 119.800 0.010 0.000 2.197 88 Q HA -0.087 4.254 4.340 0.002 0.000 0.207 88 Q C 2.337 178.359 176.000 0.037 0.000 0.984 88 Q CA 2.036 57.858 55.803 0.031 0.000 0.869 88 Q CB -1.285 27.491 28.738 0.064 0.000 0.906 88 Q HN 0.823 nan 8.270 nan 0.000 0.426 89 G N 1.098 109.923 108.800 0.042 0.000 2.394 89 G HA2 -0.184 3.777 3.960 0.002 0.000 0.215 89 G HA3 -0.184 3.777 3.960 0.002 0.000 0.215 89 G C 1.488 176.380 174.900 -0.013 0.000 1.165 89 G CA 0.582 45.703 45.100 0.036 0.000 0.784 89 G HN 0.304 nan 8.290 nan 0.000 0.535 90 L N 0.765 121.973 121.223 -0.026 0.000 2.046 90 L HA 0.067 4.408 4.340 0.002 0.000 0.208 90 L C 2.707 179.554 176.870 -0.038 0.000 1.077 90 L CA 1.329 56.144 54.840 -0.043 0.000 0.747 90 L CB -0.507 41.515 42.059 -0.062 0.000 0.896 90 L HN 0.206 nan 8.230 nan 0.000 0.432 91 L N -1.162 120.045 121.223 -0.027 0.000 2.079 91 L HA -0.258 4.083 4.340 0.002 0.000 0.210 91 L C 2.393 179.257 176.870 -0.009 0.000 1.081 91 L CA 1.283 56.113 54.840 -0.018 0.000 0.752 91 L CB -0.650 41.405 42.059 -0.007 0.000 0.896 91 L HN 0.310 nan 8.230 nan 0.000 0.433 92 L N -1.037 120.178 121.223 -0.012 0.000 2.465 92 L HA -0.114 4.227 4.340 0.002 0.000 0.224 92 L C 2.294 179.157 176.870 -0.012 0.000 1.145 92 L CA 0.650 55.480 54.840 -0.017 0.000 0.834 92 L CB -0.283 41.753 42.059 -0.039 0.000 0.944 92 L HN 0.376 nan 8.230 nan 0.000 0.451 93 M N -1.065 118.529 119.600 -0.009 0.000 2.509 93 M HA 0.005 4.486 4.480 0.002 0.000 0.250 93 M C 2.090 178.410 176.300 0.033 0.000 1.132 93 M CA 0.750 56.065 55.300 0.024 0.000 1.080 93 M CB 0.119 32.743 32.600 0.039 0.000 1.408 93 M HN 0.195 nan 8.290 nan 0.000 0.484 94 I N 1.187 121.758 120.570 0.001 0.000 2.151 94 I HA -0.257 3.915 4.170 0.002 0.000 0.243 94 I C -0.590 175.601 176.117 0.124 0.000 1.080 94 I CA 1.879 63.177 61.300 -0.003 0.000 1.339 94 I CB -1.741 36.273 38.000 0.023 0.000 1.039 94 I HN 0.147 nan 8.210 nan 0.000 0.409 95 P HA -0.157 nan 4.420 nan 0.000 0.215 95 P C 1.246 178.652 177.300 0.176 0.000 1.157 95 P CA 1.489 64.693 63.100 0.174 0.000 0.874 95 P CB -0.111 31.640 31.700 0.085 0.000 0.790 96 N N -1.448 117.325 118.700 0.121 0.000 2.331 96 N HA -0.028 4.713 4.740 0.002 0.000 0.180 96 N C 1.635 177.194 175.510 0.082 0.000 1.019 96 N CA 0.976 54.087 53.050 0.102 0.000 0.881 96 N CB -0.319 38.252 38.487 0.139 0.000 0.972 96 N HN 0.210 nan 8.380 nan 0.000 0.435 97 M N -0.531 119.096 119.600 0.045 0.000 2.117 97 M HA -0.188 4.293 4.480 0.002 0.000 0.262 97 M C 1.594 177.953 176.300 0.098 0.000 1.065 97 M CA 1.501 56.778 55.300 -0.038 0.000 1.114 97 M CB -0.436 31.834 32.600 -0.550 0.000 1.361 97 M HN 0.131 nan 8.290 nan 0.000 0.408 98 Y N 0.313 120.639 120.300 0.042 0.000 2.224 98 Y HA -0.198 4.353 4.550 0.002 0.000 0.289 98 Y C 2.538 178.448 175.900 0.016 0.000 1.146 98 Y CA 1.109 59.235 58.100 0.044 0.000 1.182 98 Y CB -0.231 38.244 38.460 0.024 0.000 0.983 98 Y HN 0.058 nan 8.280 nan 0.000 0.524 99 K N 0.184 120.655 120.400 0.119 0.000 2.062 99 K HA -0.085 4.236 4.320 0.002 0.000 0.205 99 K C 1.995 178.477 176.600 -0.196 0.000 1.051 99 K CA 1.132 57.389 56.287 -0.051 0.000 0.941 99 K CB -0.467 31.939 32.500 -0.157 0.000 0.719 99 K HN 0.385 nan 8.250 nan 0.000 0.440 100 I N 1.294 121.743 120.570 -0.202 0.000 2.252 100 I HA -0.272 3.899 4.170 0.002 0.000 0.245 100 I C 2.488 178.516 176.117 -0.149 0.000 1.102 100 I CA 1.404 62.601 61.300 -0.171 0.000 1.385 100 I CB -0.282 37.704 38.000 -0.023 0.000 1.064 100 I HN 0.145 nan 8.210 nan 0.000 0.414 101 S N 0.629 116.273 115.700 -0.093 0.000 2.387 101 S HA -0.044 4.427 4.470 0.002 0.000 0.226 101 S C 2.198 176.793 174.600 -0.008 0.000 1.026 101 S CA 0.816 58.941 58.200 -0.124 0.000 0.972 101 S CB -1.086 62.110 63.200 -0.005 0.000 0.814 101 S HN 0.440 nan 8.310 nan 0.000 0.477 102 G N 1.639 110.464 108.800 0.041 0.000 2.450 102 G HA2 -0.131 3.830 3.960 0.002 0.000 0.220 102 G HA3 -0.131 3.830 3.960 0.002 0.000 0.220 102 G C 1.223 176.134 174.900 0.018 0.000 1.130 102 G CA 0.724 45.858 45.100 0.057 0.000 0.760 102 G HN 0.706 nan 8.290 nan 0.000 0.557 103 E N 0.055 120.257 120.200 0.004 0.000 2.444 103 E HA 0.324 4.675 4.350 0.002 0.000 0.191 103 E C 0.189 176.761 176.600 -0.048 0.000 1.041 103 E CA -0.477 55.931 56.400 0.014 0.000 0.883 103 E CB 0.104 29.867 29.700 0.106 0.000 1.024 103 E HN 0.279 nan 8.360 nan 0.000 0.470 104 L N 1.623 122.780 121.223 -0.110 0.000 3.823 104 L HA -0.236 4.106 4.340 0.002 0.000 0.525 104 L C -0.630 176.159 176.870 -0.134 0.000 1.247 104 L CA 0.292 55.013 54.840 -0.197 0.000 0.776 104 L CB -1.334 40.511 42.059 -0.358 0.000 1.443 104 L HN 0.318 nan 8.230 nan 0.000 0.831 105 L N 2.666 123.818 121.223 -0.119 0.000 2.325 105 L HA 0.451 4.792 4.340 0.002 0.000 0.278 105 L C -1.391 175.372 176.870 -0.180 0.000 1.023 105 L CA -1.694 53.115 54.840 -0.050 0.000 0.811 105 L CB 1.434 43.525 42.059 0.052 0.000 1.249 105 L HN -0.034 nan 8.230 nan 0.000 0.431 106 P HA 0.058 nan 4.420 nan 0.000 0.228 106 P C 0.202 177.349 177.300 -0.256 0.000 1.748 106 P CA -0.008 62.903 63.100 -0.315 0.000 0.909 106 P CB -0.049 31.340 31.700 -0.519 0.000 1.882 107 G N -0.079 108.594 108.800 -0.211 0.000 2.476 107 G HA2 0.437 4.398 3.960 0.002 0.000 0.269 107 G HA3 0.437 4.398 3.960 0.002 0.000 0.269 107 G C -0.868 173.959 174.900 -0.122 0.000 1.195 107 G CA -0.252 44.792 45.100 -0.093 0.000 0.843 107 G HN 0.132 nan 8.290 nan 0.000 0.545 108 V N 1.762 121.667 119.914 -0.015 0.000 2.482 108 V HA 0.370 4.491 4.120 0.002 0.000 0.295 108 V C -0.821 175.329 176.094 0.092 0.000 1.026 108 V CA -0.564 61.652 62.300 -0.139 0.000 0.856 108 V CB 1.230 32.637 31.823 -0.693 0.000 1.001 108 V HN 0.665 nan 8.190 nan 0.000 0.424 109 F N 3.198 123.049 119.950 -0.166 0.000 2.415 109 F HA 0.517 5.045 4.527 0.002 0.000 0.348 109 F C 0.389 176.050 175.800 -0.233 0.000 1.119 109 F CA -0.742 57.161 58.000 -0.161 0.000 1.069 109 F CB 1.371 40.345 39.000 -0.043 0.000 1.124 109 F HN 0.549 nan 8.300 nan 0.000 0.472 110 H N 2.238 121.425 119.070 0.194 0.000 2.556 110 H HA 0.442 4.999 4.556 0.002 0.000 0.310 110 H C -0.736 174.663 175.328 0.119 0.000 1.057 110 H CA -0.543 55.662 56.048 0.262 0.000 1.264 110 H CB 1.459 31.509 29.762 0.480 0.000 1.404 110 H HN 0.237 nan 8.280 nan 0.000 0.462 111 V N 3.289 123.240 119.914 0.063 0.000 2.495 111 V HA 0.230 4.351 4.120 0.002 0.000 0.298 111 V C 0.133 175.967 176.094 -0.434 0.000 1.031 111 V CA -0.935 61.304 62.300 -0.101 0.000 0.871 111 V CB 1.879 33.673 31.823 -0.047 0.000 0.988 111 V HN 0.920 nan 8.190 nan 0.000 0.432 112 T N 1.979 116.275 114.554 -0.430 0.000 2.891 112 T HA 0.617 4.968 4.350 0.002 0.000 0.315 112 T C 0.302 174.854 174.700 -0.246 0.000 1.054 112 T CA -0.192 61.565 62.100 -0.571 0.000 0.958 112 T CB 0.768 69.406 68.868 -0.383 0.000 1.008 112 T HN 1.021 nan 8.240 nan 0.000 0.521 113 A N 4.152 126.884 122.820 -0.147 0.000 2.563 113 A HA 0.296 4.617 4.320 0.002 0.000 0.256 113 A C 0.706 178.295 177.584 0.008 0.000 1.056 113 A CA -0.029 51.993 52.037 -0.025 0.000 0.775 113 A CB -0.250 18.847 19.000 0.162 0.000 0.973 113 A HN 0.972 nan 8.150 nan 0.000 0.516 114 R N 2.667 123.157 120.500 -0.017 0.000 2.744 114 R HA 0.636 4.977 4.340 0.002 0.000 0.279 114 R C 0.022 176.329 176.300 0.012 0.000 0.977 114 R CA -0.216 55.893 56.100 0.015 0.000 0.906 114 R CB 1.529 31.823 30.300 -0.010 0.000 1.197 114 R HN 0.929 nan 8.270 nan 0.000 0.463 115 A N 4.137 126.980 122.820 0.038 0.000 2.507 115 A HA 0.211 4.532 4.320 0.002 0.000 0.235 115 A C 0.176 177.767 177.584 0.011 0.000 1.070 115 A CA -0.040 52.014 52.037 0.027 0.000 0.768 115 A CB 0.131 19.162 19.000 0.052 0.000 1.011 115 A HN 0.550 nan 8.150 nan 0.000 0.502 116 I N 0.826 121.400 120.570 0.007 0.000 2.488 116 I HA 0.361 4.532 4.170 0.002 0.000 0.299 116 I C 0.961 177.072 176.117 -0.009 0.000 0.984 116 I CA -0.209 61.091 61.300 -0.001 0.000 1.250 116 I CB 1.193 39.194 38.000 0.003 0.000 1.389 116 I HN 0.724 nan 8.210 nan 0.000 0.488 117 A N 4.634 127.442 122.820 -0.020 0.000 2.444 117 A HA 0.574 4.895 4.320 0.002 0.000 0.273 117 A C 0.458 178.018 177.584 -0.040 0.000 1.136 117 A CA 0.363 52.373 52.037 -0.045 0.000 0.799 117 A CB 0.123 19.097 19.000 -0.044 0.000 1.081 117 A HN 0.979 nan 8.150 nan 0.000 0.509 118 A N 2.184 124.971 122.820 -0.055 0.000 2.385 118 A HA 0.385 4.706 4.320 0.002 0.000 0.209 118 A C 1.588 179.168 177.584 -0.007 0.000 2.123 118 A CA 0.498 52.538 52.037 0.004 0.000 1.674 118 A CB -0.513 18.535 19.000 0.080 0.000 1.212 118 A HN 1.040 nan 8.150 nan 0.000 0.422 119 H N 0.353 119.445 119.070 0.037 0.000 2.521 119 H HA 0.438 4.995 4.556 0.002 0.000 0.286 119 H C 0.323 175.696 175.328 0.075 0.000 1.034 119 H CA 1.394 57.480 56.048 0.063 0.000 1.278 119 H CB -0.298 29.504 29.762 0.067 0.000 1.386 119 H HN 0.750 nan 8.280 nan 0.000 0.567 120 A N 0.494 122.883 122.820 -0.718 0.000 2.586 120 A HA 0.493 4.814 4.320 0.002 0.000 0.290 120 A C -1.492 175.922 177.584 -0.283 0.000 1.086 120 A CA -0.749 51.012 52.037 -0.461 0.000 0.665 120 A CB 0.936 19.612 19.000 -0.540 0.000 1.279 120 A HN 0.276 nan 8.150 nan 0.000 0.423 121 L N 0.706 121.844 121.223 -0.141 0.000 2.343 121 L HA 0.847 5.188 4.340 0.002 0.000 0.275 121 L C -0.074 176.769 176.870 -0.044 0.000 1.056 121 L CA -0.115 54.679 54.840 -0.076 0.000 0.804 121 L CB 1.665 43.698 42.059 -0.043 0.000 1.203 121 L HN 0.878 nan 8.230 nan 0.000 0.440 122 S N 3.542 119.235 115.700 -0.011 0.000 2.572 122 S HA 0.396 4.867 4.470 0.002 0.000 0.274 122 S C 0.217 174.821 174.600 0.006 0.000 1.150 122 S CA -0.824 57.408 58.200 0.054 0.000 0.944 122 S CB 1.364 64.636 63.200 0.121 0.000 1.071 122 S HN 0.691 nan 8.310 nan 0.000 0.479 123 I N 0.978 121.485 120.570 -0.104 0.000 3.883 123 I HA 0.471 4.642 4.170 0.002 0.000 0.326 123 I C -0.483 175.525 176.117 -0.182 0.000 1.283 123 I CA -0.257 60.931 61.300 -0.187 0.000 1.161 123 I CB -0.220 37.604 38.000 -0.293 0.000 1.012 123 I HN 0.275 nan 8.210 nan 0.000 0.421 124 F N 1.949 121.977 119.950 0.130 0.000 2.375 124 F HA 0.669 5.197 4.527 0.002 0.000 0.317 124 F C 1.400 177.294 175.800 0.157 0.000 1.124 124 F CA -0.550 57.559 58.000 0.182 0.000 1.050 124 F CB 0.424 39.440 39.000 0.025 0.000 1.314 124 F HN -0.121 nan 8.300 nan 0.000 0.511 125 G N 0.370 109.421 108.800 0.418 0.000 2.353 125 G HA2 0.513 4.474 3.960 0.002 0.000 0.284 125 G HA3 0.513 4.474 3.960 0.002 0.000 0.284 125 G C -1.523 173.424 174.900 0.078 0.000 1.172 125 G CA -0.186 45.047 45.100 0.222 0.000 0.854 125 G HN 0.706 nan 8.290 nan 0.000 0.485 126 D N -1.245 119.163 120.400 0.012 0.000 2.764 126 D HA 0.062 4.703 4.640 0.002 0.000 0.293 126 D C -0.312 175.953 176.300 -0.057 0.000 1.287 126 D CA -0.764 53.145 54.000 -0.152 0.000 0.768 126 D CB 0.193 40.900 40.800 -0.154 0.000 1.288 126 D HN 0.426 nan 8.370 nan 0.000 0.426 127 H N -0.514 118.468 119.070 -0.147 0.000 2.538 127 H HA 0.178 4.735 4.556 0.002 0.000 0.286 127 H C 0.921 176.126 175.328 -0.205 0.000 1.035 127 H CA -0.088 55.776 56.048 -0.306 0.000 1.169 127 H CB 0.479 29.877 29.762 -0.606 0.000 1.417 127 H HN 0.276 nan 8.280 nan 0.000 0.567 128 Q N 0.979 120.801 119.800 0.036 0.000 2.096 128 Q HA -0.185 4.156 4.340 0.002 0.000 0.204 128 Q C 1.702 177.708 176.000 0.009 0.000 0.982 128 Q CA 1.757 57.598 55.803 0.063 0.000 0.850 128 Q CB 0.069 28.825 28.738 0.030 0.000 0.901 128 Q HN 0.686 nan 8.270 nan 0.000 0.422 129 D N 0.892 121.260 120.400 -0.054 0.000 2.103 129 D HA -0.175 4.466 4.640 0.002 0.000 0.199 129 D C 1.905 178.105 176.300 -0.168 0.000 0.978 129 D CA 1.270 55.217 54.000 -0.089 0.000 0.829 129 D CB -0.636 40.111 40.800 -0.089 0.000 0.981 129 D HN 0.474 nan 8.370 nan 0.000 0.464 130 I N -2.507 117.870 120.570 -0.322 0.000 2.493 130 I HA -0.120 4.051 4.170 0.002 0.000 0.254 130 I C 2.282 178.171 176.117 -0.380 0.000 1.160 130 I CA 0.917 61.908 61.300 -0.515 0.000 1.445 130 I CB -0.947 36.398 38.000 -1.092 0.000 1.086 130 I HN -0.102 nan 8.210 nan 0.000 0.433 131 Y N 1.303 121.441 120.300 -0.270 0.000 2.373 131 Y HA 0.035 4.586 4.550 0.002 0.000 0.293 131 Y C 2.743 178.576 175.900 -0.112 0.000 1.129 131 Y CA 0.365 58.355 58.100 -0.183 0.000 1.226 131 Y CB -0.101 38.277 38.460 -0.136 0.000 1.000 131 Y HN 0.274 nan 8.280 nan 0.000 0.549 132 A N -0.123 122.724 122.820 0.045 0.000 2.067 132 A HA -0.015 4.306 4.320 0.002 0.000 0.219 132 A C 1.970 179.534 177.584 -0.033 0.000 1.158 132 A CA 1.493 53.534 52.037 0.007 0.000 0.661 132 A CB -0.600 18.393 19.000 -0.011 0.000 0.801 132 A HN 0.338 nan 8.150 nan 0.000 0.452 133 A N -0.164 122.603 122.820 -0.088 0.000 2.465 133 A HA 0.262 4.583 4.320 0.002 0.000 0.255 133 A C 1.673 179.169 177.584 -0.146 0.000 1.274 133 A CA 0.342 52.279 52.037 -0.167 0.000 0.920 133 A CB -0.336 18.510 19.000 -0.256 0.000 1.033 133 A HN 0.626 nan 8.150 nan 0.000 0.516 134 R N 0.357 120.841 120.500 -0.026 0.000 2.237 134 R HA -0.108 4.233 4.340 0.002 0.000 0.219 134 R C 1.276 177.576 176.300 0.000 0.000 1.080 134 R CA 1.462 57.597 56.100 0.060 0.000 0.995 134 R CB -0.131 30.319 30.300 0.250 0.000 0.875 134 R HN 0.524 nan 8.270 nan 0.000 0.462 135 Q N 1.137 120.906 119.800 -0.051 0.000 2.282 135 Q HA 0.015 4.356 4.340 0.002 0.000 0.206 135 Q C 0.877 176.761 176.000 -0.193 0.000 0.878 135 Q CA 0.967 56.742 55.803 -0.047 0.000 0.944 135 Q CB 0.553 29.322 28.738 0.052 0.000 1.100 135 Q HN 0.379 nan 8.270 nan 0.000 0.509 136 T N -3.076 111.221 114.554 -0.428 0.000 3.113 136 T HA 0.236 4.587 4.350 0.002 0.000 0.263 136 T C 1.421 175.954 174.700 -0.278 0.000 1.143 136 T CA 0.957 62.559 62.100 -0.830 0.000 1.090 136 T CB -0.101 68.302 68.868 -0.775 0.000 0.922 136 T HN 0.542 nan 8.240 nan 0.000 0.521 137 G N 0.372 109.124 108.800 -0.080 0.000 2.175 137 G HA2 -0.183 3.778 3.960 0.002 0.000 0.244 137 G HA3 -0.183 3.778 3.960 0.002 0.000 0.244 137 G C -0.170 174.841 174.900 0.186 0.000 0.982 137 G CA -0.280 44.856 45.100 0.061 0.000 0.641 137 G HN 0.497 nan 8.290 nan 0.000 0.527 138 F N 1.884 121.733 119.950 -0.168 0.000 2.399 138 F HA 0.672 5.200 4.527 0.002 0.000 0.342 138 F C 1.069 176.718 175.800 -0.252 0.000 1.106 138 F CA -0.246 57.605 58.000 -0.247 0.000 1.196 138 F CB 1.191 39.992 39.000 -0.332 0.000 1.163 138 F HN 0.340 nan 8.300 nan 0.000 0.547 139 A N 4.906 127.496 122.820 -0.383 0.000 2.386 139 A HA 0.610 4.931 4.320 0.002 0.000 0.248 139 A C -0.422 176.972 177.584 -0.316 0.000 1.082 139 A CA -0.337 51.359 52.037 -0.568 0.000 0.789 139 A CB 0.174 18.231 19.000 -1.572 0.000 1.025 139 A HN 0.776 nan 8.150 nan 0.000 0.490 140 M N 1.784 121.341 119.600 -0.071 0.000 2.151 140 M HA 0.393 4.874 4.480 0.002 0.000 0.290 140 M C -1.350 175.130 176.300 0.301 0.000 0.965 140 M CA -0.308 55.119 55.300 0.212 0.000 0.930 140 M CB 1.830 34.625 32.600 0.325 0.000 1.560 140 M HN 0.539 nan 8.290 nan 0.000 0.438 141 L N 3.242 124.665 121.223 0.333 0.000 2.349 141 L HA 0.908 5.249 4.340 0.002 0.000 0.278 141 L C -0.767 176.064 176.870 -0.065 0.000 0.996 141 L CA -0.152 54.802 54.840 0.190 0.000 0.825 141 L CB 1.650 43.864 42.059 0.259 0.000 1.243 141 L HN 0.795 nan 8.230 nan 0.000 0.412 142 A N 3.103 125.723 122.820 -0.332 0.000 2.312 142 A HA 0.840 5.161 4.320 0.002 0.000 0.328 142 A C -0.528 176.895 177.584 -0.268 0.000 1.158 142 A CA -0.217 51.371 52.037 -0.748 0.000 0.821 142 A CB 0.815 19.362 19.000 -0.754 0.000 1.170 142 A HN 0.785 nan 8.150 nan 0.000 0.490 143 S N 0.404 116.005 115.700 -0.165 0.000 2.521 143 S HA 0.541 5.012 4.470 0.002 0.000 0.295 143 S C 0.220 174.844 174.600 0.041 0.000 1.098 143 S CA 0.048 58.247 58.200 -0.002 0.000 0.999 143 S CB 1.581 64.859 63.200 0.129 0.000 1.034 143 S HN 1.210 nan 8.310 nan 0.000 0.483 144 S N 0.405 116.149 115.700 0.073 0.000 2.554 144 S HA 0.418 4.889 4.470 0.002 0.000 0.226 144 S C 0.426 175.106 174.600 0.133 0.000 0.980 144 S CA 0.032 58.306 58.200 0.124 0.000 0.939 144 S CB -0.554 62.725 63.200 0.132 0.000 0.832 144 S HN 1.255 nan 8.310 nan 0.000 0.486 145 S N -0.771 114.996 115.700 0.111 0.000 2.596 145 S HA 0.543 5.014 4.470 0.002 0.000 0.270 145 S C 0.625 175.264 174.600 0.066 0.000 1.155 145 S CA -0.494 57.766 58.200 0.101 0.000 0.827 145 S CB 1.002 64.263 63.200 0.101 0.000 1.130 145 S HN -0.059 nan 8.310 nan 0.000 0.467 146 V N 1.332 121.283 119.914 0.060 0.000 2.380 146 V HA -0.199 3.922 4.120 0.002 0.000 0.251 146 V C 2.886 178.998 176.094 0.030 0.000 1.063 146 V CA 2.656 64.970 62.300 0.023 0.000 1.055 146 V CB -1.077 30.773 31.823 0.045 0.000 0.657 146 V HN 0.985 nan 8.190 nan 0.000 0.455 147 Q N 0.409 120.249 119.800 0.066 0.000 2.079 147 Q HA -0.192 4.149 4.340 0.002 0.000 0.200 147 Q C 2.105 178.181 176.000 0.127 0.000 0.974 147 Q CA 1.913 57.770 55.803 0.089 0.000 0.840 147 Q CB -0.294 28.508 28.738 0.107 0.000 0.898 147 Q HN 0.695 nan 8.270 nan 0.000 0.430 148 E N -0.478 119.790 120.200 0.113 0.000 2.150 148 E HA -0.140 4.211 4.350 0.002 0.000 0.193 148 E C 1.840 178.439 176.600 -0.002 0.000 0.985 148 E CA 0.658 57.094 56.400 0.060 0.000 0.814 148 E CB -0.165 29.565 29.700 0.051 0.000 0.752 148 E HN 0.500 nan 8.360 nan 0.000 0.466 149 A N 1.661 124.480 122.820 -0.002 0.000 1.883 149 A HA -0.265 4.056 4.320 0.002 0.000 0.217 149 A C 2.098 179.668 177.584 -0.022 0.000 1.186 149 A CA 1.867 53.878 52.037 -0.045 0.000 0.624 149 A CB -0.833 17.951 19.000 -0.360 0.000 0.822 149 A HN 0.390 nan 8.150 nan 0.000 0.444 150 H N 0.208 119.240 119.070 -0.063 0.000 2.321 150 H HA -0.135 4.422 4.556 0.002 0.000 0.300 150 H C 1.324 176.627 175.328 -0.041 0.000 1.087 150 H CA 1.965 58.000 56.048 -0.022 0.000 1.319 150 H CB -0.245 29.520 29.762 0.005 0.000 1.379 150 H HN 0.412 nan 8.280 nan 0.000 0.501 151 D N 0.563 121.013 120.400 0.082 0.000 2.097 151 D HA -0.127 4.514 4.640 0.002 0.000 0.197 151 D C 2.444 178.612 176.300 -0.220 0.000 0.984 151 D CA 0.835 54.831 54.000 -0.006 0.000 0.826 151 D CB -0.146 40.727 40.800 0.123 0.000 0.973 151 D HN 0.344 nan 8.370 nan 0.000 0.460 152 M N 0.686 120.096 119.600 -0.316 0.000 2.175 152 M HA 0.031 4.512 4.480 0.002 0.000 0.264 152 M C 2.314 178.305 176.300 -0.515 0.000 1.063 152 M CA 0.607 55.674 55.300 -0.390 0.000 1.119 152 M CB -1.155 31.249 32.600 -0.326 0.000 1.377 152 M HN -0.034 nan 8.290 nan 0.000 0.415 153 A N 0.455 122.869 122.820 -0.676 0.000 1.908 153 A HA -0.184 4.137 4.320 0.002 0.000 0.218 153 A C 2.247 179.779 177.584 -0.086 0.000 1.181 153 A CA 1.604 53.407 52.037 -0.390 0.000 0.627 153 A CB -0.919 17.991 19.000 -0.150 0.000 0.818 153 A HN 0.426 nan 8.150 nan 0.000 0.445 154 L N -0.339 120.759 121.223 -0.209 0.000 2.072 154 L HA -0.049 4.292 4.340 0.002 0.000 0.205 154 L C 2.379 179.135 176.870 -0.191 0.000 1.079 154 L CA 1.731 56.464 54.840 -0.179 0.000 0.752 154 L CB -0.552 41.365 42.059 -0.237 0.000 0.906 154 L HN 0.135 nan 8.230 nan 0.000 0.436 155 V N 0.257 120.048 119.914 -0.206 0.000 2.295 155 V HA -0.307 3.814 4.120 0.002 0.000 0.246 155 V C 2.838 178.698 176.094 -0.390 0.000 1.049 155 V CA 1.664 63.834 62.300 -0.217 0.000 1.024 155 V CB -1.340 30.401 31.823 -0.136 0.000 0.648 155 V HN 0.612 nan 8.190 nan 0.000 0.447 156 A N -1.073 121.517 122.820 -0.384 0.000 1.892 156 A HA -0.303 4.018 4.320 0.002 0.000 0.218 156 A C 2.146 179.299 177.584 -0.718 0.000 1.188 156 A CA 2.197 53.868 52.037 -0.610 0.000 0.631 156 A CB -0.858 18.003 19.000 -0.231 0.000 0.822 156 A HN 0.686 nan 8.150 nan 0.000 0.447 157 H N -0.527 118.307 119.070 -0.394 0.000 2.326 157 H HA -0.036 4.521 4.556 0.002 0.000 0.301 157 H C 2.190 177.237 175.328 -0.467 0.000 1.081 157 H CA 1.795 57.637 56.048 -0.343 0.000 1.334 157 H CB -0.308 29.327 29.762 -0.213 0.000 1.385 157 H HN 0.427 nan 8.280 nan 0.000 0.504 158 L N 0.199 121.153 121.223 -0.448 0.000 2.012 158 L HA -0.167 4.174 4.340 0.002 0.000 0.210 158 L C 2.942 179.274 176.870 -0.896 0.000 1.073 158 L CA 1.102 55.476 54.840 -0.776 0.000 0.748 158 L CB -0.495 40.861 42.059 -1.171 0.000 0.891 158 L HN 0.204 nan 8.230 nan 0.000 0.431 159 A N -0.204 122.123 122.820 -0.822 0.000 1.969 159 A HA -0.110 4.211 4.320 0.002 0.000 0.218 159 A C 2.512 179.807 177.584 -0.482 0.000 1.169 159 A CA 1.584 53.289 52.037 -0.554 0.000 0.635 159 A CB -0.625 18.003 19.000 -0.621 0.000 0.810 159 A HN 0.405 nan 8.150 nan 0.000 0.445 160 A N 0.019 122.446 122.820 -0.654 0.000 1.898 160 A HA -0.041 4.280 4.320 0.002 0.000 0.216 160 A C 2.097 179.541 177.584 -0.234 0.000 1.181 160 A CA 1.414 53.266 52.037 -0.309 0.000 0.620 160 A CB -0.563 18.257 19.000 -0.301 0.000 0.819 160 A HN 0.477 nan 8.150 nan 0.000 0.442 161 I N -0.619 119.787 120.570 -0.274 0.000 2.127 161 I HA -0.275 3.896 4.170 0.002 0.000 0.241 161 I C 2.603 178.651 176.117 -0.114 0.000 1.075 161 I CA 2.002 63.169 61.300 -0.222 0.000 1.334 161 I CB -0.248 37.638 38.000 -0.191 0.000 1.040 161 I HN 0.540 nan 8.210 nan 0.000 0.405 162 E N 0.526 120.681 120.200 -0.075 0.000 2.152 162 E HA -0.181 4.170 4.350 0.002 0.000 0.192 162 E C 2.135 178.770 176.600 0.057 0.000 0.983 162 E CA 1.362 57.785 56.400 0.038 0.000 0.818 162 E CB 0.126 29.920 29.700 0.158 0.000 0.758 162 E HN 0.510 nan 8.360 nan 0.000 0.467 163 S N -0.411 115.312 115.700 0.039 0.000 2.486 163 S HA 0.038 4.509 4.470 0.002 0.000 0.220 163 S C 0.895 175.547 174.600 0.086 0.000 1.011 163 S CA 0.333 58.581 58.200 0.081 0.000 0.921 163 S CB 0.145 63.404 63.200 0.098 0.000 0.785 163 S HN 0.335 nan 8.310 nan 0.000 0.517 164 N N 0.078 118.774 118.700 -0.007 0.000 2.850 164 N HA -0.115 4.627 4.740 0.002 0.000 0.249 164 N C -1.051 174.354 175.510 -0.175 0.000 1.060 164 N CA 0.809 53.810 53.050 -0.082 0.000 0.825 164 N CB -1.508 36.938 38.487 -0.069 0.000 1.132 164 N HN 0.391 nan 8.380 nan 0.000 0.564 165 V N 2.464 122.283 119.914 -0.158 0.000 2.384 165 V HA 0.350 4.471 4.120 0.002 0.000 0.287 165 V C -1.733 174.199 176.094 -0.270 0.000 1.020 165 V CA -1.246 60.869 62.300 -0.308 0.000 0.850 165 V CB 1.951 33.519 31.823 -0.425 0.000 0.987 165 V HN -0.046 nan 8.190 nan 0.000 0.436 166 P HA 0.127 nan 4.420 nan 0.000 0.267 166 P C -1.098 175.806 177.300 -0.660 0.000 1.200 166 P CA 0.088 62.720 63.100 -0.780 0.000 0.772 166 P CB 0.624 31.340 31.700 -1.640 0.000 0.855 167 F N 1.355 121.003 119.950 -0.503 0.000 2.532 167 F HA 0.518 5.046 4.527 0.002 0.000 0.321 167 F C 0.731 176.549 175.800 0.029 0.000 1.089 167 F CA -0.875 57.011 58.000 -0.190 0.000 0.926 167 F CB 2.065 40.951 39.000 -0.190 0.000 1.168 167 F HN 0.173 nan 8.300 nan 0.000 0.459 168 M N 4.659 124.416 119.600 0.262 0.000 2.043 168 M HA 0.342 4.823 4.480 0.002 0.000 0.322 168 M C -1.664 174.859 176.300 0.371 0.000 0.962 168 M CA -0.563 54.897 55.300 0.267 0.000 0.927 168 M CB 0.455 33.140 32.600 0.142 0.000 1.466 168 M HN 0.672 nan 8.290 nan 0.000 0.412 169 H N 6.202 125.414 119.070 0.236 0.000 2.552 169 H HA 0.573 5.130 4.556 0.002 0.000 0.311 169 H C -1.921 173.652 175.328 0.408 0.000 1.071 169 H CA -0.539 55.686 56.048 0.295 0.000 1.307 169 H CB 0.459 30.402 29.762 0.301 0.000 1.416 169 H HN 0.613 nan 8.280 nan 0.000 0.464 170 F N 4.357 124.253 119.950 -0.090 0.000 2.613 170 F HA 0.714 5.242 4.527 0.002 0.000 0.314 170 F C -1.942 173.842 175.800 -0.027 0.000 1.075 170 F CA -1.426 56.438 58.000 -0.226 0.000 0.945 170 F CB 1.339 40.212 39.000 -0.212 0.000 1.310 170 F HN 0.387 nan 8.300 nan 0.000 0.467 171 F N -1.222 118.692 119.950 -0.061 0.000 2.668 171 F HA 0.519 5.047 4.527 0.002 0.000 0.309 171 F C -1.267 174.625 175.800 0.154 0.000 1.117 171 F CA -1.475 56.515 58.000 -0.017 0.000 0.951 171 F CB 0.770 39.762 39.000 -0.013 0.000 1.323 171 F HN 0.329 nan 8.300 nan 0.000 0.451 172 D N 1.635 122.240 120.400 0.341 0.000 2.450 172 D HA 0.280 4.921 4.640 0.002 0.000 0.247 172 D C 0.539 176.979 176.300 0.233 0.000 1.162 172 D CA 0.552 54.724 54.000 0.286 0.000 0.879 172 D CB 1.148 42.129 40.800 0.302 0.000 1.163 172 D HN 0.987 nan 8.370 nan 0.000 0.472 173 G N 1.593 110.479 108.800 0.143 0.000 2.305 173 G HA2 0.171 4.132 3.960 0.002 0.000 0.243 173 G HA3 0.171 4.132 3.960 0.002 0.000 0.243 173 G C 0.489 175.562 174.900 0.287 0.000 1.288 173 G CA -0.175 44.974 45.100 0.081 0.000 0.901 173 G HN 0.487 nan 8.290 nan 0.000 0.516 174 F N 0.298 120.364 119.950 0.193 0.000 2.568 174 F HA -0.349 4.179 4.527 0.002 0.000 0.685 174 F C 2.386 178.469 175.800 0.472 0.000 0.487 174 F CA 2.357 60.498 58.000 0.236 0.000 0.705 174 F CB -1.136 38.008 39.000 0.240 0.000 1.601 174 F HN 0.537 nan 8.300 nan 0.000 0.264 175 R N 0.416 121.273 120.500 0.594 0.000 2.139 175 R HA -0.100 4.241 4.340 0.002 0.000 0.243 175 R C 1.719 178.240 176.300 0.367 0.000 1.145 175 R CA 2.602 58.946 56.100 0.405 0.000 0.976 175 R CB -0.815 29.634 30.300 0.249 0.000 0.866 175 R HN 0.648 nan 8.270 nan 0.000 0.449 176 T N -2.002 112.789 114.554 0.396 0.000 3.125 176 T HA 0.024 4.375 4.350 0.002 0.000 0.252 176 T C 1.522 176.464 174.700 0.404 0.000 0.981 176 T CA 0.508 62.824 62.100 0.359 0.000 1.069 176 T CB -0.044 69.044 68.868 0.368 0.000 1.091 176 T HN 0.384 nan 8.240 nan 0.000 0.460 177 S N 1.691 117.722 115.700 0.551 0.000 2.387 177 S HA -0.208 4.263 4.470 0.002 0.000 0.230 177 S C 1.486 176.314 174.600 0.379 0.000 1.035 177 S CA 1.584 60.128 58.200 0.573 0.000 1.014 177 S CB -0.496 62.993 63.200 0.482 0.000 0.836 177 S HN 0.566 nan 8.310 nan 0.000 0.466 178 H N 0.722 119.920 119.070 0.214 0.000 2.652 178 H HA 0.471 5.028 4.556 0.002 0.000 0.274 178 H C 0.287 175.776 175.328 0.269 0.000 1.021 178 H CA -0.170 56.006 56.048 0.214 0.000 1.187 178 H CB 0.104 30.021 29.762 0.259 0.000 1.505 178 H HN 0.692 nan 8.280 nan 0.000 0.530 179 E N 1.315 121.759 120.200 0.407 0.000 2.354 179 E HA 0.200 4.551 4.350 0.002 0.000 0.269 179 E C -0.575 176.152 176.600 0.211 0.000 1.036 179 E CA -0.327 56.285 56.400 0.353 0.000 0.876 179 E CB 0.668 30.555 29.700 0.312 0.000 1.009 179 E HN 0.223 nan 8.360 nan 0.000 0.416 180 I N 3.854 124.525 120.570 0.167 0.000 2.392 180 I HA 0.259 4.430 4.170 0.002 0.000 0.295 180 I C 0.101 176.259 176.117 0.068 0.000 0.985 180 I CA -0.631 60.739 61.300 0.116 0.000 1.221 180 I CB 1.387 39.470 38.000 0.139 0.000 1.366 180 I HN 0.496 nan 8.210 nan 0.000 0.467 181 Q N 4.515 124.352 119.800 0.061 0.000 2.418 181 Q HA 0.315 4.656 4.340 0.002 0.000 0.282 181 Q C -1.150 174.883 176.000 0.055 0.000 1.044 181 Q CA -0.999 54.838 55.803 0.057 0.000 0.813 181 Q CB 3.380 32.158 28.738 0.067 0.000 1.428 181 Q HN 0.492 nan 8.270 nan 0.000 0.402 182 K N 3.101 123.543 120.400 0.071 0.000 2.285 182 K HA 0.479 4.800 4.320 0.002 0.000 0.286 182 K C -0.270 176.362 176.600 0.052 0.000 1.072 182 K CA 0.036 56.349 56.287 0.043 0.000 0.913 182 K CB 0.133 32.649 32.500 0.027 0.000 1.067 182 K HN 0.616 nan 8.250 nan 0.000 0.479 183 I N -0.709 119.864 120.570 0.004 0.000 3.466 183 I HA 0.510 4.681 4.170 0.002 0.000 0.311 183 I C -1.254 174.818 176.117 -0.075 0.000 1.155 183 I CA -1.195 60.099 61.300 -0.010 0.000 0.959 183 I CB 2.073 40.058 38.000 -0.025 0.000 1.332 183 I HN 0.460 nan 8.210 nan 0.000 0.483 184 E N 1.548 121.678 120.200 -0.116 0.000 2.187 184 E HA 0.563 4.914 4.350 0.002 0.000 0.268 184 E C -1.193 175.179 176.600 -0.380 0.000 0.896 184 E CA -0.857 55.440 56.400 -0.172 0.000 0.766 184 E CB 2.854 32.493 29.700 -0.102 0.000 1.142 184 E HN 0.562 nan 8.360 nan 0.000 0.408 185 V N 0.873 120.552 119.914 -0.391 0.000 2.815 185 V HA 0.595 4.716 4.120 0.002 0.000 0.314 185 V C -0.405 175.612 176.094 -0.130 0.000 1.064 185 V CA -0.999 60.952 62.300 -0.582 0.000 0.952 185 V CB 1.326 32.816 31.823 -0.556 0.000 1.020 185 V HN 0.549 nan 8.190 nan 0.000 0.439 186 L N 1.816 123.162 121.223 0.206 0.000 2.379 186 L HA 0.520 4.861 4.340 0.002 0.000 0.269 186 L C 0.131 177.202 176.870 0.334 0.000 1.084 186 L CA -0.586 54.405 54.840 0.251 0.000 0.802 186 L CB 1.068 43.298 42.059 0.286 0.000 1.175 186 L HN 0.695 nan 8.230 nan 0.000 0.448 187 D N -0.019 120.502 120.400 0.202 0.000 2.357 187 D HA -0.010 4.631 4.640 0.002 0.000 0.242 187 D C 0.705 177.170 176.300 0.275 0.000 1.153 187 D CA -0.074 54.036 54.000 0.184 0.000 0.918 187 D CB 0.726 41.573 40.800 0.077 0.000 1.181 187 D HN 0.302 nan 8.370 nan 0.000 0.435 188 Y N 0.903 121.177 120.300 -0.044 0.000 2.256 188 Y HA -0.164 4.387 4.550 0.002 0.000 0.288 188 Y C 2.319 178.174 175.900 -0.075 0.000 1.155 188 Y CA 0.789 58.833 58.100 -0.093 0.000 1.203 188 Y CB -1.041 37.347 38.460 -0.121 0.000 0.980 188 Y HN 0.467 nan 8.280 nan 0.000 0.530 189 A N 0.085 122.975 122.820 0.117 0.000 1.933 189 A HA -0.186 4.135 4.320 0.002 0.000 0.218 189 A C 1.972 179.571 177.584 0.026 0.000 1.175 189 A CA 1.963 54.026 52.037 0.044 0.000 0.628 189 A CB -0.644 18.377 19.000 0.034 0.000 0.814 189 A HN 0.327 nan 8.150 nan 0.000 0.444 190 D N -0.337 120.093 120.400 0.049 0.000 2.117 190 D HA -0.129 4.512 4.640 0.002 0.000 0.197 190 D C 2.059 178.370 176.300 0.018 0.000 0.987 190 D CA 1.437 55.462 54.000 0.042 0.000 0.829 190 D CB -0.376 40.465 40.800 0.069 0.000 0.961 190 D HN 0.503 nan 8.370 nan 0.000 0.460 191 M N 0.481 120.079 119.600 -0.003 0.000 2.086 191 M HA -0.125 4.356 4.480 0.002 0.000 0.261 191 M C 2.361 178.595 176.300 -0.110 0.000 1.067 191 M CA 1.527 56.782 55.300 -0.074 0.000 1.116 191 M CB -0.325 32.177 32.600 -0.163 0.000 1.348 191 M HN -0.016 nan 8.290 nan 0.000 0.407 192 A N 0.530 123.272 122.820 -0.129 0.000 1.948 192 A HA -0.195 4.126 4.320 0.002 0.000 0.220 192 A C 2.275 179.811 177.584 -0.079 0.000 1.177 192 A CA 2.291 54.235 52.037 -0.154 0.000 0.636 192 A CB -1.014 17.893 19.000 -0.155 0.000 0.815 192 A HN 0.622 nan 8.150 nan 0.000 0.449 193 S N -1.300 114.380 115.700 -0.034 0.000 2.481 193 S HA 0.016 4.487 4.470 0.002 0.000 0.231 193 S C 1.433 176.045 174.600 0.019 0.000 0.996 193 S CA 1.139 59.337 58.200 -0.003 0.000 0.942 193 S CB -0.245 62.962 63.200 0.011 0.000 0.768 193 S HN 0.208 nan 8.310 nan 0.000 0.520 194 L N 1.596 122.831 121.223 0.019 0.000 2.446 194 L HA 0.387 4.728 4.340 0.002 0.000 0.219 194 L C 0.547 177.477 176.870 0.100 0.000 1.116 194 L CA 0.183 55.072 54.840 0.082 0.000 0.844 194 L CB -0.452 41.660 42.059 0.087 0.000 0.970 194 L HN 0.180 nan 8.230 nan 0.000 0.457 195 V N 1.277 121.193 119.914 0.005 0.000 2.585 195 V HA -0.019 4.102 4.120 0.002 0.000 0.296 195 V C 0.827 176.953 176.094 0.054 0.000 1.035 195 V CA -0.331 61.961 62.300 -0.014 0.000 1.084 195 V CB 0.542 32.326 31.823 -0.065 0.000 0.953 195 V HN 0.316 nan 8.190 nan 0.000 0.483 196 N N 4.850 123.597 118.700 0.078 0.000 2.421 196 N HA 0.025 4.767 4.740 0.002 0.000 0.260 196 N C 1.093 176.651 175.510 0.079 0.000 1.173 196 N CA -0.055 53.055 53.050 0.100 0.000 0.960 196 N CB 1.034 39.596 38.487 0.126 0.000 1.273 196 N HN 0.585 nan 8.380 nan 0.000 0.497 197 Q N 2.368 122.214 119.800 0.075 0.000 2.181 197 Q HA -0.114 4.227 4.340 0.002 0.000 0.205 197 Q C 1.096 177.147 176.000 0.084 0.000 0.980 197 Q CA 1.229 57.083 55.803 0.085 0.000 0.862 197 Q CB 0.189 28.971 28.738 0.073 0.000 0.905 197 Q HN 0.515 nan 8.270 nan 0.000 0.429 198 K N 0.257 120.700 120.400 0.071 0.000 2.062 198 K HA 0.049 4.370 4.320 0.002 0.000 0.205 198 K C 1.985 178.632 176.600 0.079 0.000 1.051 198 K CA 1.011 57.338 56.287 0.065 0.000 0.941 198 K CB -0.374 32.157 32.500 0.051 0.000 0.719 198 K HN 0.147 nan 8.250 nan 0.000 0.440 199 A N 1.541 124.411 122.820 0.084 0.000 1.902 199 A HA -0.157 4.164 4.320 0.002 0.000 0.217 199 A C 2.213 179.875 177.584 0.130 0.000 1.181 199 A CA 1.283 53.377 52.037 0.094 0.000 0.623 199 A CB -0.602 18.444 19.000 0.076 0.000 0.818 199 A HN 0.217 nan 8.150 nan 0.000 0.443 200 L N -0.137 121.164 121.223 0.130 0.000 2.012 200 L HA -0.109 4.232 4.340 0.002 0.000 0.210 200 L C 2.661 179.659 176.870 0.214 0.000 1.073 200 L CA 2.346 57.302 54.840 0.194 0.000 0.748 200 L CB -0.804 41.366 42.059 0.186 0.000 0.891 200 L HN 0.343 nan 8.230 nan 0.000 0.431 201 A N -1.017 121.884 122.820 0.134 0.000 1.933 201 A HA -0.219 4.102 4.320 0.002 0.000 0.218 201 A C 2.235 179.861 177.584 0.071 0.000 1.175 201 A CA 1.607 53.695 52.037 0.086 0.000 0.628 201 A CB -0.652 18.382 19.000 0.057 0.000 0.814 201 A HN 0.543 nan 8.150 nan 0.000 0.444 202 E N -0.492 119.765 120.200 0.094 0.000 2.106 202 E HA -0.163 4.188 4.350 0.002 0.000 0.192 202 E C 1.586 178.251 176.600 0.109 0.000 0.984 202 E CA 1.411 57.858 56.400 0.079 0.000 0.806 202 E CB -0.534 29.218 29.700 0.086 0.000 0.750 202 E HN 0.586 nan 8.360 nan 0.000 0.458 203 F N 1.112 121.070 119.950 0.013 0.000 2.171 203 F HA -0.058 4.470 4.527 0.002 0.000 0.300 203 F C 1.934 177.744 175.800 0.016 0.000 1.090 203 F CA 1.573 59.578 58.000 0.010 0.000 1.293 203 F CB -0.114 38.893 39.000 0.011 0.000 1.013 203 F HN -0.068 nan 8.300 nan 0.000 0.486 204 R N 0.250 120.618 120.500 -0.220 0.000 2.090 204 R HA 0.042 4.383 4.340 0.002 0.000 0.228 204 R C 2.453 178.650 176.300 -0.171 0.000 1.110 204 R CA 0.985 56.882 56.100 -0.337 0.000 0.973 204 R CB -0.772 29.444 30.300 -0.141 0.000 0.869 204 R HN 0.393 nan 8.270 nan 0.000 0.440 205 A N 2.283 125.047 122.820 -0.094 0.000 2.015 205 A HA -0.180 4.141 4.320 0.002 0.000 0.219 205 A C 1.925 179.472 177.584 -0.062 0.000 1.163 205 A CA 1.423 53.402 52.037 -0.097 0.000 0.646 205 A CB -0.209 18.730 19.000 -0.102 0.000 0.806 205 A HN 0.373 nan 8.150 nan 0.000 0.448 206 K N -0.580 119.785 120.400 -0.057 0.000 2.393 206 K HA 0.222 4.543 4.320 0.002 0.000 0.193 206 K C 0.378 176.973 176.600 -0.008 0.000 1.026 206 K CA 0.394 56.655 56.287 -0.044 0.000 1.064 206 K CB 0.070 32.535 32.500 -0.058 0.000 0.833 206 K HN 0.195 nan 8.250 nan 0.000 0.521 207 S N 1.458 117.123 115.700 -0.058 0.000 2.596 207 S HA 0.158 4.629 4.470 0.002 0.000 0.260 207 S C 0.258 174.917 174.600 0.099 0.000 1.336 207 S CA -0.603 57.567 58.200 -0.050 0.000 0.993 207 S CB 0.400 63.432 63.200 -0.281 0.000 0.923 207 S HN 0.208 nan 8.310 nan 0.000 0.567 208 M N 3.030 122.660 119.600 0.050 0.000 2.252 208 M HA 0.097 4.578 4.480 0.002 0.000 0.348 208 M C 0.285 176.489 176.300 -0.160 0.000 1.334 208 M CA 0.752 56.008 55.300 -0.072 0.000 1.071 208 M CB -0.210 32.313 32.600 -0.129 0.000 1.763 208 M HN 0.515 nan 8.290 nan 0.000 0.452 209 N N 4.647 123.183 118.700 -0.273 0.000 2.666 209 N HA 0.192 4.933 4.740 0.002 0.000 0.260 209 N C -2.526 172.755 175.510 -0.382 0.000 1.077 209 N CA -0.926 51.900 53.050 -0.373 0.000 1.026 209 N CB 2.273 40.403 38.487 -0.596 0.000 1.653 209 N HN 0.228 nan 8.380 nan 0.000 0.533 210 P HA -0.083 nan 4.420 nan 0.000 0.225 210 P C 0.559 177.767 177.300 -0.154 0.000 1.148 210 P CA 1.007 64.005 63.100 -0.171 0.000 0.779 210 P CB 0.564 32.193 31.700 -0.117 0.000 0.780 211 E N -0.052 120.026 120.200 -0.203 0.000 2.274 211 E HA -0.107 4.244 4.350 0.002 0.000 0.194 211 E C 0.775 177.378 176.600 0.005 0.000 0.996 211 E CA 0.913 57.264 56.400 -0.081 0.000 0.840 211 E CB -0.323 29.373 29.700 -0.006 0.000 0.772 211 E HN 0.695 nan 8.360 nan 0.000 0.491 212 H N -1.675 117.392 119.070 -0.005 0.000 2.803 212 H HA 0.271 4.828 4.556 0.002 0.000 0.219 212 H C -2.759 172.592 175.328 0.039 0.000 1.379 212 H CA -1.529 54.528 56.048 0.014 0.000 1.415 212 H CB -0.289 29.482 29.762 0.015 0.000 1.943 212 H HN -0.108 nan 8.280 nan 0.000 0.569 213 P HA 0.116 nan 4.420 nan 0.000 0.271 213 P C -0.034 177.317 177.300 0.086 0.000 1.244 213 P CA 0.514 63.588 63.100 -0.043 0.000 0.793 213 P CB 1.489 33.139 31.700 -0.083 0.000 0.984 214 H N -2.986 116.080 119.070 -0.008 0.000 2.932 214 H HA 0.463 5.020 4.556 0.002 0.000 0.307 214 H C -1.804 173.523 175.328 -0.003 0.000 1.391 214 H CA -0.965 55.087 56.048 0.006 0.000 1.130 214 H CB 0.520 30.294 29.762 0.019 0.000 1.836 214 H HN 0.118 nan 8.280 nan 0.000 0.522 215 V N 2.153 122.122 119.914 0.093 0.000 2.459 215 V HA 0.488 4.609 4.120 0.002 0.000 0.295 215 V C 0.257 176.437 176.094 0.145 0.000 1.029 215 V CA -0.820 61.493 62.300 0.021 0.000 0.874 215 V CB 1.509 33.352 31.823 0.033 0.000 0.985 215 V HN 0.832 nan 8.190 nan 0.000 0.438 216 R N 2.647 123.195 120.500 0.080 0.000 2.807 216 R HA 0.764 5.105 4.340 0.002 0.000 0.276 216 R C 0.273 176.626 176.300 0.089 0.000 0.979 216 R CA -0.197 55.986 56.100 0.139 0.000 0.928 216 R CB 1.908 32.322 30.300 0.190 0.000 1.191 216 R HN 1.189 nan 8.270 nan 0.000 0.471 217 G N 1.688 110.552 108.800 0.107 0.000 2.368 217 G HA2 -0.281 3.680 3.960 0.002 0.000 0.290 217 G HA3 -0.281 3.680 3.960 0.002 0.000 0.290 217 G C 0.038 174.984 174.900 0.076 0.000 1.098 217 G CA 0.340 45.499 45.100 0.100 0.000 1.073 217 G HN 1.074 nan 8.290 nan 0.000 0.511 218 T N -2.020 112.582 114.554 0.081 0.000 2.788 218 T HA 0.792 5.143 4.350 0.002 0.000 0.280 218 T C 0.568 175.311 174.700 0.073 0.000 0.984 218 T CA 0.320 62.461 62.100 0.068 0.000 0.972 218 T CB 2.123 71.033 68.868 0.070 0.000 1.039 218 T HN 1.877 nan 8.240 nan 0.000 0.530 219 A N 1.250 124.104 122.820 0.058 0.000 2.303 219 A HA 0.603 4.924 4.320 0.002 0.000 0.320 219 A C -0.218 177.404 177.584 0.063 0.000 1.192 219 A CA -0.864 51.202 52.037 0.049 0.000 0.821 219 A CB 0.678 19.692 19.000 0.023 0.000 1.188 219 A HN 0.832 nan 8.150 nan 0.000 0.492 220 Q N 1.877 121.729 119.800 0.088 0.000 2.365 220 Q HA 0.345 4.686 4.340 0.002 0.000 0.269 220 Q C -0.675 175.373 176.000 0.079 0.000 1.061 220 Q CA -1.112 54.760 55.803 0.115 0.000 0.816 220 Q CB 1.951 30.818 28.738 0.214 0.000 1.325 220 Q HN 0.786 nan 8.270 nan 0.000 0.446 221 N N 1.284 120.029 118.700 0.075 0.000 2.405 221 N HA 0.182 4.923 4.740 0.002 0.000 0.269 221 N C -1.824 173.738 175.510 0.087 0.000 1.249 221 N CA -1.541 51.539 53.050 0.050 0.000 0.974 221 N CB 0.116 38.628 38.487 0.041 0.000 1.204 221 N HN 0.292 nan 8.380 nan 0.000 0.565 222 P HA -0.088 nan 4.420 nan 0.000 0.222 222 P C 0.423 177.795 177.300 0.120 0.000 1.147 222 P CA 0.984 64.140 63.100 0.094 0.000 0.790 222 P CB 0.127 31.860 31.700 0.055 0.000 0.780 223 D N 0.305 120.760 120.400 0.091 0.000 2.144 223 D HA -0.176 4.465 4.640 0.002 0.000 0.199 223 D C 1.656 178.013 176.300 0.094 0.000 0.984 223 D CA 1.444 55.492 54.000 0.080 0.000 0.834 223 D CB -1.051 39.783 40.800 0.056 0.000 0.955 223 D HN 0.355 nan 8.370 nan 0.000 0.465 224 I N -5.115 115.527 120.570 0.120 0.000 4.526 224 I HA 0.284 4.455 4.170 0.002 0.000 0.330 224 I C 1.831 178.042 176.117 0.156 0.000 1.323 224 I CA -0.699 60.670 61.300 0.115 0.000 1.218 224 I CB -0.073 37.976 38.000 0.082 0.000 1.233 224 I HN -0.197 nan 8.210 nan 0.000 0.430 225 Y N 2.189 122.542 120.300 0.089 0.000 2.081 225 Y HA -0.298 4.253 4.550 0.002 0.000 0.280 225 Y C 2.296 178.297 175.900 0.168 0.000 1.163 225 Y CA 2.602 60.758 58.100 0.094 0.000 1.135 225 Y CB -0.526 37.968 38.460 0.057 0.000 0.970 225 Y HN 0.278 nan 8.280 nan 0.000 0.498 226 F N 0.450 120.418 119.950 0.030 0.000 2.091 226 F HA -0.399 4.129 4.527 0.002 0.000 0.299 226 F C 2.217 177.954 175.800 -0.104 0.000 1.103 226 F CA 1.564 59.534 58.000 -0.050 0.000 1.228 226 F CB -0.097 38.931 39.000 0.047 0.000 0.984 226 F HN 0.201 nan 8.300 nan 0.000 0.477 227 Q N 0.268 120.124 119.800 0.093 0.000 2.084 227 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 227 Q C 2.349 178.340 176.000 -0.014 0.000 0.978 227 Q CA 1.631 57.416 55.803 -0.030 0.000 0.844 227 Q CB -1.058 27.658 28.738 -0.036 0.000 0.898 227 Q HN 0.527 nan 8.270 nan 0.000 0.426 228 G N 0.241 109.019 108.800 -0.036 0.000 2.432 228 G HA2 -0.308 3.653 3.960 0.002 0.000 0.219 228 G HA3 -0.308 3.653 3.960 0.002 0.000 0.219 228 G C 1.552 176.387 174.900 -0.109 0.000 1.135 228 G CA 0.778 45.837 45.100 -0.068 0.000 0.767 228 G HN 0.180 nan 8.290 nan 0.000 0.550 229 R N 0.294 120.686 120.500 -0.181 0.000 2.153 229 R HA 0.084 4.425 4.340 0.002 0.000 0.218 229 R C 2.066 178.358 176.300 -0.014 0.000 1.072 229 R CA 0.840 56.840 56.100 -0.166 0.000 0.990 229 R CB -0.040 30.080 30.300 -0.301 0.000 0.889 229 R HN 0.186 nan 8.270 nan 0.000 0.452 230 E N -0.267 119.960 120.200 0.045 0.000 2.442 230 E HA 0.063 4.414 4.350 0.002 0.000 0.195 230 E C 1.456 178.087 176.600 0.052 0.000 1.030 230 E CA 0.682 57.117 56.400 0.059 0.000 0.869 230 E CB 0.402 30.130 29.700 0.048 0.000 0.857 230 E HN 0.395 nan 8.360 nan 0.000 0.505 231 A N 1.188 124.034 122.820 0.044 0.000 2.125 231 A HA -0.038 4.283 4.320 0.002 0.000 0.219 231 A C 2.211 179.882 177.584 0.146 0.000 1.156 231 A CA 1.475 53.554 52.037 0.071 0.000 0.671 231 A CB -0.184 18.846 19.000 0.049 0.000 0.794 231 A HN 0.203 nan 8.150 nan 0.000 0.459 232 A N -0.248 122.673 122.820 0.168 0.000 2.218 232 A HA 0.025 4.346 4.320 0.002 0.000 0.209 232 A C 1.589 179.412 177.584 0.398 0.000 1.168 232 A CA 0.697 52.918 52.037 0.306 0.000 0.804 232 A CB -0.428 18.735 19.000 0.273 0.000 0.834 232 A HN 0.496 nan 8.150 nan 0.000 0.482 233 N N 1.123 119.968 118.700 0.242 0.000 2.091 233 N HA -0.166 4.575 4.740 0.002 0.000 0.193 233 N C -0.964 174.659 175.510 0.190 0.000 1.021 233 N CA 1.924 55.096 53.050 0.205 0.000 0.862 233 N CB -1.697 36.850 38.487 0.101 0.000 1.018 233 N HN 0.330 nan 8.380 nan 0.000 0.429 234 P HA -0.098 nan 4.420 nan 0.000 0.219 234 P C 1.022 178.228 177.300 -0.156 0.000 1.146 234 P CA 1.059 64.130 63.100 -0.048 0.000 0.808 234 P CB -0.118 31.501 31.700 -0.134 0.000 0.779 235 Y N -2.915 117.411 120.300 0.043 0.000 2.243 235 Y HA -0.114 4.437 4.550 0.002 0.000 0.293 235 Y C 2.216 178.044 175.900 -0.120 0.000 1.124 235 Y CA 1.190 59.256 58.100 -0.057 0.000 1.159 235 Y CB -1.080 37.307 38.460 -0.123 0.000 1.008 235 Y HN -0.054 nan 8.280 nan 0.000 0.527 236 Y N -0.554 119.824 120.300 0.130 0.000 2.352 236 Y HA -0.162 4.389 4.550 0.002 0.000 0.292 236 Y C 2.099 178.022 175.900 0.039 0.000 1.136 236 Y CA 1.003 59.141 58.100 0.064 0.000 1.227 236 Y CB -0.532 37.954 38.460 0.043 0.000 0.991 236 Y HN 0.071 nan 8.280 nan 0.000 0.545 237 L N -0.376 120.937 121.223 0.150 0.000 2.141 237 L HA -0.198 4.143 4.340 0.002 0.000 0.209 237 L C 2.085 178.981 176.870 0.043 0.000 1.094 237 L CA 1.173 56.063 54.840 0.082 0.000 0.763 237 L CB -0.280 41.807 42.059 0.048 0.000 0.908 237 L HN 0.044 nan 8.230 nan 0.000 0.437 238 K N -0.477 119.927 120.400 0.008 0.000 2.365 238 K HA 0.048 4.369 4.320 0.002 0.000 0.197 238 K C 2.049 178.669 176.600 0.034 0.000 1.042 238 K CA 0.516 56.802 56.287 -0.002 0.000 0.987 238 K CB -0.079 32.391 32.500 -0.050 0.000 0.779 238 K HN 0.142 nan 8.250 nan 0.000 0.484 239 V N 2.070 122.011 119.914 0.044 0.000 2.252 239 V HA -0.215 3.906 4.120 0.002 0.000 0.249 239 V C -0.826 175.340 176.094 0.120 0.000 1.056 239 V CA 1.965 64.316 62.300 0.085 0.000 1.022 239 V CB -1.358 30.485 31.823 0.034 0.000 0.641 239 V HN 0.164 nan 8.190 nan 0.000 0.445 240 P HA -0.152 nan 4.420 nan 0.000 0.214 240 P C 1.760 179.112 177.300 0.086 0.000 1.163 240 P CA 2.039 65.196 63.100 0.095 0.000 0.889 240 P CB -0.422 31.328 31.700 0.083 0.000 0.790 241 G N -0.309 108.529 108.800 0.063 0.000 2.440 241 G HA2 -0.261 3.700 3.960 0.002 0.000 0.218 241 G HA3 -0.261 3.700 3.960 0.002 0.000 0.218 241 G C 1.549 176.473 174.900 0.040 0.000 1.154 241 G CA 0.741 45.866 45.100 0.041 0.000 0.767 241 G HN 0.234 nan 8.290 nan 0.000 0.552 242 I N 0.367 120.977 120.570 0.067 0.000 2.226 242 I HA -0.163 4.008 4.170 0.002 0.000 0.245 242 I C 2.754 178.967 176.117 0.159 0.000 1.100 242 I CA 0.536 61.894 61.300 0.098 0.000 1.374 242 I CB -0.255 37.831 38.000 0.143 0.000 1.057 242 I HN 0.039 nan 8.210 nan 0.000 0.413 243 V N 1.063 121.077 119.914 0.166 0.000 2.343 243 V HA -0.271 3.850 4.120 0.002 0.000 0.247 243 V C 2.723 178.891 176.094 0.123 0.000 1.051 243 V CA 1.936 64.335 62.300 0.165 0.000 1.036 243 V CB -1.007 30.930 31.823 0.189 0.000 0.654 243 V HN 0.488 nan 8.190 nan 0.000 0.451 244 A N -0.027 122.846 122.820 0.089 0.000 1.933 244 A HA -0.264 4.057 4.320 0.002 0.000 0.218 244 A C 2.318 179.920 177.584 0.029 0.000 1.175 244 A CA 1.909 53.986 52.037 0.067 0.000 0.628 244 A CB -0.489 18.545 19.000 0.057 0.000 0.814 244 A HN 0.674 nan 8.150 nan 0.000 0.444 245 E N -1.318 118.864 120.200 -0.030 0.000 2.077 245 E HA -0.233 4.118 4.350 0.002 0.000 0.193 245 E C 1.730 178.205 176.600 -0.209 0.000 0.989 245 E CA 1.411 57.718 56.400 -0.156 0.000 0.800 245 E CB -0.350 29.182 29.700 -0.280 0.000 0.746 245 E HN 0.745 nan 8.360 nan 0.000 0.452 246 Y N 0.108 120.406 120.300 -0.004 0.000 2.373 246 Y HA -0.031 4.520 4.550 0.002 0.000 0.293 246 Y C 2.433 178.339 175.900 0.010 0.000 1.129 246 Y CA 0.891 58.980 58.100 -0.017 0.000 1.226 246 Y CB 0.059 38.480 38.460 -0.064 0.000 1.000 246 Y HN 0.075 nan 8.280 nan 0.000 0.549 247 M N -0.644 119.048 119.600 0.154 0.000 2.175 247 M HA -0.264 4.217 4.480 0.002 0.000 0.264 247 M C 1.947 178.337 176.300 0.149 0.000 1.063 247 M CA 1.734 57.136 55.300 0.170 0.000 1.119 247 M CB -0.219 32.490 32.600 0.181 0.000 1.377 247 M HN 0.278 nan 8.290 nan 0.000 0.415 248 Q N 0.068 119.917 119.800 0.082 0.000 2.083 248 Q HA -0.116 4.225 4.340 0.002 0.000 0.198 248 Q C 1.974 177.999 176.000 0.042 0.000 0.969 248 Q CA 1.231 57.063 55.803 0.048 0.000 0.838 248 Q CB 0.040 28.784 28.738 0.010 0.000 0.900 248 Q HN 0.434 nan 8.270 nan 0.000 0.436 249 K N -0.053 120.365 120.400 0.030 0.000 2.026 249 K HA -0.110 4.211 4.320 0.002 0.000 0.208 249 K C 2.078 178.730 176.600 0.086 0.000 1.048 249 K CA 1.385 57.696 56.287 0.041 0.000 0.929 249 K CB -0.154 32.366 32.500 0.033 0.000 0.713 249 K HN 0.032 nan 8.250 nan 0.000 0.439 250 V N 1.545 121.534 119.914 0.126 0.000 2.407 250 V HA -0.251 3.870 4.120 0.002 0.000 0.248 250 V C 2.357 178.526 176.094 0.125 0.000 1.055 250 V CA 1.975 64.355 62.300 0.132 0.000 1.049 250 V CB -0.681 31.231 31.823 0.148 0.000 0.662 250 V HN 0.357 nan 8.190 nan 0.000 0.455 251 A N 0.819 123.710 122.820 0.119 0.000 1.933 251 A HA -0.190 4.131 4.320 0.002 0.000 0.218 251 A C 2.467 180.083 177.584 0.053 0.000 1.175 251 A CA 2.048 54.135 52.037 0.084 0.000 0.628 251 A CB -0.703 18.334 19.000 0.061 0.000 0.814 251 A HN 0.694 nan 8.150 nan 0.000 0.444 252 S N -0.742 114.987 115.700 0.048 0.000 2.507 252 S HA 0.084 4.555 4.470 0.002 0.000 0.235 252 S C 1.569 176.192 174.600 0.039 0.000 0.988 252 S CA 1.110 59.330 58.200 0.034 0.000 0.944 252 S CB -0.333 62.882 63.200 0.025 0.000 0.762 252 S HN 0.456 nan 8.310 nan 0.000 0.526 253 L N 1.070 122.325 121.223 0.054 0.000 2.316 253 L HA 0.095 4.436 4.340 0.002 0.000 0.207 253 L C 2.845 179.749 176.870 0.057 0.000 1.070 253 L CA 1.350 56.224 54.840 0.056 0.000 0.820 253 L CB -0.271 41.830 42.059 0.071 0.000 0.992 253 L HN 0.576 nan 8.230 nan 0.000 0.466 254 T N -4.949 109.647 114.554 0.069 0.000 3.023 254 T HA 0.206 4.557 4.350 0.002 0.000 0.249 254 T C 1.467 176.192 174.700 0.042 0.000 1.050 254 T CA 0.699 62.838 62.100 0.065 0.000 1.088 254 T CB 0.848 69.777 68.868 0.103 0.000 0.946 254 T HN 0.342 nan 8.240 nan 0.000 0.480 255 G N 1.773 110.593 108.800 0.033 0.000 2.175 255 G HA2 -0.217 3.744 3.960 0.002 0.000 0.244 255 G HA3 -0.217 3.744 3.960 0.002 0.000 0.244 255 G C 0.091 174.978 174.900 -0.021 0.000 0.982 255 G CA -0.173 44.932 45.100 0.009 0.000 0.641 255 G HN 0.683 nan 8.290 nan 0.000 0.527 256 R N 0.906 121.391 120.500 -0.026 0.000 2.246 256 R HA 0.583 4.924 4.340 0.002 0.000 0.332 256 R C -0.367 175.765 176.300 -0.280 0.000 0.974 256 R CA -0.219 55.794 56.100 -0.145 0.000 0.837 256 R CB 1.458 31.720 30.300 -0.064 0.000 1.145 256 R HN 0.150 nan 8.270 nan 0.000 0.467 257 S N 2.210 117.688 115.700 -0.370 0.000 2.578 257 S HA 0.554 5.025 4.470 0.002 0.000 0.283 257 S C -1.061 173.211 174.600 -0.546 0.000 1.195 257 S CA -0.403 57.616 58.200 -0.302 0.000 1.050 257 S CB 0.658 63.786 63.200 -0.120 0.000 1.012 257 S HN 0.346 nan 8.310 nan 0.000 0.511 258 Y N 0.519 120.846 120.300 0.045 0.000 2.609 258 Y HA 0.576 5.127 4.550 0.002 0.000 0.342 258 Y C 0.137 176.065 175.900 0.047 0.000 1.058 258 Y CA -1.064 57.064 58.100 0.046 0.000 1.055 258 Y CB 1.601 40.084 38.460 0.040 0.000 1.292 258 Y HN 0.412 nan 8.280 nan 0.000 0.476 259 K N 0.519 121.052 120.400 0.222 0.000 2.433 259 K HA 0.480 4.801 4.320 0.002 0.000 0.252 259 K C 0.280 176.950 176.600 0.117 0.000 1.015 259 K CA -0.855 55.524 56.287 0.154 0.000 0.860 259 K CB 2.086 34.672 32.500 0.145 0.000 1.359 259 K HN 0.530 nan 8.250 nan 0.000 0.452 260 L N 0.416 121.690 121.223 0.085 0.000 2.127 260 L HA -0.040 4.301 4.340 0.002 0.000 0.211 260 L C 0.053 176.737 176.870 -0.311 0.000 1.089 260 L CA 1.526 56.329 54.840 -0.062 0.000 0.757 260 L CB -0.216 41.862 42.059 0.032 0.000 0.899 260 L HN 0.389 nan 8.230 nan 0.000 0.434 261 F N -1.189 118.799 119.950 0.063 0.000 2.573 261 F HA 0.382 4.910 4.527 0.002 0.000 0.316 261 F C -0.422 175.429 175.800 0.085 0.000 1.148 261 F CA -1.055 56.989 58.000 0.074 0.000 0.940 261 F CB 1.698 40.715 39.000 0.028 0.000 1.214 261 F HN -0.226 nan 8.300 nan 0.000 0.448 262 D N 1.846 122.404 120.400 0.262 0.000 2.350 262 D HA 0.208 4.849 4.640 0.002 0.000 0.245 262 D C -1.542 174.891 176.300 0.222 0.000 1.036 262 D CA -0.339 53.786 54.000 0.209 0.000 0.848 262 D CB 2.801 43.699 40.800 0.163 0.000 1.307 262 D HN 0.498 nan 8.370 nan 0.000 0.469 263 Y N 1.829 122.177 120.300 0.080 0.000 2.377 263 Y HA 0.465 5.016 4.550 0.002 0.000 0.339 263 Y C -0.730 175.208 175.900 0.063 0.000 1.011 263 Y CA -0.590 57.549 58.100 0.065 0.000 1.093 263 Y CB 1.155 39.632 38.460 0.028 0.000 1.201 263 Y HN 0.180 nan 8.280 nan 0.000 0.455 264 V N 2.788 122.206 119.914 -0.826 0.000 3.007 264 V HA 1.069 5.190 4.120 0.002 0.000 0.311 264 V C -0.159 175.444 176.094 -0.817 0.000 1.120 264 V CA -0.172 61.807 62.300 -0.534 0.000 0.980 264 V CB 1.136 32.834 31.823 -0.207 0.000 1.033 264 V HN 1.522 nan 8.190 nan 0.000 0.429 265 G N 1.117 109.727 108.800 -0.318 0.000 2.362 265 G HA2 0.488 4.449 3.960 0.002 0.000 0.517 265 G HA3 0.488 4.449 3.960 0.002 0.000 0.517 265 G C -0.035 174.935 174.900 0.116 0.000 1.256 265 G CA -0.149 44.872 45.100 -0.131 0.000 1.027 265 G HN 2.315 nan 8.290 nan 0.000 0.491 266 A N 1.114 124.025 122.820 0.151 0.000 2.492 266 A HA 0.610 4.931 4.320 0.002 0.000 0.254 266 A C -0.136 177.587 177.584 0.232 0.000 1.091 266 A CA 0.140 52.272 52.037 0.158 0.000 0.768 266 A CB 0.205 19.259 19.000 0.090 0.000 1.028 266 A HN 0.646 nan 8.150 nan 0.000 0.498 267 P HA -0.120 nan 4.420 nan 0.000 0.225 267 P C 0.099 177.412 177.300 0.023 0.000 1.148 267 P CA 1.390 64.538 63.100 0.081 0.000 0.779 267 P CB 0.110 31.844 31.700 0.057 0.000 0.780 268 D N -1.382 119.047 120.400 0.048 0.000 2.538 268 D HA 0.234 4.875 4.640 0.002 0.000 0.231 268 D C 0.337 176.669 176.300 0.053 0.000 1.229 268 D CA -0.824 53.195 54.000 0.033 0.000 0.828 268 D CB -0.564 40.252 40.800 0.026 0.000 1.035 268 D HN -0.039 nan 8.370 nan 0.000 0.495 269 A N 0.702 123.577 122.820 0.091 0.000 2.565 269 A HA 0.056 4.377 4.320 0.002 0.000 0.237 269 A C 0.965 178.609 177.584 0.099 0.000 1.053 269 A CA 0.160 52.266 52.037 0.115 0.000 0.755 269 A CB 0.290 19.419 19.000 0.215 0.000 0.980 269 A HN 0.258 nan 8.150 nan 0.000 0.506 270 E N 0.969 121.223 120.200 0.091 0.000 2.389 270 E HA 0.032 4.383 4.350 0.002 0.000 0.199 270 E C 0.026 176.697 176.600 0.119 0.000 0.978 270 E CA 0.365 56.818 56.400 0.087 0.000 0.912 270 E CB 0.334 30.072 29.700 0.064 0.000 0.907 270 E HN 0.663 nan 8.360 nan 0.000 0.494 271 R N 1.129 121.722 120.500 0.155 0.000 2.409 271 R HA 0.447 4.788 4.340 0.002 0.000 0.313 271 R C -1.274 175.219 176.300 0.323 0.000 0.953 271 R CA -0.393 55.840 56.100 0.222 0.000 0.849 271 R CB 2.349 32.800 30.300 0.252 0.000 1.171 271 R HN -0.148 nan 8.270 nan 0.000 0.458 272 V N 5.015 125.108 119.914 0.298 0.000 2.656 272 V HA 0.509 4.630 4.120 0.002 0.000 0.307 272 V C -0.014 176.237 176.094 0.263 0.000 1.051 272 V CA -0.802 61.699 62.300 0.335 0.000 0.893 272 V CB 2.355 34.371 31.823 0.323 0.000 0.999 272 V HN 0.627 nan 8.190 nan 0.000 0.426 273 I N 3.491 124.204 120.570 0.238 0.000 2.437 273 I HA 0.519 4.690 4.170 0.002 0.000 0.298 273 I C -0.698 175.549 176.117 0.217 0.000 0.984 273 I CA -0.887 60.497 61.300 0.140 0.000 1.214 273 I CB 2.075 40.072 38.000 -0.004 0.000 1.365 273 I HN 0.249 nan 8.210 nan 0.000 0.469 274 V N 4.742 124.802 119.914 0.244 0.000 2.378 274 V HA 0.462 4.583 4.120 0.002 0.000 0.288 274 V C -0.165 176.094 176.094 0.275 0.000 1.016 274 V CA -0.126 62.375 62.300 0.334 0.000 0.840 274 V CB 1.457 33.558 31.823 0.462 0.000 0.994 274 V HN 0.814 nan 8.190 nan 0.000 0.431 275 S N 4.810 120.669 115.700 0.266 0.000 2.651 275 S HA 0.864 5.335 4.470 0.002 0.000 0.279 275 S C -1.094 173.672 174.600 0.276 0.000 1.148 275 S CA -0.646 57.688 58.200 0.224 0.000 0.837 275 S CB 1.946 65.198 63.200 0.086 0.000 1.138 275 S HN 0.728 nan 8.310 nan 0.000 0.478 276 M N 1.997 121.783 119.600 0.310 0.000 2.446 276 M HA 0.626 5.107 4.480 0.002 0.000 0.294 276 M C -0.179 176.343 176.300 0.370 0.000 1.158 276 M CA 0.664 56.148 55.300 0.307 0.000 0.899 276 M CB 1.474 34.264 32.600 0.317 0.000 1.687 276 M HN 1.164 nan 8.290 nan 0.000 0.455 277 G N 1.698 110.641 108.800 0.239 0.000 2.698 277 G HA2 -0.241 3.720 3.960 0.002 0.000 0.225 277 G HA3 -0.241 3.720 3.960 0.002 0.000 0.225 277 G C 0.283 175.328 174.900 0.242 0.000 1.345 277 G CA 0.185 45.445 45.100 0.267 0.000 0.871 277 G HN 1.426 nan 8.290 nan 0.000 0.540 278 S N -0.563 115.289 115.700 0.253 0.000 2.440 278 S HA -0.168 4.303 4.470 0.002 0.000 0.240 278 S C 2.649 177.391 174.600 0.237 0.000 1.014 278 S CA 2.676 61.011 58.200 0.224 0.000 0.980 278 S CB -0.722 62.613 63.200 0.225 0.000 0.775 278 S HN 2.371 nan 8.310 nan 0.000 0.499 279 S N 0.901 116.759 115.700 0.264 0.000 2.400 279 S HA -0.151 4.320 4.470 0.002 0.000 0.232 279 S C 1.978 176.718 174.600 0.233 0.000 1.025 279 S CA 1.022 59.382 58.200 0.267 0.000 0.993 279 S CB -1.564 61.615 63.200 -0.034 0.000 0.808 279 S HN 0.693 nan 8.310 nan 0.000 0.478 280 C N 1.940 121.353 119.300 0.188 0.000 2.413 280 C HA -0.028 4.434 4.460 0.002 0.000 0.277 280 C C 3.000 178.083 174.990 0.155 0.000 1.265 280 C CA 0.843 59.960 59.018 0.164 0.000 1.752 280 C CB -1.241 26.592 27.740 0.155 0.000 1.998 280 C HN 0.599 nan 8.230 nan 0.000 0.489 281 E N 0.421 120.716 120.200 0.158 0.000 2.031 281 E HA -0.143 4.208 4.350 0.002 0.000 0.193 281 E C 2.252 178.941 176.600 0.149 0.000 0.994 281 E CA 1.669 58.149 56.400 0.132 0.000 0.800 281 E CB -0.837 28.934 29.700 0.118 0.000 0.752 281 E HN 0.582 nan 8.360 nan 0.000 0.447 282 T N 1.790 116.463 114.554 0.198 0.000 2.746 282 T HA -0.107 4.244 4.350 0.002 0.000 0.267 282 T C 2.131 176.921 174.700 0.149 0.000 1.039 282 T CA 0.963 63.194 62.100 0.218 0.000 1.142 282 T CB -0.231 68.797 68.868 0.266 0.000 0.866 282 T HN 0.090 nan 8.240 nan 0.000 0.444 283 I N 0.793 121.466 120.570 0.172 0.000 2.226 283 I HA -0.161 4.010 4.170 0.002 0.000 0.245 283 I C 2.702 178.913 176.117 0.156 0.000 1.100 283 I CA 1.358 62.761 61.300 0.172 0.000 1.374 283 I CB -0.304 37.815 38.000 0.199 0.000 1.057 283 I HN 0.314 nan 8.210 nan 0.000 0.413 284 E N 0.949 121.223 120.200 0.122 0.000 2.110 284 E HA -0.297 4.054 4.350 0.002 0.000 0.193 284 E C 2.123 178.772 176.600 0.081 0.000 0.988 284 E CA 1.309 57.757 56.400 0.081 0.000 0.804 284 E CB -0.012 29.721 29.700 0.055 0.000 0.745 284 E HN 0.468 nan 8.360 nan 0.000 0.458 285 E N -0.133 120.127 120.200 0.099 0.000 2.077 285 E HA -0.167 4.184 4.350 0.002 0.000 0.193 285 E C 2.017 178.690 176.600 0.122 0.000 0.989 285 E CA 1.311 57.772 56.400 0.102 0.000 0.800 285 E CB 0.185 29.962 29.700 0.129 0.000 0.746 285 E HN 0.183 nan 8.360 nan 0.000 0.452 286 V N 1.188 121.181 119.914 0.132 0.000 2.453 286 V HA -0.223 3.898 4.120 0.002 0.000 0.247 286 V C 2.321 178.513 176.094 0.163 0.000 1.048 286 V CA 1.291 63.696 62.300 0.174 0.000 1.049 286 V CB -0.335 31.585 31.823 0.162 0.000 0.672 286 V HN 0.321 nan 8.190 nan 0.000 0.457 287 I N 0.470 121.101 120.570 0.102 0.000 2.142 287 I HA -0.231 3.940 4.170 0.002 0.000 0.240 287 I C 2.442 178.578 176.117 0.031 0.000 1.078 287 I CA 1.491 62.801 61.300 0.017 0.000 1.343 287 I CB -0.577 37.423 38.000 0.001 0.000 1.046 287 I HN 0.342 nan 8.210 nan 0.000 0.405 288 N N 0.114 118.846 118.700 0.053 0.000 2.091 288 N HA -0.280 4.461 4.740 0.002 0.000 0.193 288 N C 1.829 177.376 175.510 0.062 0.000 1.021 288 N CA 1.511 54.587 53.050 0.044 0.000 0.862 288 N CB -0.781 37.734 38.487 0.047 0.000 1.018 288 N HN 0.496 nan 8.380 nan 0.000 0.429 289 H N 0.262 119.341 119.070 0.014 0.000 2.299 289 H HA -0.026 4.532 4.556 0.002 0.000 0.302 289 H C 1.665 177.003 175.328 0.016 0.000 1.078 289 H CA 1.076 57.132 56.048 0.014 0.000 1.323 289 H CB 0.008 29.785 29.762 0.025 0.000 1.381 289 H HN 0.027 nan 8.280 nan 0.000 0.498 290 L N 0.943 122.224 121.223 0.097 0.000 2.156 290 L HA -0.003 4.338 4.340 0.002 0.000 0.208 290 L C 2.949 179.779 176.870 -0.067 0.000 1.095 290 L CA 1.469 56.317 54.840 0.013 0.000 0.770 290 L CB -1.166 40.910 42.059 0.028 0.000 0.914 290 L HN 0.319 nan 8.230 nan 0.000 0.439 291 A N -0.635 122.149 122.820 -0.060 0.000 1.930 291 A HA -0.110 4.211 4.320 0.002 0.000 0.217 291 A C 2.474 180.023 177.584 -0.059 0.000 1.175 291 A CA 1.457 53.461 52.037 -0.055 0.000 0.627 291 A CB -0.771 18.207 19.000 -0.036 0.000 0.815 291 A HN 0.358 nan 8.150 nan 0.000 0.443 292 A N -0.256 122.516 122.820 -0.080 0.000 2.024 292 A HA -0.148 4.173 4.320 0.002 0.000 0.220 292 A C 1.824 179.350 177.584 -0.096 0.000 1.164 292 A CA 1.672 53.655 52.037 -0.089 0.000 0.643 292 A CB -0.339 18.587 19.000 -0.124 0.000 0.806 292 A HN 0.517 nan 8.150 nan 0.000 0.451 293 K N -1.279 119.053 120.400 -0.112 0.000 2.500 293 K HA 0.296 4.618 4.320 0.002 0.000 0.206 293 K C 0.883 177.453 176.600 -0.051 0.000 1.034 293 K CA 0.362 56.598 56.287 -0.086 0.000 1.179 293 K CB -0.056 32.385 32.500 -0.098 0.000 0.884 293 K HN 0.589 nan 8.250 nan 0.000 0.493 294 G N 1.598 110.371 108.800 -0.044 0.000 2.162 294 G HA2 -0.279 3.682 3.960 0.002 0.000 0.260 294 G HA3 -0.279 3.682 3.960 0.002 0.000 0.260 294 G C -0.237 174.646 174.900 -0.028 0.000 0.976 294 G CA -0.026 45.057 45.100 -0.029 0.000 0.655 294 G HN 0.410 nan 8.290 nan 0.000 0.533 295 E N 0.500 120.675 120.200 -0.042 0.000 2.354 295 E HA 0.272 4.623 4.350 0.002 0.000 0.269 295 E C 0.068 176.637 176.600 -0.053 0.000 1.036 295 E CA -0.287 56.082 56.400 -0.052 0.000 0.876 295 E CB 0.533 30.182 29.700 -0.085 0.000 1.009 295 E HN 0.018 nan 8.360 nan 0.000 0.416 296 K N 3.930 124.310 120.400 -0.033 0.000 2.265 296 K HA 0.292 4.613 4.320 0.002 0.000 0.242 296 K C 0.021 176.619 176.600 -0.003 0.000 1.137 296 K CA -0.072 56.212 56.287 -0.003 0.000 1.082 296 K CB -0.709 31.804 32.500 0.021 0.000 1.731 296 K HN 0.457 nan 8.250 nan 0.000 0.392 297 I N -2.765 117.773 120.570 -0.053 0.000 2.785 297 I HA 0.845 5.016 4.170 0.002 0.000 0.302 297 I C -0.013 176.124 176.117 0.033 0.000 1.069 297 I CA -1.151 60.103 61.300 -0.076 0.000 1.045 297 I CB 2.600 40.272 38.000 -0.546 0.000 1.236 297 I HN 0.232 nan 8.210 nan 0.000 0.429 298 G N 3.011 111.920 108.800 0.182 0.000 2.727 298 G HA2 0.702 4.663 3.960 0.002 0.000 0.289 298 G HA3 0.702 4.663 3.960 0.002 0.000 0.289 298 G C -2.193 172.807 174.900 0.167 0.000 1.418 298 G CA -0.761 44.417 45.100 0.131 0.000 0.818 298 G HN 0.740 nan 8.290 nan 0.000 0.486 299 L N -0.375 120.779 121.223 -0.115 0.000 2.455 299 L HA 0.742 5.083 4.340 0.002 0.000 0.264 299 L C -1.358 175.524 176.870 0.019 0.000 0.968 299 L CA -0.685 54.179 54.840 0.040 0.000 0.827 299 L CB 1.908 43.998 42.059 0.051 0.000 1.317 299 L HN 0.480 nan 8.230 nan 0.000 0.407 300 I N 4.580 125.273 120.570 0.205 0.000 2.330 300 I HA 0.362 4.533 4.170 0.002 0.000 0.289 300 I C -0.289 175.995 176.117 0.279 0.000 1.001 300 I CA -0.634 60.823 61.300 0.261 0.000 1.193 300 I CB 1.199 39.347 38.000 0.248 0.000 1.345 300 I HN 0.561 nan 8.210 nan 0.000 0.461 301 K N 5.717 126.262 120.400 0.241 0.000 2.227 301 K HA 0.422 4.743 4.320 0.002 0.000 0.280 301 K C -0.756 175.985 176.600 0.235 0.000 1.041 301 K CA -0.595 55.824 56.287 0.220 0.000 0.905 301 K CB 1.878 34.476 32.500 0.162 0.000 1.068 301 K HN 0.302 nan 8.250 nan 0.000 0.470 302 V N 4.890 124.939 119.914 0.225 0.000 2.408 302 V HA 0.112 4.233 4.120 0.002 0.000 0.267 302 V C 0.817 176.875 176.094 -0.059 0.000 1.047 302 V CA -0.192 62.147 62.300 0.065 0.000 0.937 302 V CB 0.976 32.973 31.823 0.290 0.000 0.999 302 V HN 0.707 nan 8.190 nan 0.000 0.472 303 R N 3.329 123.687 120.500 -0.236 0.000 2.064 303 R HA 0.316 4.657 4.340 0.002 0.000 0.210 303 R C 0.279 176.505 176.300 -0.125 0.000 1.221 303 R CA 0.128 56.144 56.100 -0.139 0.000 1.055 303 R CB -0.192 30.048 30.300 -0.100 0.000 0.946 303 R HN 0.546 nan 8.270 nan 0.000 0.459 304 L N 1.466 122.549 121.223 -0.233 0.000 2.268 304 L HA 0.201 4.542 4.340 0.002 0.000 0.289 304 L C 0.154 176.974 176.870 -0.084 0.000 1.064 304 L CA -0.136 54.644 54.840 -0.099 0.000 0.824 304 L CB 0.781 42.790 42.059 -0.083 0.000 1.202 304 L HN 0.229 nan 8.230 nan 0.000 0.433 305 Y N 4.963 125.290 120.300 0.045 0.000 2.448 305 Y HA 0.323 4.874 4.550 0.002 0.000 0.289 305 Y C 0.321 176.379 175.900 0.264 0.000 1.114 305 Y CA 0.458 58.690 58.100 0.219 0.000 1.235 305 Y CB 0.342 38.968 38.460 0.278 0.000 1.045 305 Y HN 0.421 nan 8.280 nan 0.000 0.554 306 R N 0.562 121.079 120.500 0.028 0.000 2.510 306 R HA 0.326 4.667 4.340 0.002 0.000 0.287 306 R C -3.094 173.192 176.300 -0.023 0.000 1.084 306 R CA -2.270 53.810 56.100 -0.034 0.000 0.934 306 R CB 1.484 31.779 30.300 -0.009 0.000 1.201 306 R HN -0.018 nan 8.270 nan 0.000 0.431 307 P HA 0.127 nan 4.420 nan 0.000 0.271 307 P C -0.606 176.745 177.300 0.086 0.000 1.218 307 P CA -0.240 62.900 63.100 0.066 0.000 0.780 307 P CB 0.389 32.157 31.700 0.114 0.000 0.901 308 F N 3.537 123.451 119.950 -0.059 0.000 2.375 308 F HA 0.246 4.774 4.527 0.002 0.000 0.362 308 F C -0.397 175.458 175.800 0.093 0.000 1.129 308 F CA -0.368 57.639 58.000 0.011 0.000 1.154 308 F CB 0.335 39.268 39.000 -0.111 0.000 1.205 308 F HN -0.053 nan 8.300 nan 0.000 0.513 309 V N 7.014 126.923 119.914 -0.008 0.000 2.320 309 V HA 0.059 4.180 4.120 0.002 0.000 0.265 309 V C 0.991 177.030 176.094 -0.091 0.000 1.048 309 V CA 0.327 62.653 62.300 0.043 0.000 0.865 309 V CB 0.366 32.252 31.823 0.104 0.000 1.043 309 V HN 0.938 nan 8.190 nan 0.000 0.474 310 S N 2.984 118.681 115.700 -0.005 0.000 2.370 310 S HA -0.271 4.200 4.470 0.002 0.000 0.226 310 S C 1.692 176.317 174.600 0.042 0.000 1.033 310 S CA 1.652 59.831 58.200 -0.034 0.000 1.011 310 S CB -0.288 63.002 63.200 0.150 0.000 0.852 310 S HN 0.827 nan 8.310 nan 0.000 0.457 311 E N 1.859 122.128 120.200 0.114 0.000 2.085 311 E HA -0.167 4.184 4.350 0.002 0.000 0.194 311 E C 2.076 178.722 176.600 0.076 0.000 0.994 311 E CA 1.197 57.681 56.400 0.140 0.000 0.801 311 E CB -0.572 29.185 29.700 0.095 0.000 0.743 311 E HN 0.705 nan 8.360 nan 0.000 0.453 312 A N 0.142 122.983 122.820 0.035 0.000 2.014 312 A HA -0.088 4.233 4.320 0.002 0.000 0.218 312 A C 1.905 179.401 177.584 -0.147 0.000 1.163 312 A CA 0.879 52.956 52.037 0.066 0.000 0.652 312 A CB -0.689 18.464 19.000 0.255 0.000 0.808 312 A HN 0.518 nan 8.150 nan 0.000 0.449 313 F N -0.335 119.158 119.950 -0.762 0.000 2.113 313 F HA -0.081 4.447 4.527 0.002 0.000 0.297 313 F C 1.816 177.220 175.800 -0.659 0.000 1.103 313 F CA 1.551 58.794 58.000 -1.261 0.000 1.248 313 F CB -0.387 37.700 39.000 -1.523 0.000 0.999 313 F HN 0.215 nan 8.300 nan 0.000 0.475 314 F N 0.365 120.162 119.950 -0.256 0.000 2.293 314 F HA -0.060 4.468 4.527 0.002 0.000 0.300 314 F C 2.476 178.141 175.800 -0.226 0.000 1.086 314 F CA 0.734 58.583 58.000 -0.251 0.000 1.375 314 F CB -0.803 38.126 39.000 -0.119 0.000 1.045 314 F HN 0.074 nan 8.300 nan 0.000 0.516 315 A N -0.335 122.474 122.820 -0.019 0.000 2.216 315 A HA 0.140 4.461 4.320 0.002 0.000 0.214 315 A C 2.043 179.585 177.584 -0.071 0.000 1.160 315 A CA 1.364 53.392 52.037 -0.016 0.000 0.725 315 A CB -0.756 18.255 19.000 0.019 0.000 0.784 315 A HN 0.289 nan 8.150 nan 0.000 0.472 316 A N -1.420 121.298 122.820 -0.172 0.000 2.382 316 A HA 0.471 4.792 4.320 0.002 0.000 0.228 316 A C 0.650 178.060 177.584 -0.291 0.000 1.217 316 A CA -0.203 51.745 52.037 -0.149 0.000 0.923 316 A CB 0.070 19.042 19.000 -0.048 0.000 0.979 316 A HN 0.387 nan 8.150 nan 0.000 0.515 317 L N 1.971 122.981 121.223 -0.354 0.000 2.290 317 L HA 0.372 4.713 4.340 0.002 0.000 0.284 317 L C -2.733 173.993 176.870 -0.240 0.000 1.078 317 L CA -1.768 52.894 54.840 -0.297 0.000 0.815 317 L CB 1.492 43.414 42.059 -0.228 0.000 1.162 317 L HN 0.034 nan 8.230 nan 0.000 0.435 318 P HA 0.122 nan 4.420 nan 0.000 0.276 318 P C 0.133 177.394 177.300 -0.065 0.000 1.230 318 P CA -0.187 62.767 63.100 -0.243 0.000 0.776 318 P CB 1.142 32.678 31.700 -0.274 0.000 0.888 319 A N 2.666 125.462 122.820 -0.041 0.000 2.070 319 A HA -0.158 4.163 4.320 0.002 0.000 0.220 319 A C 1.938 179.538 177.584 0.028 0.000 1.159 319 A CA 1.966 54.009 52.037 0.009 0.000 0.656 319 A CB -1.274 17.724 19.000 -0.002 0.000 0.800 319 A HN 0.588 nan 8.150 nan 0.000 0.453 320 S N -0.149 115.560 115.700 0.014 0.000 2.489 320 S HA 0.372 4.843 4.470 0.002 0.000 0.228 320 S C 1.067 175.699 174.600 0.054 0.000 0.995 320 S CA 0.309 58.528 58.200 0.031 0.000 0.934 320 S CB -0.686 62.529 63.200 0.024 0.000 0.771 320 S HN 0.968 nan 8.310 nan 0.000 0.522 321 A N 2.087 124.949 122.820 0.070 0.000 2.553 321 A HA 0.250 4.571 4.320 0.002 0.000 0.258 321 A C 1.238 178.881 177.584 0.097 0.000 1.069 321 A CA -0.204 51.895 52.037 0.104 0.000 0.767 321 A CB 0.178 19.261 19.000 0.139 0.000 0.997 321 A HN 0.240 nan 8.150 nan 0.000 0.512 322 K N 1.542 121.992 120.400 0.083 0.000 2.276 322 K HA 0.199 4.520 4.320 0.002 0.000 0.198 322 K C -0.055 176.575 176.600 0.050 0.000 1.052 322 K CA 0.786 57.109 56.287 0.060 0.000 0.984 322 K CB 0.416 32.946 32.500 0.050 0.000 0.836 322 K HN 0.506 nan 8.250 nan 0.000 0.490 323 V N 2.169 122.127 119.914 0.074 0.000 2.709 323 V HA 0.468 4.589 4.120 0.002 0.000 0.308 323 V C -0.508 175.651 176.094 0.108 0.000 1.062 323 V CA -0.838 61.503 62.300 0.069 0.000 0.901 323 V CB 2.404 34.271 31.823 0.073 0.000 1.003 323 V HN -0.031 nan 8.190 nan 0.000 0.425 324 I N 2.638 123.265 120.570 0.095 0.000 2.498 324 I HA 0.500 4.671 4.170 0.002 0.000 0.290 324 I C -0.270 175.936 176.117 0.148 0.000 1.032 324 I CA -0.276 61.118 61.300 0.156 0.000 1.073 324 I CB 2.472 40.593 38.000 0.202 0.000 1.251 324 I HN 0.512 nan 8.210 nan 0.000 0.426 325 T N 5.404 120.052 114.554 0.156 0.000 2.779 325 T HA 0.432 4.783 4.350 0.002 0.000 0.280 325 T C -0.273 174.523 174.700 0.160 0.000 0.987 325 T CA -0.429 61.756 62.100 0.143 0.000 0.966 325 T CB 1.645 70.593 68.868 0.134 0.000 0.933 325 T HN 0.171 nan 8.240 nan 0.000 0.442 326 V N 5.575 125.589 119.914 0.167 0.000 2.350 326 V HA 0.386 4.507 4.120 0.002 0.000 0.276 326 V C -0.017 176.143 176.094 0.109 0.000 1.028 326 V CA -0.770 61.654 62.300 0.207 0.000 0.860 326 V CB 0.945 32.956 31.823 0.315 0.000 0.990 326 V HN 0.731 nan 8.190 nan 0.000 0.453 327 L N 4.893 126.187 121.223 0.118 0.000 2.264 327 L HA 0.524 4.865 4.340 0.002 0.000 0.289 327 L C -0.131 176.899 176.870 0.267 0.000 1.044 327 L CA -0.155 54.741 54.840 0.094 0.000 0.807 327 L CB 0.975 42.962 42.059 -0.121 0.000 1.192 327 L HN 0.572 nan 8.230 nan 0.000 0.425 328 D N 3.141 123.675 120.400 0.223 0.000 2.278 328 D HA 0.185 4.826 4.640 0.002 0.000 0.245 328 D C -0.129 176.198 176.300 0.044 0.000 1.052 328 D CA -0.478 53.652 54.000 0.217 0.000 0.834 328 D CB 2.376 43.221 40.800 0.075 0.000 1.194 328 D HN 0.373 nan 8.370 nan 0.000 0.481 329 R N 1.851 122.303 120.500 -0.080 0.000 4.306 329 R HA 0.199 4.540 4.340 0.002 0.000 0.266 329 R C -0.377 175.778 176.300 -0.242 0.000 1.624 329 R CA 0.042 55.769 56.100 -0.623 0.000 1.487 329 R CB 0.098 29.743 30.300 -1.091 0.000 1.441 329 R HN 0.379 nan 8.270 nan 0.000 0.750 330 T N -0.794 113.713 114.554 -0.080 0.000 2.661 330 T HA 0.258 4.609 4.350 0.002 0.000 0.305 330 T C -2.051 172.623 174.700 -0.043 0.000 1.441 330 T CA -0.745 61.359 62.100 0.007 0.000 0.999 330 T CB 1.399 70.391 68.868 0.207 0.000 1.650 330 T HN 0.223 nan 8.240 nan 0.000 0.489 331 K N 1.869 122.251 120.400 -0.030 0.000 2.652 331 K HA 0.344 4.665 4.320 0.002 0.000 0.249 331 K C -1.431 175.144 176.600 -0.041 0.000 0.986 331 K CA -0.381 55.878 56.287 -0.047 0.000 0.867 331 K CB 1.246 33.724 32.500 -0.036 0.000 1.201 331 K HN 0.628 nan 8.250 nan 0.000 0.450 332 E N 5.165 125.327 120.200 -0.063 0.000 2.070 332 E HA 0.227 4.578 4.350 0.002 0.000 0.261 332 E C -2.449 174.121 176.600 -0.051 0.000 0.926 332 E CA -2.028 54.339 56.400 -0.055 0.000 0.760 332 E CB 1.192 30.846 29.700 -0.076 0.000 1.133 332 E HN 0.361 nan 8.360 nan 0.000 0.420 333 P HA -0.053 nan 4.420 nan 0.000 0.261 333 P C 0.893 178.170 177.300 -0.038 0.000 1.183 333 P CA 0.790 63.870 63.100 -0.034 0.000 0.761 333 P CB 0.517 32.207 31.700 -0.016 0.000 0.785 334 G N 1.915 110.685 108.800 -0.050 0.000 2.205 334 G HA2 -0.213 3.748 3.960 0.002 0.000 0.261 334 G HA3 -0.213 3.748 3.960 0.002 0.000 0.261 334 G C 0.477 175.344 174.900 -0.055 0.000 0.980 334 G CA 0.035 45.106 45.100 -0.049 0.000 0.632 334 G HN 0.879 nan 8.290 nan 0.000 0.533 335 A N 0.935 123.718 122.820 -0.061 0.000 2.407 335 A HA 0.670 4.991 4.320 0.002 0.000 0.248 335 A C 0.136 177.676 177.584 -0.073 0.000 1.082 335 A CA -0.181 51.823 52.037 -0.056 0.000 0.785 335 A CB 0.495 19.462 19.000 -0.055 0.000 1.020 335 A HN 0.214 nan 8.150 nan 0.000 0.489 336 P HA 0.131 nan 4.420 nan 0.000 0.233 336 P C 0.519 177.820 177.300 0.001 0.000 1.167 336 P CA 1.357 64.434 63.100 -0.039 0.000 0.770 336 P CB 0.198 31.910 31.700 0.020 0.000 0.837 337 G N -0.801 108.026 108.800 0.046 0.000 2.489 337 G HA2 0.215 4.176 3.960 0.002 0.000 0.291 337 G HA3 0.215 4.176 3.960 0.002 0.000 0.291 337 G C -1.907 173.041 174.900 0.080 0.000 1.487 337 G CA -0.606 44.589 45.100 0.158 0.000 0.795 337 G HN -0.216 nan 8.290 nan 0.000 0.513 338 D N 0.640 121.067 120.400 0.045 0.000 2.358 338 D HA 0.316 4.957 4.640 0.002 0.000 0.244 338 D C -1.225 175.020 176.300 -0.092 0.000 1.163 338 D CA -1.280 52.672 54.000 -0.079 0.000 0.945 338 D CB 1.620 42.349 40.800 -0.119 0.000 1.152 338 D HN -0.001 nan 8.370 nan 0.000 0.451 339 P HA -0.184 nan 4.420 nan 0.000 0.215 339 P C 1.570 178.842 177.300 -0.047 0.000 1.163 339 P CA 0.797 63.715 63.100 -0.303 0.000 0.894 339 P CB 0.172 31.405 31.700 -0.778 0.000 0.791 340 L N -1.850 119.401 121.223 0.046 0.000 2.046 340 L HA -0.170 4.171 4.340 0.002 0.000 0.208 340 L C 2.446 179.399 176.870 0.139 0.000 1.077 340 L CA 1.716 56.713 54.840 0.261 0.000 0.747 340 L CB -1.700 40.588 42.059 0.382 0.000 0.896 340 L HN -0.076 nan 8.230 nan 0.000 0.432 341 Y N -0.639 119.669 120.300 0.012 0.000 2.097 341 Y HA -0.285 4.266 4.550 0.002 0.000 0.282 341 Y C 2.247 178.120 175.900 -0.046 0.000 1.152 341 Y CA 1.931 60.029 58.100 -0.004 0.000 1.136 341 Y CB -0.501 37.953 38.460 -0.010 0.000 0.975 341 Y HN 0.175 nan 8.280 nan 0.000 0.498 342 L N 0.753 121.885 121.223 -0.152 0.000 2.079 342 L HA -0.231 4.110 4.340 0.002 0.000 0.210 342 L C 2.068 178.744 176.870 -0.324 0.000 1.081 342 L CA 1.930 56.608 54.840 -0.269 0.000 0.752 342 L CB -1.210 40.773 42.059 -0.127 0.000 0.896 342 L HN 0.277 nan 8.230 nan 0.000 0.433 343 D N -1.066 119.116 120.400 -0.364 0.000 2.117 343 D HA -0.122 4.519 4.640 0.002 0.000 0.198 343 D C 2.383 178.277 176.300 -0.676 0.000 0.982 343 D CA 1.135 54.723 54.000 -0.687 0.000 0.828 343 D CB -0.190 39.909 40.800 -1.168 0.000 0.967 343 D HN 0.147 nan 8.370 nan 0.000 0.464 344 V N 0.697 120.335 119.914 -0.461 0.000 2.358 344 V HA -0.252 3.869 4.120 0.002 0.000 0.246 344 V C 2.743 178.759 176.094 -0.131 0.000 1.047 344 V CA 1.168 63.256 62.300 -0.352 0.000 1.035 344 V CB -0.598 31.151 31.823 -0.124 0.000 0.658 344 V HN 0.275 nan 8.190 nan 0.000 0.452 345 C N 0.833 120.003 119.300 -0.216 0.000 2.398 345 C HA -0.183 4.278 4.460 0.002 0.000 0.276 345 C C 3.330 178.304 174.990 -0.027 0.000 1.222 345 C CA 1.742 60.680 59.018 -0.134 0.000 1.746 345 C CB -1.148 26.359 27.740 -0.388 0.000 2.039 345 C HN 0.785 nan 8.230 nan 0.000 0.470 346 S N 1.491 117.112 115.700 -0.132 0.000 2.399 346 S HA -0.105 4.366 4.470 0.002 0.000 0.231 346 S C 1.911 176.501 174.600 -0.017 0.000 1.022 346 S CA 1.498 59.650 58.200 -0.080 0.000 0.983 346 S CB -0.476 62.643 63.200 -0.135 0.000 0.803 346 S HN 0.635 nan 8.310 nan 0.000 0.480 347 A N 1.124 123.902 122.820 -0.071 0.000 1.877 347 A HA 0.115 4.436 4.320 0.002 0.000 0.216 347 A C 1.915 179.594 177.584 0.157 0.000 1.186 347 A CA 1.402 53.418 52.037 -0.035 0.000 0.620 347 A CB -1.107 17.632 19.000 -0.435 0.000 0.822 347 A HN 0.568 nan 8.150 nan 0.000 0.443 348 F N -0.290 119.803 119.950 0.237 0.000 2.146 348 F HA -0.119 4.409 4.527 0.002 0.000 0.298 348 F C 2.433 178.307 175.800 0.122 0.000 1.096 348 F CA 1.382 59.543 58.000 0.269 0.000 1.275 348 F CB -0.433 38.677 39.000 0.183 0.000 1.008 348 F HN 0.020 nan 8.300 nan 0.000 0.480 349 V N 0.116 120.171 119.914 0.235 0.000 2.343 349 V HA -0.275 3.846 4.120 0.002 0.000 0.247 349 V C 2.056 178.201 176.094 0.085 0.000 1.051 349 V CA 2.034 64.409 62.300 0.125 0.000 1.036 349 V CB -0.596 31.268 31.823 0.068 0.000 0.654 349 V HN 0.358 nan 8.190 nan 0.000 0.451 350 E N -0.280 119.967 120.200 0.078 0.000 2.152 350 E HA -0.198 4.153 4.350 0.002 0.000 0.192 350 E C 2.382 178.997 176.600 0.025 0.000 0.983 350 E CA 0.694 57.124 56.400 0.049 0.000 0.818 350 E CB -0.163 29.569 29.700 0.053 0.000 0.758 350 E HN 0.470 nan 8.360 nan 0.000 0.467 351 R N 0.158 120.665 120.500 0.012 0.000 2.081 351 R HA -0.138 4.203 4.340 0.002 0.000 0.235 351 R C 1.578 177.844 176.300 -0.058 0.000 1.131 351 R CA 1.531 57.566 56.100 -0.108 0.000 0.960 351 R CB -0.188 29.914 30.300 -0.331 0.000 0.856 351 R HN 0.316 nan 8.270 nan 0.000 0.436 352 G N -0.415 108.388 108.800 0.006 0.000 2.212 352 G HA2 -0.330 3.631 3.960 0.002 0.000 0.266 352 G HA3 -0.330 3.631 3.960 0.002 0.000 0.266 352 G C 0.136 175.044 174.900 0.012 0.000 0.978 352 G CA 0.872 45.981 45.100 0.015 0.000 0.632 352 G HN 0.513 nan 8.290 nan 0.000 0.537 353 E N 0.442 120.640 120.200 -0.002 0.000 3.788 353 E HA 0.637 4.988 4.350 0.002 0.000 0.520 353 E C 1.450 178.081 176.600 0.052 0.000 0.441 353 E CA -0.380 56.021 56.400 0.002 0.000 3.107 353 E CB 0.065 29.739 29.700 -0.044 0.000 2.281 353 E HN 0.756 nan 8.360 nan 0.000 0.492 354 A N 0.978 123.836 122.820 0.063 0.000 2.561 354 A HA 0.089 4.410 4.320 0.002 0.000 0.234 354 A C -0.172 177.503 177.584 0.152 0.000 1.055 354 A CA 0.608 52.700 52.037 0.093 0.000 0.756 354 A CB 0.025 19.083 19.000 0.097 0.000 0.986 354 A HN 0.296 nan 8.150 nan 0.000 0.505 355 M N 4.444 124.095 119.600 0.084 0.000 1.987 355 M HA 0.269 4.750 4.480 0.002 0.000 0.298 355 M C -2.259 174.007 176.300 -0.056 0.000 0.892 355 M CA -1.855 53.462 55.300 0.027 0.000 0.885 355 M CB 0.584 33.198 32.600 0.023 0.000 1.469 355 M HN 0.600 nan 8.290 nan 0.000 0.389 356 P HA 0.261 nan 4.420 nan 0.000 0.275 356 P C -0.555 176.654 177.300 -0.152 0.000 1.266 356 P CA -0.497 62.540 63.100 -0.105 0.000 0.793 356 P CB 1.073 32.728 31.700 -0.076 0.000 1.074 357 K N 0.887 121.243 120.400 -0.073 0.000 2.379 357 K HA 0.212 4.533 4.320 0.002 0.000 0.284 357 K C -0.280 176.282 176.600 -0.064 0.000 1.044 357 K CA -0.007 56.248 56.287 -0.053 0.000 0.974 357 K CB -0.282 32.214 32.500 -0.007 0.000 0.962 357 K HN 0.242 nan 8.250 nan 0.000 0.474 358 I N 5.982 126.517 120.570 -0.058 0.000 2.336 358 I HA 0.278 4.449 4.170 0.002 0.000 0.292 358 I C -0.686 175.487 176.117 0.094 0.000 0.991 358 I CA -0.929 60.376 61.300 0.008 0.000 1.227 358 I CB 0.803 38.799 38.000 -0.006 0.000 1.366 358 I HN 0.497 nan 8.210 nan 0.000 0.466 359 L N 5.227 126.506 121.223 0.092 0.000 2.346 359 L HA 0.711 5.052 4.340 0.002 0.000 0.274 359 L C 0.156 176.956 176.870 -0.116 0.000 1.007 359 L CA -0.669 54.168 54.840 -0.004 0.000 0.818 359 L CB 1.797 43.906 42.059 0.083 0.000 1.284 359 L HN 0.704 nan 8.230 nan 0.000 0.424 360 A N 1.800 124.315 122.820 -0.507 0.000 2.288 360 A HA 0.868 5.190 4.320 0.002 0.000 0.320 360 A C -0.022 177.048 177.584 -0.858 0.000 1.217 360 A CA -0.065 51.540 52.037 -0.720 0.000 0.840 360 A CB 0.921 19.126 19.000 -1.324 0.000 1.179 360 A HN 0.754 nan 8.150 nan 0.000 0.504 361 G N 1.079 109.390 108.800 -0.814 0.000 2.591 361 G HA2 0.574 4.535 3.960 0.002 0.000 0.306 361 G HA3 0.574 4.535 3.960 0.002 0.000 0.306 361 G C -0.790 173.826 174.900 -0.473 0.000 1.334 361 G CA -0.703 43.576 45.100 -1.369 0.000 0.981 361 G HN 0.861 nan 8.290 nan 0.000 0.491 362 R N 0.773 121.081 120.500 -0.320 0.000 2.393 362 R HA 0.699 5.040 4.340 0.002 0.000 0.310 362 R C -1.031 175.339 176.300 0.117 0.000 0.968 362 R CA -0.725 55.340 56.100 -0.058 0.000 0.867 362 R CB 1.116 31.365 30.300 -0.086 0.000 1.124 362 R HN 0.720 nan 8.270 nan 0.000 0.450 363 Y N 0.404 120.635 120.300 -0.114 0.000 2.728 363 Y HA 0.535 5.086 4.550 0.002 0.000 0.330 363 Y C 0.600 176.424 175.900 -0.126 0.000 1.234 363 Y CA -1.055 56.986 58.100 -0.099 0.000 1.070 363 Y CB 0.425 38.708 38.460 -0.295 0.000 1.300 363 Y HN 0.695 nan 8.280 nan 0.000 0.467 364 G N 0.787 109.485 108.800 -0.170 0.000 2.280 364 G HA2 -0.287 3.675 3.960 0.002 0.000 0.282 364 G HA3 -0.287 3.675 3.960 0.002 0.000 0.282 364 G C -0.131 174.622 174.900 -0.244 0.000 1.000 364 G CA 0.576 45.533 45.100 -0.238 0.000 0.751 364 G HN 0.737 nan 8.290 nan 0.000 0.515 365 L N -0.292 120.819 121.223 -0.187 0.000 2.490 365 L HA 0.364 4.705 4.340 0.002 0.000 0.274 365 L C 1.769 178.616 176.870 -0.039 0.000 1.201 365 L CA 0.880 55.650 54.840 -0.116 0.000 0.869 365 L CB 0.258 42.273 42.059 -0.073 0.000 1.123 365 L HN 0.800 nan 8.230 nan 0.000 0.484 366 G N 2.492 111.299 108.800 0.012 0.000 2.356 366 G HA2 -0.322 3.639 3.960 0.002 0.000 0.296 366 G HA3 -0.322 3.639 3.960 0.002 0.000 0.296 366 G C 0.668 175.612 174.900 0.073 0.000 1.022 366 G CA 0.502 45.661 45.100 0.098 0.000 0.961 366 G HN 0.791 nan 8.290 nan 0.000 0.510 367 S N -2.413 113.334 115.700 0.079 0.000 3.476 367 S HA -0.244 4.228 4.470 0.002 0.000 0.309 367 S C 1.121 175.700 174.600 -0.035 0.000 1.222 367 S CA 1.942 60.174 58.200 0.053 0.000 0.922 367 S CB -0.663 62.581 63.200 0.074 0.000 1.023 367 S HN 1.575 nan 8.310 nan 0.000 0.591 368 K N 2.449 122.834 120.400 -0.026 0.000 2.485 368 K HA 0.081 4.402 4.320 0.002 0.000 0.277 368 K C 0.248 176.885 176.600 0.060 0.000 0.990 368 K CA 0.344 56.627 56.287 -0.006 0.000 0.994 368 K CB 0.415 32.927 32.500 0.020 0.000 0.906 368 K HN 0.114 nan 8.250 nan 0.000 0.488 369 E N 2.605 122.833 120.200 0.047 0.000 2.467 369 E HA -0.072 4.279 4.350 0.002 0.000 0.264 369 E C -0.794 175.939 176.600 0.222 0.000 1.020 369 E CA 0.584 57.036 56.400 0.086 0.000 0.945 369 E CB 0.171 29.889 29.700 0.030 0.000 0.942 369 E HN 0.549 nan 8.360 nan 0.000 0.449 370 F N 2.531 122.522 119.950 0.067 0.000 2.691 370 F HA 0.134 4.662 4.527 0.002 0.000 0.371 370 F C 0.090 175.888 175.800 -0.003 0.000 1.159 370 F CA -0.441 57.605 58.000 0.076 0.000 1.174 370 F CB 0.435 39.540 39.000 0.175 0.000 1.419 370 F HN 0.305 nan 8.300 nan 0.000 0.514 371 S N 3.648 119.113 115.700 -0.391 0.000 2.707 371 S HA 0.527 4.998 4.470 0.002 0.000 0.276 371 S C -2.123 172.071 174.600 -0.677 0.000 1.179 371 S CA -1.215 56.655 58.200 -0.550 0.000 0.992 371 S CB 1.609 64.582 63.200 -0.377 0.000 1.030 371 S HN 0.326 nan 8.310 nan 0.000 0.554 372 P HA -0.043 nan 4.420 nan 0.000 0.215 372 P C 1.625 178.745 177.300 -0.299 0.000 1.153 372 P CA 2.021 64.912 63.100 -0.349 0.000 0.853 372 P CB -0.289 31.298 31.700 -0.188 0.000 0.788 373 A N -0.867 121.829 122.820 -0.205 0.000 1.908 373 A HA -0.231 4.090 4.320 0.002 0.000 0.218 373 A C 2.145 179.508 177.584 -0.369 0.000 1.181 373 A CA 2.096 53.970 52.037 -0.272 0.000 0.627 373 A CB -1.486 17.456 19.000 -0.097 0.000 0.818 373 A HN 0.138 nan 8.150 nan 0.000 0.445 374 M N -0.821 118.555 119.600 -0.373 0.000 2.229 374 M HA -0.093 4.388 4.480 0.002 0.000 0.264 374 M C 1.995 178.051 176.300 -0.407 0.000 1.063 374 M CA 1.091 56.182 55.300 -0.349 0.000 1.114 374 M CB -0.363 32.028 32.600 -0.348 0.000 1.387 374 M HN 0.233 nan 8.290 nan 0.000 0.420 375 V N 0.489 120.071 119.914 -0.553 0.000 2.427 375 V HA -0.230 3.891 4.120 0.002 0.000 0.248 375 V C 2.389 178.353 176.094 -0.216 0.000 1.051 375 V CA 1.701 63.783 62.300 -0.363 0.000 1.048 375 V CB -0.713 30.952 31.823 -0.263 0.000 0.666 375 V HN 0.372 nan 8.190 nan 0.000 0.456 376 K N 1.134 121.316 120.400 -0.362 0.000 2.063 376 K HA -0.143 4.178 4.320 0.002 0.000 0.208 376 K C 2.261 178.713 176.600 -0.247 0.000 1.048 376 K CA 2.052 58.097 56.287 -0.404 0.000 0.928 376 K CB -0.715 31.170 32.500 -1.026 0.000 0.713 376 K HN 0.429 nan 8.250 nan 0.000 0.442 377 S N -0.180 115.356 115.700 -0.273 0.000 2.383 377 S HA -0.107 4.364 4.470 0.002 0.000 0.229 377 S C 1.920 176.375 174.600 -0.241 0.000 1.030 377 S CA 1.311 59.375 58.200 -0.228 0.000 1.002 377 S CB -0.305 62.763 63.200 -0.219 0.000 0.829 377 S HN 0.137 nan 8.310 nan 0.000 0.467 378 V N 0.191 119.963 119.914 -0.237 0.000 2.427 378 V HA -0.161 3.960 4.120 0.002 0.000 0.248 378 V C 1.798 177.753 176.094 -0.231 0.000 1.051 378 V CA 1.528 63.672 62.300 -0.260 0.000 1.048 378 V CB -0.762 30.956 31.823 -0.175 0.000 0.666 378 V HN 0.522 nan 8.190 nan 0.000 0.456 379 Y N 0.189 120.436 120.300 -0.089 0.000 2.243 379 Y HA -0.142 4.409 4.550 0.002 0.000 0.293 379 Y C 2.525 178.384 175.900 -0.069 0.000 1.124 379 Y CA 1.242 59.309 58.100 -0.054 0.000 1.159 379 Y CB -0.099 38.329 38.460 -0.053 0.000 1.008 379 Y HN 0.269 nan 8.280 nan 0.000 0.527 380 D N -0.238 120.188 120.400 0.044 0.000 2.178 380 D HA -0.178 4.463 4.640 0.002 0.000 0.201 380 D C 1.692 177.966 176.300 -0.044 0.000 0.980 380 D CA 1.100 55.092 54.000 -0.013 0.000 0.842 380 D CB -0.464 40.298 40.800 -0.063 0.000 0.948 380 D HN 0.287 nan 8.370 nan 0.000 0.472 381 N N 0.067 118.706 118.700 -0.102 0.000 2.244 381 N HA -0.083 4.658 4.740 0.002 0.000 0.183 381 N C 1.623 177.101 175.510 -0.053 0.000 1.016 381 N CA 0.803 53.773 53.050 -0.133 0.000 0.866 381 N CB -0.098 38.212 38.487 -0.295 0.000 0.980 381 N HN 0.090 nan 8.380 nan 0.000 0.430 382 M N -0.704 118.891 119.600 -0.007 0.000 2.476 382 M HA -0.010 4.471 4.480 0.002 0.000 0.262 382 M C 1.010 177.336 176.300 0.044 0.000 1.079 382 M CA 0.909 56.234 55.300 0.041 0.000 1.104 382 M CB 0.054 32.709 32.600 0.092 0.000 1.409 382 M HN 0.290 nan 8.290 nan 0.000 0.467 383 S N -1.779 113.942 115.700 0.034 0.000 2.629 383 S HA 0.364 4.835 4.470 0.002 0.000 0.236 383 S C 0.736 175.342 174.600 0.010 0.000 1.010 383 S CA -0.199 58.018 58.200 0.029 0.000 0.981 383 S CB 0.459 63.680 63.200 0.035 0.000 0.919 383 S HN 0.366 nan 8.310 nan 0.000 0.514 384 G N 1.363 110.161 108.800 -0.003 0.000 3.387 384 G HA2 0.601 4.562 3.960 0.002 0.000 0.194 384 G HA3 0.601 4.562 3.960 0.002 0.000 0.194 384 G C 1.181 176.073 174.900 -0.013 0.000 1.417 384 G CA 0.015 45.107 45.100 -0.013 0.000 0.777 384 G HN 0.422 nan 8.290 nan 0.000 0.721 385 A N -0.439 122.366 122.820 -0.025 0.000 2.019 385 A HA 0.116 4.437 4.320 0.002 0.000 0.219 385 A C 1.313 178.891 177.584 -0.010 0.000 1.164 385 A CA 1.984 54.010 52.037 -0.019 0.000 0.644 385 A CB -0.683 18.301 19.000 -0.028 0.000 0.805 385 A HN 0.669 nan 8.150 nan 0.000 0.449 386 K N -1.081 119.310 120.400 -0.016 0.000 3.150 386 K HA -0.174 4.147 4.320 0.002 0.000 0.267 386 K C -0.083 176.531 176.600 0.023 0.000 1.028 386 K CA 0.923 57.213 56.287 0.006 0.000 0.753 386 K CB -1.452 31.058 32.500 0.015 0.000 1.288 386 K HN 0.689 nan 8.250 nan 0.000 0.473 387 K N 1.314 121.722 120.400 0.013 0.000 2.436 387 K HA 0.064 4.385 4.320 0.002 0.000 0.275 387 K C 0.099 176.798 176.600 0.166 0.000 0.999 387 K CA -0.084 56.241 56.287 0.063 0.000 0.980 387 K CB 0.492 33.014 32.500 0.037 0.000 0.919 387 K HN 0.137 nan 8.250 nan 0.000 0.484 388 N N 1.217 119.978 118.700 0.103 0.000 2.404 388 N HA 0.199 4.940 4.740 0.002 0.000 0.297 388 N C -1.211 174.273 175.510 -0.043 0.000 1.163 388 N CA -0.154 52.872 53.050 -0.040 0.000 0.864 388 N CB 0.623 38.993 38.487 -0.195 0.000 1.247 388 N HN 0.655 nan 8.380 nan 0.000 0.510 389 H N 0.107 119.074 119.070 -0.171 0.000 2.692 389 H HA -0.208 4.349 4.556 0.002 0.000 0.316 389 H C -0.429 174.814 175.328 -0.142 0.000 1.176 389 H CA 0.853 56.751 56.048 -0.251 0.000 1.142 389 H CB -2.146 27.517 29.762 -0.166 0.000 1.475 389 H HN 0.413 nan 8.280 nan 0.000 0.423 390 F N -0.340 119.608 119.950 -0.002 0.000 2.375 390 F HA 0.699 5.227 4.527 0.002 0.000 0.317 390 F C 0.678 176.491 175.800 0.020 0.000 1.124 390 F CA -0.498 57.508 58.000 0.009 0.000 1.050 390 F CB 0.806 39.803 39.000 -0.006 0.000 1.314 390 F HN 0.018 nan 8.300 nan 0.000 0.511 391 T N -0.729 114.059 114.554 0.391 0.000 2.907 391 T HA 0.781 5.133 4.350 0.002 0.000 0.292 391 T C -1.106 173.827 174.700 0.388 0.000 1.043 391 T CA -0.799 61.465 62.100 0.275 0.000 1.003 391 T CB 1.486 70.436 68.868 0.137 0.000 1.084 391 T HN 0.749 nan 8.240 nan 0.000 0.483 392 V N 0.270 120.386 119.914 0.337 0.000 2.760 392 V HA 0.826 4.947 4.120 0.002 0.000 0.309 392 V C 1.013 177.247 176.094 0.233 0.000 1.077 392 V CA -0.230 62.235 62.300 0.276 0.000 0.910 392 V CB 0.856 32.893 31.823 0.356 0.000 1.008 392 V HN 1.522 nan 8.190 nan 0.000 0.424 393 G N 3.472 112.361 108.800 0.148 0.000 2.211 393 G HA2 -0.128 3.833 3.960 0.002 0.000 0.201 393 G HA3 -0.128 3.833 3.960 0.002 0.000 0.201 393 G C -0.162 174.788 174.900 0.083 0.000 0.997 393 G CA 0.161 45.335 45.100 0.122 0.000 0.652 393 G HN 1.351 nan 8.290 nan 0.000 0.500 394 I N -2.769 117.850 120.570 0.081 0.000 3.074 394 I HA 0.838 5.009 4.170 0.002 0.000 0.310 394 I C -0.710 175.444 176.117 0.061 0.000 1.153 394 I CA -1.412 59.928 61.300 0.067 0.000 0.993 394 I CB 2.279 40.317 38.000 0.064 0.000 1.237 394 I HN -0.016 nan 8.210 nan 0.000 0.443 395 E N 2.619 122.855 120.200 0.059 0.000 2.035 395 E HA 0.132 4.483 4.350 0.002 0.000 0.271 395 E C -1.313 175.319 176.600 0.054 0.000 0.953 395 E CA -0.464 55.964 56.400 0.047 0.000 0.777 395 E CB 0.823 30.545 29.700 0.037 0.000 1.104 395 E HN 0.614 nan 8.360 nan 0.000 0.408 396 D N 4.431 124.861 120.400 0.050 0.000 2.494 396 D HA -0.010 4.631 4.640 0.002 0.000 0.217 396 D C 0.201 176.523 176.300 0.036 0.000 1.153 396 D CA -0.398 53.631 54.000 0.049 0.000 0.954 396 D CB 0.513 41.344 40.800 0.051 0.000 1.034 396 D HN 0.448 nan 8.370 nan 0.000 0.518 397 D N 1.777 122.196 120.400 0.032 0.000 2.340 397 D HA -0.069 4.572 4.640 0.002 0.000 0.220 397 D C 1.274 177.584 176.300 0.017 0.000 1.039 397 D CA 0.013 54.025 54.000 0.019 0.000 0.866 397 D CB 0.303 41.110 40.800 0.011 0.000 0.913 397 D HN 0.254 nan 8.370 nan 0.000 0.523 398 V N 0.519 120.448 119.914 0.024 0.000 2.795 398 V HA -0.000 4.121 4.120 0.002 0.000 0.243 398 V C 1.978 178.083 176.094 0.018 0.000 1.069 398 V CA 1.815 64.126 62.300 0.020 0.000 1.089 398 V CB 0.147 31.985 31.823 0.025 0.000 0.756 398 V HN 0.461 nan 8.190 nan 0.000 0.471 399 T N -3.073 111.494 114.554 0.022 0.000 3.111 399 T HA 0.353 4.704 4.350 0.002 0.000 0.284 399 T C 1.340 176.056 174.700 0.027 0.000 0.983 399 T CA 0.436 62.548 62.100 0.020 0.000 0.900 399 T CB 0.603 69.481 68.868 0.016 0.000 1.132 399 T HN 0.767 nan 8.240 nan 0.000 0.531 400 G N 2.443 111.261 108.800 0.029 0.000 2.356 400 G HA2 -0.317 3.644 3.960 0.002 0.000 0.296 400 G HA3 -0.317 3.644 3.960 0.002 0.000 0.296 400 G C 0.806 175.736 174.900 0.049 0.000 1.022 400 G CA 0.949 46.069 45.100 0.033 0.000 0.961 400 G HN 0.972 nan 8.290 nan 0.000 0.510 401 T N -2.696 111.895 114.554 0.062 0.000 3.065 401 T HA 0.420 4.771 4.350 0.002 0.000 0.252 401 T C 1.530 176.312 174.700 0.136 0.000 1.099 401 T CA 0.950 63.108 62.100 0.097 0.000 1.063 401 T CB 0.132 69.052 68.868 0.086 0.000 0.948 401 T HN 1.335 nan 8.240 nan 0.000 0.506 402 S N 1.387 117.146 115.700 0.098 0.000 2.603 402 S HA 0.604 5.075 4.470 0.002 0.000 0.268 402 S C -0.088 174.535 174.600 0.038 0.000 1.317 402 S CA -0.990 57.269 58.200 0.099 0.000 1.012 402 S CB 0.543 63.787 63.200 0.074 0.000 0.926 402 S HN 0.398 nan 8.310 nan 0.000 0.539 403 L N 2.418 123.637 121.223 -0.006 0.000 2.334 403 L HA 0.484 4.825 4.340 0.002 0.000 0.277 403 L C -1.867 174.958 176.870 -0.075 0.000 1.075 403 L CA -2.194 52.577 54.840 -0.115 0.000 0.804 403 L CB 0.888 42.779 42.059 -0.279 0.000 1.174 403 L HN 0.567 nan 8.230 nan 0.000 0.438 404 P HA 0.170 nan 4.420 nan 0.000 0.275 404 P C -1.032 176.222 177.300 -0.077 0.000 1.227 404 P CA -0.232 62.833 63.100 -0.059 0.000 0.781 404 P CB 1.715 33.383 31.700 -0.053 0.000 0.906 405 V N 3.080 122.958 119.914 -0.060 0.000 2.444 405 V HA 0.184 4.305 4.120 0.002 0.000 0.294 405 V C -0.109 175.952 176.094 -0.055 0.000 1.022 405 V CA -0.371 61.883 62.300 -0.076 0.000 0.850 405 V CB 1.617 33.400 31.823 -0.067 0.000 0.992 405 V HN 0.556 nan 8.190 nan 0.000 0.426 406 D N 3.862 124.226 120.400 -0.061 0.000 2.456 406 D HA 0.174 4.815 4.640 0.002 0.000 0.219 406 D C 0.766 177.070 176.300 0.007 0.000 1.126 406 D CA -0.176 53.811 54.000 -0.022 0.000 0.890 406 D CB 0.629 41.421 40.800 -0.014 0.000 1.025 406 D HN 0.406 nan 8.370 nan 0.000 0.511 407 N N 2.464 121.169 118.700 0.008 0.000 2.567 407 N HA -0.035 4.706 4.740 0.002 0.000 0.195 407 N C 0.921 176.458 175.510 0.045 0.000 1.242 407 N CA 0.133 53.197 53.050 0.023 0.000 0.884 407 N CB 0.491 38.982 38.487 0.007 0.000 1.007 407 N HN 0.477 nan 8.380 nan 0.000 0.450 408 A N -0.005 122.851 122.820 0.060 0.000 2.178 408 A HA 0.068 4.389 4.320 0.002 0.000 0.211 408 A C 0.677 178.312 177.584 0.085 0.000 1.157 408 A CA -0.510 51.559 52.037 0.053 0.000 0.780 408 A CB -0.363 18.663 19.000 0.043 0.000 0.828 408 A HN 0.311 nan 8.150 nan 0.000 0.476 409 F N 1.627 121.546 119.950 -0.052 0.000 2.604 409 F HA 0.240 4.768 4.527 0.002 0.000 0.393 409 F C 1.055 176.807 175.800 -0.080 0.000 1.043 409 F CA -0.337 57.624 58.000 -0.065 0.000 1.227 409 F CB 0.362 39.303 39.000 -0.098 0.000 1.016 409 F HN 0.369 nan 8.300 nan 0.000 0.556 410 A N 5.554 128.011 122.820 -0.604 0.000 2.504 410 A HA -0.048 4.273 4.320 0.002 0.000 0.242 410 A C 0.160 177.355 177.584 -0.649 0.000 1.100 410 A CA -0.065 51.655 52.037 -0.528 0.000 0.786 410 A CB -0.001 18.760 19.000 -0.398 0.000 1.050 410 A HN 0.838 nan 8.150 nan 0.000 0.512 411 D N -0.327 119.861 120.400 -0.353 0.000 2.390 411 D HA 0.141 4.782 4.640 0.002 0.000 0.249 411 D C 0.982 177.067 176.300 -0.358 0.000 1.144 411 D CA 0.889 54.741 54.000 -0.248 0.000 0.880 411 D CB 0.782 41.527 40.800 -0.091 0.000 1.182 411 D HN 0.544 nan 8.370 nan 0.000 0.451 412 T N -0.580 113.789 114.554 -0.309 0.000 3.085 412 T HA 0.084 4.435 4.350 0.002 0.000 0.264 412 T C 0.895 175.579 174.700 -0.027 0.000 1.019 412 T CA -0.337 61.580 62.100 -0.305 0.000 0.910 412 T CB -0.139 68.523 68.868 -0.342 0.000 1.059 412 T HN 0.417 nan 8.240 nan 0.000 0.542 413 T N 1.464 116.033 114.554 0.025 0.000 2.900 413 T HA 0.399 4.750 4.350 0.002 0.000 0.307 413 T C -2.523 172.203 174.700 0.043 0.000 1.065 413 T CA -1.172 60.960 62.100 0.053 0.000 1.105 413 T CB 0.004 68.901 68.868 0.049 0.000 0.979 413 T HN 0.026 nan 8.240 nan 0.000 0.544 414 P HA 0.123 nan 4.420 nan 0.000 0.269 414 P C -0.052 177.272 177.300 0.041 0.000 1.211 414 P CA -0.451 62.667 63.100 0.031 0.000 0.781 414 P CB 0.395 32.097 31.700 0.002 0.000 0.877 415 K N 1.016 121.441 120.400 0.042 0.000 2.382 415 K HA 0.235 4.556 4.320 0.002 0.000 0.275 415 K C 1.221 177.853 176.600 0.053 0.000 1.009 415 K CA 0.929 57.243 56.287 0.045 0.000 0.970 415 K CB -0.457 32.067 32.500 0.039 0.000 0.934 415 K HN 0.753 nan 8.250 nan 0.000 0.479 416 G N 2.222 111.057 108.800 0.058 0.000 2.284 416 G HA2 -0.254 3.707 3.960 0.002 0.000 0.230 416 G HA3 -0.254 3.707 3.960 0.002 0.000 0.230 416 G C 0.104 175.056 174.900 0.087 0.000 1.021 416 G CA 0.253 45.394 45.100 0.070 0.000 0.619 416 G HN 0.664 nan 8.290 nan 0.000 0.510 417 T N 1.985 116.590 114.554 0.085 0.000 2.871 417 T HA 0.417 4.768 4.350 0.002 0.000 0.296 417 T C 0.618 175.387 174.700 0.115 0.000 0.998 417 T CA 0.579 62.739 62.100 0.101 0.000 1.162 417 T CB 0.980 69.888 68.868 0.068 0.000 0.947 417 T HN 0.388 nan 8.240 nan 0.000 0.536 418 I N 3.520 124.187 120.570 0.163 0.000 2.359 418 I HA 0.270 4.441 4.170 0.002 0.000 0.294 418 I C 0.392 176.634 176.117 0.209 0.000 0.987 418 I CA -0.593 60.816 61.300 0.183 0.000 1.225 418 I CB 1.301 39.420 38.000 0.199 0.000 1.366 418 I HN 0.506 nan 8.210 nan 0.000 0.466 419 Q N 5.469 125.374 119.800 0.174 0.000 2.333 419 Q HA 0.600 4.941 4.340 0.002 0.000 0.267 419 Q C -1.458 174.659 176.000 0.195 0.000 1.012 419 Q CA -0.732 55.164 55.803 0.156 0.000 0.824 419 Q CB 2.679 31.479 28.738 0.103 0.000 1.290 419 Q HN 0.624 nan 8.270 nan 0.000 0.449 420 C N 1.534 120.957 119.300 0.204 0.000 2.634 420 C HA 0.570 5.031 4.460 0.002 0.000 0.313 420 C C -0.493 174.521 174.990 0.040 0.000 1.198 420 C CA -0.809 58.322 59.018 0.187 0.000 1.605 420 C CB 1.669 29.605 27.740 0.327 0.000 2.196 420 C HN 0.802 nan 8.230 nan 0.000 0.486 421 Q N 0.560 120.282 119.800 -0.129 0.000 2.356 421 Q HA 0.687 5.028 4.340 0.002 0.000 0.270 421 Q C -1.770 174.068 176.000 -0.270 0.000 1.058 421 Q CA -0.229 55.463 55.803 -0.186 0.000 0.802 421 Q CB 2.194 30.864 28.738 -0.113 0.000 1.303 421 Q HN 0.645 nan 8.270 nan 0.000 0.444 422 F N 0.860 120.738 119.950 -0.119 0.000 2.507 422 F HA 0.423 4.951 4.527 0.002 0.000 0.328 422 F C -1.057 174.630 175.800 -0.189 0.000 1.136 422 F CA -0.691 57.250 58.000 -0.099 0.000 0.930 422 F CB 1.093 40.004 39.000 -0.150 0.000 1.166 422 F HN 0.437 nan 8.300 nan 0.000 0.436 423 W N 2.676 123.964 121.300 -0.020 0.000 2.308 423 W HA 0.643 5.304 4.660 0.001 0.000 0.311 423 W C 0.381 176.987 176.519 0.145 0.000 1.088 423 W CA -0.752 56.637 57.345 0.074 0.000 1.309 423 W CB 1.471 31.040 29.460 0.181 0.000 1.229 423 W HN 0.628 nan 8.180 nan 0.000 0.427 424 G N 2.354 111.331 108.800 0.295 0.000 2.568 424 G HA2 0.678 4.639 3.960 0.002 0.000 0.313 424 G HA3 0.678 4.639 3.960 0.002 0.000 0.313 424 G C -2.044 173.084 174.900 0.380 0.000 1.227 424 G CA -0.965 44.318 45.100 0.305 0.000 0.979 424 G HN 0.315 nan 8.290 nan 0.000 0.486 425 L N 0.845 122.231 121.223 0.271 0.000 2.322 425 L HA 0.720 5.061 4.340 0.002 0.000 0.281 425 L C 0.863 177.838 176.870 0.175 0.000 1.014 425 L CA -0.517 54.469 54.840 0.245 0.000 0.815 425 L CB 1.182 43.320 42.059 0.132 0.000 1.247 425 L HN 0.764 nan 8.230 nan 0.000 0.421 426 G N 4.410 113.313 108.800 0.172 0.000 2.109 426 G HA2 0.358 4.319 3.960 0.002 0.000 0.249 426 G HA3 0.358 4.319 3.960 0.002 0.000 0.249 426 G C 0.818 175.779 174.900 0.102 0.000 1.126 426 G CA 0.432 45.614 45.100 0.136 0.000 0.923 426 G HN 2.005 nan 8.290 nan 0.000 0.439 427 A N 1.998 124.870 122.820 0.087 0.000 2.945 427 A HA -0.183 4.138 4.320 0.002 0.000 0.251 427 A C 1.435 179.054 177.584 0.058 0.000 1.355 427 A CA 1.651 53.724 52.037 0.060 0.000 0.905 427 A CB -1.799 17.229 19.000 0.047 0.000 1.104 427 A HN 1.316 nan 8.150 nan 0.000 0.733 428 D N -1.467 118.979 120.400 0.077 0.000 2.339 428 D HA 0.389 5.030 4.640 0.002 0.000 0.217 428 D C 1.438 177.781 176.300 0.073 0.000 1.050 428 D CA 0.949 54.994 54.000 0.074 0.000 0.856 428 D CB -0.526 40.332 40.800 0.096 0.000 0.922 428 D HN 1.830 nan 8.370 nan 0.000 0.518 429 G N -0.443 108.395 108.800 0.063 0.000 2.159 429 G HA2 -0.360 3.601 3.960 0.002 0.000 0.256 429 G HA3 -0.360 3.601 3.960 0.002 0.000 0.256 429 G C 1.162 176.097 174.900 0.057 0.000 0.977 429 G CA 0.690 45.819 45.100 0.047 0.000 0.652 429 G HN 0.354 nan 8.290 nan 0.000 0.531 430 T N 0.280 114.898 114.554 0.106 0.000 2.746 430 T HA -0.079 4.272 4.350 0.002 0.000 0.267 430 T C 2.577 177.267 174.700 -0.018 0.000 1.039 430 T CA 1.820 63.999 62.100 0.132 0.000 1.142 430 T CB -0.141 68.867 68.868 0.234 0.000 0.866 430 T HN 0.327 nan 8.240 nan 0.000 0.444 431 V N 1.375 121.249 119.914 -0.067 0.000 2.307 431 V HA -0.078 4.043 4.120 0.002 0.000 0.245 431 V C 2.895 178.854 176.094 -0.225 0.000 1.045 431 V CA 1.950 64.104 62.300 -0.243 0.000 1.024 431 V CB -1.397 30.186 31.823 -0.400 0.000 0.651 431 V HN 0.581 nan 8.190 nan 0.000 0.449 432 G N -0.306 108.414 108.800 -0.133 0.000 2.440 432 G HA2 -0.232 3.730 3.960 0.002 0.000 0.218 432 G HA3 -0.232 3.730 3.960 0.002 0.000 0.218 432 G C 1.742 176.612 174.900 -0.049 0.000 1.154 432 G CA 1.132 46.177 45.100 -0.092 0.000 0.767 432 G HN 0.615 nan 8.290 nan 0.000 0.552 433 A N 1.047 123.850 122.820 -0.028 0.000 1.930 433 A HA -0.042 4.279 4.320 0.002 0.000 0.217 433 A C 2.292 179.846 177.584 -0.050 0.000 1.175 433 A CA 1.744 53.784 52.037 0.005 0.000 0.627 433 A CB -0.365 18.660 19.000 0.042 0.000 0.815 433 A HN 0.339 nan 8.150 nan 0.000 0.443 434 N N 0.260 118.871 118.700 -0.147 0.000 2.084 434 N HA -0.131 4.610 4.740 0.002 0.000 0.190 434 N C 1.606 177.111 175.510 -0.009 0.000 1.030 434 N CA 1.550 54.466 53.050 -0.223 0.000 0.849 434 N CB -0.353 38.026 38.487 -0.180 0.000 1.012 434 N HN 0.549 nan 8.380 nan 0.000 0.423 435 K N 0.575 121.005 120.400 0.050 0.000 2.057 435 K HA -0.065 4.256 4.320 0.002 0.000 0.207 435 K C 1.978 178.620 176.600 0.071 0.000 1.049 435 K CA 0.853 57.191 56.287 0.085 0.000 0.931 435 K CB 0.028 32.524 32.500 -0.007 0.000 0.714 435 K HN 0.109 nan 8.250 nan 0.000 0.440 436 Q N 0.042 119.874 119.800 0.052 0.000 2.119 436 Q HA -0.057 4.284 4.340 0.002 0.000 0.201 436 Q C 2.063 178.161 176.000 0.165 0.000 0.972 436 Q CA 1.478 57.333 55.803 0.087 0.000 0.847 436 Q CB -0.125 28.659 28.738 0.076 0.000 0.903 436 Q HN 0.327 nan 8.270 nan 0.000 0.433 437 A N 0.303 123.223 122.820 0.166 0.000 1.969 437 A HA -0.098 4.223 4.320 0.002 0.000 0.218 437 A C 2.122 179.839 177.584 0.220 0.000 1.169 437 A CA 0.784 52.956 52.037 0.226 0.000 0.635 437 A CB -0.486 18.469 19.000 -0.075 0.000 0.810 437 A HN 0.321 nan 8.150 nan 0.000 0.445 438 I N -0.630 120.065 120.570 0.209 0.000 2.252 438 I HA -0.241 3.930 4.170 0.002 0.000 0.245 438 I C 2.532 178.774 176.117 0.209 0.000 1.102 438 I CA 1.793 63.257 61.300 0.274 0.000 1.385 438 I CB -0.212 37.887 38.000 0.165 0.000 1.064 438 I HN 0.363 nan 8.210 nan 0.000 0.414 439 K N 1.571 122.060 120.400 0.148 0.000 2.025 439 K HA -0.157 4.164 4.320 0.002 0.000 0.207 439 K C 2.159 178.829 176.600 0.118 0.000 1.049 439 K CA 1.444 57.796 56.287 0.108 0.000 0.933 439 K CB -0.076 32.468 32.500 0.074 0.000 0.714 439 K HN 0.186 nan 8.250 nan 0.000 0.438 440 I N 0.998 121.663 120.570 0.158 0.000 2.163 440 I HA -0.324 3.848 4.170 0.002 0.000 0.243 440 I C 2.253 178.461 176.117 0.153 0.000 1.085 440 I CA 1.409 62.811 61.300 0.170 0.000 1.347 440 I CB -0.202 37.971 38.000 0.288 0.000 1.044 440 I HN 0.220 nan 8.210 nan 0.000 0.408 441 I N 0.296 120.963 120.570 0.162 0.000 2.252 441 I HA -0.170 4.001 4.170 0.002 0.000 0.245 441 I C 2.616 178.789 176.117 0.093 0.000 1.102 441 I CA 1.504 62.856 61.300 0.087 0.000 1.385 441 I CB -0.772 37.208 38.000 -0.032 0.000 1.064 441 I HN 0.250 nan 8.210 nan 0.000 0.414 442 G N 0.165 109.043 108.800 0.130 0.000 2.422 442 G HA2 -0.201 3.760 3.960 0.002 0.000 0.218 442 G HA3 -0.201 3.760 3.960 0.002 0.000 0.218 442 G C 1.145 176.057 174.900 0.021 0.000 1.140 442 G CA 0.706 45.851 45.100 0.074 0.000 0.775 442 G HN 0.276 nan 8.290 nan 0.000 0.545 443 D N 0.122 120.542 120.400 0.033 0.000 2.323 443 D HA 0.017 4.658 4.640 0.002 0.000 0.209 443 D C 1.541 177.843 176.300 0.004 0.000 0.973 443 D CA 0.435 54.441 54.000 0.010 0.000 0.874 443 D CB 0.095 40.905 40.800 0.018 0.000 0.930 443 D HN 0.260 nan 8.370 nan 0.000 0.521 444 N N -0.272 118.437 118.700 0.015 0.000 2.170 444 N HA 0.034 4.775 4.740 0.002 0.000 0.222 444 N C 0.177 175.685 175.510 -0.004 0.000 1.218 444 N CA 0.204 53.258 53.050 0.006 0.000 0.889 444 N CB 1.760 40.260 38.487 0.020 0.000 1.083 444 N HN 0.204 nan 8.380 nan 0.000 0.520 445 T N -3.079 111.468 114.554 -0.012 0.000 2.696 445 T HA 0.343 4.695 4.350 0.002 0.000 0.291 445 T C -0.618 174.050 174.700 -0.054 0.000 1.095 445 T CA -0.492 61.594 62.100 -0.023 0.000 1.026 445 T CB 1.985 70.845 68.868 -0.014 0.000 1.390 445 T HN -0.338 nan 8.240 nan 0.000 0.513 446 D N 0.322 120.684 120.400 -0.063 0.000 2.388 446 D HA 0.363 5.004 4.640 0.002 0.000 0.221 446 D C 0.286 176.475 176.300 -0.186 0.000 1.133 446 D CA -0.081 53.844 54.000 -0.124 0.000 0.831 446 D CB -0.119 40.635 40.800 -0.077 0.000 0.962 446 D HN 0.418 nan 8.370 nan 0.000 0.502 447 L N 0.046 121.212 121.223 -0.095 0.000 2.439 447 L HA 0.293 4.634 4.340 0.002 0.000 0.261 447 L C 0.265 177.065 176.870 -0.117 0.000 1.153 447 L CA -0.554 54.284 54.840 -0.004 0.000 0.808 447 L CB 0.498 42.638 42.059 0.134 0.000 1.126 447 L HN -0.184 nan 8.230 nan 0.000 0.460 448 F N 0.613 120.627 119.950 0.108 0.000 2.377 448 F HA 0.626 5.155 4.527 0.002 0.000 0.328 448 F C 0.465 176.314 175.800 0.082 0.000 1.094 448 F CA -0.376 57.668 58.000 0.073 0.000 1.093 448 F CB 1.454 40.476 39.000 0.038 0.000 1.214 448 F HN 0.401 nan 8.300 nan 0.000 0.518 449 A N 2.505 125.431 122.820 0.177 0.000 2.449 449 A HA 0.674 4.995 4.320 0.002 0.000 0.302 449 A C -1.347 176.164 177.584 -0.122 0.000 1.048 449 A CA -0.613 51.391 52.037 -0.056 0.000 0.708 449 A CB 1.905 20.959 19.000 0.089 0.000 1.274 449 A HN 0.716 nan 8.150 nan 0.000 0.410 450 Q N 1.147 120.761 119.800 -0.310 0.000 2.359 450 Q HA 0.634 4.975 4.340 0.002 0.000 0.274 450 Q C -0.799 175.057 176.000 -0.239 0.000 1.074 450 Q CA -0.639 55.053 55.803 -0.185 0.000 0.810 450 Q CB 2.356 31.011 28.738 -0.140 0.000 1.342 450 Q HN 1.176 nan 8.270 nan 0.000 0.427 451 G N 1.959 110.679 108.800 -0.133 0.000 2.662 451 G HA2 0.558 4.519 3.960 0.002 0.000 0.302 451 G HA3 0.558 4.519 3.960 0.002 0.000 0.302 451 G C -2.427 172.352 174.900 -0.202 0.000 1.389 451 G CA -0.267 44.689 45.100 -0.240 0.000 0.998 451 G HN 0.496 nan 8.290 nan 0.000 0.502 452 Y N 1.478 121.407 120.300 -0.617 0.000 2.441 452 Y HA 0.699 5.250 4.550 0.002 0.000 0.334 452 Y C -1.847 173.672 175.900 -0.635 0.000 1.061 452 Y CA -1.522 56.352 58.100 -0.377 0.000 1.032 452 Y CB 1.787 40.140 38.460 -0.178 0.000 1.266 452 Y HN 0.476 nan 8.280 nan 0.000 0.441 453 F N 3.085 122.726 119.950 -0.514 0.000 2.529 453 F HA 0.606 5.134 4.527 0.002 0.000 0.320 453 F C -0.164 175.296 175.800 -0.566 0.000 1.118 453 F CA -0.847 56.889 58.000 -0.439 0.000 0.915 453 F CB 2.221 40.925 39.000 -0.493 0.000 1.161 453 F HN 0.313 nan 8.300 nan 0.000 0.445 454 S N 2.341 117.898 115.700 -0.237 0.000 2.489 454 S HA 0.643 5.114 4.470 0.002 0.000 0.291 454 S C -1.005 173.407 174.600 -0.314 0.000 1.151 454 S CA -0.625 57.482 58.200 -0.156 0.000 1.082 454 S CB 0.807 63.971 63.200 -0.061 0.000 1.019 454 S HN 0.444 nan 8.310 nan 0.000 0.492 455 Y N 0.553 120.847 120.300 -0.011 0.000 2.782 455 Y HA 0.585 5.136 4.550 0.002 0.000 0.329 455 Y C 0.448 176.345 175.900 -0.006 0.000 1.192 455 Y CA -1.022 57.078 58.100 -0.001 0.000 1.216 455 Y CB 0.690 39.160 38.460 0.017 0.000 1.447 455 Y HN 0.466 nan 8.280 nan 0.000 0.616 456 D N -1.434 119.097 120.400 0.219 0.000 2.340 456 D HA 0.290 4.931 4.640 0.002 0.000 0.240 456 D C 0.088 176.472 176.300 0.140 0.000 1.001 456 D CA -0.271 53.809 54.000 0.134 0.000 0.888 456 D CB 2.242 43.113 40.800 0.118 0.000 1.310 456 D HN 0.429 nan 8.370 nan 0.000 0.474 457 S N 0.602 116.375 115.700 0.122 0.000 2.461 457 S HA 0.000 4.472 4.470 0.002 0.000 0.228 457 S C 0.547 175.222 174.600 0.124 0.000 1.005 457 S CA 0.330 58.599 58.200 0.115 0.000 0.942 457 S CB 0.099 63.362 63.200 0.107 0.000 0.776 457 S HN 0.276 nan 8.310 nan 0.000 0.514 458 K N 2.455 122.935 120.400 0.134 0.000 2.383 458 K HA 0.142 4.463 4.320 0.002 0.000 0.286 458 K C 0.594 177.274 176.600 0.134 0.000 1.051 458 K CA 0.135 56.508 56.287 0.144 0.000 0.974 458 K CB 0.614 33.203 32.500 0.149 0.000 0.968 458 K HN 0.220 nan 8.250 nan 0.000 0.475 459 K N 0.554 121.036 120.400 0.136 0.000 2.217 459 K HA -0.049 4.272 4.320 0.002 0.000 0.202 459 K C 0.871 177.531 176.600 0.100 0.000 1.051 459 K CA 0.702 57.058 56.287 0.116 0.000 0.952 459 K CB 0.231 32.810 32.500 0.131 0.000 0.736 459 K HN 0.317 nan 8.250 nan 0.000 0.453 460 S N -1.146 114.616 115.700 0.103 0.000 2.521 460 S HA 0.464 4.935 4.470 0.002 0.000 0.295 460 S C 0.044 174.698 174.600 0.090 0.000 1.098 460 S CA -0.131 58.117 58.200 0.080 0.000 0.999 460 S CB 1.591 64.820 63.200 0.049 0.000 1.034 460 S HN 0.476 nan 8.310 nan 0.000 0.483 461 G N 3.045 111.901 108.800 0.094 0.000 2.249 461 G HA2 -0.171 3.790 3.960 0.002 0.000 0.273 461 G HA3 -0.171 3.790 3.960 0.002 0.000 0.273 461 G C 0.508 175.509 174.900 0.169 0.000 1.036 461 G CA 0.147 45.320 45.100 0.122 0.000 0.824 461 G HN 1.136 nan 8.290 nan 0.000 0.504 462 G N -0.975 107.922 108.800 0.161 0.000 2.572 462 G HA2 0.585 4.546 3.960 0.002 0.000 0.261 462 G HA3 0.585 4.546 3.960 0.002 0.000 0.261 462 G C 0.059 175.075 174.900 0.192 0.000 1.197 462 G CA -0.101 45.100 45.100 0.169 0.000 0.870 462 G HN 1.105 nan 8.290 nan 0.000 0.548 463 I N 0.532 121.178 120.570 0.126 0.000 2.353 463 I HA 0.576 4.747 4.170 0.002 0.000 0.293 463 I C 0.473 176.568 176.117 -0.037 0.000 0.992 463 I CA -0.626 60.701 61.300 0.045 0.000 1.268 463 I CB 1.439 39.272 38.000 -0.279 0.000 1.387 463 I HN 0.547 nan 8.210 nan 0.000 0.478 464 T N 6.000 120.535 114.554 -0.032 0.000 2.863 464 T HA 0.731 5.082 4.350 0.002 0.000 0.285 464 T C -0.399 174.141 174.700 -0.267 0.000 1.009 464 T CA -0.650 61.356 62.100 -0.157 0.000 0.989 464 T CB 1.103 69.893 68.868 -0.130 0.000 1.004 464 T HN 0.470 nan 8.240 nan 0.000 0.455 465 I N 2.467 122.812 120.570 -0.375 0.000 2.418 465 I HA 0.365 4.536 4.170 0.002 0.000 0.287 465 I C -0.067 175.879 176.117 -0.286 0.000 1.008 465 I CA -0.822 60.168 61.300 -0.516 0.000 1.104 465 I CB 2.105 39.631 38.000 -0.791 0.000 1.264 465 I HN 0.656 nan 8.210 nan 0.000 0.438 466 S N 4.165 119.738 115.700 -0.211 0.000 2.541 466 S HA 0.514 4.986 4.470 0.002 0.000 0.283 466 S C -0.782 173.655 174.600 -0.272 0.000 1.196 466 S CA -0.580 57.535 58.200 -0.141 0.000 1.062 466 S CB 0.837 64.051 63.200 0.023 0.000 1.009 466 S HN 0.450 nan 8.310 nan 0.000 0.502 467 H N 1.359 120.296 119.070 -0.220 0.000 2.708 467 H HA 0.530 5.087 4.556 0.002 0.000 0.320 467 H C -0.762 174.470 175.328 -0.160 0.000 0.991 467 H CA -0.374 55.613 56.048 -0.102 0.000 1.243 467 H CB 0.524 30.239 29.762 -0.078 0.000 1.446 467 H HN 0.315 nan 8.280 nan 0.000 0.502 468 L N 3.188 124.432 121.223 0.034 0.000 2.362 468 L HA 0.668 5.009 4.340 0.002 0.000 0.271 468 L C -0.061 176.736 176.870 -0.122 0.000 1.002 468 L CA -0.861 53.919 54.840 -0.100 0.000 0.818 468 L CB 2.247 44.300 42.059 -0.011 0.000 1.298 468 L HN 0.468 nan 8.230 nan 0.000 0.420 469 R N 2.019 122.292 120.500 -0.379 0.000 2.744 469 R HA 0.742 5.083 4.340 0.002 0.000 0.279 469 R C -1.767 174.182 176.300 -0.585 0.000 0.977 469 R CA -0.701 55.237 56.100 -0.271 0.000 0.906 469 R CB 2.644 32.852 30.300 -0.153 0.000 1.197 469 R HN 0.329 nan 8.270 nan 0.000 0.463 470 F N -0.294 119.714 119.950 0.097 0.000 2.581 470 F HA 0.697 5.225 4.527 0.002 0.000 0.311 470 F C 0.398 176.264 175.800 0.111 0.000 1.113 470 F CA -0.612 57.454 58.000 0.110 0.000 0.935 470 F CB 2.915 41.974 39.000 0.099 0.000 1.232 470 F HN 0.663 nan 8.300 nan 0.000 0.445 471 G N 1.428 110.420 108.800 0.320 0.000 2.646 471 G HA2 0.378 4.339 3.960 0.002 0.000 0.291 471 G HA3 0.378 4.339 3.960 0.002 0.000 0.291 471 G C -0.556 174.540 174.900 0.327 0.000 1.445 471 G CA -0.682 44.568 45.100 0.250 0.000 0.814 471 G HN 0.595 nan 8.290 nan 0.000 0.495 472 E N -0.514 119.832 120.200 0.244 0.000 2.358 472 E HA 0.032 4.383 4.350 0.002 0.000 0.195 472 E C 0.568 177.383 176.600 0.360 0.000 1.010 472 E CA 0.752 57.317 56.400 0.276 0.000 0.856 472 E CB 0.166 29.962 29.700 0.160 0.000 0.795 472 E HN 0.308 nan 8.360 nan 0.000 0.504 473 K N 0.756 121.250 120.400 0.156 0.000 2.221 473 K HA 0.362 4.683 4.320 0.002 0.000 0.243 473 K C -2.722 173.475 176.600 -0.671 0.000 0.968 473 K CA -2.415 53.781 56.287 -0.151 0.000 0.846 473 K CB 1.304 33.752 32.500 -0.086 0.000 1.141 473 K HN -0.268 nan 8.250 nan 0.000 0.434 474 P HA -0.006 nan 4.420 nan 0.000 0.264 474 P C -0.710 176.326 177.300 -0.441 0.000 1.183 474 P CA 0.402 62.836 63.100 -1.110 0.000 0.763 474 P CB 0.281 31.578 31.700 -0.671 0.000 0.807 475 I N 3.799 124.207 120.570 -0.269 0.000 2.301 475 I HA 0.116 4.287 4.170 0.002 0.000 0.292 475 I C 1.260 177.328 176.117 -0.083 0.000 1.046 475 I CA 0.221 61.447 61.300 -0.123 0.000 1.282 475 I CB 0.510 38.467 38.000 -0.071 0.000 1.409 475 I HN 0.321 nan 8.210 nan 0.000 0.484 476 Q N 3.082 122.846 119.800 -0.059 0.000 2.219 476 Q HA 0.148 4.489 4.340 0.002 0.000 0.209 476 Q C 0.208 176.211 176.000 0.006 0.000 0.854 476 Q CA -0.094 55.704 55.803 -0.008 0.000 0.960 476 Q CB 0.539 29.289 28.738 0.021 0.000 1.116 476 Q HN 0.608 nan 8.270 nan 0.000 0.500 477 S N 2.284 117.927 115.700 -0.094 0.000 3.829 477 S HA 0.007 4.478 4.470 0.002 0.000 0.250 477 S C 0.650 175.005 174.600 -0.407 0.000 1.263 477 S CA -0.038 57.970 58.200 -0.320 0.000 0.955 477 S CB -0.408 62.432 63.200 -0.600 0.000 1.611 477 S HN 0.266 nan 8.310 nan 0.000 0.483 478 T N 1.124 115.630 114.554 -0.081 0.000 3.843 478 T HA 0.396 4.747 4.350 0.002 0.000 0.227 478 T C -0.266 174.432 174.700 -0.003 0.000 1.043 478 T CA -0.614 61.458 62.100 -0.048 0.000 1.012 478 T CB -1.215 67.708 68.868 0.092 0.000 1.279 478 T HN 0.588 nan 8.240 nan 0.000 0.730 479 Y N -1.549 118.659 120.300 -0.152 0.000 2.624 479 Y HA 0.639 5.190 4.550 0.002 0.000 0.334 479 Y C -0.926 174.812 175.900 -0.271 0.000 1.155 479 Y CA -2.214 55.768 58.100 -0.196 0.000 1.046 479 Y CB 0.683 39.077 38.460 -0.110 0.000 1.316 479 Y HN 0.044 nan 8.280 nan 0.000 0.457 480 L N 2.078 123.168 121.223 -0.221 0.000 2.482 480 L HA 0.264 4.605 4.340 0.002 0.000 0.273 480 L C 0.060 176.906 176.870 -0.039 0.000 1.228 480 L CA -0.939 53.659 54.840 -0.403 0.000 0.827 480 L CB 0.324 42.106 42.059 -0.463 0.000 1.099 480 L HN 0.537 nan 8.230 nan 0.000 0.494 481 V N 2.100 122.120 119.914 0.177 0.000 2.585 481 V HA -0.062 4.059 4.120 0.002 0.000 0.296 481 V C 0.734 176.967 176.094 0.231 0.000 1.035 481 V CA 0.378 62.814 62.300 0.226 0.000 1.084 481 V CB 0.801 32.778 31.823 0.256 0.000 0.953 481 V HN 0.994 nan 8.190 nan 0.000 0.483 482 N N 3.502 122.316 118.700 0.191 0.000 2.257 482 N HA 0.113 4.854 4.740 0.002 0.000 0.200 482 N C 0.406 175.976 175.510 0.100 0.000 1.163 482 N CA -0.142 52.993 53.050 0.142 0.000 0.891 482 N CB 0.482 39.039 38.487 0.117 0.000 1.067 482 N HN 0.584 nan 8.380 nan 0.000 0.497 483 R N 0.605 121.163 120.500 0.097 0.000 2.607 483 R HA 0.576 4.917 4.340 0.002 0.000 0.278 483 R C -1.170 175.177 176.300 0.079 0.000 1.637 483 R CA -0.476 55.665 56.100 0.068 0.000 1.325 483 R CB 1.565 31.892 30.300 0.045 0.000 1.211 483 R HN 0.183 nan 8.270 nan 0.000 0.565 484 A N 1.041 123.909 122.820 0.081 0.000 2.322 484 A HA 0.200 4.521 4.320 0.002 0.000 0.269 484 A C 0.380 178.028 177.584 0.108 0.000 1.094 484 A CA -0.427 51.668 52.037 0.096 0.000 0.807 484 A CB 0.468 19.520 19.000 0.086 0.000 1.047 484 A HN 0.624 nan 8.150 nan 0.000 0.487 485 D N -1.125 119.363 120.400 0.147 0.000 2.301 485 D HA 0.054 4.695 4.640 0.002 0.000 0.206 485 D C -0.780 175.660 176.300 0.235 0.000 0.979 485 D CA 1.472 55.572 54.000 0.167 0.000 0.874 485 D CB 0.317 41.216 40.800 0.166 0.000 0.968 485 D HN 0.554 nan 8.370 nan 0.000 0.510 486 Y N 1.064 121.409 120.300 0.074 0.000 2.361 486 Y HA 0.355 4.906 4.550 0.002 0.000 0.328 486 Y C -1.581 174.322 175.900 0.004 0.000 1.044 486 Y CA -0.695 57.443 58.100 0.064 0.000 1.085 486 Y CB 1.434 39.928 38.460 0.057 0.000 1.194 486 Y HN -0.399 nan 8.280 nan 0.000 0.438 487 V N 5.476 125.216 119.914 -0.289 0.000 2.540 487 V HA 0.887 5.008 4.120 0.002 0.000 0.302 487 V C -0.603 175.330 176.094 -0.269 0.000 1.035 487 V CA -0.494 61.691 62.300 -0.192 0.000 0.873 487 V CB 1.476 33.283 31.823 -0.025 0.000 0.992 487 V HN 0.906 nan 8.190 nan 0.000 0.428 488 A N 3.295 125.987 122.820 -0.214 0.000 2.330 488 A HA 0.669 4.990 4.320 0.002 0.000 0.313 488 A C -0.618 177.126 177.584 0.266 0.000 1.124 488 A CA -0.433 51.608 52.037 0.007 0.000 0.774 488 A CB 1.380 20.463 19.000 0.139 0.000 1.198 488 A HN 0.981 nan 8.150 nan 0.000 0.465 489 C N 3.193 122.721 119.300 0.379 0.000 2.251 489 C HA 0.543 5.004 4.460 0.002 0.000 0.323 489 C C 0.857 176.086 174.990 0.397 0.000 1.241 489 C CA -0.346 58.912 59.018 0.399 0.000 1.601 489 C CB -1.326 26.655 27.740 0.402 0.000 2.251 489 C HN 1.000 nan 8.230 nan 0.000 0.488 490 H N 2.938 122.157 119.070 0.249 0.000 2.539 490 H HA 0.145 4.702 4.556 0.002 0.000 0.269 490 H C 0.303 175.615 175.328 -0.028 0.000 0.980 490 H CA 0.000 56.122 56.048 0.123 0.000 1.152 490 H CB 0.329 30.199 29.762 0.180 0.000 1.407 490 H HN 0.589 nan 8.280 nan 0.000 0.564 491 N N 0.824 119.505 118.700 -0.032 0.000 2.461 491 N HA 0.062 4.803 4.740 0.002 0.000 0.284 491 N C -2.075 173.275 175.510 -0.267 0.000 1.049 491 N CA -2.242 50.621 53.050 -0.313 0.000 0.889 491 N CB 2.043 40.022 38.487 -0.847 0.000 1.365 491 N HN -0.089 nan 8.380 nan 0.000 0.499 492 P HA -0.132 nan 4.420 nan 0.000 0.216 492 P C 0.997 178.358 177.300 0.103 0.000 1.150 492 P CA 1.029 64.040 63.100 -0.147 0.000 0.837 492 P CB 0.248 31.640 31.700 -0.514 0.000 0.786 493 A N -0.482 122.367 122.820 0.049 0.000 2.032 493 A HA -0.209 4.112 4.320 0.002 0.000 0.221 493 A C 2.254 180.040 177.584 0.336 0.000 1.165 493 A CA 1.244 53.393 52.037 0.187 0.000 0.645 493 A CB -1.965 17.124 19.000 0.149 0.000 0.807 493 A HN 0.277 nan 8.150 nan 0.000 0.453 494 Y N -0.948 119.492 120.300 0.234 0.000 2.421 494 Y HA -0.145 4.407 4.550 0.002 0.000 0.292 494 Y C 2.431 178.415 175.900 0.139 0.000 1.136 494 Y CA 0.199 58.469 58.100 0.283 0.000 1.255 494 Y CB -0.232 38.407 38.460 0.299 0.000 0.991 494 Y HN 0.150 nan 8.280 nan 0.000 0.552 495 V N -0.075 120.020 119.914 0.301 0.000 2.278 495 V HA -0.319 3.802 4.120 0.002 0.000 0.251 495 V C 2.194 178.331 176.094 0.073 0.000 1.062 495 V CA 2.198 64.616 62.300 0.197 0.000 1.038 495 V CB -1.038 30.981 31.823 0.328 0.000 0.646 495 V HN 0.561 nan 8.190 nan 0.000 0.447 496 G N -2.174 106.669 108.800 0.072 0.000 3.371 496 G HA2 0.301 4.262 3.960 0.002 0.000 0.248 496 G HA3 0.301 4.262 3.960 0.002 0.000 0.248 496 G C 0.815 175.670 174.900 -0.076 0.000 1.161 496 G CA 0.041 45.130 45.100 -0.018 0.000 0.796 496 G HN 0.452 nan 8.290 nan 0.000 0.539 497 I N -1.432 119.062 120.570 -0.125 0.000 3.673 497 I HA 0.334 4.505 4.170 0.002 0.000 0.281 497 I C 0.009 175.826 176.117 -0.501 0.000 1.182 497 I CA -0.340 60.741 61.300 -0.366 0.000 1.391 497 I CB -0.022 37.621 38.000 -0.594 0.000 1.383 497 I HN 0.021 nan 8.210 nan 0.000 0.456 498 Y N 0.131 120.378 120.300 -0.088 0.000 2.496 498 Y HA 0.434 4.985 4.550 0.002 0.000 0.331 498 Y C 0.216 175.954 175.900 -0.270 0.000 1.140 498 Y CA -1.213 56.788 58.100 -0.165 0.000 1.166 498 Y CB 0.579 38.891 38.460 -0.248 0.000 1.249 498 Y HN -0.146 nan 8.280 nan 0.000 0.479 499 D N 2.510 122.894 120.400 -0.027 0.000 2.688 499 D HA 0.045 4.686 4.640 0.002 0.000 0.228 499 D C 1.051 177.210 176.300 -0.235 0.000 1.116 499 D CA 0.009 53.944 54.000 -0.109 0.000 1.023 499 D CB -0.404 40.388 40.800 -0.013 0.000 1.100 499 D HN 0.604 nan 8.370 nan 0.000 0.487 500 I N -1.709 118.546 120.570 -0.525 0.000 2.756 500 I HA -0.109 4.062 4.170 0.002 0.000 0.262 500 I C 0.981 176.817 176.117 -0.468 0.000 1.225 500 I CA 0.803 61.607 61.300 -0.827 0.000 1.472 500 I CB -0.061 37.288 38.000 -1.085 0.000 1.094 500 I HN 0.162 nan 8.210 nan 0.000 0.454 501 L N 1.124 122.111 121.223 -0.393 0.000 2.693 501 L HA 0.261 4.602 4.340 0.002 0.000 0.235 501 L C 0.947 177.722 176.870 -0.158 0.000 1.127 501 L CA -0.161 54.474 54.840 -0.342 0.000 0.914 501 L CB -0.199 41.588 42.059 -0.454 0.000 1.193 501 L HN 0.289 nan 8.230 nan 0.000 0.502 502 E N 1.234 121.384 120.200 -0.084 0.000 2.558 502 E HA 0.018 4.369 4.350 0.002 0.000 0.255 502 E C 1.269 177.874 176.600 0.007 0.000 0.968 502 E CA 0.918 57.305 56.400 -0.022 0.000 0.939 502 E CB 0.311 30.027 29.700 0.028 0.000 0.921 502 E HN 0.365 nan 8.360 nan 0.000 0.477 503 G N 4.225 113.024 108.800 -0.002 0.000 2.212 503 G HA2 -0.343 3.618 3.960 0.002 0.000 0.266 503 G HA3 -0.343 3.618 3.960 0.002 0.000 0.266 503 G C 0.444 175.353 174.900 0.014 0.000 0.978 503 G CA 0.172 45.281 45.100 0.015 0.000 0.632 503 G HN 0.706 nan 8.290 nan 0.000 0.537 504 I N 1.663 122.229 120.570 -0.007 0.000 2.845 504 I HA 0.196 4.367 4.170 0.002 0.000 0.296 504 I C 0.977 177.105 176.117 0.017 0.000 1.216 504 I CA 0.013 61.314 61.300 0.003 0.000 1.438 504 I CB 0.284 38.262 38.000 -0.037 0.000 1.342 504 I HN 0.176 nan 8.210 nan 0.000 0.577 505 K N 5.970 126.395 120.400 0.042 0.000 2.319 505 K HA 0.093 4.414 4.320 0.002 0.000 0.265 505 K C -0.456 176.174 176.600 0.049 0.000 1.000 505 K CA -0.660 55.654 56.287 0.044 0.000 0.943 505 K CB 0.212 32.746 32.500 0.058 0.000 0.950 505 K HN 0.512 nan 8.250 nan 0.000 0.485 506 D N 0.626 121.052 120.400 0.044 0.000 2.488 506 D HA 0.018 4.659 4.640 0.002 0.000 0.238 506 D C 1.285 177.629 176.300 0.074 0.000 1.138 506 D CA 1.381 55.412 54.000 0.052 0.000 0.873 506 D CB 0.776 41.603 40.800 0.044 0.000 1.183 506 D HN 0.794 nan 8.370 nan 0.000 0.458 507 G N 1.733 110.589 108.800 0.094 0.000 2.184 507 G HA2 -0.223 3.738 3.960 0.002 0.000 0.264 507 G HA3 -0.223 3.738 3.960 0.002 0.000 0.264 507 G C 0.820 175.806 174.900 0.143 0.000 0.975 507 G CA 0.387 45.559 45.100 0.119 0.000 0.642 507 G HN 0.817 nan 8.290 nan 0.000 0.536 508 G N -0.700 108.182 108.800 0.136 0.000 2.683 508 G HA2 0.586 4.547 3.960 0.002 0.000 0.260 508 G HA3 0.586 4.547 3.960 0.002 0.000 0.260 508 G C 0.400 175.431 174.900 0.219 0.000 1.238 508 G CA 1.029 46.226 45.100 0.161 0.000 0.934 508 G HN 1.439 nan 8.290 nan 0.000 0.534 509 T N -2.362 112.342 114.554 0.249 0.000 2.888 509 T HA 0.598 4.949 4.350 0.002 0.000 0.284 509 T C -1.307 173.546 174.700 0.256 0.000 1.017 509 T CA -0.761 61.530 62.100 0.319 0.000 1.022 509 T CB 1.476 70.565 68.868 0.369 0.000 1.013 509 T HN 0.512 nan 8.240 nan 0.000 0.465 510 F N 4.546 124.605 119.950 0.181 0.000 2.499 510 F HA 0.666 5.194 4.527 0.002 0.000 0.333 510 F C -1.445 174.503 175.800 0.247 0.000 1.138 510 F CA -1.647 56.420 58.000 0.111 0.000 0.945 510 F CB 1.253 40.349 39.000 0.160 0.000 1.181 510 F HN 0.508 nan 8.300 nan 0.000 0.435 511 V N 7.292 127.085 119.914 -0.203 0.000 2.435 511 V HA 0.531 4.652 4.120 0.002 0.000 0.290 511 V C -0.861 174.969 176.094 -0.441 0.000 1.030 511 V CA -0.723 61.422 62.300 -0.258 0.000 0.881 511 V CB 1.493 33.253 31.823 -0.104 0.000 0.983 511 V HN 0.684 nan 8.190 nan 0.000 0.445 512 L N 4.652 125.618 121.223 -0.429 0.000 2.385 512 L HA 0.646 4.987 4.340 0.002 0.000 0.273 512 L C -0.577 176.194 176.870 -0.167 0.000 0.990 512 L CA -0.364 54.292 54.840 -0.306 0.000 0.821 512 L CB 1.948 43.824 42.059 -0.306 0.000 1.279 512 L HN 0.696 nan 8.230 nan 0.000 0.412 513 N N 2.974 121.616 118.700 -0.097 0.000 2.426 513 N HA 0.722 5.463 4.740 0.002 0.000 0.257 513 N C -1.197 174.149 175.510 -0.272 0.000 1.002 513 N CA 0.438 53.404 53.050 -0.140 0.000 0.942 513 N CB 0.990 39.424 38.487 -0.088 0.000 1.112 513 N HN 0.816 nan 8.380 nan 0.000 0.499 514 S N 2.714 118.198 115.700 -0.360 0.000 2.595 514 S HA 0.501 4.972 4.470 0.002 0.000 0.270 514 S C -2.849 171.423 174.600 -0.547 0.000 1.145 514 S CA -0.883 56.908 58.200 -0.681 0.000 0.825 514 S CB 1.801 64.335 63.200 -1.110 0.000 1.107 514 S HN 0.405 nan 8.310 nan 0.000 0.461 515 P HA 0.285 nan 4.420 nan 0.000 0.262 515 P C -0.461 176.766 177.300 -0.121 0.000 1.304 515 P CA 0.047 62.947 63.100 -0.334 0.000 0.859 515 P CB -0.139 31.402 31.700 -0.264 0.000 1.310 516 W N 1.326 122.602 121.300 -0.040 0.000 1.518 516 W HA 0.276 4.937 4.660 0.002 0.000 0.426 516 W C 0.862 177.454 176.519 0.123 0.000 0.675 516 W CA -0.614 56.743 57.345 0.019 0.000 1.936 516 W CB -1.046 28.411 29.460 -0.006 0.000 1.749 516 W HN -0.006 nan 8.180 nan 0.000 0.247 517 S N 0.999 116.866 115.700 0.279 0.000 2.368 517 S HA -0.120 4.351 4.470 0.002 0.000 0.224 517 S C 1.305 176.097 174.600 0.321 0.000 1.029 517 S CA 0.997 59.350 58.200 0.256 0.000 0.988 517 S CB -0.153 63.127 63.200 0.134 0.000 0.838 517 S HN 0.412 nan 8.310 nan 0.000 0.462 518 S N 2.055 117.917 115.700 0.270 0.000 2.580 518 S HA 0.294 4.765 4.470 0.002 0.000 0.274 518 S C 0.938 175.746 174.600 0.347 0.000 1.329 518 S CA -0.737 57.594 58.200 0.219 0.000 1.036 518 S CB 0.948 64.242 63.200 0.157 0.000 0.919 518 S HN 0.176 nan 8.310 nan 0.000 0.515 519 L N 1.979 123.361 121.223 0.264 0.000 2.081 519 L HA -0.111 4.230 4.340 0.002 0.000 0.212 519 L C 2.392 179.496 176.870 0.389 0.000 1.080 519 L CA 2.495 57.593 54.840 0.429 0.000 0.754 519 L CB -1.152 41.017 42.059 0.182 0.000 0.893 519 L HN 1.043 nan 8.230 nan 0.000 0.433 520 E N -0.695 119.653 120.200 0.246 0.000 2.038 520 E HA -0.279 4.073 4.350 0.002 0.000 0.195 520 E C 1.712 178.427 176.600 0.191 0.000 1.000 520 E CA 1.770 58.282 56.400 0.188 0.000 0.803 520 E CB -0.200 29.578 29.700 0.130 0.000 0.750 520 E HN 0.563 nan 8.360 nan 0.000 0.448 521 D N -0.027 120.510 120.400 0.227 0.000 2.178 521 D HA -0.156 4.485 4.640 0.002 0.000 0.201 521 D C 1.839 178.263 176.300 0.206 0.000 0.980 521 D CA 1.043 55.184 54.000 0.235 0.000 0.842 521 D CB -0.206 40.776 40.800 0.303 0.000 0.948 521 D HN 0.233 nan 8.370 nan 0.000 0.472 522 M N 0.702 120.492 119.600 0.317 0.000 2.132 522 M HA -0.103 4.378 4.480 0.002 0.000 0.263 522 M C 1.125 177.497 176.300 0.121 0.000 1.065 522 M CA 1.416 56.888 55.300 0.286 0.000 1.122 522 M CB -0.169 32.723 32.600 0.487 0.000 1.365 522 M HN -0.232 nan 8.290 nan 0.000 0.411 523 D N 0.049 120.570 120.400 0.202 0.000 2.117 523 D HA -0.200 4.441 4.640 0.002 0.000 0.197 523 D C 1.856 178.097 176.300 -0.099 0.000 0.987 523 D CA 1.214 55.252 54.000 0.063 0.000 0.829 523 D CB -0.330 40.569 40.800 0.165 0.000 0.961 523 D HN 0.467 nan 8.370 nan 0.000 0.460 524 K N -0.297 120.040 120.400 -0.105 0.000 2.288 524 K HA -0.126 4.195 4.320 0.002 0.000 0.201 524 K C 0.993 177.279 176.600 -0.523 0.000 1.048 524 K CA 1.050 57.178 56.287 -0.265 0.000 0.956 524 K CB 0.109 32.466 32.500 -0.238 0.000 0.746 524 K HN 0.223 nan 8.250 nan 0.000 0.461 525 H N -1.273 117.483 119.070 -0.524 0.000 2.885 525 H HA 0.197 4.754 4.556 0.002 0.000 0.260 525 H C -0.786 174.173 175.328 -0.615 0.000 0.985 525 H CA -0.408 55.160 56.048 -0.799 0.000 1.210 525 H CB 0.701 29.317 29.762 -1.910 0.000 1.466 525 H HN -0.033 nan 8.280 nan 0.000 0.493 526 L N 2.727 123.748 121.223 -0.336 0.000 2.292 526 L HA 0.351 4.692 4.340 0.002 0.000 0.284 526 L C -2.346 174.344 176.870 -0.300 0.000 1.065 526 L CA -2.320 52.363 54.840 -0.262 0.000 0.806 526 L CB 0.886 42.773 42.059 -0.286 0.000 1.175 526 L HN -0.097 nan 8.230 nan 0.000 0.431 527 P HA 0.108 nan 4.420 nan 0.000 0.271 527 P C 0.470 177.600 177.300 -0.284 0.000 1.218 527 P CA -0.105 62.859 63.100 -0.225 0.000 0.780 527 P CB 0.733 32.332 31.700 -0.169 0.000 0.901 528 S N 1.936 117.487 115.700 -0.248 0.000 2.374 528 S HA -0.179 4.292 4.470 0.002 0.000 0.227 528 S C 2.170 176.631 174.600 -0.232 0.000 1.037 528 S CA 1.669 59.718 58.200 -0.252 0.000 1.024 528 S CB -1.784 61.311 63.200 -0.175 0.000 0.861 528 S HN 0.544 nan 8.310 nan 0.000 0.456 529 G N 1.773 110.458 108.800 -0.191 0.000 2.476 529 G HA2 -0.122 3.839 3.960 0.002 0.000 0.218 529 G HA3 -0.122 3.839 3.960 0.002 0.000 0.218 529 G C 1.477 176.253 174.900 -0.206 0.000 1.164 529 G CA 1.113 46.111 45.100 -0.170 0.000 0.768 529 G HN 0.595 nan 8.290 nan 0.000 0.560 530 I N 0.091 120.511 120.570 -0.251 0.000 2.252 530 I HA -0.101 4.070 4.170 0.002 0.000 0.245 530 I C 2.813 178.720 176.117 -0.349 0.000 1.102 530 I CA 1.030 62.151 61.300 -0.297 0.000 1.385 530 I CB -0.180 37.649 38.000 -0.284 0.000 1.064 530 I HN 0.123 nan 8.210 nan 0.000 0.414 531 K N 0.750 120.875 120.400 -0.459 0.000 2.063 531 K HA -0.191 4.130 4.320 0.002 0.000 0.208 531 K C 2.247 178.731 176.600 -0.194 0.000 1.048 531 K CA 1.535 57.471 56.287 -0.586 0.000 0.928 531 K CB -0.115 31.815 32.500 -0.951 0.000 0.713 531 K HN 0.259 nan 8.250 nan 0.000 0.442 532 R N -0.184 120.215 120.500 -0.169 0.000 2.092 532 R HA -0.045 4.296 4.340 0.002 0.000 0.231 532 R C 2.372 178.624 176.300 -0.079 0.000 1.119 532 R CA 1.602 57.658 56.100 -0.073 0.000 0.970 532 R CB -0.447 29.808 30.300 -0.075 0.000 0.864 532 R HN 0.131 nan 8.270 nan 0.000 0.440 533 T N 1.284 115.759 114.554 -0.131 0.000 2.708 533 T HA -0.083 4.268 4.350 0.002 0.000 0.266 533 T C 1.884 176.504 174.700 -0.133 0.000 1.037 533 T CA 1.196 63.218 62.100 -0.129 0.000 1.146 533 T CB -0.161 68.602 68.868 -0.176 0.000 0.865 533 T HN 0.114 nan 8.240 nan 0.000 0.435 534 I N 1.250 121.704 120.570 -0.194 0.000 2.163 534 I HA -0.219 3.952 4.170 0.002 0.000 0.243 534 I C 2.896 178.833 176.117 -0.301 0.000 1.085 534 I CA 1.316 62.460 61.300 -0.260 0.000 1.347 534 I CB -0.443 37.321 38.000 -0.393 0.000 1.044 534 I HN 0.211 nan 8.210 nan 0.000 0.408 535 A N 0.734 123.415 122.820 -0.232 0.000 1.873 535 A HA -0.171 4.150 4.320 0.002 0.000 0.215 535 A C 2.073 179.693 177.584 0.061 0.000 1.186 535 A CA 1.634 53.640 52.037 -0.053 0.000 0.616 535 A CB -0.630 18.447 19.000 0.128 0.000 0.823 535 A HN 0.400 nan 8.150 nan 0.000 0.442 536 N N 0.091 118.806 118.700 0.026 0.000 2.244 536 N HA -0.088 4.653 4.740 0.002 0.000 0.183 536 N C 1.088 176.620 175.510 0.036 0.000 1.016 536 N CA 1.156 54.226 53.050 0.034 0.000 0.866 536 N CB -0.197 38.296 38.487 0.010 0.000 0.980 536 N HN 0.536 nan 8.380 nan 0.000 0.430 537 K N 0.965 121.379 120.400 0.023 0.000 2.417 537 K HA 0.145 4.467 4.320 0.002 0.000 0.196 537 K C -0.245 176.403 176.600 0.080 0.000 1.023 537 K CA -0.068 56.241 56.287 0.038 0.000 1.122 537 K CB 0.353 32.862 32.500 0.015 0.000 0.850 537 K HN 0.049 nan 8.250 nan 0.000 0.521 538 K N 1.410 121.881 120.400 0.118 0.000 3.071 538 K HA -0.190 4.131 4.320 0.002 0.000 0.262 538 K C -0.441 176.295 176.600 0.226 0.000 0.977 538 K CA 0.342 56.750 56.287 0.202 0.000 0.721 538 K CB -1.862 30.727 32.500 0.148 0.000 1.293 538 K HN 0.261 nan 8.250 nan 0.000 0.475 539 L N 0.868 122.215 121.223 0.207 0.000 2.439 539 L HA 0.096 4.437 4.340 0.002 0.000 0.269 539 L C 0.861 177.959 176.870 0.379 0.000 1.179 539 L CA -0.047 54.939 54.840 0.243 0.000 0.828 539 L CB 0.320 42.490 42.059 0.186 0.000 1.106 539 L HN 0.076 nan 8.230 nan 0.000 0.467 540 K N 2.899 123.518 120.400 0.365 0.000 2.250 540 K HA 0.233 4.554 4.320 0.002 0.000 0.285 540 K C -0.812 176.097 176.600 0.515 0.000 1.097 540 K CA -0.246 56.267 56.287 0.377 0.000 0.913 540 K CB 0.408 33.149 32.500 0.402 0.000 1.179 540 K HN 0.216 nan 8.250 nan 0.000 0.462 541 F N 3.947 124.052 119.950 0.258 0.000 2.410 541 F HA 0.323 4.851 4.527 0.002 0.000 0.349 541 F C -1.120 174.720 175.800 0.067 0.000 1.117 541 F CA -1.191 56.964 58.000 0.258 0.000 1.104 541 F CB 0.493 39.691 39.000 0.329 0.000 1.122 541 F HN 0.324 nan 8.300 nan 0.000 0.483 542 Y N 4.060 124.161 120.300 -0.332 0.000 2.391 542 Y HA 0.326 4.877 4.550 0.002 0.000 0.341 542 Y C -0.334 175.162 175.900 -0.674 0.000 0.965 542 Y CA -1.240 56.617 58.100 -0.406 0.000 1.067 542 Y CB 1.611 39.996 38.460 -0.125 0.000 1.199 542 Y HN 0.609 nan 8.280 nan 0.000 0.450 543 N N 3.034 121.493 118.700 -0.403 0.000 2.362 543 N HA 0.666 5.407 4.740 0.002 0.000 0.298 543 N C -1.761 173.691 175.510 -0.096 0.000 1.048 543 N CA -0.488 52.371 53.050 -0.318 0.000 0.858 543 N CB 1.158 39.481 38.487 -0.272 0.000 1.218 543 N HN 0.735 nan 8.380 nan 0.000 0.488 544 I N 1.716 122.228 120.570 -0.098 0.000 2.569 544 I HA 0.264 4.435 4.170 0.002 0.000 0.290 544 I C -1.169 174.894 176.117 -0.090 0.000 1.088 544 I CA -0.694 60.574 61.300 -0.054 0.000 1.047 544 I CB 1.622 39.610 38.000 -0.020 0.000 1.237 544 I HN 0.530 nan 8.210 nan 0.000 0.421 545 D N 6.600 126.956 120.400 -0.075 0.000 2.619 545 D HA 0.270 4.911 4.640 0.002 0.000 0.224 545 D C 1.109 177.359 176.300 -0.084 0.000 1.133 545 D CA 0.326 54.266 54.000 -0.101 0.000 1.017 545 D CB 1.018 41.773 40.800 -0.075 0.000 1.077 545 D HN 0.672 nan 8.370 nan 0.000 0.503 546 A N 1.941 124.706 122.820 -0.092 0.000 1.917 546 A HA -0.195 4.126 4.320 0.002 0.000 0.219 546 A C 2.296 179.837 177.584 -0.071 0.000 1.182 546 A CA 1.429 53.420 52.037 -0.077 0.000 0.633 546 A CB -0.405 18.540 19.000 -0.092 0.000 0.819 546 A HN 0.418 nan 8.150 nan 0.000 0.448 547 V N 0.311 120.176 119.914 -0.083 0.000 2.295 547 V HA -0.296 3.825 4.120 0.002 0.000 0.246 547 V C 2.538 178.600 176.094 -0.054 0.000 1.049 547 V CA 2.466 64.725 62.300 -0.068 0.000 1.024 547 V CB -0.741 31.036 31.823 -0.076 0.000 0.648 547 V HN 0.756 nan 8.190 nan 0.000 0.447 548 K N 0.318 120.685 120.400 -0.055 0.000 1.985 548 K HA -0.179 4.142 4.320 0.002 0.000 0.210 548 K C 2.166 178.745 176.600 -0.035 0.000 1.047 548 K CA 2.022 58.285 56.287 -0.040 0.000 0.932 548 K CB -0.338 32.140 32.500 -0.037 0.000 0.716 548 K HN 0.394 nan 8.250 nan 0.000 0.439 549 I N 1.345 121.893 120.570 -0.036 0.000 2.151 549 I HA -0.310 3.861 4.170 0.002 0.000 0.243 549 I C 2.589 178.685 176.117 -0.036 0.000 1.080 549 I CA 1.421 62.702 61.300 -0.032 0.000 1.339 549 I CB -0.471 37.511 38.000 -0.030 0.000 1.039 549 I HN 0.358 nan 8.210 nan 0.000 0.409 550 A N 0.104 122.900 122.820 -0.041 0.000 1.933 550 A HA -0.210 4.111 4.320 0.002 0.000 0.218 550 A C 2.369 179.930 177.584 -0.039 0.000 1.175 550 A CA 2.468 54.479 52.037 -0.043 0.000 0.628 550 A CB -1.035 17.940 19.000 -0.043 0.000 0.814 550 A HN 0.407 nan 8.150 nan 0.000 0.444 551 T N 0.132 114.665 114.554 -0.034 0.000 2.777 551 T HA -0.106 4.245 4.350 0.002 0.000 0.266 551 T C 1.491 176.175 174.700 -0.027 0.000 1.040 551 T CA 1.485 63.569 62.100 -0.028 0.000 1.141 551 T CB -0.396 68.457 68.868 -0.025 0.000 0.868 551 T HN 0.465 nan 8.240 nan 0.000 0.444 552 D N 1.207 121.591 120.400 -0.027 0.000 2.144 552 D HA -0.080 4.561 4.640 0.002 0.000 0.199 552 D C 2.134 178.417 176.300 -0.028 0.000 0.984 552 D CA 1.015 55.000 54.000 -0.024 0.000 0.834 552 D CB -0.423 40.365 40.800 -0.021 0.000 0.955 552 D HN 0.445 nan 8.370 nan 0.000 0.465 553 V N -3.148 116.745 119.914 -0.035 0.000 3.623 553 V HA 0.439 4.560 4.120 0.002 0.000 0.271 553 V C 1.454 177.520 176.094 -0.048 0.000 1.248 553 V CA 0.742 63.016 62.300 -0.043 0.000 1.156 553 V CB -0.142 31.650 31.823 -0.053 0.000 0.870 553 V HN 0.247 nan 8.190 nan 0.000 0.453 554 G N 0.771 109.547 108.800 -0.041 0.000 2.175 554 G HA2 -0.239 3.722 3.960 0.002 0.000 0.244 554 G HA3 -0.239 3.722 3.960 0.002 0.000 0.244 554 G C 0.372 175.245 174.900 -0.044 0.000 0.982 554 G CA 0.279 45.356 45.100 -0.039 0.000 0.641 554 G HN 0.540 nan 8.290 nan 0.000 0.527 555 L N 1.088 122.281 121.223 -0.050 0.000 2.627 555 L HA 0.378 4.720 4.340 0.002 0.000 0.232 555 L C 1.998 178.848 176.870 -0.032 0.000 1.150 555 L CA 0.397 55.207 54.840 -0.050 0.000 0.917 555 L CB -0.370 41.650 42.059 -0.064 0.000 1.104 555 L HN 0.763 nan 8.230 nan 0.000 0.445 556 G N 0.742 109.526 108.800 -0.028 0.000 2.395 556 G HA2 -0.225 3.736 3.960 0.002 0.000 0.300 556 G HA3 -0.225 3.736 3.960 0.002 0.000 0.300 556 G C 1.081 175.969 174.900 -0.020 0.000 0.998 556 G CA 0.538 45.626 45.100 -0.020 0.000 1.046 556 G HN 0.699 nan 8.290 nan 0.000 0.513 557 G N -1.448 107.337 108.800 -0.026 0.000 2.205 557 G HA2 -0.303 3.658 3.960 0.002 0.000 0.261 557 G HA3 -0.303 3.658 3.960 0.002 0.000 0.261 557 G C 0.675 175.559 174.900 -0.026 0.000 0.980 557 G CA 0.614 45.697 45.100 -0.028 0.000 0.632 557 G HN 0.920 nan 8.290 nan 0.000 0.533 558 R N 0.946 121.434 120.500 -0.021 0.000 2.404 558 R HA 0.304 4.645 4.340 0.002 0.000 0.315 558 R C 1.914 178.199 176.300 -0.025 0.000 1.032 558 R CA 0.299 56.391 56.100 -0.014 0.000 0.992 558 R CB 0.009 30.307 30.300 -0.003 0.000 0.959 558 R HN 0.734 nan 8.270 nan 0.000 0.428 559 I N 0.532 121.084 120.570 -0.029 0.000 3.419 559 I HA -0.087 4.084 4.170 0.002 0.000 0.286 559 I C 1.276 177.363 176.117 -0.050 0.000 1.268 559 I CA 0.304 61.573 61.300 -0.051 0.000 1.414 559 I CB -0.173 37.782 38.000 -0.075 0.000 1.074 559 I HN 0.378 nan 8.210 nan 0.000 0.457 560 N N 2.115 120.805 118.700 -0.016 0.000 2.060 560 N HA -0.325 4.416 4.740 0.002 0.000 0.195 560 N C 1.748 177.269 175.510 0.018 0.000 1.028 560 N CA 2.209 55.264 53.050 0.008 0.000 0.861 560 N CB -0.596 37.918 38.487 0.044 0.000 1.029 560 N HN 0.304 nan 8.380 nan 0.000 0.428 561 M N -0.307 119.300 119.600 0.012 0.000 2.175 561 M HA 0.113 4.594 4.480 0.002 0.000 0.264 561 M C 1.455 177.762 176.300 0.012 0.000 1.063 561 M CA 1.129 56.435 55.300 0.011 0.000 1.119 561 M CB -0.347 32.230 32.600 -0.039 0.000 1.377 561 M HN 0.250 nan 8.290 nan 0.000 0.415 562 I N -0.336 120.228 120.570 -0.011 0.000 2.179 562 I HA -0.301 3.870 4.170 0.002 0.000 0.242 562 I C 2.063 178.194 176.117 0.023 0.000 1.088 562 I CA 1.317 62.614 61.300 -0.005 0.000 1.357 562 I CB -0.708 37.273 38.000 -0.031 0.000 1.051 562 I HN 0.258 nan 8.210 nan 0.000 0.409 563 M N -0.539 119.045 119.600 -0.026 0.000 2.296 563 M HA -0.176 4.305 4.480 0.002 0.000 0.265 563 M C 2.274 178.703 176.300 0.216 0.000 1.064 563 M CA 1.386 56.676 55.300 -0.017 0.000 1.109 563 M CB -1.366 30.953 32.600 -0.468 0.000 1.396 563 M HN 0.291 nan 8.290 nan 0.000 0.430 564 Q N 0.303 120.225 119.800 0.203 0.000 2.119 564 Q HA -0.076 4.265 4.340 0.002 0.000 0.201 564 Q C 1.785 178.050 176.000 0.442 0.000 0.972 564 Q CA 2.101 58.112 55.803 0.346 0.000 0.847 564 Q CB -0.317 28.566 28.738 0.242 0.000 0.903 564 Q HN 0.463 nan 8.270 nan 0.000 0.433 565 T N 0.301 115.002 114.554 0.245 0.000 2.777 565 T HA -0.073 4.278 4.350 0.002 0.000 0.266 565 T C 1.732 176.563 174.700 0.218 0.000 1.040 565 T CA 1.209 63.424 62.100 0.191 0.000 1.141 565 T CB -0.599 68.318 68.868 0.082 0.000 0.868 565 T HN 0.470 nan 8.240 nan 0.000 0.444 566 A N 1.367 124.316 122.820 0.215 0.000 1.892 566 A HA -0.115 4.206 4.320 0.002 0.000 0.218 566 A C 2.018 179.736 177.584 0.224 0.000 1.188 566 A CA 1.768 53.927 52.037 0.203 0.000 0.631 566 A CB -1.027 18.122 19.000 0.248 0.000 0.822 566 A HN 0.522 nan 8.150 nan 0.000 0.447 567 F N -0.613 119.451 119.950 0.191 0.000 2.075 567 F HA -0.116 4.412 4.527 0.002 0.000 0.297 567 F C 1.913 177.610 175.800 -0.173 0.000 1.113 567 F CA 1.693 59.640 58.000 -0.088 0.000 1.218 567 F CB -0.555 38.517 39.000 0.120 0.000 0.984 567 F HN 0.183 nan 8.300 nan 0.000 0.472 568 F N 0.933 120.722 119.950 -0.270 0.000 2.202 568 F HA -0.155 4.373 4.527 0.002 0.000 0.301 568 F C 2.554 178.166 175.800 -0.313 0.000 1.082 568 F CA 1.951 59.727 58.000 -0.374 0.000 1.313 568 F CB -0.469 38.471 39.000 -0.100 0.000 1.024 568 F HN -0.007 nan 8.300 nan 0.000 0.495 569 K N 0.029 120.427 120.400 -0.004 0.000 2.211 569 K HA 0.032 4.353 4.320 0.002 0.000 0.201 569 K C 1.551 178.125 176.600 -0.044 0.000 1.052 569 K CA 0.811 57.125 56.287 0.045 0.000 0.973 569 K CB 0.159 32.737 32.500 0.130 0.000 0.766 569 K HN 0.288 nan 8.250 nan 0.000 0.466 570 L N -0.616 120.514 121.223 -0.155 0.000 2.672 570 L HA 0.267 4.608 4.340 0.002 0.000 0.236 570 L C 2.029 178.796 176.870 -0.172 0.000 1.092 570 L CA 0.186 54.942 54.840 -0.140 0.000 0.887 570 L CB 0.254 42.221 42.059 -0.153 0.000 1.168 570 L HN 0.027 nan 8.230 nan 0.000 0.502 571 A N 0.533 123.036 122.820 -0.529 0.000 2.172 571 A HA 0.134 4.455 4.320 0.002 0.000 0.216 571 A C 1.887 179.300 177.584 -0.285 0.000 1.154 571 A CA 1.070 52.748 52.037 -0.597 0.000 0.701 571 A CB -0.677 17.628 19.000 -1.158 0.000 0.789 571 A HN 0.545 nan 8.150 nan 0.000 0.465 572 G N -2.159 106.497 108.800 -0.240 0.000 2.153 572 G HA2 -0.275 3.686 3.960 0.002 0.000 0.252 572 G HA3 -0.275 3.686 3.960 0.002 0.000 0.252 572 G C 0.844 175.651 174.900 -0.154 0.000 0.994 572 G CA 0.602 45.628 45.100 -0.124 0.000 0.698 572 G HN 0.673 nan 8.290 nan 0.000 0.521 573 V N -0.402 119.327 119.914 -0.307 0.000 2.379 573 V HA 0.313 4.434 4.120 0.002 0.000 0.243 573 V C 1.567 177.520 176.094 -0.234 0.000 1.035 573 V CA 1.815 63.929 62.300 -0.310 0.000 1.035 573 V CB -0.108 31.350 31.823 -0.609 0.000 0.673 573 V HN 0.392 nan 8.190 nan 0.000 0.457 574 L N 0.675 121.750 121.223 -0.246 0.000 2.323 574 L HA 0.507 4.848 4.340 0.002 0.000 0.265 574 L C -2.467 174.361 176.870 -0.070 0.000 1.012 574 L CA -1.827 52.933 54.840 -0.134 0.000 0.820 574 L CB 1.839 43.829 42.059 -0.115 0.000 1.334 574 L HN 0.052 nan 8.230 nan 0.000 0.427 575 P HA 0.085 nan 4.420 nan 0.000 0.278 575 P C 0.610 177.940 177.300 0.051 0.000 1.238 575 P CA -0.415 62.704 63.100 0.032 0.000 0.794 575 P CB 0.967 32.688 31.700 0.034 0.000 0.955 576 F N 2.598 122.535 119.950 -0.021 0.000 2.048 576 F HA -0.315 4.213 4.527 0.002 0.000 0.296 576 F C 2.051 177.849 175.800 -0.003 0.000 1.109 576 F CA 2.149 60.142 58.000 -0.011 0.000 1.214 576 F CB -0.245 38.752 39.000 -0.007 0.000 0.963 576 F HN 0.401 nan 8.300 nan 0.000 0.491 577 E N -0.132 120.014 120.200 -0.089 0.000 2.077 577 E HA -0.276 4.075 4.350 0.002 0.000 0.193 577 E C 2.188 178.669 176.600 -0.198 0.000 0.989 577 E CA 1.461 57.746 56.400 -0.191 0.000 0.800 577 E CB -0.345 29.366 29.700 0.018 0.000 0.746 577 E HN 0.482 nan 8.360 nan 0.000 0.452 578 K N 0.936 121.271 120.400 -0.108 0.000 2.057 578 K HA -0.109 4.212 4.320 0.002 0.000 0.206 578 K C 2.206 178.751 176.600 -0.092 0.000 1.050 578 K CA 0.992 57.232 56.287 -0.078 0.000 0.935 578 K CB -0.089 32.391 32.500 -0.035 0.000 0.715 578 K HN 0.069 nan 8.250 nan 0.000 0.439 579 A N 0.737 123.494 122.820 -0.105 0.000 1.859 579 A HA -0.175 4.146 4.320 0.002 0.000 0.217 579 A C 2.238 179.722 177.584 -0.167 0.000 1.198 579 A CA 2.135 54.162 52.037 -0.016 0.000 0.629 579 A CB -0.940 18.043 19.000 -0.029 0.000 0.830 579 A HN 0.172 nan 8.150 nan 0.000 0.446 580 V N 0.614 120.310 119.914 -0.363 0.000 2.343 580 V HA -0.246 3.875 4.120 0.002 0.000 0.247 580 V C 2.372 178.310 176.094 -0.261 0.000 1.051 580 V CA 2.388 64.469 62.300 -0.366 0.000 1.036 580 V CB -0.989 30.532 31.823 -0.503 0.000 0.654 580 V HN 0.721 nan 8.190 nan 0.000 0.451 581 D N 0.613 120.884 120.400 -0.215 0.000 2.103 581 D HA -0.201 4.440 4.640 0.002 0.000 0.190 581 D C 2.026 178.253 176.300 -0.122 0.000 0.997 581 D CA 1.815 55.733 54.000 -0.136 0.000 0.833 581 D CB -0.317 40.421 40.800 -0.103 0.000 0.961 581 D HN 0.355 nan 8.370 nan 0.000 0.447 582 L N 0.022 121.174 121.223 -0.119 0.000 2.131 582 L HA -0.129 4.212 4.340 0.002 0.000 0.210 582 L C 2.727 179.470 176.870 -0.211 0.000 1.092 582 L CA 0.466 55.247 54.840 -0.098 0.000 0.759 582 L CB -0.372 41.685 42.059 -0.003 0.000 0.903 582 L HN 0.252 nan 8.230 nan 0.000 0.435 583 L N -0.320 120.661 121.223 -0.404 0.000 2.023 583 L HA -0.180 4.161 4.340 0.002 0.000 0.205 583 L C 2.788 179.503 176.870 -0.258 0.000 1.073 583 L CA 1.293 55.803 54.840 -0.549 0.000 0.745 583 L CB -0.231 41.395 42.059 -0.722 0.000 0.900 583 L HN 0.221 nan 8.230 nan 0.000 0.435 584 K N 0.066 120.357 120.400 -0.182 0.000 2.103 584 K HA -0.181 4.140 4.320 0.002 0.000 0.207 584 K C 1.989 178.611 176.600 0.037 0.000 1.048 584 K CA 1.021 57.264 56.287 -0.073 0.000 0.930 584 K CB -0.274 32.206 32.500 -0.034 0.000 0.716 584 K HN 0.272 nan 8.250 nan 0.000 0.444 585 K N 0.935 121.339 120.400 0.007 0.000 1.991 585 K HA -0.127 4.194 4.320 0.002 0.000 0.212 585 K C 2.353 178.991 176.600 0.063 0.000 1.049 585 K CA 1.904 58.219 56.287 0.047 0.000 0.932 585 K CB -0.744 31.751 32.500 -0.008 0.000 0.717 585 K HN 0.297 nan 8.250 nan 0.000 0.441 586 S N 1.378 117.080 115.700 0.003 0.000 2.370 586 S HA -0.159 4.312 4.470 0.002 0.000 0.226 586 S C 2.252 176.884 174.600 0.052 0.000 1.033 586 S CA 1.320 59.529 58.200 0.017 0.000 1.011 586 S CB -0.794 62.400 63.200 -0.009 0.000 0.852 586 S HN 0.254 nan 8.310 nan 0.000 0.457 587 I N 1.559 122.149 120.570 0.033 0.000 2.194 587 I HA -0.268 3.903 4.170 0.002 0.000 0.246 587 I C 2.678 178.833 176.117 0.065 0.000 1.093 587 I CA 2.096 63.439 61.300 0.072 0.000 1.355 587 I CB -0.504 37.431 38.000 -0.108 0.000 1.046 587 I HN 0.398 nan 8.210 nan 0.000 0.413 588 H N 0.038 119.137 119.070 0.049 0.000 2.395 588 H HA -0.132 4.425 4.556 0.002 0.000 0.299 588 H C 2.252 177.600 175.328 0.033 0.000 1.070 588 H CA 1.428 57.498 56.048 0.037 0.000 1.356 588 H CB 0.061 29.824 29.762 0.002 0.000 1.401 588 H HN 0.205 nan 8.280 nan 0.000 0.524 589 K N 1.187 121.669 120.400 0.137 0.000 1.965 589 K HA -0.091 4.230 4.320 0.002 0.000 0.218 589 K C 1.300 177.917 176.600 0.028 0.000 1.048 589 K CA 1.025 57.348 56.287 0.060 0.000 0.960 589 K CB -0.328 32.191 32.500 0.031 0.000 0.732 589 K HN 0.212 nan 8.250 nan 0.000 0.444 590 A N -0.017 122.799 122.820 -0.006 0.000 2.275 590 A HA 0.173 4.494 4.320 0.002 0.000 0.276 590 A C -0.068 177.479 177.584 -0.060 0.000 1.232 590 A CA 0.318 52.279 52.037 -0.127 0.000 0.814 590 A CB -0.560 18.291 19.000 -0.248 0.000 1.145 590 A HN 0.506 nan 8.150 nan 0.000 0.508 591 Y N -1.995 118.286 120.300 -0.031 0.000 1.748 591 Y HA -0.278 4.273 4.550 0.001 0.000 0.221 591 Y C 2.039 177.925 175.900 -0.024 0.000 0.741 591 Y CA 1.781 59.857 58.100 -0.040 0.000 1.178 591 Y CB -1.621 36.796 38.460 -0.071 0.000 0.716 591 Y HN 2.056 nan 8.280 nan 0.000 0.796 592 G N -0.052 108.854 108.800 0.176 0.000 2.256 592 G HA2 -0.406 3.555 3.960 0.002 0.000 0.279 592 G HA3 -0.406 3.555 3.960 0.002 0.000 0.279 592 G C 0.697 175.642 174.900 0.074 0.000 0.998 592 G CA 1.310 46.478 45.100 0.112 0.000 0.720 592 G HN 0.728 nan 8.290 nan 0.000 0.521 593 K N -0.776 119.661 120.400 0.063 0.000 2.706 593 K HA 0.350 4.671 4.320 0.002 0.000 0.203 593 K C 0.946 177.567 176.600 0.035 0.000 1.102 593 K CA -0.093 56.212 56.287 0.029 0.000 1.058 593 K CB 0.191 32.691 32.500 -0.000 0.000 0.779 593 K HN 0.254 nan 8.250 nan 0.000 0.483 594 K N -0.331 120.104 120.400 0.057 0.000 2.603 594 K HA 0.196 4.517 4.320 0.002 0.000 0.195 594 K C -0.226 176.398 176.600 0.040 0.000 1.213 594 K CA 0.080 56.399 56.287 0.055 0.000 1.084 594 K CB 1.851 34.408 32.500 0.096 0.000 0.981 594 K HN 0.314 nan 8.250 nan 0.000 0.577 595 G N 1.562 110.384 108.800 0.036 0.000 2.756 595 G HA2 -0.243 3.718 3.960 0.002 0.000 0.678 595 G HA3 -0.243 3.718 3.960 0.002 0.000 0.678 595 G C 0.064 174.975 174.900 0.019 0.000 1.349 595 G CA -0.409 44.706 45.100 0.024 0.000 0.847 595 G HN 0.118 nan 8.290 nan 0.000 0.548 596 E N 0.054 120.261 120.200 0.013 0.000 2.107 596 E HA 0.010 4.361 4.350 0.002 0.000 0.191 596 E C 2.412 178.996 176.600 -0.028 0.000 0.982 596 E CA 1.366 57.768 56.400 0.003 0.000 0.809 596 E CB -0.103 29.605 29.700 0.014 0.000 0.756 596 E HN 0.589 nan 8.360 nan 0.000 0.459 597 K N 0.597 120.984 120.400 -0.022 0.000 2.032 597 K HA -0.225 4.096 4.320 0.002 0.000 0.218 597 K C 1.854 178.416 176.600 -0.063 0.000 1.054 597 K CA 1.673 57.939 56.287 -0.035 0.000 0.941 597 K CB -0.157 32.329 32.500 -0.023 0.000 0.720 597 K HN 0.071 nan 8.250 nan 0.000 0.449 598 I N 0.852 121.386 120.570 -0.060 0.000 2.202 598 I HA -0.218 3.953 4.170 0.002 0.000 0.242 598 I C 2.450 178.444 176.117 -0.204 0.000 1.091 598 I CA 1.000 62.236 61.300 -0.106 0.000 1.368 598 I CB -0.985 36.994 38.000 -0.035 0.000 1.058 598 I HN 0.063 nan 8.210 nan 0.000 0.410 599 V N 1.488 121.306 119.914 -0.161 0.000 2.287 599 V HA -0.290 3.831 4.120 0.002 0.000 0.248 599 V C 2.628 178.575 176.094 -0.244 0.000 1.053 599 V CA 2.078 64.233 62.300 -0.242 0.000 1.027 599 V CB -0.753 30.951 31.823 -0.197 0.000 0.646 599 V HN 0.347 nan 8.190 nan 0.000 0.447 600 K N 0.360 120.669 120.400 -0.151 0.000 2.097 600 K HA -0.121 4.200 4.320 0.002 0.000 0.206 600 K C 1.966 178.488 176.600 -0.129 0.000 1.049 600 K CA 1.845 58.062 56.287 -0.116 0.000 0.933 600 K CB -0.476 31.985 32.500 -0.065 0.000 0.717 600 K HN 0.421 nan 8.250 nan 0.000 0.442 601 M N 0.117 119.631 119.600 -0.143 0.000 2.117 601 M HA -0.127 4.354 4.480 0.002 0.000 0.262 601 M C 1.544 177.737 176.300 -0.179 0.000 1.065 601 M CA 1.962 57.178 55.300 -0.139 0.000 1.114 601 M CB -0.450 32.071 32.600 -0.132 0.000 1.361 601 M HN 0.191 nan 8.290 nan 0.000 0.408 602 N N -0.291 118.247 118.700 -0.270 0.000 2.270 602 N HA -0.102 4.639 4.740 0.002 0.000 0.181 602 N C 1.731 177.112 175.510 -0.214 0.000 1.016 602 N CA 1.840 54.711 53.050 -0.299 0.000 0.870 602 N CB -0.189 37.982 38.487 -0.527 0.000 0.979 602 N HN 0.438 nan 8.380 nan 0.000 0.431 603 T N -1.701 112.732 114.554 -0.202 0.000 2.857 603 T HA -0.035 4.316 4.350 0.002 0.000 0.266 603 T C 1.217 175.858 174.700 -0.098 0.000 1.048 603 T CA 0.975 62.987 62.100 -0.146 0.000 1.139 603 T CB -0.250 68.539 68.868 -0.132 0.000 0.874 603 T HN -0.039 nan 8.240 nan 0.000 0.455 604 D N 1.906 122.250 120.400 -0.093 0.000 2.218 604 D HA 0.100 4.741 4.640 0.002 0.000 0.204 604 D C 2.335 178.600 176.300 -0.059 0.000 0.976 604 D CA 1.167 55.129 54.000 -0.064 0.000 0.853 604 D CB -0.480 40.283 40.800 -0.061 0.000 0.939 604 D HN 0.573 nan 8.370 nan 0.000 0.481 605 A N 0.358 123.131 122.820 -0.079 0.000 1.872 605 A HA -0.105 4.216 4.320 0.002 0.000 0.214 605 A C 2.503 180.059 177.584 -0.047 0.000 1.187 605 A CA 1.022 53.019 52.037 -0.066 0.000 0.614 605 A CB -0.754 18.194 19.000 -0.086 0.000 0.826 605 A HN 0.119 nan 8.150 nan 0.000 0.442 606 V N 0.885 120.763 119.914 -0.060 0.000 2.255 606 V HA -0.300 3.821 4.120 0.002 0.000 0.247 606 V C 2.286 178.371 176.094 -0.015 0.000 1.051 606 V CA 2.469 64.742 62.300 -0.044 0.000 1.018 606 V CB -0.921 30.854 31.823 -0.080 0.000 0.641 606 V HN 0.508 nan 8.190 nan 0.000 0.445 607 D N -0.604 119.785 120.400 -0.019 0.000 2.106 607 D HA -0.223 4.418 4.640 0.002 0.000 0.191 607 D C 2.210 178.520 176.300 0.016 0.000 0.997 607 D CA 1.758 55.762 54.000 0.006 0.000 0.834 607 D CB -0.329 40.469 40.800 -0.003 0.000 0.956 607 D HN 0.416 nan 8.370 nan 0.000 0.448 608 Q N 0.703 120.503 119.800 0.000 0.000 2.084 608 Q HA -0.051 4.290 4.340 0.002 0.000 0.202 608 Q C 1.887 177.896 176.000 0.015 0.000 0.978 608 Q CA 1.965 57.770 55.803 0.003 0.000 0.844 608 Q CB -0.581 28.151 28.738 -0.010 0.000 0.898 608 Q HN 0.213 nan 8.270 nan 0.000 0.426 609 A N -0.671 122.157 122.820 0.014 0.000 1.877 609 A HA -0.129 4.192 4.320 0.002 0.000 0.216 609 A C 2.313 179.930 177.584 0.055 0.000 1.186 609 A CA 1.661 53.715 52.037 0.028 0.000 0.620 609 A CB -0.907 18.108 19.000 0.026 0.000 0.822 609 A HN 0.263 nan 8.150 nan 0.000 0.443 610 V N -0.282 119.673 119.914 0.069 0.000 2.343 610 V HA -0.239 3.882 4.120 0.002 0.000 0.247 610 V C 2.759 178.908 176.094 0.093 0.000 1.051 610 V CA 2.509 64.879 62.300 0.116 0.000 1.036 610 V CB -1.163 30.762 31.823 0.169 0.000 0.654 610 V HN 0.617 nan 8.190 nan 0.000 0.451 611 T N -0.295 114.298 114.554 0.064 0.000 2.746 611 T HA -0.155 4.196 4.350 0.002 0.000 0.267 611 T C 1.921 176.644 174.700 0.038 0.000 1.039 611 T CA 1.948 64.073 62.100 0.042 0.000 1.142 611 T CB -0.193 68.691 68.868 0.026 0.000 0.866 611 T HN 0.519 nan 8.240 nan 0.000 0.444 612 S N 0.642 116.366 115.700 0.041 0.000 2.558 612 S HA 0.255 4.726 4.470 0.002 0.000 0.217 612 S C 0.645 175.288 174.600 0.072 0.000 0.975 612 S CA -0.003 58.222 58.200 0.041 0.000 0.912 612 S CB -0.118 63.097 63.200 0.026 0.000 0.776 612 S HN 0.345 nan 8.310 nan 0.000 0.526 613 L N 3.441 124.725 121.223 0.102 0.000 2.401 613 L HA 0.229 4.570 4.340 0.002 0.000 0.283 613 L C -0.136 176.898 176.870 0.273 0.000 1.151 613 L CA -0.052 54.899 54.840 0.185 0.000 0.942 613 L CB 0.001 42.135 42.059 0.124 0.000 1.283 613 L HN 0.106 nan 8.230 nan 0.000 0.442 614 Q N 2.107 122.044 119.800 0.228 0.000 2.413 614 Q HA 0.395 4.736 4.340 0.002 0.000 0.276 614 Q C -0.525 175.384 176.000 -0.151 0.000 1.099 614 Q CA -0.785 55.073 55.803 0.091 0.000 0.814 614 Q CB 2.071 30.808 28.738 -0.001 0.000 1.379 614 Q HN 0.394 nan 8.270 nan 0.000 0.436 615 E N 0.993 120.956 120.200 -0.395 0.000 2.414 615 E HA 0.020 4.372 4.350 0.002 0.000 0.263 615 E C -0.748 175.667 176.600 -0.308 0.000 1.000 615 E CA 0.187 56.208 56.400 -0.633 0.000 0.914 615 E CB 0.492 29.925 29.700 -0.445 0.000 0.948 615 E HN 0.320 nan 8.360 nan 0.000 0.444 616 F N 3.615 123.334 119.950 -0.384 0.000 2.424 616 F HA 0.109 4.637 4.527 0.002 0.000 0.356 616 F C 0.157 175.880 175.800 -0.128 0.000 1.110 616 F CA -0.710 57.162 58.000 -0.212 0.000 1.161 616 F CB 0.534 39.365 39.000 -0.281 0.000 1.115 616 F HN 0.049 nan 8.300 nan 0.000 0.507 617 K N 8.003 128.084 120.400 -0.531 0.000 2.273 617 K HA 0.088 4.409 4.320 0.002 0.000 0.287 617 K C -1.044 175.304 176.600 -0.420 0.000 1.089 617 K CA -0.136 55.877 56.287 -0.457 0.000 0.909 617 K CB -0.004 32.247 32.500 -0.414 0.000 1.123 617 K HN 0.616 nan 8.250 nan 0.000 0.473 618 Y N 1.591 121.744 120.300 -0.245 0.000 2.387 618 Y HA 0.600 5.151 4.550 0.002 0.000 0.330 618 Y C -2.161 173.412 175.900 -0.545 0.000 1.133 618 Y CA -3.299 54.428 58.100 -0.623 0.000 1.152 618 Y CB -0.132 37.697 38.460 -1.051 0.000 1.215 618 Y HN 0.375 nan 8.280 nan 0.000 0.466 619 P HA 0.111 nan 4.420 nan 0.000 0.274 619 P C -0.520 176.767 177.300 -0.023 0.000 1.237 619 P CA -0.105 62.879 63.100 -0.194 0.000 0.793 619 P CB 1.542 33.181 31.700 -0.103 0.000 0.977 620 D N -0.032 120.389 120.400 0.034 0.000 2.264 620 D HA -0.131 4.510 4.640 0.002 0.000 0.208 620 D C 1.806 178.197 176.300 0.153 0.000 0.966 620 D CA 1.283 55.347 54.000 0.108 0.000 0.864 620 D CB -0.044 40.792 40.800 0.061 0.000 0.933 620 D HN 0.346 nan 8.370 nan 0.000 0.499 621 S N -0.871 114.920 115.700 0.151 0.000 2.537 621 S HA -0.152 4.319 4.470 0.002 0.000 0.240 621 S C 1.501 176.286 174.600 0.308 0.000 0.981 621 S CA 0.091 58.404 58.200 0.189 0.000 0.948 621 S CB -0.546 62.754 63.200 0.165 0.000 0.759 621 S HN 0.352 nan 8.310 nan 0.000 0.531 622 W N 2.412 123.757 121.300 0.074 0.000 2.465 622 W HA 0.245 4.906 4.660 0.002 0.000 0.268 622 W C 2.096 178.609 176.519 -0.010 0.000 1.242 622 W CA -0.415 56.947 57.345 0.027 0.000 1.248 622 W CB -0.510 28.960 29.460 0.017 0.000 1.118 622 W HN 0.329 nan 8.180 nan 0.000 0.587 623 K N -0.050 120.490 120.400 0.233 0.000 2.228 623 K HA -0.200 4.121 4.320 0.002 0.000 0.205 623 K C -0.177 176.464 176.600 0.068 0.000 1.045 623 K CA 1.772 58.132 56.287 0.121 0.000 0.931 623 K CB -0.355 32.207 32.500 0.104 0.000 0.727 623 K HN 0.244 nan 8.250 nan 0.000 0.458 624 D N -1.614 118.829 120.400 0.073 0.000 3.060 624 D HA 0.222 4.863 4.640 0.002 0.000 0.326 624 D C -0.874 175.436 176.300 0.017 0.000 1.253 624 D CA -0.468 53.549 54.000 0.029 0.000 0.737 624 D CB 0.488 41.304 40.800 0.026 0.000 1.260 624 D HN 0.037 nan 8.370 nan 0.000 0.542 625 A N 1.958 124.773 122.820 -0.008 0.000 2.498 625 A HA 0.477 4.798 4.320 0.002 0.000 0.239 625 A C -1.728 175.817 177.584 -0.065 0.000 1.068 625 A CA -0.821 51.183 52.037 -0.054 0.000 0.766 625 A CB -0.006 18.886 19.000 -0.180 0.000 1.003 625 A HN 0.346 nan 8.150 nan 0.000 0.497 626 P HA 0.307 nan 4.420 nan 0.000 0.269 626 P C -0.252 177.001 177.300 -0.077 0.000 1.215 626 P CA 0.123 63.191 63.100 -0.055 0.000 0.780 626 P CB 0.854 32.528 31.700 -0.043 0.000 0.898 627 A N 2.057 124.836 122.820 -0.067 0.000 2.286 627 A HA 0.458 4.779 4.320 0.002 0.000 0.286 627 A C 0.418 177.960 177.584 -0.071 0.000 1.097 627 A CA -0.493 51.499 52.037 -0.075 0.000 0.821 627 A CB 0.168 19.130 19.000 -0.064 0.000 1.076 627 A HN 0.690 nan 8.150 nan 0.000 0.490 628 E N 0.093 120.247 120.200 -0.077 0.000 2.264 628 E HA 0.575 4.926 4.350 0.002 0.000 0.260 628 E C 0.428 176.992 176.600 -0.060 0.000 0.961 628 E CA -0.177 56.180 56.400 -0.071 0.000 0.834 628 E CB 0.847 30.496 29.700 -0.084 0.000 1.230 628 E HN 0.698 nan 8.360 nan 0.000 0.412 629 T N -0.817 113.705 114.554 -0.053 0.000 4.339 629 T HA 0.068 4.419 4.350 0.002 0.000 0.431 629 T C 0.093 174.767 174.700 -0.044 0.000 1.117 629 T CA 0.082 62.156 62.100 -0.044 0.000 1.020 629 T CB -0.170 68.675 68.868 -0.038 0.000 1.522 629 T HN 0.685 nan 8.240 nan 0.000 0.494 630 K N -0.551 119.827 120.400 -0.036 0.000 2.668 630 K HA 0.673 4.994 4.320 0.002 0.000 0.246 630 K C -0.391 176.195 176.600 -0.024 0.000 0.976 630 K CA -0.901 55.366 56.287 -0.032 0.000 0.902 630 K CB 1.539 34.022 32.500 -0.029 0.000 1.172 630 K HN 0.579 nan 8.250 nan 0.000 0.452 631 A N 2.981 125.787 122.820 -0.023 0.000 2.412 631 A HA 0.052 4.373 4.320 0.002 0.000 0.253 631 A C -0.181 177.400 177.584 -0.004 0.000 1.334 631 A CA -0.267 51.761 52.037 -0.015 0.000 0.929 631 A CB -0.747 18.243 19.000 -0.017 0.000 0.983 631 A HN 0.818 nan 8.150 nan 0.000 0.508 632 E N 2.102 122.299 120.200 -0.004 0.000 2.463 632 E HA 0.260 4.611 4.350 0.002 0.000 0.248 632 E C -1.832 174.774 176.600 0.011 0.000 1.106 632 E CA -1.307 55.097 56.400 0.007 0.000 0.946 632 E CB -0.562 29.139 29.700 0.002 0.000 0.971 632 E HN 0.425 nan 8.360 nan 0.000 0.478 633 P HA -0.050 nan 4.420 nan 0.000 0.273 633 P C -0.297 177.010 177.300 0.013 0.000 1.258 633 P CA -0.236 62.878 63.100 0.023 0.000 0.802 633 P CB 0.590 32.312 31.700 0.037 0.000 1.040 634 M N 0.191 119.804 119.600 0.020 0.000 2.162 634 M HA 0.223 4.704 4.480 0.002 0.000 0.356 634 M C 0.365 176.651 176.300 -0.023 0.000 1.303 634 M CA 0.660 55.963 55.300 0.006 0.000 1.116 634 M CB 0.587 33.204 32.600 0.028 0.000 1.632 634 M HN 0.334 nan 8.290 nan 0.000 0.469 635 T N 1.714 116.170 114.554 -0.164 0.000 2.865 635 T HA 0.442 4.793 4.350 0.002 0.000 0.294 635 T C -0.682 173.736 174.700 -0.471 0.000 1.119 635 T CA -0.894 60.857 62.100 -0.581 0.000 1.007 635 T CB 1.464 70.069 68.868 -0.439 0.000 1.225 635 T HN 0.775 nan 8.240 nan 0.000 0.515 636 N N 0.282 118.555 118.700 -0.711 0.000 2.434 636 N HA 0.225 4.966 4.740 0.002 0.000 0.266 636 N C 0.893 176.355 175.510 -0.080 0.000 1.223 636 N CA -0.655 52.268 53.050 -0.212 0.000 0.972 636 N CB 0.381 38.853 38.487 -0.024 0.000 1.207 636 N HN 0.796 nan 8.380 nan 0.000 0.525 637 E N -0.457 119.746 120.200 0.006 0.000 2.097 637 E HA -0.252 4.099 4.350 0.002 0.000 0.196 637 E C 1.157 177.789 176.600 0.054 0.000 1.000 637 E CA 1.116 57.529 56.400 0.022 0.000 0.804 637 E CB -0.210 29.511 29.700 0.035 0.000 0.740 637 E HN 0.596 nan 8.360 nan 0.000 0.454 638 F N -0.098 119.844 119.950 -0.014 0.000 2.171 638 F HA -0.141 4.387 4.527 0.002 0.000 0.300 638 F C 1.833 177.645 175.800 0.021 0.000 1.090 638 F CA 1.264 59.260 58.000 -0.007 0.000 1.293 638 F CB -0.279 38.739 39.000 0.030 0.000 1.013 638 F HN 0.101 nan 8.300 nan 0.000 0.486 639 F N 1.210 121.149 119.950 -0.019 0.000 2.146 639 F HA -0.140 4.388 4.527 0.002 0.000 0.298 639 F C 2.216 177.917 175.800 -0.164 0.000 1.096 639 F CA 1.810 59.757 58.000 -0.088 0.000 1.275 639 F CB -0.456 38.416 39.000 -0.212 0.000 1.008 639 F HN -0.168 nan 8.300 nan 0.000 0.480 640 K N -0.245 120.112 120.400 -0.070 0.000 2.057 640 K HA -0.133 4.188 4.320 0.002 0.000 0.206 640 K C 1.597 178.065 176.600 -0.219 0.000 1.050 640 K CA 1.515 57.724 56.287 -0.129 0.000 0.935 640 K CB -0.295 32.166 32.500 -0.066 0.000 0.715 640 K HN 0.240 nan 8.250 nan 0.000 0.439 641 N N -0.077 118.474 118.700 -0.249 0.000 2.376 641 N HA -0.037 4.704 4.740 0.002 0.000 0.177 641 N C 1.541 176.800 175.510 -0.419 0.000 1.024 641 N CA 0.779 53.657 53.050 -0.288 0.000 0.893 641 N CB 0.477 38.819 38.487 -0.241 0.000 0.980 641 N HN -0.012 nan 8.380 nan 0.000 0.439 642 V N -0.721 118.819 119.914 -0.624 0.000 3.161 642 V HA 0.076 4.197 4.120 0.002 0.000 0.221 642 V C 2.119 177.932 176.094 -0.468 0.000 1.296 642 V CA 0.237 62.128 62.300 -0.681 0.000 1.306 642 V CB -0.049 31.007 31.823 -1.278 0.000 1.171 642 V HN -0.141 nan 8.190 nan 0.000 0.513 643 V N 0.730 120.328 119.914 -0.526 0.000 2.237 643 V HA -0.294 3.827 4.120 0.002 0.000 0.245 643 V C 2.349 178.148 176.094 -0.491 0.000 1.046 643 V CA 2.695 64.785 62.300 -0.350 0.000 1.007 643 V CB -0.723 30.942 31.823 -0.262 0.000 0.638 643 V HN 0.499 nan 8.190 nan 0.000 0.445 644 K N 0.142 120.037 120.400 -0.842 0.000 2.063 644 K HA -0.191 4.130 4.320 0.002 0.000 0.208 644 K C -0.048 176.396 176.600 -0.261 0.000 1.048 644 K CA 1.977 57.910 56.287 -0.590 0.000 0.928 644 K CB -1.090 31.090 32.500 -0.534 0.000 0.713 644 K HN 0.397 nan 8.250 nan 0.000 0.442 645 P HA -0.160 nan 4.420 nan 0.000 0.215 645 P C 1.085 178.356 177.300 -0.048 0.000 1.153 645 P CA 1.305 64.334 63.100 -0.118 0.000 0.853 645 P CB 0.054 31.674 31.700 -0.132 0.000 0.788 646 I N -1.433 119.110 120.570 -0.044 0.000 2.202 646 I HA -0.214 3.957 4.170 0.002 0.000 0.242 646 I C 2.244 178.395 176.117 0.057 0.000 1.091 646 I CA 1.330 62.653 61.300 0.038 0.000 1.368 646 I CB -0.700 37.355 38.000 0.091 0.000 1.058 646 I HN -0.105 nan 8.210 nan 0.000 0.410 647 L N 0.397 121.639 121.223 0.031 0.000 2.131 647 L HA -0.165 4.176 4.340 0.002 0.000 0.210 647 L C 2.228 179.202 176.870 0.174 0.000 1.092 647 L CA 1.728 56.626 54.840 0.097 0.000 0.759 647 L CB -0.942 41.160 42.059 0.071 0.000 0.903 647 L HN 0.438 nan 8.230 nan 0.000 0.435 648 T N -3.456 111.161 114.554 0.105 0.000 3.312 648 T HA 0.054 4.405 4.350 0.002 0.000 0.251 648 T C 0.649 175.493 174.700 0.240 0.000 1.012 648 T CA -0.378 61.814 62.100 0.155 0.000 0.925 648 T CB 0.091 68.959 68.868 -0.000 0.000 1.049 648 T HN 0.312 nan 8.240 nan 0.000 0.583 649 Q N 0.308 120.233 119.800 0.208 0.000 2.475 649 Q HA -0.160 4.181 4.340 0.002 0.000 0.280 649 Q C -0.049 176.013 176.000 0.103 0.000 1.234 649 Q CA 0.754 56.645 55.803 0.147 0.000 0.873 649 Q CB -1.879 26.969 28.738 0.183 0.000 1.256 649 Q HN 0.695 nan 8.270 nan 0.000 0.475 650 Q N -1.908 117.936 119.800 0.073 0.000 2.135 650 Q HA 0.221 4.562 4.340 0.002 0.000 0.222 650 Q C 1.621 177.648 176.000 0.045 0.000 0.808 650 Q CA 0.669 56.501 55.803 0.048 0.000 1.049 650 Q CB 0.769 29.522 28.738 0.025 0.000 1.168 650 Q HN 0.432 nan 8.270 nan 0.000 0.483 651 G N 1.736 110.573 108.800 0.061 0.000 2.469 651 G HA2 -0.274 3.687 3.960 0.002 0.000 0.219 651 G HA3 -0.274 3.687 3.960 0.002 0.000 0.219 651 G C 1.105 176.067 174.900 0.104 0.000 1.150 651 G CA 0.796 45.954 45.100 0.097 0.000 0.763 651 G HN 0.286 nan 8.290 nan 0.000 0.561 652 D N 0.498 120.935 120.400 0.063 0.000 2.221 652 D HA -0.077 4.564 4.640 0.002 0.000 0.204 652 D C 2.268 178.604 176.300 0.061 0.000 0.982 652 D CA 0.867 54.899 54.000 0.054 0.000 0.857 652 D CB -0.023 40.794 40.800 0.029 0.000 0.934 652 D HN 0.369 nan 8.370 nan 0.000 0.475 653 K N -0.002 120.429 120.400 0.050 0.000 2.418 653 K HA 0.087 4.408 4.320 0.002 0.000 0.195 653 K C 0.729 177.352 176.600 0.038 0.000 1.035 653 K CA -0.062 56.245 56.287 0.035 0.000 1.003 653 K CB 0.379 32.888 32.500 0.015 0.000 0.793 653 K HN 0.100 nan 8.250 nan 0.000 0.494 654 L N 3.862 125.127 121.223 0.070 0.000 2.410 654 L HA 0.117 4.458 4.340 0.002 0.000 0.273 654 L C -1.809 175.139 176.870 0.132 0.000 1.144 654 L CA -1.739 53.136 54.840 0.058 0.000 0.863 654 L CB 0.148 42.253 42.059 0.076 0.000 1.140 654 L HN -0.016 nan 8.230 nan 0.000 0.463 655 P HA 0.086 nan 4.420 nan 0.000 0.277 655 P C 0.899 178.297 177.300 0.163 0.000 1.271 655 P CA -0.532 62.620 63.100 0.086 0.000 0.795 655 P CB 1.327 33.039 31.700 0.021 0.000 1.101 656 V N 0.631 120.638 119.914 0.156 0.000 2.392 656 V HA -0.232 3.889 4.120 0.002 0.000 0.249 656 V C 2.676 178.867 176.094 0.162 0.000 1.059 656 V CA 2.842 65.265 62.300 0.205 0.000 1.051 656 V CB -1.707 30.181 31.823 0.108 0.000 0.658 656 V HN 0.763 nan 8.190 nan 0.000 0.455 657 S N 0.891 116.621 115.700 0.050 0.000 2.500 657 S HA -0.076 4.395 4.470 0.002 0.000 0.239 657 S C 1.848 176.392 174.600 -0.094 0.000 0.989 657 S CA 1.091 59.287 58.200 -0.007 0.000 0.951 657 S CB -0.415 62.772 63.200 -0.023 0.000 0.759 657 S HN 0.593 nan 8.310 nan 0.000 0.523 658 A N 0.097 122.778 122.820 -0.233 0.000 2.167 658 A HA 0.444 4.765 4.320 0.002 0.000 0.214 658 A C 0.344 177.473 177.584 -0.758 0.000 1.151 658 A CA 0.037 51.738 52.037 -0.559 0.000 0.735 658 A CB -0.361 18.140 19.000 -0.832 0.000 0.802 658 A HN 0.517 nan 8.150 nan 0.000 0.467 659 F N -0.364 119.579 119.950 -0.011 0.000 2.556 659 F HA 0.457 4.985 4.527 0.002 0.000 0.327 659 F C 0.293 176.091 175.800 -0.003 0.000 1.059 659 F CA -1.171 56.825 58.000 -0.006 0.000 0.953 659 F CB 0.933 39.950 39.000 0.027 0.000 1.227 659 F HN -0.095 nan 8.300 nan 0.000 0.478 660 E N 0.637 120.950 120.200 0.188 0.000 2.338 660 E HA 0.223 4.574 4.350 0.002 0.000 0.272 660 E C 0.673 177.353 176.600 0.133 0.000 1.029 660 E CA 0.011 56.482 56.400 0.118 0.000 0.872 660 E CB 1.524 31.280 29.700 0.093 0.000 1.015 660 E HN 0.768 nan 8.360 nan 0.000 0.417 661 A N 3.566 126.438 122.820 0.087 0.000 1.978 661 A HA -0.220 4.101 4.320 0.002 0.000 0.220 661 A C 1.325 178.959 177.584 0.083 0.000 1.170 661 A CA 1.985 54.060 52.037 0.063 0.000 0.636 661 A CB -0.261 18.766 19.000 0.045 0.000 0.810 661 A HN 0.585 nan 8.150 nan 0.000 0.448 662 D N -2.698 117.771 120.400 0.114 0.000 2.339 662 D HA 0.296 4.937 4.640 0.002 0.000 0.217 662 D C 1.150 177.582 176.300 0.220 0.000 1.050 662 D CA 0.868 54.955 54.000 0.145 0.000 0.856 662 D CB -0.506 40.364 40.800 0.118 0.000 0.922 662 D HN 0.744 nan 8.370 nan 0.000 0.518 663 G N 1.264 110.226 108.800 0.270 0.000 2.179 663 G HA2 -0.367 3.594 3.960 0.002 0.000 0.260 663 G HA3 -0.367 3.594 3.960 0.002 0.000 0.260 663 G C 0.440 175.590 174.900 0.417 0.000 0.977 663 G CA 0.213 45.559 45.100 0.410 0.000 0.641 663 G HN 0.781 nan 8.290 nan 0.000 0.533 664 R N -0.834 119.842 120.500 0.293 0.000 2.734 664 R HA 0.569 4.911 4.340 0.002 0.000 0.266 664 R C -0.672 175.834 176.300 0.343 0.000 1.044 664 R CA 0.101 56.373 56.100 0.286 0.000 1.128 664 R CB 0.316 30.714 30.300 0.163 0.000 1.010 664 R HN 0.142 nan 8.270 nan 0.000 0.461 665 F N 0.749 120.750 119.950 0.085 0.000 2.588 665 F HA 0.514 5.042 4.527 0.002 0.000 0.314 665 F C -1.871 173.879 175.800 -0.083 0.000 1.069 665 F CA -2.388 55.626 58.000 0.023 0.000 0.931 665 F CB 2.017 41.087 39.000 0.117 0.000 1.260 665 F HN 0.608 nan 8.300 nan 0.000 0.465 666 P HA 0.395 nan 4.420 nan 0.000 0.279 666 P C -1.070 176.249 177.300 0.032 0.000 1.252 666 P CA -0.409 62.610 63.100 -0.135 0.000 0.811 666 P CB 1.364 32.829 31.700 -0.390 0.000 1.035 667 L N 0.396 121.647 121.223 0.047 0.000 2.466 667 L HA 0.391 4.732 4.340 0.002 0.000 0.257 667 L C 1.747 178.686 176.870 0.114 0.000 1.189 667 L CA 1.399 56.292 54.840 0.090 0.000 0.813 667 L CB -0.553 41.552 42.059 0.076 0.000 1.118 667 L HN 0.856 nan 8.230 nan 0.000 0.471 668 G N -0.415 108.454 108.800 0.115 0.000 2.179 668 G HA2 -0.342 3.619 3.960 0.002 0.000 0.257 668 G HA3 -0.342 3.619 3.960 0.002 0.000 0.257 668 G C 0.889 175.905 174.900 0.194 0.000 1.010 668 G CA 0.846 46.007 45.100 0.102 0.000 0.736 668 G HN 0.860 nan 8.290 nan 0.000 0.513 669 T N -1.877 112.864 114.554 0.312 0.000 2.995 669 T HA 0.031 4.382 4.350 0.002 0.000 0.269 669 T C 2.596 177.561 174.700 0.442 0.000 1.091 669 T CA 1.879 64.290 62.100 0.519 0.000 1.128 669 T CB -0.314 68.928 68.868 0.623 0.000 0.891 669 T HN 1.320 nan 8.240 nan 0.000 0.492 670 S N 1.135 117.003 115.700 0.280 0.000 2.481 670 S HA -0.097 4.374 4.470 0.002 0.000 0.231 670 S C 2.050 176.777 174.600 0.211 0.000 0.996 670 S CA 0.153 58.516 58.200 0.272 0.000 0.942 670 S CB -0.529 62.822 63.200 0.252 0.000 0.768 670 S HN 0.382 nan 8.310 nan 0.000 0.520 671 Q N 0.466 120.272 119.800 0.011 0.000 2.248 671 Q HA -0.049 4.292 4.340 0.002 0.000 0.208 671 Q C 0.932 176.566 176.000 -0.609 0.000 0.984 671 Q CA 1.280 56.928 55.803 -0.258 0.000 0.875 671 Q CB -0.494 27.829 28.738 -0.692 0.000 0.910 671 Q HN 0.837 nan 8.270 nan 0.000 0.433 672 F N -0.446 119.365 119.950 -0.232 0.000 2.695 672 F HA 0.164 4.692 4.527 0.002 0.000 0.303 672 F C 1.822 177.387 175.800 -0.393 0.000 1.091 672 F CA -0.207 57.452 58.000 -0.569 0.000 1.300 672 F CB 0.319 38.452 39.000 -1.446 0.000 1.071 672 F HN 0.018 nan 8.300 nan 0.000 0.578 673 E N 0.647 120.868 120.200 0.036 0.000 2.107 673 E HA -0.107 4.244 4.350 0.002 0.000 0.191 673 E C 0.510 177.153 176.600 0.072 0.000 0.982 673 E CA 0.371 56.883 56.400 0.187 0.000 0.809 673 E CB -0.022 29.821 29.700 0.238 0.000 0.756 673 E HN -0.001 nan 8.360 nan 0.000 0.459 674 K N 0.941 121.297 120.400 -0.072 0.000 3.415 674 K HA -0.273 4.048 4.320 0.002 0.000 0.271 674 K C 0.519 177.107 176.600 -0.021 0.000 0.876 674 K CA 0.565 56.786 56.287 -0.110 0.000 0.670 674 K CB -1.159 31.284 32.500 -0.096 0.000 1.510 674 K HN 0.322 nan 8.250 nan 0.000 0.455 675 R N 0.076 120.583 120.500 0.012 0.000 2.127 675 R HA -0.127 4.215 4.340 0.002 0.000 0.238 675 R C 1.420 177.749 176.300 0.049 0.000 1.134 675 R CA 1.019 57.157 56.100 0.063 0.000 0.975 675 R CB -0.180 30.173 30.300 0.088 0.000 0.865 675 R HN 0.619 nan 8.270 nan 0.000 0.447 676 G N 0.991 109.795 108.800 0.006 0.000 2.371 676 G HA2 -0.225 3.736 3.960 0.002 0.000 0.299 676 G HA3 -0.225 3.736 3.960 0.002 0.000 0.299 676 G C 0.452 175.373 174.900 0.035 0.000 1.014 676 G CA 0.470 45.576 45.100 0.010 0.000 1.097 676 G HN 0.381 nan 8.290 nan 0.000 0.512 677 V N -3.109 116.823 119.914 0.030 0.000 3.376 677 V HA 0.769 4.890 4.120 0.002 0.000 0.313 677 V C 1.253 177.359 176.094 0.020 0.000 1.393 677 V CA 0.410 62.738 62.300 0.047 0.000 1.125 677 V CB -0.013 31.855 31.823 0.076 0.000 1.037 677 V HN 1.524 nan 8.190 nan 0.000 0.440 678 A N 0.235 123.054 122.820 -0.001 0.000 2.340 678 A HA 0.736 5.057 4.320 0.002 0.000 0.268 678 A C 0.939 178.526 177.584 0.005 0.000 1.100 678 A CA -0.311 51.719 52.037 -0.011 0.000 0.803 678 A CB 0.629 19.613 19.000 -0.026 0.000 1.043 678 A HN 0.351 nan 8.150 nan 0.000 0.488 679 I N 0.484 121.057 120.570 0.005 0.000 2.429 679 I HA 0.007 4.178 4.170 0.002 0.000 0.247 679 I C 0.242 176.365 176.117 0.009 0.000 1.099 679 I CA 0.546 61.852 61.300 0.009 0.000 1.422 679 I CB -0.060 37.945 38.000 0.008 0.000 1.112 679 I HN 0.543 nan 8.210 nan 0.000 0.430 680 N N 0.627 119.330 118.700 0.006 0.000 2.240 680 N HA 0.521 5.262 4.740 0.002 0.000 0.302 680 N C -0.987 174.526 175.510 0.006 0.000 1.106 680 N CA -0.258 52.797 53.050 0.009 0.000 0.778 680 N CB 3.109 41.602 38.487 0.010 0.000 1.431 680 N HN -0.098 nan 8.380 nan 0.000 0.479 681 V N -1.459 118.462 119.914 0.012 0.000 3.040 681 V HA 0.761 4.882 4.120 0.002 0.000 0.312 681 V C -2.726 173.383 176.094 0.024 0.000 1.115 681 V CA -2.307 60.001 62.300 0.012 0.000 0.998 681 V CB 2.624 34.453 31.823 0.009 0.000 1.042 681 V HN 0.460 nan 8.190 nan 0.000 0.433 682 P HA 0.246 nan 4.420 nan 0.000 0.275 682 P C -1.303 176.037 177.300 0.067 0.000 1.227 682 P CA 0.014 63.143 63.100 0.049 0.000 0.781 682 P CB 1.107 32.838 31.700 0.052 0.000 0.906 683 Q N 3.053 122.903 119.800 0.084 0.000 2.322 683 Q HA 0.264 4.605 4.340 0.002 0.000 0.265 683 Q C -1.331 174.773 176.000 0.174 0.000 0.985 683 Q CA -0.837 55.030 55.803 0.106 0.000 0.849 683 Q CB 1.017 29.795 28.738 0.067 0.000 1.274 683 Q HN 0.387 nan 8.270 nan 0.000 0.449 684 W N 4.608 125.897 121.300 -0.018 0.000 2.216 684 W HA 0.346 5.008 4.660 0.002 0.000 0.326 684 W C -1.144 175.366 176.519 -0.014 0.000 1.319 684 W CA -0.323 57.011 57.345 -0.019 0.000 1.213 684 W CB 0.858 30.293 29.460 -0.043 0.000 1.171 684 W HN 0.390 nan 8.180 nan 0.000 0.557 685 V N 10.165 129.873 119.914 -0.343 0.000 2.315 685 V HA 0.120 4.241 4.120 0.002 0.000 0.265 685 V C -1.071 174.563 176.094 -0.767 0.000 1.019 685 V CA -1.251 60.798 62.300 -0.418 0.000 0.824 685 V CB 1.026 32.736 31.823 -0.187 0.000 1.072 685 V HN 0.540 nan 8.190 nan 0.000 0.448 686 P HA -0.225 nan 4.420 nan 0.000 0.217 686 P C 1.053 178.052 177.300 -0.501 0.000 1.148 686 P CA 1.499 63.835 63.100 -1.274 0.000 0.834 686 P CB 0.581 31.524 31.700 -1.263 0.000 0.783 687 E N 0.098 120.094 120.200 -0.340 0.000 2.204 687 E HA -0.150 4.201 4.350 0.002 0.000 0.195 687 E C 1.624 178.149 176.600 -0.126 0.000 0.990 687 E CA 1.335 57.628 56.400 -0.178 0.000 0.821 687 E CB -0.894 28.726 29.700 -0.134 0.000 0.750 687 E HN 0.551 nan 8.360 nan 0.000 0.477 688 N N -0.718 117.895 118.700 -0.144 0.000 2.325 688 N HA 0.059 4.800 4.740 0.002 0.000 0.182 688 N C -0.144 175.351 175.510 -0.024 0.000 1.088 688 N CA -0.322 52.685 53.050 -0.072 0.000 0.879 688 N CB 0.354 38.804 38.487 -0.062 0.000 0.983 688 N HN 0.051 nan 8.380 nan 0.000 0.471 689 C N 2.321 121.610 119.300 -0.018 0.000 2.648 689 C HA 0.137 4.598 4.460 0.002 0.000 0.415 689 C C 1.740 176.800 174.990 0.117 0.000 1.366 689 C CA -0.563 58.540 59.018 0.143 0.000 1.756 689 C CB -1.070 26.906 27.740 0.394 0.000 2.549 689 C HN 0.460 nan 8.230 nan 0.000 0.597 690 I N 2.320 122.943 120.570 0.089 0.000 3.904 690 I HA 0.219 4.391 4.170 0.002 0.000 0.333 690 I C 0.728 176.820 176.117 -0.040 0.000 1.361 690 I CA -0.016 61.297 61.300 0.020 0.000 1.116 690 I CB -0.734 37.267 38.000 0.001 0.000 1.028 690 I HN 0.842 nan 8.210 nan 0.000 0.398 691 Q N 0.990 120.776 119.800 -0.025 0.000 2.452 691 Q HA -0.223 4.118 4.340 0.002 0.000 0.318 691 Q C 1.185 177.006 176.000 -0.298 0.000 1.386 691 Q CA 0.636 56.215 55.803 -0.374 0.000 0.872 691 Q CB -2.048 26.233 28.738 -0.760 0.000 1.151 691 Q HN 0.953 nan 8.270 nan 0.000 0.417 692 C N -3.024 116.213 119.300 -0.105 0.000 2.735 692 C HA 0.241 4.702 4.460 0.002 0.000 0.271 692 C C 1.109 176.036 174.990 -0.105 0.000 1.281 692 C CA 0.254 59.207 59.018 -0.108 0.000 1.719 692 C CB 0.099 27.797 27.740 -0.071 0.000 2.024 692 C HN 0.756 nan 8.230 nan 0.000 0.566 693 N N 0.522 119.204 118.700 -0.029 0.000 2.936 693 N HA -0.215 4.526 4.740 0.002 0.000 0.236 693 N C 0.773 176.283 175.510 -0.000 0.000 0.930 693 N CA 1.563 54.600 53.050 -0.022 0.000 0.966 693 N CB -1.613 36.773 38.487 -0.169 0.000 1.090 693 N HN 0.785 nan 8.380 nan 0.000 0.592 694 Q N -0.510 119.278 119.800 -0.020 0.000 2.170 694 Q HA -0.150 4.191 4.340 0.002 0.000 0.203 694 Q C 2.266 178.302 176.000 0.061 0.000 0.976 694 Q CA 1.971 57.763 55.803 -0.019 0.000 0.858 694 Q CB -0.181 28.519 28.738 -0.064 0.000 0.907 694 Q HN 0.854 nan 8.270 nan 0.000 0.433 695 C N -0.281 119.050 119.300 0.051 0.000 2.413 695 C HA -0.042 4.419 4.460 0.002 0.000 0.277 695 C C 2.776 177.794 174.990 0.047 0.000 1.228 695 C CA 0.499 59.546 59.018 0.049 0.000 1.731 695 C CB -1.459 26.307 27.740 0.043 0.000 2.042 695 C HN 0.489 nan 8.230 nan 0.000 0.468 696 A N 0.233 123.073 122.820 0.034 0.000 1.940 696 A HA -0.114 4.207 4.320 0.002 0.000 0.219 696 A C 2.029 179.633 177.584 0.032 0.000 1.176 696 A CA 1.806 53.848 52.037 0.009 0.000 0.631 696 A CB -1.124 17.864 19.000 -0.020 0.000 0.814 696 A HN 0.641 nan 8.150 nan 0.000 0.446 697 F N 0.710 120.614 119.950 -0.076 0.000 2.126 697 F HA -0.204 4.324 4.527 0.002 0.000 0.299 697 F C 2.224 177.972 175.800 -0.087 0.000 1.096 697 F CA 2.184 60.142 58.000 -0.071 0.000 1.255 697 F CB 0.105 39.072 39.000 -0.054 0.000 0.997 697 F HN 0.149 nan 8.300 nan 0.000 0.479 698 V N -2.455 117.551 119.914 0.154 0.000 3.541 698 V HA 0.087 4.208 4.120 0.002 0.000 0.267 698 V C 1.021 177.084 176.094 -0.052 0.000 1.213 698 V CA -0.268 62.052 62.300 0.034 0.000 1.149 698 V CB -1.479 30.373 31.823 0.049 0.000 0.822 698 V HN 0.322 nan 8.190 nan 0.000 0.462 699 C N 3.297 122.570 119.300 -0.044 0.000 2.638 699 C HA 0.349 4.810 4.460 0.002 0.000 0.410 699 C C -0.500 174.431 174.990 -0.098 0.000 1.404 699 C CA -0.512 58.482 59.018 -0.039 0.000 1.651 699 C CB 0.432 28.164 27.740 -0.013 0.000 2.495 699 C HN 0.480 nan 8.230 nan 0.000 0.606 700 P HA 0.052 nan 4.420 nan 0.000 0.242 700 P C -0.046 176.972 177.300 -0.470 0.000 1.197 700 P CA 1.249 64.210 63.100 -0.232 0.000 0.765 700 P CB 0.042 31.666 31.700 -0.125 0.000 0.936 701 H N -3.331 115.663 119.070 -0.127 0.000 3.052 701 H HA 0.295 4.852 4.556 0.001 0.000 0.257 701 H C 0.528 175.844 175.328 -0.020 0.000 1.193 701 H CA -0.174 55.832 56.048 -0.071 0.000 1.072 701 H CB 0.031 29.808 29.762 0.024 0.000 1.685 701 H HN -0.215 nan 8.280 nan 0.000 0.630 702 S N 0.102 115.789 115.700 -0.022 0.000 3.635 702 S HA -0.262 4.209 4.470 0.002 0.000 0.328 702 S C 1.418 176.107 174.600 0.148 0.000 1.135 702 S CA 0.507 58.681 58.200 -0.045 0.000 0.942 702 S CB -1.412 61.629 63.200 -0.265 0.000 0.930 702 S HN 0.695 nan 8.310 nan 0.000 0.512 703 A N -0.154 122.766 122.820 0.167 0.000 2.238 703 A HA 0.439 4.760 4.320 0.002 0.000 0.208 703 A C 0.654 178.272 177.584 0.057 0.000 1.177 703 A CA 0.415 52.542 52.037 0.150 0.000 0.804 703 A CB -0.020 19.037 19.000 0.094 0.000 0.823 703 A HN 0.675 nan 8.150 nan 0.000 0.482 704 I N 0.553 121.137 120.570 0.023 0.000 2.378 704 I HA 0.346 4.517 4.170 0.002 0.000 0.291 704 I C -0.992 175.099 176.117 -0.044 0.000 0.992 704 I CA -0.820 60.462 61.300 -0.031 0.000 1.154 704 I CB 1.927 39.900 38.000 -0.044 0.000 1.315 704 I HN 0.098 nan 8.210 nan 0.000 0.448 705 L N 9.807 130.986 121.223 -0.074 0.000 2.318 705 L HA 0.633 4.974 4.340 0.002 0.000 0.277 705 L C -2.675 174.116 176.870 -0.131 0.000 1.008 705 L CA -1.895 52.907 54.840 -0.065 0.000 0.846 705 L CB 1.119 43.165 42.059 -0.020 0.000 1.220 705 L HN 0.217 nan 8.230 nan 0.000 0.423 706 P HA 0.195 nan 4.420 nan 0.000 0.271 706 P C -1.161 176.115 177.300 -0.039 0.000 1.220 706 P CA -0.030 63.000 63.100 -0.117 0.000 0.768 706 P CB 1.120 32.858 31.700 0.063 0.000 0.848 707 V N 5.513 125.296 119.914 -0.218 0.000 2.409 707 V HA 0.333 4.454 4.120 0.002 0.000 0.291 707 V C -0.228 175.825 176.094 -0.070 0.000 1.020 707 V CA -0.479 61.771 62.300 -0.084 0.000 0.848 707 V CB 1.510 33.317 31.823 -0.028 0.000 0.990 707 V HN 0.340 nan 8.190 nan 0.000 0.430 708 L N 5.642 126.837 121.223 -0.046 0.000 2.353 708 L HA 0.896 5.238 4.340 0.002 0.000 0.270 708 L C 0.007 176.864 176.870 -0.020 0.000 1.003 708 L CA 0.106 54.883 54.840 -0.106 0.000 0.862 708 L CB 0.980 42.675 42.059 -0.607 0.000 1.221 708 L HN 0.740 nan 8.230 nan 0.000 0.430 709 A N 4.406 127.320 122.820 0.158 0.000 2.423 709 A HA 0.751 5.072 4.320 0.002 0.000 0.304 709 A C -0.865 176.889 177.584 0.282 0.000 1.104 709 A CA -0.859 51.306 52.037 0.213 0.000 0.757 709 A CB 1.196 20.291 19.000 0.158 0.000 1.313 709 A HN 0.589 nan 8.150 nan 0.000 0.423 710 K N 1.026 121.539 120.400 0.189 0.000 2.270 710 K HA 0.156 4.477 4.320 0.002 0.000 0.276 710 K C 0.796 177.432 176.600 0.060 0.000 1.023 710 K CA 0.267 56.576 56.287 0.037 0.000 0.955 710 K CB 1.004 33.488 32.500 -0.026 0.000 0.975 710 K HN 0.850 nan 8.250 nan 0.000 0.471 711 E N 2.134 122.355 120.200 0.035 0.000 2.333 711 E HA -0.286 4.065 4.350 0.002 0.000 0.200 711 E C 1.116 177.747 176.600 0.052 0.000 1.010 711 E CA 1.592 58.027 56.400 0.059 0.000 0.841 711 E CB -0.105 29.619 29.700 0.040 0.000 0.757 711 E HN 0.741 nan 8.360 nan 0.000 0.508 712 E N 1.369 121.586 120.200 0.030 0.000 2.435 712 E HA -0.122 4.229 4.350 0.002 0.000 0.195 712 E C 1.273 177.896 176.600 0.039 0.000 1.029 712 E CA 0.550 56.966 56.400 0.026 0.000 0.865 712 E CB 0.014 29.717 29.700 0.006 0.000 0.833 712 E HN 0.466 nan 8.360 nan 0.000 0.510 713 E N 0.148 120.380 120.200 0.054 0.000 2.447 713 E HA 0.026 4.377 4.350 0.002 0.000 0.195 713 E C 0.947 177.614 176.600 0.111 0.000 1.028 713 E CA -0.045 56.386 56.400 0.051 0.000 0.876 713 E CB 0.353 30.075 29.700 0.036 0.000 0.885 713 E HN 0.175 nan 8.360 nan 0.000 0.500 714 L N 0.350 121.656 121.223 0.138 0.000 2.607 714 L HA 0.013 4.354 4.340 0.002 0.000 0.228 714 L C 1.754 178.687 176.870 0.105 0.000 1.123 714 L CA 0.466 55.414 54.840 0.180 0.000 0.890 714 L CB 0.185 42.362 42.059 0.198 0.000 1.103 714 L HN -0.038 nan 8.230 nan 0.000 0.468 715 V N 0.159 120.124 119.914 0.086 0.000 2.250 715 V HA -0.269 3.852 4.120 0.002 0.000 0.250 715 V C 2.256 178.361 176.094 0.017 0.000 1.060 715 V CA 2.197 64.525 62.300 0.046 0.000 1.030 715 V CB -1.292 30.555 31.823 0.039 0.000 0.643 715 V HN 0.551 nan 8.190 nan 0.000 0.445 716 G N -0.671 108.158 108.800 0.048 0.000 2.985 716 G HA2 0.327 4.288 3.960 0.002 0.000 0.209 716 G HA3 0.327 4.288 3.960 0.002 0.000 0.209 716 G C 0.628 175.375 174.900 -0.253 0.000 1.165 716 G CA 0.434 45.529 45.100 -0.009 0.000 0.776 716 G HN 0.683 nan 8.290 nan 0.000 0.541 717 A N 1.089 123.634 122.820 -0.458 0.000 2.540 717 A HA 0.464 4.785 4.320 0.002 0.000 0.239 717 A C -1.726 175.500 177.584 -0.596 0.000 1.061 717 A CA -0.684 50.666 52.037 -1.146 0.000 0.758 717 A CB 0.029 18.599 19.000 -0.716 0.000 0.991 717 A HN 0.209 nan 8.150 nan 0.000 0.502 718 P HA 0.075 nan 4.420 nan 0.000 0.267 718 P C 1.002 178.262 177.300 -0.068 0.000 1.195 718 P CA 0.798 63.765 63.100 -0.220 0.000 0.773 718 P CB 0.517 32.139 31.700 -0.130 0.000 0.837 719 A N 3.130 125.931 122.820 -0.032 0.000 2.032 719 A HA -0.231 4.090 4.320 0.002 0.000 0.221 719 A C 1.485 179.093 177.584 0.041 0.000 1.165 719 A CA 2.119 54.158 52.037 0.004 0.000 0.645 719 A CB -1.306 17.694 19.000 -0.000 0.000 0.807 719 A HN 0.834 nan 8.150 nan 0.000 0.453 720 N N -2.760 115.977 118.700 0.062 0.000 2.230 720 N HA 0.120 4.861 4.740 0.002 0.000 0.202 720 N C 0.187 175.769 175.510 0.121 0.000 1.119 720 N CA -0.410 52.686 53.050 0.076 0.000 0.851 720 N CB -0.031 38.492 38.487 0.059 0.000 0.990 720 N HN 0.237 nan 8.380 nan 0.000 0.497 721 F N 3.546 123.487 119.950 -0.015 0.000 2.651 721 F HA 0.099 4.627 4.527 0.002 0.000 0.367 721 F C 0.066 175.909 175.800 0.071 0.000 1.225 721 F CA -0.134 57.873 58.000 0.011 0.000 1.310 721 F CB -0.939 38.017 39.000 -0.074 0.000 1.724 721 F HN -0.079 nan 8.300 nan 0.000 0.662 722 T N 3.026 117.585 114.554 0.007 0.000 2.867 722 T HA 0.438 4.789 4.350 0.002 0.000 0.297 722 T C 0.299 175.057 174.700 0.095 0.000 0.989 722 T CA 0.089 62.222 62.100 0.055 0.000 1.159 722 T CB 0.604 69.496 68.868 0.041 0.000 0.928 722 T HN 0.539 nan 8.240 nan 0.000 0.538 723 A N 3.539 126.441 122.820 0.136 0.000 2.423 723 A HA 0.844 5.165 4.320 0.002 0.000 0.304 723 A C -0.678 177.035 177.584 0.215 0.000 1.104 723 A CA -0.923 51.231 52.037 0.195 0.000 0.757 723 A CB 1.180 20.290 19.000 0.183 0.000 1.313 723 A HN 0.772 nan 8.150 nan 0.000 0.423 724 L N 0.334 121.737 121.223 0.301 0.000 2.304 724 L HA 0.465 4.806 4.340 0.002 0.000 0.268 724 L C 0.149 177.165 176.870 0.243 0.000 1.010 724 L CA -0.881 54.112 54.840 0.255 0.000 0.813 724 L CB 1.217 43.470 42.059 0.322 0.000 1.315 724 L HN 0.652 nan 8.230 nan 0.000 0.445 725 E N 1.481 121.786 120.200 0.175 0.000 2.217 725 E HA 0.198 4.549 4.350 0.002 0.000 0.279 725 E C -0.344 176.359 176.600 0.171 0.000 1.068 725 E CA -0.328 56.163 56.400 0.151 0.000 0.882 725 E CB 1.407 31.165 29.700 0.098 0.000 1.039 725 E HN 0.572 nan 8.360 nan 0.000 0.418 726 A N 4.367 127.311 122.820 0.207 0.000 2.537 726 A HA -0.020 4.301 4.320 0.002 0.000 0.260 726 A C 0.525 178.167 177.584 0.096 0.000 1.082 726 A CA 0.077 52.225 52.037 0.186 0.000 0.765 726 A CB -0.079 19.071 19.000 0.251 0.000 1.019 726 A HN 0.450 nan 8.150 nan 0.000 0.507 727 K N 2.523 122.938 120.400 0.024 0.000 2.258 727 K HA 0.512 4.833 4.320 0.002 0.000 0.264 727 K C 0.448 177.052 176.600 0.006 0.000 1.007 727 K CA 1.133 57.423 56.287 0.004 0.000 0.941 727 K CB 0.472 32.951 32.500 -0.035 0.000 0.966 727 K HN 1.991 nan 8.250 nan 0.000 0.480 728 G N 2.375 111.185 108.800 0.016 0.000 3.067 728 G HA2 -0.136 3.825 3.960 0.002 0.000 0.686 728 G HA3 -0.136 3.825 3.960 0.002 0.000 0.686 728 G C -0.021 174.905 174.900 0.043 0.000 1.119 728 G CA -0.190 44.924 45.100 0.023 0.000 0.790 728 G HN 0.594 nan 8.290 nan 0.000 0.605 729 K N 0.421 120.843 120.400 0.037 0.000 2.097 729 K HA -0.100 4.221 4.320 0.002 0.000 0.206 729 K C 2.040 178.676 176.600 0.060 0.000 1.049 729 K CA 1.668 57.980 56.287 0.043 0.000 0.933 729 K CB -0.010 32.509 32.500 0.032 0.000 0.717 729 K HN 0.563 nan 8.250 nan 0.000 0.442 730 E N 0.649 120.886 120.200 0.061 0.000 2.268 730 E HA -0.114 4.237 4.350 0.002 0.000 0.195 730 E C 1.641 178.315 176.600 0.125 0.000 0.995 730 E CA 0.904 57.349 56.400 0.075 0.000 0.836 730 E CB 0.088 29.821 29.700 0.055 0.000 0.763 730 E HN 0.378 nan 8.360 nan 0.000 0.491 731 L N -0.197 121.107 121.223 0.135 0.000 2.693 731 L HA 0.175 4.516 4.340 0.002 0.000 0.235 731 L C 1.756 178.816 176.870 0.317 0.000 1.127 731 L CA -0.213 54.781 54.840 0.255 0.000 0.914 731 L CB 0.050 42.173 42.059 0.106 0.000 1.193 731 L HN -0.089 nan 8.230 nan 0.000 0.502 732 K N 1.393 121.892 120.400 0.165 0.000 2.127 732 K HA -0.291 4.030 4.320 0.002 0.000 0.222 732 K C 1.853 178.496 176.600 0.072 0.000 1.034 732 K CA 2.190 58.536 56.287 0.098 0.000 0.955 732 K CB -0.561 31.972 32.500 0.056 0.000 0.786 732 K HN 0.512 nan 8.250 nan 0.000 0.465 733 G N -0.810 107.989 108.800 -0.002 0.000 2.813 733 G HA2 -0.025 3.936 3.960 0.002 0.000 0.209 733 G HA3 -0.025 3.936 3.960 0.002 0.000 0.209 733 G C 0.197 175.015 174.900 -0.138 0.000 1.150 733 G CA -0.011 45.023 45.100 -0.110 0.000 0.785 733 G HN 0.125 nan 8.290 nan 0.000 0.535 734 Y N 0.303 120.625 120.300 0.036 0.000 2.260 734 Y HA 0.460 5.011 4.550 0.002 0.000 0.339 734 Y C 0.639 176.595 175.900 0.094 0.000 1.317 734 Y CA -0.262 57.868 58.100 0.050 0.000 1.514 734 Y CB 0.732 39.208 38.460 0.027 0.000 1.382 734 Y HN -0.257 nan 8.280 nan 0.000 0.581 735 K N 1.533 122.126 120.400 0.322 0.000 2.413 735 K HA 0.283 4.604 4.320 0.002 0.000 0.257 735 K C -1.654 175.133 176.600 0.312 0.000 0.946 735 K CA -0.592 55.858 56.287 0.271 0.000 0.823 735 K CB 1.711 34.342 32.500 0.218 0.000 1.109 735 K HN 0.522 nan 8.250 nan 0.000 0.427 736 F N 2.763 122.815 119.950 0.171 0.000 2.443 736 F HA 0.513 5.041 4.527 0.002 0.000 0.335 736 F C -0.103 175.783 175.800 0.144 0.000 1.104 736 F CA -0.657 57.435 58.000 0.153 0.000 1.013 736 F CB 1.188 40.296 39.000 0.179 0.000 1.136 736 F HN 0.461 nan 8.300 nan 0.000 0.470 737 R N 6.792 126.754 120.500 -0.898 0.000 2.584 737 R HA 0.468 4.809 4.340 0.002 0.000 0.276 737 R C -2.147 173.269 176.300 -1.474 0.000 1.046 737 R CA -0.767 54.741 56.100 -0.987 0.000 0.906 737 R CB 1.381 31.314 30.300 -0.611 0.000 1.215 737 R HN 0.638 nan 8.270 nan 0.000 0.449 738 I N 4.158 123.480 120.570 -2.080 0.000 2.291 738 I HA 0.175 4.346 4.170 0.002 0.000 0.290 738 I C -0.254 175.218 176.117 -1.074 0.000 1.050 738 I CA -0.313 60.089 61.300 -1.497 0.000 1.245 738 I CB 1.115 38.101 38.000 -1.691 0.000 1.405 738 I HN 0.604 nan 8.210 nan 0.000 0.478 739 Q N 6.764 126.211 119.800 -0.588 0.000 2.303 739 Q HA 0.380 4.721 4.340 0.002 0.000 0.257 739 Q C -0.795 175.094 176.000 -0.184 0.000 0.941 739 Q CA -0.340 55.271 55.803 -0.321 0.000 0.931 739 Q CB 0.922 29.568 28.738 -0.153 0.000 1.215 739 Q HN 0.354 nan 8.270 nan 0.000 0.437 740 I N 3.970 124.470 120.570 -0.117 0.000 2.395 740 I HA 0.166 4.337 4.170 0.002 0.000 0.289 740 I C 0.203 176.307 176.117 -0.023 0.000 1.023 740 I CA -0.316 60.953 61.300 -0.053 0.000 1.350 740 I CB 0.919 38.912 38.000 -0.011 0.000 1.409 740 I HN 0.658 nan 8.210 nan 0.000 0.507 741 N N 4.781 123.471 118.700 -0.017 0.000 2.767 741 N HA 0.039 4.780 4.740 0.002 0.000 0.238 741 N C 1.121 176.605 175.510 -0.044 0.000 1.083 741 N CA -0.140 52.892 53.050 -0.031 0.000 0.964 741 N CB 0.630 39.102 38.487 -0.025 0.000 1.252 741 N HN 0.678 nan 8.380 nan 0.000 0.512 742 T N 0.298 114.833 114.554 -0.032 0.000 2.962 742 T HA -0.045 4.306 4.350 0.002 0.000 0.270 742 T C 1.688 176.361 174.700 -0.045 0.000 1.088 742 T CA 0.736 62.821 62.100 -0.026 0.000 1.127 742 T CB -0.057 68.808 68.868 -0.004 0.000 0.883 742 T HN 0.398 nan 8.240 nan 0.000 0.493 743 L N 0.178 121.354 121.223 -0.078 0.000 2.307 743 L HA 0.191 4.532 4.340 0.002 0.000 0.211 743 L C 1.930 178.717 176.870 -0.139 0.000 1.099 743 L CA 0.750 55.536 54.840 -0.090 0.000 0.816 743 L CB -0.170 41.832 42.059 -0.095 0.000 0.952 743 L HN 0.170 nan 8.230 nan 0.000 0.455 744 D N -0.748 119.526 120.400 -0.210 0.000 2.360 744 D HA 0.014 4.655 4.640 0.002 0.000 0.210 744 D C 0.673 176.918 176.300 -0.091 0.000 1.047 744 D CA 0.119 53.973 54.000 -0.244 0.000 0.854 744 D CB 0.222 40.647 40.800 -0.626 0.000 0.936 744 D HN 0.192 nan 8.370 nan 0.000 0.514 745 C N 1.107 120.362 119.300 -0.074 0.000 2.676 745 C HA 0.084 4.545 4.460 0.002 0.000 0.416 745 C C 1.639 176.557 174.990 -0.119 0.000 1.299 745 C CA -0.169 58.814 59.018 -0.058 0.000 2.048 745 C CB -0.080 27.640 27.740 -0.033 0.000 2.713 745 C HN 0.174 nan 8.230 nan 0.000 0.624 746 M N 3.454 122.946 119.600 -0.180 0.000 2.337 746 M HA 0.212 4.693 4.480 0.002 0.000 0.256 746 M C 1.721 177.956 176.300 -0.109 0.000 1.075 746 M CA 1.127 56.291 55.300 -0.226 0.000 1.024 746 M CB -0.724 31.578 32.600 -0.498 0.000 1.429 746 M HN 1.197 nan 8.290 nan 0.000 0.497 747 G N 0.717 109.479 108.800 -0.063 0.000 2.141 747 G HA2 -0.310 3.651 3.960 0.002 0.000 0.242 747 G HA3 -0.310 3.651 3.960 0.002 0.000 0.242 747 G C 1.084 175.974 174.900 -0.017 0.000 0.982 747 G CA 0.572 45.654 45.100 -0.029 0.000 0.662 747 G HN 0.598 nan 8.290 nan 0.000 0.527 748 C N -0.990 118.299 119.300 -0.018 0.000 2.425 748 C HA 0.440 4.901 4.460 0.002 0.000 0.277 748 C C 2.736 177.730 174.990 0.006 0.000 1.280 748 C CA 1.642 60.658 59.018 -0.002 0.000 1.744 748 C CB -0.921 26.824 27.740 0.008 0.000 1.989 748 C HN 2.483 nan 8.230 nan 0.000 0.491 749 G N 0.851 109.657 108.800 0.009 0.000 2.157 749 G HA2 -0.277 3.684 3.960 0.002 0.000 0.248 749 G HA3 -0.277 3.684 3.960 0.002 0.000 0.248 749 G C 0.678 175.589 174.900 0.019 0.000 0.979 749 G CA 0.522 45.631 45.100 0.015 0.000 0.650 749 G HN 0.540 nan 8.290 nan 0.000 0.529 750 N N 0.232 118.942 118.700 0.017 0.000 2.104 750 N HA -0.193 4.548 4.740 0.002 0.000 0.190 750 N C 2.754 178.277 175.510 0.022 0.000 1.024 750 N CA 2.205 55.266 53.050 0.017 0.000 0.853 750 N CB -0.584 37.909 38.487 0.009 0.000 1.008 750 N HN 0.944 nan 8.380 nan 0.000 0.424 751 C N 0.500 119.815 119.300 0.025 0.000 2.413 751 C HA 0.097 4.558 4.460 0.002 0.000 0.277 751 C C 2.815 177.830 174.990 0.041 0.000 1.228 751 C CA 0.710 59.748 59.018 0.033 0.000 1.731 751 C CB -1.359 26.402 27.740 0.034 0.000 2.042 751 C HN 0.360 nan 8.230 nan 0.000 0.468 752 A N 1.196 124.041 122.820 0.041 0.000 1.972 752 A HA -0.188 4.134 4.320 0.002 0.000 0.219 752 A C 1.905 179.511 177.584 0.036 0.000 1.169 752 A CA 2.255 54.319 52.037 0.045 0.000 0.635 752 A CB -0.998 18.027 19.000 0.042 0.000 0.810 752 A HN 0.696 nan 8.150 nan 0.000 0.446 753 D N -1.202 119.215 120.400 0.029 0.000 2.219 753 D HA -0.094 4.547 4.640 0.002 0.000 0.205 753 D C 1.423 177.737 176.300 0.023 0.000 0.970 753 D CA 0.967 54.982 54.000 0.025 0.000 0.851 753 D CB -0.040 40.773 40.800 0.023 0.000 0.943 753 D HN 0.301 nan 8.370 nan 0.000 0.488 754 I N 0.032 120.617 120.570 0.024 0.000 3.462 754 I HA 0.107 4.278 4.170 0.002 0.000 0.290 754 I C 0.260 176.388 176.117 0.018 0.000 1.236 754 I CA -0.069 61.242 61.300 0.018 0.000 1.418 754 I CB -0.127 37.883 38.000 0.015 0.000 1.102 754 I HN 0.109 nan 8.210 nan 0.000 0.441 755 C N 4.056 123.375 119.300 0.032 0.000 2.255 755 C HA -0.062 4.399 4.460 0.002 0.000 0.401 755 C C -0.378 174.628 174.990 0.026 0.000 1.529 755 C CA -0.906 58.137 59.018 0.041 0.000 1.418 755 C CB -0.255 27.523 27.740 0.064 0.000 2.522 755 C HN 0.307 nan 8.230 nan 0.000 0.616 756 P HA -0.095 nan 4.420 nan 0.000 0.217 756 P C -1.690 175.613 177.300 0.005 0.000 1.162 756 P CA 1.505 64.607 63.100 0.003 0.000 0.901 756 P CB -1.049 30.646 31.700 -0.007 0.000 0.793 757 P HA 0.032 nan 4.420 nan 0.000 0.271 757 P C 0.406 177.710 177.300 0.007 0.000 1.216 757 P CA 0.336 63.440 63.100 0.007 0.000 0.776 757 P CB 1.023 32.728 31.700 0.009 0.000 0.881 758 K N 0.733 121.134 120.400 0.002 0.000 2.057 758 K HA -0.080 4.241 4.320 0.002 0.000 0.207 758 K C 0.692 177.292 176.600 0.001 0.000 1.049 758 K CA 1.111 57.399 56.287 0.002 0.000 0.931 758 K CB 0.056 32.556 32.500 -0.001 0.000 0.714 758 K HN 0.515 nan 8.250 nan 0.000 0.440 759 E N 2.502 122.700 120.200 -0.004 0.000 1.932 759 E HA 0.038 4.389 4.350 0.002 0.000 0.275 759 E C -0.548 176.049 176.600 -0.006 0.000 1.159 759 E CA 0.035 56.430 56.400 -0.009 0.000 0.905 759 E CB 0.568 30.258 29.700 -0.016 0.000 1.059 759 E HN 0.036 nan 8.360 nan 0.000 0.400 760 K N 0.831 121.232 120.400 0.002 0.000 2.469 760 K HA 0.031 4.352 4.320 0.002 0.000 0.274 760 K C 0.718 177.324 176.600 0.009 0.000 0.983 760 K CA 0.064 56.359 56.287 0.014 0.000 0.974 760 K CB 0.814 33.327 32.500 0.021 0.000 0.913 760 K HN 0.419 nan 8.250 nan 0.000 0.493 761 A N 3.427 126.270 122.820 0.039 0.000 2.348 761 A HA 0.222 4.543 4.320 0.002 0.000 0.224 761 A C 0.279 177.939 177.584 0.126 0.000 1.227 761 A CA 0.077 52.136 52.037 0.038 0.000 0.885 761 A CB 0.225 19.286 19.000 0.102 0.000 0.933 761 A HN 0.518 nan 8.150 nan 0.000 0.506 762 L N 0.415 121.707 121.223 0.114 0.000 2.438 762 L HA 0.568 4.909 4.340 0.002 0.000 0.270 762 L C -1.514 175.399 176.870 0.072 0.000 0.972 762 L CA -0.694 54.223 54.840 0.128 0.000 0.831 762 L CB 2.460 44.597 42.059 0.129 0.000 1.273 762 L HN -0.107 nan 8.230 nan 0.000 0.405 763 V N 3.806 123.758 119.914 0.063 0.000 2.623 763 V HA 0.416 4.537 4.120 0.002 0.000 0.304 763 V C 0.039 176.157 176.094 0.039 0.000 1.054 763 V CA -0.637 61.686 62.300 0.040 0.000 0.882 763 V CB 2.201 34.039 31.823 0.025 0.000 1.002 763 V HN 0.641 nan 8.190 nan 0.000 0.424 764 M N 4.795 124.413 119.600 0.030 0.000 2.239 764 M HA 0.403 4.884 4.480 0.002 0.000 0.348 764 M C -0.202 176.111 176.300 0.023 0.000 1.239 764 M CA 0.552 55.867 55.300 0.026 0.000 1.114 764 M CB 0.373 32.985 32.600 0.020 0.000 1.641 764 M HN 0.623 nan 8.290 nan 0.000 0.453 765 Q N 2.525 122.338 119.800 0.023 0.000 2.456 765 Q HA 0.554 4.895 4.340 0.002 0.000 0.284 765 Q C -2.563 173.448 176.000 0.020 0.000 1.061 765 Q CA -1.912 53.904 55.803 0.021 0.000 0.799 765 Q CB 1.533 30.285 28.738 0.024 0.000 1.445 765 Q HN 0.321 nan 8.270 nan 0.000 0.411 766 P HA -0.055 nan 4.420 nan 0.000 0.265 766 P C 0.804 178.117 177.300 0.022 0.000 1.187 766 P CA -0.043 63.068 63.100 0.019 0.000 0.766 766 P CB 0.494 32.206 31.700 0.019 0.000 0.820 767 L N 4.423 125.658 121.223 0.021 0.000 2.042 767 L HA -0.226 4.116 4.340 0.002 0.000 0.210 767 L C 1.388 178.275 176.870 0.028 0.000 1.076 767 L CA 2.308 57.161 54.840 0.022 0.000 0.749 767 L CB -1.369 40.702 42.059 0.020 0.000 0.893 767 L HN 0.374 nan 8.230 nan 0.000 0.432 768 D N -2.323 118.097 120.400 0.033 0.000 2.310 768 D HA -0.187 4.454 4.640 0.002 0.000 0.212 768 D C 1.777 178.098 176.300 0.037 0.000 0.965 768 D CA 1.183 55.207 54.000 0.040 0.000 0.879 768 D CB -0.811 40.018 40.800 0.049 0.000 0.921 768 D HN 0.544 nan 8.370 nan 0.000 0.510 769 T N -4.024 110.549 114.554 0.032 0.000 3.129 769 T HA 0.040 4.391 4.350 0.002 0.000 0.251 769 T C 1.457 176.175 174.700 0.030 0.000 1.117 769 T CA 0.182 62.300 62.100 0.030 0.000 1.034 769 T CB 0.169 69.053 68.868 0.026 0.000 0.968 769 T HN 0.036 nan 8.240 nan 0.000 0.526 770 Q N 0.859 120.677 119.800 0.031 0.000 2.471 770 Q HA 0.203 4.544 4.340 0.002 0.000 0.259 770 Q C 2.504 178.523 176.000 0.033 0.000 0.850 770 Q CA 0.430 56.253 55.803 0.033 0.000 0.981 770 Q CB -0.057 28.701 28.738 0.033 0.000 1.180 770 Q HN 0.703 nan 8.270 nan 0.000 0.571 771 R N 1.401 121.919 120.500 0.029 0.000 2.119 771 R HA -0.180 4.161 4.340 0.002 0.000 0.246 771 R C 0.967 177.285 176.300 0.030 0.000 1.146 771 R CA 1.937 58.053 56.100 0.027 0.000 0.962 771 R CB -0.521 29.794 30.300 0.026 0.000 0.863 771 R HN 0.010 nan 8.270 nan 0.000 0.442 772 D N 1.100 121.519 120.400 0.031 0.000 2.123 772 D HA -0.123 4.518 4.640 0.002 0.000 0.196 772 D C 1.979 178.299 176.300 0.033 0.000 0.992 772 D CA 1.922 55.940 54.000 0.030 0.000 0.833 772 D CB -0.206 40.611 40.800 0.028 0.000 0.954 772 D HN 0.497 nan 8.370 nan 0.000 0.455 773 A N 0.690 123.533 122.820 0.038 0.000 1.855 773 A HA -0.110 4.211 4.320 0.002 0.000 0.213 773 A C 2.056 179.676 177.584 0.061 0.000 1.195 773 A CA 0.889 52.955 52.037 0.047 0.000 0.610 773 A CB -0.281 18.747 19.000 0.047 0.000 0.837 773 A HN 0.014 nan 8.150 nan 0.000 0.444 774 Q N -0.077 119.756 119.800 0.056 0.000 2.297 774 Q HA -0.008 4.333 4.340 0.002 0.000 0.204 774 Q C 2.162 178.196 176.000 0.058 0.000 0.962 774 Q CA 0.974 56.814 55.803 0.062 0.000 0.879 774 Q CB -0.834 27.930 28.738 0.045 0.000 0.947 774 Q HN 0.439 nan 8.270 nan 0.000 0.462 775 V N 2.409 122.348 119.914 0.042 0.000 2.237 775 V HA -0.173 3.948 4.120 0.002 0.000 0.245 775 V C -0.689 175.434 176.094 0.048 0.000 1.046 775 V CA 2.179 64.497 62.300 0.030 0.000 1.007 775 V CB -1.451 30.383 31.823 0.019 0.000 0.638 775 V HN 0.247 nan 8.190 nan 0.000 0.445 776 P HA -0.119 nan 4.420 nan 0.000 0.220 776 P C 0.937 178.302 177.300 0.110 0.000 1.148 776 P CA 1.336 64.474 63.100 0.063 0.000 0.803 776 P CB -0.142 31.583 31.700 0.042 0.000 0.782 777 N N -0.015 118.775 118.700 0.149 0.000 2.188 777 N HA -0.079 4.662 4.740 0.002 0.000 0.184 777 N C 1.801 177.502 175.510 0.318 0.000 1.018 777 N CA 0.487 53.714 53.050 0.294 0.000 0.858 777 N CB -1.131 37.549 38.487 0.322 0.000 0.989 777 N HN 0.089 nan 8.380 nan 0.000 0.426 778 L N 1.411 122.739 121.223 0.175 0.000 2.093 778 L HA -0.092 4.249 4.340 0.002 0.000 0.208 778 L C 1.432 178.362 176.870 0.100 0.000 1.085 778 L CA 1.778 56.691 54.840 0.122 0.000 0.755 778 L CB -0.544 41.542 42.059 0.044 0.000 0.904 778 L HN 0.073 nan 8.230 nan 0.000 0.435 779 E N -0.204 120.047 120.200 0.085 0.000 2.023 779 E HA -0.307 4.044 4.350 0.002 0.000 0.196 779 E C 2.035 178.669 176.600 0.056 0.000 1.003 779 E CA 1.781 58.215 56.400 0.056 0.000 0.809 779 E CB -1.058 28.676 29.700 0.056 0.000 0.755 779 E HN 0.611 nan 8.360 nan 0.000 0.449 780 Y N 1.513 121.782 120.300 -0.051 0.000 2.097 780 Y HA -0.223 4.328 4.550 0.002 0.000 0.282 780 Y C 2.400 178.217 175.900 -0.138 0.000 1.152 780 Y CA 2.035 60.049 58.100 -0.144 0.000 1.136 780 Y CB -0.502 37.785 38.460 -0.288 0.000 0.975 780 Y HN 0.043 nan 8.280 nan 0.000 0.498 781 A N 0.331 123.203 122.820 0.086 0.000 2.024 781 A HA -0.120 4.201 4.320 0.002 0.000 0.220 781 A C 2.309 179.881 177.584 -0.020 0.000 1.164 781 A CA 1.673 53.780 52.037 0.118 0.000 0.643 781 A CB -1.396 17.826 19.000 0.370 0.000 0.806 781 A HN 0.624 nan 8.150 nan 0.000 0.451 782 A N -0.350 122.455 122.820 -0.026 0.000 2.119 782 A HA -0.040 4.281 4.320 0.002 0.000 0.217 782 A C 2.040 179.573 177.584 -0.085 0.000 1.153 782 A CA 1.141 53.156 52.037 -0.036 0.000 0.692 782 A CB -0.281 18.710 19.000 -0.014 0.000 0.799 782 A HN 0.563 nan 8.150 nan 0.000 0.458 783 R N -0.709 119.692 120.500 -0.165 0.000 2.317 783 R HA 0.324 4.665 4.340 0.002 0.000 0.208 783 R C -0.326 175.848 176.300 -0.211 0.000 0.914 783 R CA -0.069 55.921 56.100 -0.183 0.000 1.060 783 R CB 0.061 30.224 30.300 -0.227 0.000 1.015 783 R HN 0.424 nan 8.270 nan 0.000 0.498 784 I N 2.675 123.112 120.570 -0.222 0.000 2.441 784 I HA 0.158 4.329 4.170 0.002 0.000 0.287 784 I C -2.018 174.046 176.117 -0.087 0.000 1.049 784 I CA -2.385 58.812 61.300 -0.171 0.000 1.381 784 I CB 0.839 38.754 38.000 -0.142 0.000 1.409 784 I HN -0.264 nan 8.210 nan 0.000 0.523 785 P HA 0.022 nan 4.420 nan 0.000 0.264 785 P C -0.546 176.731 177.300 -0.040 0.000 1.193 785 P CA -0.163 62.911 63.100 -0.044 0.000 0.763 785 P CB 0.347 32.028 31.700 -0.031 0.000 0.810 786 V N 5.309 125.205 119.914 -0.029 0.000 2.572 786 V HA 0.027 4.148 4.120 0.002 0.000 0.291 786 V C 1.007 177.074 176.094 -0.045 0.000 1.039 786 V CA 0.192 62.481 62.300 -0.018 0.000 1.055 786 V CB 0.241 32.068 31.823 0.007 0.000 0.969 786 V HN 0.406 nan 8.190 nan 0.000 0.482 787 K N 3.721 124.055 120.400 -0.111 0.000 2.333 787 K HA 0.165 4.486 4.320 0.002 0.000 0.241 787 K C 1.257 177.796 176.600 -0.101 0.000 1.193 787 K CA 0.108 56.288 56.287 -0.178 0.000 1.142 787 K CB 0.473 32.722 32.500 -0.418 0.000 1.731 787 K HN 0.834 nan 8.250 nan 0.000 0.344 788 S N -0.123 115.564 115.700 -0.022 0.000 2.522 788 S HA -0.024 4.447 4.470 0.002 0.000 0.227 788 S C 0.864 175.470 174.600 0.009 0.000 0.986 788 S CA 0.404 58.616 58.200 0.020 0.000 0.929 788 S CB 0.139 63.347 63.200 0.013 0.000 0.769 788 S HN 0.273 nan 8.310 nan 0.000 0.529 789 E N 1.050 121.241 120.200 -0.014 0.000 2.474 789 E HA 0.228 4.579 4.350 0.002 0.000 0.195 789 E C 1.537 178.132 176.600 -0.007 0.000 1.039 789 E CA 0.098 56.496 56.400 -0.004 0.000 0.881 789 E CB 0.285 29.985 29.700 0.001 0.000 0.970 789 E HN 0.517 nan 8.360 nan 0.000 0.486 790 V N -0.058 119.833 119.914 -0.038 0.000 2.685 790 V HA 0.093 4.214 4.120 0.002 0.000 0.244 790 V C 1.194 177.294 176.094 0.010 0.000 1.054 790 V CA 0.826 63.097 62.300 -0.047 0.000 1.076 790 V CB 0.072 31.773 31.823 -0.203 0.000 0.725 790 V HN 0.079 nan 8.190 nan 0.000 0.467 791 L N -0.477 120.779 121.223 0.056 0.000 2.301 791 L HA 0.519 4.860 4.340 0.002 0.000 0.264 791 L C -2.659 174.247 176.870 0.060 0.000 1.016 791 L CA -2.033 52.855 54.840 0.080 0.000 0.821 791 L CB 1.648 43.797 42.059 0.149 0.000 1.346 791 L HN -0.044 nan 8.230 nan 0.000 0.429 792 P HA 0.064 nan 4.420 nan 0.000 0.264 792 P C 0.162 177.472 177.300 0.018 0.000 1.193 792 P CA 0.008 63.123 63.100 0.025 0.000 0.763 792 P CB 0.591 32.303 31.700 0.020 0.000 0.810 793 R N 3.320 123.821 120.500 0.001 0.000 2.127 793 R HA -0.174 4.167 4.340 0.002 0.000 0.238 793 R C 0.864 177.130 176.300 -0.057 0.000 1.134 793 R CA 1.899 57.982 56.100 -0.029 0.000 0.975 793 R CB -0.155 30.112 30.300 -0.055 0.000 0.865 793 R HN 0.540 nan 8.270 nan 0.000 0.447 794 D N -0.292 120.079 120.400 -0.048 0.000 2.325 794 D HA -0.027 4.614 4.640 0.002 0.000 0.225 794 D C -0.009 176.283 176.300 -0.012 0.000 1.096 794 D CA -0.088 53.880 54.000 -0.053 0.000 0.844 794 D CB 0.118 40.891 40.800 -0.044 0.000 0.925 794 D HN 0.144 nan 8.370 nan 0.000 0.513 795 S N -0.734 114.964 115.700 -0.002 0.000 2.646 795 S HA 0.281 4.752 4.470 0.002 0.000 0.276 795 S C 1.275 175.875 174.600 0.000 0.000 1.222 795 S CA -0.928 57.272 58.200 -0.001 0.000 1.014 795 S CB 1.938 65.138 63.200 -0.001 0.000 0.991 795 S HN 0.140 nan 8.310 nan 0.000 0.533 796 L N 1.165 122.365 121.223 -0.038 0.000 1.956 796 L HA -0.154 4.187 4.340 0.002 0.000 0.216 796 L C 2.795 179.616 176.870 -0.082 0.000 1.073 796 L CA 1.913 56.696 54.840 -0.096 0.000 0.762 796 L CB -0.470 41.467 42.059 -0.204 0.000 0.889 796 L HN 0.951 nan 8.230 nan 0.000 0.433 797 K N -0.797 119.529 120.400 -0.124 0.000 2.097 797 K HA -0.146 4.175 4.320 0.002 0.000 0.206 797 K C 1.880 178.313 176.600 -0.278 0.000 1.049 797 K CA 1.267 57.425 56.287 -0.215 0.000 0.933 797 K CB -0.318 32.083 32.500 -0.165 0.000 0.717 797 K HN 0.541 nan 8.250 nan 0.000 0.442 798 G N 0.637 109.387 108.800 -0.083 0.000 2.421 798 G HA2 -0.316 3.645 3.960 0.002 0.000 0.216 798 G HA3 -0.316 3.645 3.960 0.002 0.000 0.216 798 G C 1.495 176.386 174.900 -0.016 0.000 1.171 798 G CA 1.291 46.401 45.100 0.017 0.000 0.775 798 G HN 0.497 nan 8.290 nan 0.000 0.543 799 S N 0.275 115.965 115.700 -0.017 0.000 2.380 799 S HA -0.204 4.267 4.470 0.002 0.000 0.229 799 S C 1.988 176.559 174.600 -0.049 0.000 1.043 799 S CA 1.728 59.920 58.200 -0.013 0.000 1.038 799 S CB -0.353 62.894 63.200 0.078 0.000 0.872 799 S HN 0.335 nan 8.310 nan 0.000 0.456 800 Q N 0.023 119.756 119.800 -0.111 0.000 2.466 800 Q HA 0.296 4.637 4.340 0.002 0.000 0.210 800 Q C 0.488 176.393 176.000 -0.158 0.000 0.961 800 Q CA 0.347 56.052 55.803 -0.164 0.000 0.953 800 Q CB -0.538 28.087 28.738 -0.189 0.000 1.011 800 Q HN 0.818 nan 8.270 nan 0.000 0.516 801 F N 0.148 120.097 119.950 -0.002 0.000 2.647 801 F HA 0.167 4.695 4.527 0.002 0.000 0.300 801 F C 0.813 176.589 175.800 -0.040 0.000 1.106 801 F CA -0.590 57.397 58.000 -0.021 0.000 1.313 801 F CB 0.888 39.870 39.000 -0.030 0.000 1.007 801 F HN -0.094 nan 8.300 nan 0.000 0.536 802 Q N 0.780 120.637 119.800 0.095 0.000 2.204 802 Q HA 0.254 4.595 4.340 0.002 0.000 0.254 802 Q C -0.301 175.696 176.000 -0.006 0.000 0.981 802 Q CA -0.435 55.381 55.803 0.022 0.000 0.897 802 Q CB 1.283 30.000 28.738 -0.034 0.000 1.273 802 Q HN 0.299 nan 8.270 nan 0.000 0.464 803 E N 3.116 123.301 120.200 -0.024 0.000 2.180 803 E HA 0.193 4.544 4.350 0.002 0.000 0.283 803 E C -2.096 174.461 176.600 -0.073 0.000 1.061 803 E CA -1.590 54.785 56.400 -0.041 0.000 0.861 803 E CB 0.722 30.401 29.700 -0.034 0.000 1.056 803 E HN 0.177 nan 8.360 nan 0.000 0.407 804 P HA 0.068 nan 4.420 nan 0.000 0.281 804 P C -0.171 177.041 177.300 -0.146 0.000 1.252 804 P CA -0.006 63.010 63.100 -0.140 0.000 0.778 804 P CB 0.774 32.366 31.700 -0.179 0.000 0.895 805 L N 3.405 124.560 121.223 -0.112 0.000 2.984 805 L HA 0.408 4.749 4.340 0.002 0.000 0.246 805 L C 0.634 177.439 176.870 -0.108 0.000 1.268 805 L CA 0.200 54.995 54.840 -0.075 0.000 1.054 805 L CB -0.101 41.966 42.059 0.013 0.000 1.393 805 L HN 0.366 nan 8.230 nan 0.000 0.532 806 M N 1.595 121.030 119.600 -0.276 0.000 2.265 806 M HA 0.401 4.882 4.480 0.002 0.000 0.251 806 M C -1.850 174.153 176.300 -0.494 0.000 1.005 806 M CA 0.155 55.165 55.300 -0.484 0.000 0.998 806 M CB 1.822 34.056 32.600 -0.609 0.000 2.070 806 M HN 0.172 nan 8.290 nan 0.000 0.476 807 E N 4.070 123.927 120.200 -0.572 0.000 2.390 807 E HA 0.560 4.911 4.350 0.002 0.000 0.277 807 E C -0.905 175.271 176.600 -0.706 0.000 0.939 807 E CA -0.848 55.039 56.400 -0.855 0.000 0.769 807 E CB 1.844 30.625 29.700 -1.533 0.000 1.251 807 E HN 0.672 nan 8.360 nan 0.000 0.450 808 F N -0.013 119.894 119.950 -0.072 0.000 3.074 808 F HA -0.275 4.253 4.527 0.001 0.000 0.287 808 F C 0.803 176.634 175.800 0.051 0.000 0.932 808 F CA 0.230 58.248 58.000 0.029 0.000 0.995 808 F CB -1.837 37.166 39.000 0.006 0.000 0.966 808 F HN 0.389 nan 8.300 nan 0.000 0.721 809 S N 0.574 116.309 115.700 0.058 0.000 2.617 809 S HA 0.528 4.999 4.470 0.002 0.000 0.259 809 S C 1.300 176.016 174.600 0.195 0.000 1.301 809 S CA -0.159 58.084 58.200 0.071 0.000 0.984 809 S CB 1.672 64.827 63.200 -0.074 0.000 0.954 809 S HN 0.484 nan 8.310 nan 0.000 0.572 810 G N -0.380 108.557 108.800 0.230 0.000 3.210 810 G HA2 0.461 4.422 3.960 0.002 0.000 0.220 810 G HA3 0.461 4.422 3.960 0.002 0.000 0.220 810 G C 0.460 175.509 174.900 0.249 0.000 1.200 810 G CA 0.020 45.264 45.100 0.240 0.000 0.834 810 G HN 1.109 nan 8.290 nan 0.000 0.524 811 A N -0.465 122.465 122.820 0.182 0.000 2.425 811 A HA 0.430 4.751 4.320 0.002 0.000 0.242 811 A C 0.929 178.632 177.584 0.199 0.000 1.077 811 A CA -0.339 51.744 52.037 0.076 0.000 0.781 811 A CB 0.069 18.785 19.000 -0.474 0.000 1.020 811 A HN 0.371 nan 8.150 nan 0.000 0.494 812 C N 0.695 120.075 119.300 0.134 0.000 2.741 812 C HA 0.302 4.763 4.460 0.002 0.000 0.403 812 C C 1.568 176.648 174.990 0.150 0.000 1.282 812 C CA -0.111 58.977 59.018 0.116 0.000 2.053 812 C CB -0.226 27.558 27.740 0.074 0.000 2.731 812 C HN 0.910 nan 8.230 nan 0.000 0.680 813 S N 0.812 116.550 115.700 0.064 0.000 2.516 813 S HA 0.403 4.874 4.470 0.002 0.000 0.282 813 S C 1.157 175.791 174.600 0.056 0.000 1.286 813 S CA 0.803 59.013 58.200 0.016 0.000 1.066 813 S CB -0.373 62.804 63.200 -0.038 0.000 0.884 813 S HN 1.930 nan 8.310 nan 0.000 0.491 814 G N 3.164 112.016 108.800 0.087 0.000 2.143 814 G HA2 -0.273 3.688 3.960 0.002 0.000 0.249 814 G HA3 -0.273 3.688 3.960 0.002 0.000 0.249 814 G C 0.606 175.513 174.900 0.011 0.000 0.981 814 G CA -0.071 45.053 45.100 0.040 0.000 0.665 814 G HN 1.165 nan 8.290 nan 0.000 0.528 815 C N 1.039 120.345 119.300 0.009 0.000 2.502 815 C HA 0.432 4.893 4.460 0.002 0.000 0.404 815 C C 2.202 177.146 174.990 -0.077 0.000 1.409 815 C CA 1.257 60.244 59.018 -0.051 0.000 1.648 815 C CB -0.048 27.602 27.740 -0.150 0.000 2.571 815 C HN 1.128 nan 8.230 nan 0.000 0.601 816 G N 3.185 111.963 108.800 -0.036 0.000 2.985 816 G HA2 0.032 3.993 3.960 0.002 0.000 0.209 816 G HA3 0.032 3.993 3.960 0.002 0.000 0.209 816 G C 1.280 176.225 174.900 0.075 0.000 1.165 816 G CA 0.301 45.393 45.100 -0.013 0.000 0.776 816 G HN 0.912 nan 8.290 nan 0.000 0.541 817 E N 0.393 120.626 120.200 0.056 0.000 2.075 817 E HA -0.079 4.272 4.350 0.002 0.000 0.190 817 E C 2.831 179.477 176.600 0.077 0.000 0.969 817 E CA 1.281 57.792 56.400 0.185 0.000 0.815 817 E CB -0.162 29.729 29.700 0.319 0.000 0.776 817 E HN 0.456 nan 8.360 nan 0.000 0.457 818 T N -0.175 114.196 114.554 -0.305 0.000 2.833 818 T HA -0.085 4.266 4.350 0.002 0.000 0.269 818 T C -1.151 173.351 174.700 -0.330 0.000 1.054 818 T CA 0.682 62.469 62.100 -0.522 0.000 1.135 818 T CB -1.345 66.969 68.868 -0.924 0.000 0.869 818 T HN -0.021 nan 8.240 nan 0.000 0.466 819 P HA -0.024 nan 4.420 nan 0.000 0.217 819 P C 0.889 178.000 177.300 -0.314 0.000 1.150 819 P CA 0.988 63.882 63.100 -0.345 0.000 0.832 819 P CB -0.228 31.229 31.700 -0.405 0.000 0.787 820 Y N -1.038 119.171 120.300 -0.152 0.000 2.145 820 Y HA -0.171 4.380 4.550 0.002 0.000 0.286 820 Y C 2.388 178.255 175.900 -0.055 0.000 1.145 820 Y CA 0.792 58.840 58.100 -0.086 0.000 1.148 820 Y CB -1.341 37.179 38.460 0.100 0.000 0.981 820 Y HN -0.271 nan 8.280 nan 0.000 0.507 821 V N 0.299 120.280 119.914 0.111 0.000 2.407 821 V HA -0.308 3.813 4.120 0.002 0.000 0.248 821 V C 2.398 178.491 176.094 -0.001 0.000 1.055 821 V CA 2.067 64.403 62.300 0.060 0.000 1.049 821 V CB -0.617 31.356 31.823 0.250 0.000 0.662 821 V HN 0.334 nan 8.190 nan 0.000 0.455 822 R N 0.377 120.807 120.500 -0.116 0.000 2.070 822 R HA -0.158 4.183 4.340 0.002 0.000 0.233 822 R C 2.390 178.581 176.300 -0.183 0.000 1.137 822 R CA 2.124 58.114 56.100 -0.184 0.000 0.945 822 R CB -0.529 29.613 30.300 -0.264 0.000 0.845 822 R HN 0.445 nan 8.270 nan 0.000 0.430 823 V N 0.229 120.012 119.914 -0.219 0.000 2.626 823 V HA -0.128 3.993 4.120 0.002 0.000 0.252 823 V C 1.996 177.958 176.094 -0.220 0.000 1.067 823 V CA 1.637 63.777 62.300 -0.267 0.000 1.081 823 V CB -0.348 31.221 31.823 -0.424 0.000 0.686 823 V HN 0.383 nan 8.190 nan 0.000 0.468 824 I N 2.041 122.516 120.570 -0.157 0.000 2.208 824 I HA -0.229 3.942 4.170 0.002 0.000 0.245 824 I C 2.834 178.852 176.117 -0.165 0.000 1.097 824 I CA 2.252 63.426 61.300 -0.210 0.000 1.363 824 I CB -0.770 37.066 38.000 -0.275 0.000 1.051 824 I HN 0.610 nan 8.210 nan 0.000 0.413 825 T N -1.968 112.535 114.554 -0.085 0.000 2.962 825 T HA -0.177 4.174 4.350 0.002 0.000 0.270 825 T C 1.668 176.303 174.700 -0.107 0.000 1.088 825 T CA 0.929 63.005 62.100 -0.040 0.000 1.127 825 T CB -0.272 68.612 68.868 0.028 0.000 0.883 825 T HN 0.418 nan 8.240 nan 0.000 0.493 826 Q N -0.187 119.512 119.800 -0.168 0.000 2.378 826 Q HA 0.200 4.542 4.340 0.002 0.000 0.205 826 Q C 1.570 177.422 176.000 -0.247 0.000 0.954 826 Q CA 0.596 56.295 55.803 -0.174 0.000 0.901 826 Q CB -0.044 28.590 28.738 -0.173 0.000 0.981 826 Q HN 0.413 nan 8.270 nan 0.000 0.483 827 L N -2.278 118.695 121.223 -0.416 0.000 2.388 827 L HA 0.113 4.455 4.340 0.002 0.000 0.209 827 L C 0.776 177.152 176.870 -0.825 0.000 1.061 827 L CA 1.210 55.604 54.840 -0.743 0.000 0.834 827 L CB 0.413 41.760 42.059 -1.186 0.000 1.029 827 L HN 0.125 nan 8.230 nan 0.000 0.473 828 F N -2.268 117.654 119.950 -0.047 0.000 2.798 828 F HA 0.362 4.890 4.527 0.002 0.000 0.328 828 F C 2.036 177.829 175.800 -0.012 0.000 1.098 828 F CA 0.124 58.126 58.000 0.004 0.000 1.172 828 F CB -0.651 38.385 39.000 0.059 0.000 1.072 828 F HN -0.066 nan 8.300 nan 0.000 0.555 829 G N 1.714 110.561 108.800 0.078 0.000 2.649 829 G HA2 -0.370 3.591 3.960 0.002 0.000 0.220 829 G HA3 -0.370 3.591 3.960 0.002 0.000 0.220 829 G C 1.681 176.617 174.900 0.059 0.000 1.189 829 G CA 1.667 46.804 45.100 0.062 0.000 0.777 829 G HN 0.440 nan 8.290 nan 0.000 0.602 830 E N 1.633 121.862 120.200 0.049 0.000 2.401 830 E HA -0.202 4.149 4.350 0.002 0.000 0.199 830 E C 1.846 178.469 176.600 0.037 0.000 1.023 830 E CA 1.256 57.676 56.400 0.034 0.000 0.859 830 E CB -0.284 29.435 29.700 0.032 0.000 0.780 830 E HN 0.741 nan 8.360 nan 0.000 0.523 831 R N 0.537 121.087 120.500 0.083 0.000 2.642 831 R HA 0.356 4.697 4.340 0.002 0.000 0.435 831 R C 0.671 177.034 176.300 0.105 0.000 1.046 831 R CA -0.308 55.844 56.100 0.086 0.000 1.103 831 R CB -0.215 30.172 30.300 0.144 0.000 1.425 831 R HN 0.115 nan 8.270 nan 0.000 0.586 832 M N -0.664 118.975 119.600 0.065 0.000 2.578 832 M HA 0.564 5.045 4.480 0.002 0.000 0.321 832 M C -1.472 174.803 176.300 -0.040 0.000 1.182 832 M CA -0.730 54.646 55.300 0.127 0.000 0.965 832 M CB 1.503 34.206 32.600 0.171 0.000 1.694 832 M HN -0.201 nan 8.290 nan 0.000 0.461 833 F N 1.930 121.907 119.950 0.045 0.000 2.450 833 F HA 0.687 5.215 4.527 0.002 0.000 0.332 833 F C -0.387 175.341 175.800 -0.120 0.000 1.093 833 F CA -0.565 57.400 58.000 -0.058 0.000 1.003 833 F CB 1.871 40.816 39.000 -0.091 0.000 1.151 833 F HN 0.476 nan 8.300 nan 0.000 0.474 834 I N 2.604 123.119 120.570 -0.091 0.000 2.468 834 I HA 0.441 4.612 4.170 0.002 0.000 0.285 834 I C -0.764 175.072 176.117 -0.467 0.000 1.039 834 I CA -0.760 60.314 61.300 -0.376 0.000 1.074 834 I CB 1.732 39.355 38.000 -0.628 0.000 1.228 834 I HN 0.652 nan 8.210 nan 0.000 0.436 835 A N 5.130 127.740 122.820 -0.352 0.000 2.294 835 A HA 0.453 4.774 4.320 0.002 0.000 0.316 835 A C -0.429 176.970 177.584 -0.307 0.000 1.359 835 A CA -0.369 51.515 52.037 -0.256 0.000 0.956 835 A CB -0.047 18.864 19.000 -0.148 0.000 1.155 835 A HN 0.771 nan 8.150 nan 0.000 0.544 836 N N 1.723 120.134 118.700 -0.481 0.000 2.437 836 N HA 0.537 5.278 4.740 0.002 0.000 0.259 836 N C 0.124 175.430 175.510 -0.340 0.000 0.983 836 N CA -0.124 52.665 53.050 -0.436 0.000 0.937 836 N CB 1.150 39.215 38.487 -0.704 0.000 1.122 836 N HN 0.755 nan 8.380 nan 0.000 0.499 837 A N 2.508 125.102 122.820 -0.376 0.000 2.445 837 A HA 0.197 4.518 4.320 0.002 0.000 0.242 837 A C 0.357 177.919 177.584 -0.036 0.000 1.075 837 A CA -0.123 51.716 52.037 -0.329 0.000 0.777 837 A CB 0.027 18.597 19.000 -0.716 0.000 1.013 837 A HN 0.645 nan 8.150 nan 0.000 0.493 838 T N 1.224 115.845 114.554 0.111 0.000 2.937 838 T HA 0.494 4.845 4.350 0.002 0.000 0.316 838 T C 0.748 175.434 174.700 -0.022 0.000 1.079 838 T CA 1.067 63.189 62.100 0.038 0.000 1.131 838 T CB 0.534 69.408 68.868 0.009 0.000 1.000 838 T HN 1.846 nan 8.240 nan 0.000 0.549 839 G N 0.018 108.766 108.800 -0.087 0.000 2.356 839 G HA2 0.085 4.046 3.960 0.002 0.000 0.288 839 G HA3 0.085 4.046 3.960 0.002 0.000 0.288 839 G C 0.795 175.648 174.900 -0.078 0.000 1.302 839 G CA -0.302 44.749 45.100 -0.081 0.000 0.887 839 G HN 0.703 nan 8.290 nan 0.000 0.521 840 C N 0.354 119.637 119.300 -0.028 0.000 2.385 840 C HA -0.113 4.348 4.460 0.002 0.000 0.275 840 C C 3.423 178.166 174.990 -0.413 0.000 1.207 840 C CA 2.966 61.972 59.018 -0.019 0.000 1.760 840 C CB -1.329 26.518 27.740 0.178 0.000 2.051 840 C HN 1.187 nan 8.230 nan 0.000 0.467 841 S N 0.804 116.238 115.700 -0.444 0.000 2.442 841 S HA -0.138 4.333 4.470 0.002 0.000 0.236 841 S C 1.658 175.788 174.600 -0.783 0.000 1.007 841 S CA 1.716 59.280 58.200 -1.060 0.000 0.965 841 S CB -0.561 62.489 63.200 -0.249 0.000 0.773 841 S HN 0.816 nan 8.310 nan 0.000 0.504 842 S N 0.912 116.461 115.700 -0.252 0.000 2.470 842 S HA 0.219 4.690 4.470 0.002 0.000 0.222 842 S C 1.720 176.289 174.600 -0.051 0.000 1.024 842 S CA -0.006 58.253 58.200 0.098 0.000 0.931 842 S CB -0.395 62.900 63.200 0.158 0.000 0.791 842 S HN 0.364 nan 8.310 nan 0.000 0.513 843 I N 2.343 122.823 120.570 -0.149 0.000 2.277 843 I HA 0.014 4.185 4.170 0.002 0.000 0.243 843 I C 2.588 178.712 176.117 0.012 0.000 1.094 843 I CA 0.813 62.080 61.300 -0.055 0.000 1.393 843 I CB -1.648 36.343 38.000 -0.014 0.000 1.078 843 I HN 0.658 nan 8.210 nan 0.000 0.417 844 W N 0.924 122.269 121.300 0.075 0.000 2.584 844 W HA 0.180 4.842 4.660 0.002 0.000 0.264 844 W C 1.803 178.328 176.519 0.011 0.000 1.264 844 W CA 0.678 58.049 57.345 0.044 0.000 1.306 844 W CB -1.312 28.169 29.460 0.035 0.000 1.110 844 W HN 0.113 nan 8.180 nan 0.000 0.606 845 G N 1.173 109.908 108.800 -0.109 0.000 2.464 845 G HA2 0.163 4.124 3.960 0.002 0.000 0.217 845 G HA3 0.163 4.124 3.960 0.002 0.000 0.217 845 G C 0.987 175.670 174.900 -0.361 0.000 1.138 845 G CA 1.042 46.076 45.100 -0.111 0.000 0.793 845 G HN 0.331 nan 8.290 nan 0.000 0.539 846 A N -0.246 122.392 122.820 -0.304 0.000 3.214 846 A HA 0.576 4.897 4.320 0.002 0.000 0.203 846 A C 0.062 177.553 177.584 -0.155 0.000 0.960 846 A CA -0.282 51.563 52.037 -0.320 0.000 1.113 846 A CB 0.018 18.661 19.000 -0.596 0.000 1.280 846 A HN 0.028 nan 8.150 nan 0.000 0.573 847 S N 1.872 117.530 115.700 -0.070 0.000 2.422 847 S HA 0.516 4.987 4.470 0.002 0.000 0.283 847 S C 0.869 175.421 174.600 -0.080 0.000 1.163 847 S CA 0.192 58.368 58.200 -0.039 0.000 1.054 847 S CB 0.653 63.873 63.200 0.034 0.000 0.967 847 S HN 1.150 nan 8.310 nan 0.000 0.499 848 A N 5.488 128.196 122.820 -0.187 0.000 2.561 848 A HA 0.271 4.592 4.320 0.002 0.000 0.234 848 A C -1.129 176.433 177.584 -0.037 0.000 1.055 848 A CA -0.673 51.182 52.037 -0.304 0.000 0.756 848 A CB -0.082 18.655 19.000 -0.438 0.000 0.986 848 A HN 0.627 nan 8.150 nan 0.000 0.505 849 P HA 0.118 nan 4.420 nan 0.000 0.266 849 P C -0.080 177.363 177.300 0.240 0.000 1.561 849 P CA 0.069 63.279 63.100 0.184 0.000 1.089 849 P CB 0.258 32.172 31.700 0.357 0.000 1.534 850 S N 1.483 117.272 115.700 0.147 0.000 2.404 850 S HA 0.483 4.954 4.470 0.002 0.000 0.309 850 S C 0.098 174.778 174.600 0.134 0.000 1.076 850 S CA -0.567 57.752 58.200 0.198 0.000 1.095 850 S CB -0.279 63.038 63.200 0.194 0.000 0.972 850 S HN -0.113 nan 8.310 nan 0.000 0.484 851 M N 7.985 127.692 119.600 0.179 0.000 2.055 851 M HA 0.324 4.805 4.480 0.002 0.000 0.346 851 M C -1.834 174.525 176.300 0.099 0.000 1.074 851 M CA -2.784 52.582 55.300 0.110 0.000 1.009 851 M CB 0.967 33.656 32.600 0.149 0.000 1.423 851 M HN 0.419 nan 8.290 nan 0.000 0.410 852 P HA -0.125 nan 4.420 nan 0.000 0.219 852 P C -0.002 177.199 177.300 -0.165 0.000 1.150 852 P CA 1.116 64.172 63.100 -0.073 0.000 0.814 852 P CB 0.063 31.699 31.700 -0.107 0.000 0.787 853 Y N 1.902 122.156 120.300 -0.077 0.000 2.425 853 Y HA 0.113 4.664 4.550 0.002 0.000 0.331 853 Y C 1.623 177.492 175.900 -0.051 0.000 1.157 853 Y CA 0.287 58.349 58.100 -0.063 0.000 1.372 853 Y CB 0.426 38.842 38.460 -0.073 0.000 1.253 853 Y HN 0.036 nan 8.280 nan 0.000 0.536 854 K N -0.550 119.899 120.400 0.082 0.000 2.399 854 K HA 0.760 5.081 4.320 0.002 0.000 0.260 854 K C -0.995 175.627 176.600 0.035 0.000 1.049 854 K CA -1.058 55.249 56.287 0.034 0.000 0.890 854 K CB 1.474 33.950 32.500 -0.041 0.000 1.430 854 K HN 0.512 nan 8.250 nan 0.000 0.459 855 T N -1.082 113.483 114.554 0.018 0.000 2.944 855 T HA 0.320 4.671 4.350 0.002 0.000 0.284 855 T C 0.114 174.812 174.700 -0.004 0.000 1.010 855 T CA -0.845 61.261 62.100 0.011 0.000 1.025 855 T CB 0.731 69.605 68.868 0.011 0.000 1.079 855 T HN 0.742 nan 8.240 nan 0.000 0.516 856 N N 0.328 119.025 118.700 -0.004 0.000 2.431 856 N HA 0.172 4.913 4.740 0.002 0.000 0.289 856 N C 1.238 176.743 175.510 -0.007 0.000 1.277 856 N CA -1.093 51.950 53.050 -0.011 0.000 0.972 856 N CB 0.246 38.727 38.487 -0.009 0.000 1.143 856 N HN 0.829 nan 8.380 nan 0.000 0.578 857 R N -0.879 119.616 120.500 -0.009 0.000 2.293 857 R HA 0.017 4.358 4.340 0.002 0.000 0.219 857 R C 0.593 176.892 176.300 -0.002 0.000 1.091 857 R CA 1.121 57.218 56.100 -0.006 0.000 1.004 857 R CB -0.732 29.562 30.300 -0.009 0.000 0.865 857 R HN 0.538 nan 8.270 nan 0.000 0.469 858 L N 0.193 121.415 121.223 -0.001 0.000 2.728 858 L HA 0.339 4.680 4.340 0.002 0.000 0.238 858 L C 0.829 177.698 176.870 -0.001 0.000 1.143 858 L CA 0.322 55.162 54.840 -0.000 0.000 0.937 858 L CB 0.676 42.737 42.059 0.002 0.000 1.225 858 L HN 0.558 nan 8.230 nan 0.000 0.507 859 G N 0.180 108.979 108.800 -0.001 0.000 2.143 859 G HA2 -0.262 3.699 3.960 0.002 0.000 0.249 859 G HA3 -0.262 3.699 3.960 0.002 0.000 0.249 859 G C 0.123 175.019 174.900 -0.008 0.000 0.981 859 G CA -0.116 44.983 45.100 -0.002 0.000 0.665 859 G HN 0.443 nan 8.290 nan 0.000 0.528 860 Q N -0.418 119.378 119.800 -0.006 0.000 2.222 860 Q HA 0.657 4.998 4.340 0.002 0.000 0.252 860 Q C 0.426 176.423 176.000 -0.005 0.000 0.926 860 Q CA -0.012 55.784 55.803 -0.012 0.000 0.899 860 Q CB 2.086 30.822 28.738 -0.005 0.000 1.250 860 Q HN 0.897 nan 8.270 nan 0.000 0.441 861 G N 1.197 109.988 108.800 -0.014 0.000 2.451 861 G HA2 0.354 4.315 3.960 0.002 0.000 0.292 861 G HA3 0.354 4.315 3.960 0.002 0.000 0.292 861 G C -3.102 171.789 174.900 -0.014 0.000 1.427 861 G CA -1.027 44.079 45.100 0.009 0.000 0.792 861 G HN 0.297 nan 8.290 nan 0.000 0.498 862 P HA 0.388 nan 4.420 nan 0.000 0.263 862 P C -0.012 177.248 177.300 -0.067 0.000 1.195 862 P CA 0.242 63.328 63.100 -0.024 0.000 0.762 862 P CB 0.991 32.717 31.700 0.044 0.000 0.799 863 A N 4.231 126.946 122.820 -0.175 0.000 2.437 863 A HA 0.214 4.535 4.320 0.002 0.000 0.303 863 A C -0.788 176.776 177.584 -0.033 0.000 1.324 863 A CA -0.374 51.569 52.037 -0.157 0.000 0.983 863 A CB -0.671 18.073 19.000 -0.427 0.000 1.142 863 A HN 0.636 nan 8.150 nan 0.000 0.541 864 W N 2.770 123.959 121.300 -0.186 0.000 2.469 864 W HA 0.581 5.242 4.660 0.001 0.000 0.320 864 W C 0.268 176.748 176.519 -0.066 0.000 1.086 864 W CA 0.196 57.412 57.345 -0.215 0.000 1.211 864 W CB 1.748 30.956 29.460 -0.420 0.000 1.298 864 W HN 0.838 nan 8.180 nan 0.000 0.525 865 G N 4.266 112.848 108.800 -0.363 0.000 2.719 865 G HA2 0.216 4.177 3.960 0.002 0.000 0.298 865 G HA3 0.216 4.177 3.960 0.002 0.000 0.298 865 G C -2.070 172.474 174.900 -0.593 0.000 1.411 865 G CA -0.970 44.035 45.100 -0.158 0.000 0.991 865 G HN 0.540 nan 8.290 nan 0.000 0.509 866 N N 1.381 119.876 118.700 -0.342 0.000 2.443 866 N HA 0.331 5.072 4.740 0.002 0.000 0.269 866 N C 0.483 175.808 175.510 -0.308 0.000 0.985 866 N CA -0.364 52.479 53.050 -0.345 0.000 0.921 866 N CB 2.201 40.647 38.487 -0.069 0.000 1.195 866 N HN 0.371 nan 8.380 nan 0.000 0.492 867 S N 3.921 119.268 115.700 -0.588 0.000 2.291 867 S HA 0.381 4.852 4.470 0.002 0.000 0.185 867 S C 0.665 175.073 174.600 -0.320 0.000 0.996 867 S CA 0.304 58.071 58.200 -0.721 0.000 0.997 867 S CB 0.001 62.416 63.200 -1.308 0.000 0.899 867 S HN 0.550 nan 8.310 nan 0.000 0.493 868 L N -0.978 120.102 121.223 -0.239 0.000 2.171 868 L HA 0.500 4.841 4.340 0.002 0.000 0.253 868 L C 0.551 177.467 176.870 0.078 0.000 1.054 868 L CA -0.687 54.124 54.840 -0.050 0.000 0.927 868 L CB 0.668 42.714 42.059 -0.022 0.000 1.513 868 L HN 0.404 nan 8.230 nan 0.000 0.471 869 F N 1.160 121.112 119.950 0.002 0.000 2.219 869 F HA -0.036 4.492 4.527 0.002 0.000 0.294 869 F C 2.280 178.206 175.800 0.210 0.000 1.086 869 F CA 1.320 59.373 58.000 0.089 0.000 1.330 869 F CB -0.042 39.049 39.000 0.153 0.000 1.047 869 F HN 0.608 nan 8.300 nan 0.000 0.495 870 E N 0.076 120.325 120.200 0.081 0.000 2.358 870 E HA -0.134 4.217 4.350 0.002 0.000 0.195 870 E C 0.577 177.258 176.600 0.134 0.000 1.010 870 E CA 1.233 57.643 56.400 0.016 0.000 0.856 870 E CB -0.759 28.929 29.700 -0.020 0.000 0.795 870 E HN 0.578 nan 8.360 nan 0.000 0.504 871 D N 0.281 120.750 120.400 0.115 0.000 2.431 871 D HA 0.243 4.884 4.640 0.002 0.000 0.213 871 D C 1.507 177.899 176.300 0.154 0.000 1.130 871 D CA 0.437 54.510 54.000 0.122 0.000 0.834 871 D CB 0.349 41.174 40.800 0.043 0.000 0.985 871 D HN 0.109 nan 8.370 nan 0.000 0.504 872 A N 1.303 124.171 122.820 0.079 0.000 1.903 872 A HA -0.119 4.202 4.320 0.002 0.000 0.219 872 A C 2.411 180.079 177.584 0.139 0.000 1.191 872 A CA 2.637 54.629 52.037 -0.076 0.000 0.638 872 A CB -0.998 17.541 19.000 -0.768 0.000 0.823 872 A HN 0.408 nan 8.150 nan 0.000 0.451 873 A N 0.405 123.459 122.820 0.390 0.000 1.877 873 A HA -0.171 4.150 4.320 0.002 0.000 0.216 873 A C 1.952 179.686 177.584 0.249 0.000 1.186 873 A CA 1.780 54.032 52.037 0.360 0.000 0.620 873 A CB -0.550 18.690 19.000 0.399 0.000 0.822 873 A HN 0.692 nan 8.150 nan 0.000 0.443 874 E N -1.087 119.246 120.200 0.221 0.000 2.204 874 E HA -0.230 4.121 4.350 0.002 0.000 0.194 874 E C 1.867 178.635 176.600 0.280 0.000 0.989 874 E CA 1.429 57.961 56.400 0.220 0.000 0.824 874 E CB -0.725 29.053 29.700 0.129 0.000 0.756 874 E HN 0.700 nan 8.360 nan 0.000 0.477 875 Y N 2.590 122.937 120.300 0.078 0.000 2.145 875 Y HA -0.008 4.543 4.550 0.002 0.000 0.286 875 Y C 2.565 178.469 175.900 0.007 0.000 1.145 875 Y CA 1.708 59.820 58.100 0.020 0.000 1.148 875 Y CB -0.801 37.636 38.460 -0.039 0.000 0.981 875 Y HN 0.068 nan 8.280 nan 0.000 0.507 876 G N -0.743 108.056 108.800 -0.002 0.000 2.408 876 G HA2 -0.317 3.644 3.960 0.002 0.000 0.217 876 G HA3 -0.317 3.644 3.960 0.002 0.000 0.217 876 G C 1.701 176.564 174.900 -0.062 0.000 1.150 876 G CA 0.739 45.765 45.100 -0.123 0.000 0.776 876 G HN 0.471 nan 8.290 nan 0.000 0.542 877 F N 2.519 122.426 119.950 -0.072 0.000 2.126 877 F HA -0.037 4.491 4.527 0.002 0.000 0.299 877 F C 2.555 178.298 175.800 -0.095 0.000 1.096 877 F CA 1.585 59.547 58.000 -0.064 0.000 1.255 877 F CB -0.500 38.498 39.000 -0.004 0.000 0.997 877 F HN 0.117 nan 8.300 nan 0.000 0.479 878 G N -0.022 108.745 108.800 -0.056 0.000 2.422 878 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 878 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 878 G C 1.682 176.423 174.900 -0.264 0.000 1.146 878 G CA 0.926 45.938 45.100 -0.147 0.000 0.769 878 G HN 0.387 nan 8.290 nan 0.000 0.547 879 M N 0.441 119.835 119.600 -0.343 0.000 2.080 879 M HA -0.107 4.374 4.480 0.002 0.000 0.260 879 M C 2.450 178.459 176.300 -0.484 0.000 1.068 879 M CA 1.352 56.366 55.300 -0.477 0.000 1.109 879 M CB -0.531 31.695 32.600 -0.623 0.000 1.342 879 M HN 0.296 nan 8.290 nan 0.000 0.405 880 N N 0.718 119.159 118.700 -0.431 0.000 2.069 880 N HA -0.175 4.566 4.740 0.002 0.000 0.191 880 N C 1.700 177.021 175.510 -0.314 0.000 1.031 880 N CA 1.617 54.444 53.050 -0.373 0.000 0.852 880 N CB -0.047 38.219 38.487 -0.369 0.000 1.018 880 N HN 0.344 nan 8.380 nan 0.000 0.423 881 M N 0.157 119.513 119.600 -0.406 0.000 2.108 881 M HA -0.152 4.329 4.480 0.002 0.000 0.261 881 M C 2.534 178.775 176.300 -0.097 0.000 1.066 881 M CA 1.384 56.524 55.300 -0.266 0.000 1.107 881 M CB -0.318 32.092 32.600 -0.316 0.000 1.356 881 M HN 0.152 nan 8.290 nan 0.000 0.406 882 S N 0.206 115.819 115.700 -0.144 0.000 2.356 882 S HA -0.142 4.329 4.470 0.002 0.000 0.223 882 S C 1.981 176.541 174.600 -0.066 0.000 1.032 882 S CA 1.142 59.288 58.200 -0.090 0.000 1.005 882 S CB -0.010 63.123 63.200 -0.113 0.000 0.867 882 S HN 0.310 nan 8.310 nan 0.000 0.449 883 M N 0.312 119.841 119.600 -0.119 0.000 2.108 883 M HA -0.019 4.462 4.480 0.002 0.000 0.261 883 M C 2.004 178.301 176.300 -0.004 0.000 1.066 883 M CA 1.346 56.608 55.300 -0.064 0.000 1.107 883 M CB -1.601 30.930 32.600 -0.116 0.000 1.356 883 M HN 0.531 nan 8.290 nan 0.000 0.406 884 F N 1.166 121.051 119.950 -0.108 0.000 2.102 884 F HA -0.157 4.371 4.527 0.002 0.000 0.298 884 F C 2.371 178.152 175.800 -0.030 0.000 1.105 884 F CA 1.851 59.807 58.000 -0.073 0.000 1.239 884 F CB -0.439 38.492 39.000 -0.115 0.000 0.991 884 F HN 0.120 nan 8.300 nan 0.000 0.474 885 A N 0.682 123.496 122.820 -0.011 0.000 1.877 885 A HA -0.178 4.143 4.320 0.002 0.000 0.216 885 A C 2.325 179.869 177.584 -0.067 0.000 1.186 885 A CA 1.825 53.827 52.037 -0.059 0.000 0.620 885 A CB -0.728 18.291 19.000 0.032 0.000 0.822 885 A HN 0.475 nan 8.150 nan 0.000 0.443 886 R N -0.761 119.729 120.500 -0.017 0.000 2.092 886 R HA -0.022 4.319 4.340 0.002 0.000 0.231 886 R C 2.334 178.654 176.300 0.033 0.000 1.119 886 R CA 1.348 57.472 56.100 0.040 0.000 0.970 886 R CB -0.253 30.067 30.300 0.033 0.000 0.864 886 R HN 0.469 nan 8.270 nan 0.000 0.440 887 R N -0.313 120.185 120.500 -0.003 0.000 2.193 887 R HA 0.014 4.355 4.340 0.002 0.000 0.213 887 R C 1.849 178.163 176.300 0.023 0.000 1.055 887 R CA 1.186 57.327 56.100 0.067 0.000 0.995 887 R CB -0.072 30.291 30.300 0.105 0.000 0.893 887 R HN 0.139 nan 8.270 nan 0.000 0.459 888 T N -0.294 114.158 114.554 -0.171 0.000 2.904 888 T HA -0.138 4.213 4.350 0.002 0.000 0.267 888 T C 1.550 176.249 174.700 -0.002 0.000 1.059 888 T CA 0.997 62.969 62.100 -0.212 0.000 1.137 888 T CB -0.183 68.380 68.868 -0.509 0.000 0.879 888 T HN 0.461 nan 8.240 nan 0.000 0.467 889 H N 0.270 119.287 119.070 -0.087 0.000 2.357 889 H HA -0.032 4.525 4.556 0.002 0.000 0.301 889 H C 2.318 177.641 175.328 -0.009 0.000 1.082 889 H CA 0.906 56.929 56.048 -0.042 0.000 1.342 889 H CB -0.051 29.687 29.762 -0.040 0.000 1.389 889 H HN 0.180 nan 8.280 nan 0.000 0.511 890 L N 1.180 122.409 121.223 0.009 0.000 2.046 890 L HA -0.053 4.288 4.340 0.002 0.000 0.208 890 L C 2.510 179.415 176.870 0.059 0.000 1.077 890 L CA 1.940 56.740 54.840 -0.066 0.000 0.747 890 L CB -1.038 40.980 42.059 -0.067 0.000 0.896 890 L HN 0.324 nan 8.230 nan 0.000 0.432 891 A N -0.853 122.101 122.820 0.225 0.000 1.969 891 A HA -0.242 4.079 4.320 0.002 0.000 0.218 891 A C 2.036 179.703 177.584 0.139 0.000 1.169 891 A CA 1.683 53.900 52.037 0.300 0.000 0.635 891 A CB -0.912 18.210 19.000 0.203 0.000 0.810 891 A HN 0.611 nan 8.150 nan 0.000 0.445 892 D N -0.024 120.434 120.400 0.097 0.000 2.097 892 D HA -0.107 4.534 4.640 0.002 0.000 0.197 892 D C 1.811 178.149 176.300 0.064 0.000 0.984 892 D CA 1.274 55.319 54.000 0.076 0.000 0.826 892 D CB -0.231 40.625 40.800 0.093 0.000 0.973 892 D HN 0.402 nan 8.370 nan 0.000 0.460 893 L N 0.095 121.350 121.223 0.054 0.000 2.083 893 L HA -0.088 4.253 4.340 0.002 0.000 0.209 893 L C 2.638 179.509 176.870 0.002 0.000 1.083 893 L CA 1.104 55.951 54.840 0.011 0.000 0.752 893 L CB -0.593 41.431 42.059 -0.057 0.000 0.899 893 L HN 0.079 nan 8.230 nan 0.000 0.433 894 A N 0.186 123.015 122.820 0.015 0.000 1.902 894 A HA -0.158 4.163 4.320 0.002 0.000 0.217 894 A C 2.558 180.161 177.584 0.033 0.000 1.181 894 A CA 1.743 53.793 52.037 0.022 0.000 0.623 894 A CB -0.682 18.378 19.000 0.101 0.000 0.818 894 A HN 0.391 nan 8.150 nan 0.000 0.443 895 A N -0.168 122.680 122.820 0.045 0.000 1.933 895 A HA -0.139 4.182 4.320 0.002 0.000 0.218 895 A C 2.109 179.702 177.584 0.015 0.000 1.175 895 A CA 1.661 53.714 52.037 0.028 0.000 0.628 895 A CB -0.384 18.633 19.000 0.027 0.000 0.814 895 A HN 0.508 nan 8.150 nan 0.000 0.444 896 K N -0.249 120.160 120.400 0.016 0.000 2.097 896 K HA -0.059 4.262 4.320 0.002 0.000 0.206 896 K C 2.271 178.872 176.600 0.003 0.000 1.049 896 K CA 1.100 57.393 56.287 0.010 0.000 0.933 896 K CB -0.355 32.153 32.500 0.014 0.000 0.717 896 K HN 0.439 nan 8.250 nan 0.000 0.442 897 A N 1.708 124.527 122.820 -0.002 0.000 1.972 897 A HA -0.105 4.216 4.320 0.002 0.000 0.219 897 A C 2.091 179.671 177.584 -0.007 0.000 1.169 897 A CA 1.053 53.085 52.037 -0.009 0.000 0.635 897 A CB -0.617 18.372 19.000 -0.019 0.000 0.810 897 A HN 0.177 nan 8.150 nan 0.000 0.446 898 L N -0.654 120.566 121.223 -0.005 0.000 2.349 898 L HA -0.142 4.199 4.340 0.002 0.000 0.220 898 L C 1.104 177.971 176.870 -0.006 0.000 1.130 898 L CA 1.007 55.843 54.840 -0.007 0.000 0.791 898 L CB -0.266 41.790 42.059 -0.006 0.000 0.918 898 L HN 0.459 nan 8.230 nan 0.000 0.444 899 E N -0.763 119.435 120.200 -0.004 0.000 2.651 899 E HA 0.108 4.459 4.350 0.002 0.000 0.213 899 E C 0.160 176.758 176.600 -0.003 0.000 1.028 899 E CA -0.213 56.185 56.400 -0.003 0.000 1.183 899 E CB 0.559 30.258 29.700 -0.002 0.000 1.188 899 E HN 0.350 nan 8.360 nan 0.000 0.444 900 S N -0.145 115.553 115.700 -0.004 0.000 2.874 900 S HA 0.222 4.693 4.470 0.002 0.000 0.318 900 S C 0.290 174.887 174.600 -0.005 0.000 1.109 900 S CA -0.791 57.407 58.200 -0.004 0.000 0.878 900 S CB 1.078 64.275 63.200 -0.005 0.000 1.307 900 S HN 0.088 nan 8.310 nan 0.000 0.592 901 D N 0.244 120.641 120.400 -0.005 0.000 2.395 901 D HA 0.344 4.985 4.640 0.002 0.000 0.226 901 D C 0.703 177.000 176.300 -0.005 0.000 1.146 901 D CA -0.272 53.726 54.000 -0.004 0.000 0.830 901 D CB -0.600 40.198 40.800 -0.003 0.000 0.958 901 D HN 0.727 nan 8.370 nan 0.000 0.501 902 A N 0.883 123.699 122.820 -0.006 0.000 2.507 902 A HA 0.373 4.694 4.320 0.002 0.000 0.235 902 A C 0.978 178.559 177.584 -0.005 0.000 1.070 902 A CA -0.039 51.994 52.037 -0.007 0.000 0.768 902 A CB 0.078 19.071 19.000 -0.011 0.000 1.011 902 A HN 0.438 nan 8.150 nan 0.000 0.502 903 S N 1.180 116.878 115.700 -0.004 0.000 2.580 903 S HA 0.302 4.773 4.470 0.002 0.000 0.266 903 S C 1.392 175.992 174.600 -0.001 0.000 1.354 903 S CA -0.112 58.087 58.200 -0.001 0.000 1.008 903 S CB 0.666 63.866 63.200 0.000 0.000 0.898 903 S HN 1.458 nan 8.310 nan 0.000 0.555 904 G N 0.452 109.253 108.800 0.002 0.000 2.432 904 G HA2 -0.156 3.805 3.960 0.002 0.000 0.219 904 G HA3 -0.156 3.805 3.960 0.002 0.000 0.219 904 G C 0.917 175.821 174.900 0.008 0.000 1.135 904 G CA 0.708 45.809 45.100 0.003 0.000 0.767 904 G HN 0.747 nan 8.290 nan 0.000 0.550 905 D N 0.104 120.510 120.400 0.011 0.000 2.117 905 D HA -0.063 4.578 4.640 0.002 0.000 0.198 905 D C 2.766 179.078 176.300 0.019 0.000 0.982 905 D CA 0.468 54.480 54.000 0.020 0.000 0.828 905 D CB -0.360 40.451 40.800 0.018 0.000 0.967 905 D HN 0.161 nan 8.370 nan 0.000 0.464 906 V N 1.175 121.092 119.914 0.006 0.000 2.343 906 V HA -0.233 3.888 4.120 0.002 0.000 0.247 906 V C 2.280 178.368 176.094 -0.009 0.000 1.051 906 V CA 1.589 63.886 62.300 -0.004 0.000 1.036 906 V CB -0.270 31.546 31.823 -0.012 0.000 0.654 906 V HN 0.212 nan 8.190 nan 0.000 0.451 907 K N -0.482 119.913 120.400 -0.008 0.000 2.097 907 K HA -0.189 4.132 4.320 0.002 0.000 0.205 907 K C 2.193 178.780 176.600 -0.022 0.000 1.050 907 K CA 1.335 57.613 56.287 -0.015 0.000 0.938 907 K CB -0.171 32.321 32.500 -0.013 0.000 0.718 907 K HN 0.498 nan 8.250 nan 0.000 0.442 908 E N 0.831 121.026 120.200 -0.008 0.000 2.077 908 E HA -0.192 4.159 4.350 0.002 0.000 0.193 908 E C 2.005 178.587 176.600 -0.031 0.000 0.989 908 E CA 1.067 57.460 56.400 -0.011 0.000 0.800 908 E CB -0.004 29.716 29.700 0.032 0.000 0.746 908 E HN 0.305 nan 8.360 nan 0.000 0.452 909 A N 0.938 123.782 122.820 0.040 0.000 1.902 909 A HA -0.152 4.169 4.320 0.002 0.000 0.217 909 A C 2.192 179.781 177.584 0.009 0.000 1.181 909 A CA 1.012 53.117 52.037 0.114 0.000 0.623 909 A CB -0.603 18.459 19.000 0.103 0.000 0.818 909 A HN 0.238 nan 8.150 nan 0.000 0.443 910 L N -0.803 120.409 121.223 -0.019 0.000 2.056 910 L HA -0.242 4.099 4.340 0.002 0.000 0.207 910 L C 2.918 179.787 176.870 -0.002 0.000 1.078 910 L CA 1.484 56.327 54.840 0.005 0.000 0.749 910 L CB -0.599 41.453 42.059 -0.013 0.000 0.901 910 L HN 0.502 nan 8.230 nan 0.000 0.433 911 Q N -0.298 119.450 119.800 -0.086 0.000 2.079 911 Q HA -0.137 4.204 4.340 0.002 0.000 0.200 911 Q C 2.331 178.170 176.000 -0.269 0.000 0.974 911 Q CA 1.436 57.161 55.803 -0.130 0.000 0.840 911 Q CB -0.444 28.221 28.738 -0.123 0.000 0.898 911 Q HN 0.603 nan 8.270 nan 0.000 0.430 912 G N 0.511 108.988 108.800 -0.539 0.000 2.459 912 G HA2 -0.290 3.671 3.960 0.002 0.000 0.217 912 G HA3 -0.290 3.671 3.960 0.002 0.000 0.217 912 G C 0.992 175.502 174.900 -0.650 0.000 1.183 912 G CA 0.745 45.124 45.100 -1.202 0.000 0.776 912 G HN 0.464 nan 8.290 nan 0.000 0.552 913 W N 1.172 122.228 121.300 -0.407 0.000 2.335 913 W HA -0.001 4.660 4.660 0.002 0.000 0.311 913 W C 2.391 178.844 176.519 -0.110 0.000 1.213 913 W CA 1.307 58.584 57.345 -0.114 0.000 1.274 913 W CB -0.421 28.967 29.460 -0.120 0.000 1.148 913 W HN 0.120 nan 8.180 nan 0.000 0.498 914 L N 0.360 121.523 121.223 -0.101 0.000 2.127 914 L HA -0.223 4.118 4.340 0.002 0.000 0.211 914 L C 2.553 179.228 176.870 -0.325 0.000 1.089 914 L CA 1.468 56.162 54.840 -0.243 0.000 0.757 914 L CB -1.057 40.976 42.059 -0.044 0.000 0.899 914 L HN 0.149 nan 8.230 nan 0.000 0.434 915 A N -0.821 121.837 122.820 -0.271 0.000 2.021 915 A HA 0.084 4.405 4.320 0.002 0.000 0.216 915 A C 1.835 179.290 177.584 -0.214 0.000 1.163 915 A CA 1.204 53.112 52.037 -0.215 0.000 0.676 915 A CB -0.319 18.573 19.000 -0.180 0.000 0.818 915 A HN 0.405 nan 8.150 nan 0.000 0.453 916 G N 0.014 108.659 108.800 -0.259 0.000 4.144 916 G HA2 0.255 4.217 3.960 0.002 0.000 0.297 916 G HA3 0.255 4.217 3.960 0.002 0.000 0.297 916 G C 0.908 175.609 174.900 -0.332 0.000 1.090 916 G CA 0.438 45.427 45.100 -0.185 0.000 0.870 916 G HN 0.594 nan 8.290 nan 0.000 0.532 917 K N -0.424 119.590 120.400 -0.643 0.000 2.280 917 K HA -0.002 4.319 4.320 0.002 0.000 0.202 917 K C 0.762 177.154 176.600 -0.347 0.000 1.047 917 K CA 0.859 56.607 56.287 -0.898 0.000 0.942 917 K CB 0.067 31.709 32.500 -1.431 0.000 0.739 917 K HN 0.057 nan 8.250 nan 0.000 0.457 918 N N 1.312 119.880 118.700 -0.221 0.000 2.273 918 N HA 0.026 4.767 4.740 0.002 0.000 0.231 918 N C -1.227 174.256 175.510 -0.045 0.000 1.134 918 N CA 0.083 53.077 53.050 -0.094 0.000 0.856 918 N CB 0.549 38.987 38.487 -0.082 0.000 1.068 918 N HN 0.330 nan 8.380 nan 0.000 0.510 919 D N 0.618 120.994 120.400 -0.040 0.000 2.381 919 D HA 0.223 4.864 4.640 0.002 0.000 0.235 919 D C -1.917 174.414 176.300 0.052 0.000 1.068 919 D CA -1.941 52.065 54.000 0.009 0.000 0.832 919 D CB 2.575 43.379 40.800 0.006 0.000 1.101 919 D HN -0.145 nan 8.370 nan 0.000 0.515 920 P HA -0.181 nan 4.420 nan 0.000 0.217 920 P C 1.594 178.956 177.300 0.105 0.000 1.151 920 P CA 0.894 64.061 63.100 0.112 0.000 0.849 920 P CB 0.379 32.161 31.700 0.136 0.000 0.787 921 I N -0.982 119.638 120.570 0.084 0.000 2.130 921 I HA -0.136 4.035 4.170 0.002 0.000 0.234 921 I C 2.032 178.189 176.117 0.067 0.000 1.067 921 I CA 1.583 62.924 61.300 0.068 0.000 1.339 921 I CB -1.586 36.446 38.000 0.054 0.000 1.073 921 I HN -0.066 nan 8.210 nan 0.000 0.405 922 K N 1.375 121.822 120.400 0.079 0.000 2.147 922 K HA -0.100 4.221 4.320 0.002 0.000 0.205 922 K C 2.243 178.962 176.600 0.199 0.000 1.049 922 K CA 1.563 57.929 56.287 0.132 0.000 0.936 922 K CB -0.633 31.971 32.500 0.174 0.000 0.722 922 K HN 0.508 nan 8.250 nan 0.000 0.446 923 S N 0.960 116.749 115.700 0.149 0.000 2.368 923 S HA -0.149 4.322 4.470 0.002 0.000 0.224 923 S C 2.124 176.926 174.600 0.337 0.000 1.029 923 S CA 1.219 59.563 58.200 0.239 0.000 0.988 923 S CB -0.126 63.186 63.200 0.186 0.000 0.838 923 S HN 0.281 nan 8.310 nan 0.000 0.462 924 K N 1.350 121.877 120.400 0.212 0.000 2.025 924 K HA -0.143 4.178 4.320 0.002 0.000 0.207 924 K C 2.435 179.101 176.600 0.110 0.000 1.049 924 K CA 1.519 57.910 56.287 0.173 0.000 0.933 924 K CB -0.341 32.230 32.500 0.118 0.000 0.714 924 K HN 0.641 nan 8.250 nan 0.000 0.438 925 E N -0.413 119.805 120.200 0.030 0.000 2.038 925 E HA -0.241 4.110 4.350 0.002 0.000 0.195 925 E C 1.802 178.289 176.600 -0.188 0.000 1.000 925 E CA 1.675 57.999 56.400 -0.127 0.000 0.803 925 E CB -0.236 29.302 29.700 -0.269 0.000 0.750 925 E HN 0.449 nan 8.360 nan 0.000 0.448 926 Y N -0.239 120.123 120.300 0.103 0.000 2.314 926 Y HA 0.033 4.584 4.550 0.002 0.000 0.293 926 Y C 2.394 178.308 175.900 0.024 0.000 1.129 926 Y CA 0.777 58.929 58.100 0.087 0.000 1.201 926 Y CB -0.237 38.306 38.460 0.138 0.000 0.999 926 Y HN 0.218 nan 8.280 nan 0.000 0.541 927 G N -0.173 108.746 108.800 0.199 0.000 2.402 927 G HA2 -0.223 3.738 3.960 0.002 0.000 0.216 927 G HA3 -0.223 3.738 3.960 0.002 0.000 0.216 927 G C 1.180 176.134 174.900 0.090 0.000 1.162 927 G CA 1.231 46.314 45.100 -0.028 0.000 0.777 927 G HN 0.259 nan 8.290 nan 0.000 0.539 928 D N 0.619 121.085 120.400 0.109 0.000 2.178 928 D HA -0.034 4.607 4.640 0.002 0.000 0.202 928 D C 2.415 178.744 176.300 0.047 0.000 0.974 928 D CA 0.744 54.796 54.000 0.087 0.000 0.841 928 D CB -0.093 40.736 40.800 0.049 0.000 0.953 928 D HN 0.301 nan 8.370 nan 0.000 0.478 929 K N 0.101 120.511 120.400 0.017 0.000 2.148 929 K HA 0.007 4.328 4.320 0.002 0.000 0.204 929 K C 2.195 178.802 176.600 0.010 0.000 1.050 929 K CA 0.383 56.679 56.287 0.015 0.000 0.942 929 K CB -0.002 32.516 32.500 0.030 0.000 0.724 929 K HN 0.136 nan 8.250 nan 0.000 0.446 930 L N 0.891 122.091 121.223 -0.037 0.000 2.141 930 L HA -0.163 4.178 4.340 0.002 0.000 0.209 930 L C 2.117 179.018 176.870 0.052 0.000 1.094 930 L CA 1.162 55.954 54.840 -0.081 0.000 0.763 930 L CB -0.153 41.669 42.059 -0.394 0.000 0.908 930 L HN 0.111 nan 8.230 nan 0.000 0.437 931 K N 0.009 120.489 120.400 0.133 0.000 2.097 931 K HA -0.177 4.144 4.320 0.002 0.000 0.206 931 K C 2.098 178.735 176.600 0.062 0.000 1.049 931 K CA 1.311 57.680 56.287 0.137 0.000 0.933 931 K CB 0.039 32.614 32.500 0.125 0.000 0.717 931 K HN 0.251 nan 8.250 nan 0.000 0.442 932 K N 0.550 120.976 120.400 0.043 0.000 2.044 932 K HA -0.008 4.313 4.320 0.002 0.000 0.204 932 K C 2.060 178.671 176.600 0.018 0.000 1.049 932 K CA 0.836 57.138 56.287 0.025 0.000 0.945 932 K CB -0.025 32.486 32.500 0.018 0.000 0.724 932 K HN 0.028 nan 8.250 nan 0.000 0.440 933 L N 0.941 122.174 121.223 0.016 0.000 2.131 933 L HA -0.133 4.208 4.340 0.002 0.000 0.210 933 L C 1.850 178.724 176.870 0.007 0.000 1.092 933 L CA 0.994 55.840 54.840 0.009 0.000 0.759 933 L CB -0.168 41.894 42.059 0.005 0.000 0.903 933 L HN 0.169 nan 8.230 nan 0.000 0.435 934 L N -0.600 120.631 121.223 0.013 0.000 2.640 934 L HA 0.284 4.625 4.340 0.002 0.000 0.230 934 L C 1.077 177.954 176.870 0.012 0.000 1.123 934 L CA -0.587 54.260 54.840 0.011 0.000 0.900 934 L CB -0.246 41.824 42.059 0.018 0.000 1.146 934 L HN 0.053 nan 8.230 nan 0.000 0.484 935 A N 0.595 123.423 122.820 0.013 0.000 2.566 935 A HA 0.357 4.678 4.320 0.002 0.000 0.245 935 A C 1.426 179.011 177.584 0.001 0.000 1.056 935 A CA 1.077 53.119 52.037 0.007 0.000 0.757 935 A CB -0.234 18.770 19.000 0.007 0.000 0.979 935 A HN 0.630 nan 8.150 nan 0.000 0.508 936 G N 1.019 109.817 108.800 -0.003 0.000 2.317 936 G HA2 -0.216 3.745 3.960 0.002 0.000 0.227 936 G HA3 -0.216 3.745 3.960 0.002 0.000 0.227 936 G C 0.324 175.220 174.900 -0.007 0.000 1.042 936 G CA 0.164 45.261 45.100 -0.005 0.000 0.623 936 G HN 0.902 nan 8.290 nan 0.000 0.509 937 Q N 0.652 120.449 119.800 -0.006 0.000 2.269 937 Q HA 0.257 4.598 4.340 0.002 0.000 0.300 937 Q C 0.898 176.891 176.000 -0.012 0.000 1.070 937 Q CA 0.672 56.470 55.803 -0.008 0.000 0.957 937 Q CB 1.013 29.746 28.738 -0.008 0.000 1.131 937 Q HN 0.488 nan 8.270 nan 0.000 0.377 938 K N 1.326 121.719 120.400 -0.011 0.000 2.511 938 K HA 0.159 4.480 4.320 0.002 0.000 0.209 938 K C -0.440 176.153 176.600 -0.012 0.000 1.301 938 K CA 0.190 56.469 56.287 -0.013 0.000 0.967 938 K CB 0.809 33.303 32.500 -0.011 0.000 1.109 938 K HN 0.483 nan 8.250 nan 0.000 0.561 939 D N 0.301 120.695 120.400 -0.010 0.000 2.217 939 D HA 0.477 5.118 4.640 0.002 0.000 0.248 939 D C 0.683 176.978 176.300 -0.010 0.000 1.008 939 D CA 0.570 54.565 54.000 -0.009 0.000 0.914 939 D CB 1.141 41.937 40.800 -0.007 0.000 1.182 939 D HN 0.197 nan 8.370 nan 0.000 0.451 940 G N 0.265 109.060 108.800 -0.008 0.000 2.606 940 G HA2 -0.327 3.634 3.960 0.002 0.000 0.285 940 G HA3 -0.327 3.634 3.960 0.002 0.000 0.285 940 G C 0.895 175.788 174.900 -0.012 0.000 1.311 940 G CA 0.041 45.137 45.100 -0.007 0.000 0.922 940 G HN 0.488 nan 8.290 nan 0.000 0.559 941 L N -0.167 121.049 121.223 -0.011 0.000 2.010 941 L HA -0.132 4.209 4.340 0.002 0.000 0.219 941 L C 3.057 179.910 176.870 -0.027 0.000 1.077 941 L CA 2.695 57.525 54.840 -0.017 0.000 0.773 941 L CB -0.822 41.230 42.059 -0.013 0.000 0.892 941 L HN 0.565 nan 8.230 nan 0.000 0.436 942 L N -1.651 119.559 121.223 -0.023 0.000 2.083 942 L HA -0.163 4.178 4.340 0.002 0.000 0.209 942 L C 2.469 179.324 176.870 -0.024 0.000 1.083 942 L CA 1.280 56.106 54.840 -0.024 0.000 0.752 942 L CB -1.372 40.676 42.059 -0.018 0.000 0.899 942 L HN 0.471 nan 8.230 nan 0.000 0.433 943 G N -0.839 107.948 108.800 -0.022 0.000 2.418 943 G HA2 -0.244 3.717 3.960 0.002 0.000 0.217 943 G HA3 -0.244 3.717 3.960 0.002 0.000 0.217 943 G C 1.503 176.382 174.900 -0.035 0.000 1.158 943 G CA 0.245 45.331 45.100 -0.023 0.000 0.771 943 G HN 0.370 nan 8.290 nan 0.000 0.545 944 Q N -0.300 119.475 119.800 -0.042 0.000 2.124 944 Q HA -0.007 4.334 4.340 0.002 0.000 0.202 944 Q C 2.619 178.565 176.000 -0.090 0.000 0.977 944 Q CA 0.923 56.686 55.803 -0.066 0.000 0.850 944 Q CB -0.168 28.527 28.738 -0.071 0.000 0.901 944 Q HN 0.540 nan 8.270 nan 0.000 0.429 945 I N 0.274 120.802 120.570 -0.070 0.000 2.353 945 I HA -0.214 3.957 4.170 0.002 0.000 0.248 945 I C 2.378 178.499 176.117 0.006 0.000 1.119 945 I CA 0.766 62.032 61.300 -0.056 0.000 1.417 945 I CB -0.389 37.573 38.000 -0.063 0.000 1.078 945 I HN 0.126 nan 8.210 nan 0.000 0.421 946 A N 0.875 123.694 122.820 -0.001 0.000 1.933 946 A HA -0.101 4.220 4.320 0.002 0.000 0.218 946 A C 2.402 179.945 177.584 -0.068 0.000 1.175 946 A CA 1.700 53.741 52.037 0.007 0.000 0.628 946 A CB -0.626 18.372 19.000 -0.004 0.000 0.814 946 A HN 0.427 nan 8.150 nan 0.000 0.444 947 A N -1.255 121.516 122.820 -0.083 0.000 2.235 947 A HA 0.269 4.590 4.320 0.002 0.000 0.208 947 A C 1.624 179.112 177.584 -0.160 0.000 1.172 947 A CA 0.859 52.832 52.037 -0.106 0.000 0.786 947 A CB -0.469 18.485 19.000 -0.077 0.000 0.804 947 A HN 0.504 nan 8.150 nan 0.000 0.479 948 M N -0.072 119.401 119.600 -0.212 0.000 2.576 948 M HA 0.037 4.518 4.480 0.002 0.000 0.322 948 M C 1.615 177.559 176.300 -0.593 0.000 1.184 948 M CA 0.436 55.570 55.300 -0.277 0.000 0.967 948 M CB 0.320 32.800 32.600 -0.201 0.000 1.372 948 M HN 0.481 nan 8.290 nan 0.000 0.509 949 S N 0.371 115.564 115.700 -0.845 0.000 2.419 949 S HA -0.177 4.294 4.470 0.002 0.000 0.235 949 S C 1.277 175.370 174.600 -0.845 0.000 1.019 949 S CA 1.667 58.916 58.200 -1.585 0.000 0.982 949 S CB -0.596 62.069 63.200 -0.891 0.000 0.789 949 S HN 0.623 nan 8.310 nan 0.000 0.490 950 D N 1.195 121.344 120.400 -0.417 0.000 2.371 950 D HA 0.012 4.653 4.640 0.002 0.000 0.234 950 D C 1.173 177.407 176.300 -0.110 0.000 1.049 950 D CA 0.272 54.151 54.000 -0.202 0.000 0.907 950 D CB -0.456 40.272 40.800 -0.121 0.000 0.891 950 D HN 0.521 nan 8.370 nan 0.000 0.531 951 L N -1.531 119.592 121.223 -0.167 0.000 2.817 951 L HA 0.199 4.540 4.340 0.002 0.000 0.248 951 L C 1.665 178.653 176.870 0.196 0.000 1.133 951 L CA -0.371 54.482 54.840 0.022 0.000 0.935 951 L CB -0.100 41.962 42.059 0.005 0.000 1.266 951 L HN -0.029 nan 8.230 nan 0.000 0.535 952 Y N 0.900 121.207 120.300 0.013 0.000 2.070 952 Y HA -0.166 4.385 4.550 0.002 0.000 0.280 952 Y C 1.311 177.455 175.900 0.407 0.000 1.148 952 Y CA 0.442 58.584 58.100 0.069 0.000 1.125 952 Y CB -0.336 38.077 38.460 -0.078 0.000 0.975 952 Y HN 0.021 nan 8.280 nan 0.000 0.492 953 T N 2.302 117.104 114.554 0.413 0.000 2.870 953 T HA 0.050 4.401 4.350 0.002 0.000 0.300 953 T C -0.059 174.802 174.700 0.269 0.000 0.989 953 T CA -0.572 61.717 62.100 0.315 0.000 1.139 953 T CB 0.792 69.785 68.868 0.209 0.000 0.920 953 T HN -0.001 nan 8.240 nan 0.000 0.537 954 K N 4.095 124.633 120.400 0.229 0.000 2.472 954 K HA 0.036 4.358 4.320 0.002 0.000 0.280 954 K C 0.071 176.777 176.600 0.177 0.000 1.028 954 K CA 0.336 56.727 56.287 0.173 0.000 1.045 954 K CB 0.330 32.896 32.500 0.110 0.000 0.902 954 K HN 0.226 nan 8.250 nan 0.000 0.478 955 K N 2.157 122.674 120.400 0.194 0.000 2.090 955 K HA 0.276 4.597 4.320 0.002 0.000 0.249 955 K C -0.467 176.253 176.600 0.200 0.000 0.995 955 K CA -0.628 55.806 56.287 0.245 0.000 0.914 955 K CB 1.595 34.356 32.500 0.435 0.000 1.057 955 K HN 0.536 nan 8.250 nan 0.000 0.462 956 S N 0.736 116.587 115.700 0.252 0.000 2.566 956 S HA 0.323 4.794 4.470 0.002 0.000 0.324 956 S C -0.906 173.872 174.600 0.297 0.000 1.081 956 S CA -0.709 57.613 58.200 0.204 0.000 1.105 956 S CB 0.347 63.721 63.200 0.290 0.000 0.981 956 S HN 0.240 nan 8.310 nan 0.000 0.464 957 V N 6.296 126.247 119.914 0.061 0.000 2.385 957 V HA 0.425 4.546 4.120 0.002 0.000 0.269 957 V C -0.666 175.350 176.094 -0.131 0.000 1.043 957 V CA -0.417 61.903 62.300 0.033 0.000 0.906 957 V CB 0.133 31.878 31.823 -0.130 0.000 0.995 957 V HN 0.833 nan 8.190 nan 0.000 0.467 958 W N 4.822 126.095 121.300 -0.044 0.000 2.627 958 W HA 0.744 5.405 4.660 0.002 0.000 0.339 958 W C -0.343 176.111 176.519 -0.108 0.000 1.058 958 W CA -0.651 56.670 57.345 -0.040 0.000 1.223 958 W CB 1.468 30.876 29.460 -0.088 0.000 1.389 958 W HN 0.319 nan 8.180 nan 0.000 0.541 959 I N 3.318 124.047 120.570 0.265 0.000 2.410 959 I HA 0.324 4.495 4.170 0.002 0.000 0.286 959 I C -0.724 175.650 176.117 0.430 0.000 1.009 959 I CA -0.594 60.805 61.300 0.166 0.000 1.111 959 I CB 0.721 38.823 38.000 0.170 0.000 1.262 959 I HN 0.205 nan 8.210 nan 0.000 0.443 960 F N 3.831 123.808 119.950 0.045 0.000 2.422 960 F HA 0.794 5.323 4.527 0.002 0.000 0.333 960 F C 0.833 176.526 175.800 -0.178 0.000 1.095 960 F CA -0.778 57.289 58.000 0.111 0.000 1.038 960 F CB 2.273 41.391 39.000 0.196 0.000 1.156 960 F HN 0.506 nan 8.300 nan 0.000 0.483 961 G N 0.995 109.900 108.800 0.175 0.000 2.489 961 G HA2 0.450 4.411 3.960 0.002 0.000 0.291 961 G HA3 0.450 4.411 3.960 0.002 0.000 0.291 961 G C -1.298 173.837 174.900 0.391 0.000 1.487 961 G CA -0.534 44.647 45.100 0.135 0.000 0.795 961 G HN 0.899 nan 8.290 nan 0.000 0.513 962 G N -1.059 107.992 108.800 0.419 0.000 2.543 962 G HA2 0.483 4.444 3.960 0.002 0.000 0.290 962 G HA3 0.483 4.444 3.960 0.002 0.000 0.290 962 G C 0.839 175.938 174.900 0.333 0.000 1.310 962 G CA 0.564 45.842 45.100 0.296 0.000 1.025 962 G HN 0.695 nan 8.290 nan 0.000 0.502 963 D N -0.800 119.683 120.400 0.139 0.000 2.178 963 D HA -0.082 4.559 4.640 0.002 0.000 0.202 963 D C 2.186 178.485 176.300 -0.001 0.000 0.974 963 D CA 1.184 55.233 54.000 0.082 0.000 0.841 963 D CB -0.728 39.910 40.800 -0.271 0.000 0.953 963 D HN 0.471 nan 8.370 nan 0.000 0.478 964 G N 0.415 109.114 108.800 -0.169 0.000 2.440 964 G HA2 -0.285 3.676 3.960 0.002 0.000 0.218 964 G HA3 -0.285 3.676 3.960 0.002 0.000 0.218 964 G C 1.393 176.339 174.900 0.076 0.000 1.154 964 G CA 0.828 45.673 45.100 -0.425 0.000 0.767 964 G HN 0.420 nan 8.290 nan 0.000 0.552 965 W N 1.800 123.181 121.300 0.135 0.000 2.380 965 W HA 0.154 4.815 4.660 0.001 0.000 0.317 965 W C 2.655 179.201 176.519 0.045 0.000 1.196 965 W CA 2.262 59.604 57.345 -0.006 0.000 1.307 965 W CB -0.541 29.008 29.460 0.148 0.000 1.157 965 W HN 0.227 nan 8.180 nan 0.000 0.483 966 A N -0.802 121.731 122.820 -0.479 0.000 1.933 966 A HA -0.178 4.143 4.320 0.002 0.000 0.218 966 A C 1.790 179.162 177.584 -0.353 0.000 1.175 966 A CA 1.780 53.358 52.037 -0.766 0.000 0.628 966 A CB -1.280 17.531 19.000 -0.314 0.000 0.814 966 A HN 0.531 nan 8.150 nan 0.000 0.444 967 Y N -0.536 119.584 120.300 -0.301 0.000 2.510 967 Y HA 0.103 4.654 4.550 0.002 0.000 0.273 967 Y C 1.502 177.255 175.900 -0.244 0.000 1.119 967 Y CA 0.407 58.316 58.100 -0.318 0.000 1.286 967 Y CB 0.146 38.470 38.460 -0.226 0.000 1.061 967 Y HN 0.298 nan 8.280 nan 0.000 0.542 968 D N -0.995 119.422 120.400 0.027 0.000 3.066 968 D HA 0.046 4.687 4.640 0.002 0.000 0.225 968 D C 2.003 178.320 176.300 0.027 0.000 1.397 968 D CA -0.107 53.946 54.000 0.089 0.000 1.344 968 D CB -0.704 40.258 40.800 0.270 0.000 0.934 968 D HN 0.029 nan 8.370 nan 0.000 0.202 969 I N 1.020 121.588 120.570 -0.004 0.000 2.194 969 I HA -0.164 4.007 4.170 0.002 0.000 0.246 969 I C 1.704 177.711 176.117 -0.184 0.000 1.093 969 I CA 1.909 63.122 61.300 -0.146 0.000 1.355 969 I CB -0.020 37.816 38.000 -0.275 0.000 1.046 969 I HN 0.177 nan 8.210 nan 0.000 0.413 970 G N -1.570 107.051 108.800 -0.299 0.000 3.042 970 G HA2 -0.203 3.758 3.960 0.002 0.000 0.212 970 G HA3 -0.203 3.758 3.960 0.002 0.000 0.212 970 G C 1.198 175.881 174.900 -0.361 0.000 1.166 970 G CA -0.095 44.829 45.100 -0.293 0.000 0.767 970 G HN 0.412 nan 8.290 nan 0.000 0.546 971 Y N 2.262 122.309 120.300 -0.421 0.000 2.114 971 Y HA -0.181 4.370 4.550 0.002 0.000 0.282 971 Y C 2.545 178.320 175.900 -0.209 0.000 1.165 971 Y CA 1.641 59.537 58.100 -0.340 0.000 1.148 971 Y CB -0.630 37.688 38.460 -0.237 0.000 0.972 971 Y HN 0.122 nan 8.280 nan 0.000 0.504 972 G N -0.991 107.595 108.800 -0.356 0.000 2.442 972 G HA2 -0.227 3.734 3.960 0.002 0.000 0.219 972 G HA3 -0.227 3.734 3.960 0.002 0.000 0.219 972 G C 1.893 176.643 174.900 -0.250 0.000 1.141 972 G CA 0.825 45.709 45.100 -0.361 0.000 0.763 972 G HN 0.636 nan 8.290 nan 0.000 0.554 973 G N 0.456 109.158 108.800 -0.162 0.000 2.408 973 G HA2 0.004 3.965 3.960 0.002 0.000 0.215 973 G HA3 0.004 3.965 3.960 0.002 0.000 0.215 973 G C 1.689 176.553 174.900 -0.059 0.000 1.156 973 G CA 0.853 45.908 45.100 -0.075 0.000 0.793 973 G HN 0.387 nan 8.290 nan 0.000 0.535 974 L N 1.323 122.479 121.223 -0.111 0.000 2.017 974 L HA -0.007 4.334 4.340 0.002 0.000 0.208 974 L C 2.167 178.948 176.870 -0.148 0.000 1.073 974 L CA 2.683 57.468 54.840 -0.091 0.000 0.745 974 L CB -0.806 41.097 42.059 -0.260 0.000 0.894 974 L HN 0.285 nan 8.230 nan 0.000 0.432 975 D N -1.744 118.484 120.400 -0.286 0.000 2.097 975 D HA -0.293 4.348 4.640 0.002 0.000 0.195 975 D C 2.268 178.452 176.300 -0.193 0.000 0.989 975 D CA 1.581 55.417 54.000 -0.273 0.000 0.827 975 D CB -0.258 40.236 40.800 -0.510 0.000 0.966 975 D HN 0.567 nan 8.370 nan 0.000 0.456 976 H N -0.312 118.606 119.070 -0.254 0.000 2.353 976 H HA -0.076 4.481 4.556 0.002 0.000 0.300 976 H C 2.097 177.238 175.328 -0.312 0.000 1.090 976 H CA 1.480 57.380 56.048 -0.247 0.000 1.327 976 H CB -0.028 29.589 29.762 -0.243 0.000 1.383 976 H HN 0.111 nan 8.280 nan 0.000 0.508 977 V N 1.286 121.061 119.914 -0.232 0.000 2.427 977 V HA -0.240 3.881 4.120 0.002 0.000 0.248 977 V C 2.905 178.868 176.094 -0.218 0.000 1.051 977 V CA 1.243 63.348 62.300 -0.325 0.000 1.048 977 V CB -0.482 31.255 31.823 -0.144 0.000 0.666 977 V HN 0.332 nan 8.190 nan 0.000 0.456 978 L N 0.039 121.145 121.223 -0.195 0.000 2.093 978 L HA -0.109 4.232 4.340 0.002 0.000 0.208 978 L C 2.649 179.327 176.870 -0.320 0.000 1.085 978 L CA 1.491 56.214 54.840 -0.196 0.000 0.755 978 L CB -0.736 41.200 42.059 -0.205 0.000 0.904 978 L HN 0.361 nan 8.230 nan 0.000 0.435 979 A N -0.008 122.500 122.820 -0.520 0.000 2.067 979 A HA -0.165 4.156 4.320 0.002 0.000 0.219 979 A C 2.467 179.940 177.584 -0.185 0.000 1.158 979 A CA 1.507 53.227 52.037 -0.529 0.000 0.661 979 A CB -0.505 18.194 19.000 -0.503 0.000 0.801 979 A HN 0.530 nan 8.150 nan 0.000 0.452 980 S N -1.424 114.117 115.700 -0.265 0.000 2.447 980 S HA 0.219 4.691 4.470 0.002 0.000 0.233 980 S C 1.693 176.239 174.600 -0.091 0.000 1.006 980 S CA 1.369 59.450 58.200 -0.198 0.000 0.957 980 S CB -0.676 62.412 63.200 -0.187 0.000 0.773 980 S HN 1.915 nan 8.310 nan 0.000 0.507 981 G N 0.758 109.552 108.800 -0.011 0.000 2.184 981 G HA2 -0.233 3.728 3.960 0.002 0.000 0.264 981 G HA3 -0.233 3.728 3.960 0.002 0.000 0.264 981 G C -0.066 174.833 174.900 -0.001 0.000 0.975 981 G CA 0.349 45.444 45.100 -0.008 0.000 0.642 981 G HN 0.587 nan 8.290 nan 0.000 0.536 982 E N 0.562 120.785 120.200 0.038 0.000 2.391 982 E HA 0.271 4.622 4.350 0.002 0.000 0.255 982 E C -0.261 176.340 176.600 0.001 0.000 1.187 982 E CA -0.399 56.010 56.400 0.014 0.000 0.941 982 E CB 0.540 30.303 29.700 0.106 0.000 1.010 982 E HN 0.189 nan 8.360 nan 0.000 0.458 983 D N 1.476 121.844 120.400 -0.055 0.000 2.517 983 D HA 0.178 4.819 4.640 0.002 0.000 0.220 983 D C -0.922 175.322 176.300 -0.094 0.000 1.158 983 D CA -0.321 53.633 54.000 -0.077 0.000 0.992 983 D CB -0.407 40.334 40.800 -0.099 0.000 1.058 983 D HN 0.223 nan 8.370 nan 0.000 0.516 984 V N 0.610 120.481 119.914 -0.073 0.000 3.040 984 V HA 0.667 4.788 4.120 0.002 0.000 0.312 984 V C -0.626 175.349 176.094 -0.198 0.000 1.115 984 V CA -1.091 61.132 62.300 -0.127 0.000 0.998 984 V CB 2.342 34.157 31.823 -0.014 0.000 1.042 984 V HN 0.253 nan 8.190 nan 0.000 0.433 985 N N 1.463 119.921 118.700 -0.404 0.000 2.407 985 N HA 0.569 5.310 4.740 0.002 0.000 0.277 985 N C -1.189 174.224 175.510 -0.160 0.000 0.995 985 N CA -0.284 52.429 53.050 -0.562 0.000 0.903 985 N CB 2.293 39.749 38.487 -1.719 0.000 1.218 985 N HN 0.621 nan 8.380 nan 0.000 0.487 986 V N 3.011 122.992 119.914 0.112 0.000 2.370 986 V HA 0.375 4.496 4.120 0.002 0.000 0.279 986 V C -0.567 175.859 176.094 0.555 0.000 1.029 986 V CA -0.657 61.864 62.300 0.370 0.000 0.870 986 V CB 0.732 32.757 31.823 0.337 0.000 0.984 986 V HN 0.484 nan 8.190 nan 0.000 0.451 987 F N 5.984 126.278 119.950 0.573 0.000 2.427 987 F HA 0.673 5.201 4.527 0.001 0.000 0.348 987 F C -0.369 175.662 175.800 0.384 0.000 1.125 987 F CA -0.826 57.476 58.000 0.504 0.000 0.989 987 F CB 1.559 40.903 39.000 0.575 0.000 1.165 987 F HN 0.249 nan 8.300 nan 0.000 0.442 988 V N 7.775 127.512 119.914 -0.295 0.000 2.370 988 V HA 0.318 4.439 4.120 0.002 0.000 0.283 988 V C 0.027 175.833 176.094 -0.479 0.000 1.023 988 V CA -0.579 61.626 62.300 -0.159 0.000 0.857 988 V CB 1.376 33.259 31.823 0.100 0.000 0.985 988 V HN 0.718 nan 8.190 nan 0.000 0.443 989 M N 4.334 123.750 119.600 -0.307 0.000 2.111 989 M HA 0.307 4.788 4.480 0.002 0.000 0.351 989 M C -0.264 175.979 176.300 -0.095 0.000 1.214 989 M CA -0.168 54.971 55.300 -0.269 0.000 1.120 989 M CB 0.442 32.995 32.600 -0.078 0.000 1.443 989 M HN 0.496 nan 8.290 nan 0.000 0.429 990 D N 2.469 122.801 120.400 -0.113 0.000 2.365 990 D HA 0.097 4.738 4.640 0.002 0.000 0.237 990 D C 0.817 176.986 176.300 -0.219 0.000 1.190 990 D CA 0.110 54.070 54.000 -0.066 0.000 0.867 990 D CB 1.066 41.947 40.800 0.135 0.000 1.050 990 D HN 0.658 nan 8.370 nan 0.000 0.491 991 T N 0.016 114.469 114.554 -0.168 0.000 3.069 991 T HA 0.091 4.442 4.350 0.002 0.000 0.252 991 T C 0.563 175.164 174.700 -0.165 0.000 1.053 991 T CA -0.313 61.669 62.100 -0.197 0.000 0.964 991 T CB -0.153 68.653 68.868 -0.103 0.000 1.005 991 T HN 0.580 nan 8.240 nan 0.000 0.532 992 E N -0.090 120.020 120.200 -0.151 0.000 2.722 992 E HA -0.170 4.181 4.350 0.002 0.000 0.265 992 E C -0.048 176.493 176.600 -0.098 0.000 1.081 992 E CA 0.659 56.996 56.400 -0.105 0.000 0.781 992 E CB -2.512 27.202 29.700 0.023 0.000 1.372 992 E HN 0.831 nan 8.360 nan 0.000 0.423 993 V N -4.844 115.002 119.914 -0.114 0.000 3.279 993 V HA 0.354 4.475 4.120 0.002 0.000 0.281 993 V C -1.059 175.006 176.094 -0.049 0.000 1.601 993 V CA -1.297 60.974 62.300 -0.048 0.000 1.044 993 V CB 0.820 32.635 31.823 -0.013 0.000 1.205 993 V HN 0.045 nan 8.190 nan 0.000 0.464 994 Y N 1.633 121.932 120.300 -0.001 0.000 2.613 994 Y HA 0.488 5.039 4.550 0.002 0.000 0.354 994 Y C 1.784 177.668 175.900 -0.025 0.000 1.063 994 Y CA 0.795 58.903 58.100 0.013 0.000 1.384 994 Y CB 1.134 39.591 38.460 -0.005 0.000 1.199 994 Y HN 0.772 nan 8.280 nan 0.000 0.517 995 S N 1.922 117.673 115.700 0.085 0.000 2.335 995 S HA -0.204 4.267 4.470 0.002 0.000 0.217 995 S C 1.966 176.585 174.600 0.031 0.000 1.032 995 S CA 1.370 59.595 58.200 0.042 0.000 0.985 995 S CB -0.251 62.971 63.200 0.037 0.000 0.896 995 S HN 0.820 nan 8.310 nan 0.000 0.445 996 N N 1.220 119.940 118.700 0.034 0.000 2.060 996 N HA -0.160 4.581 4.740 0.002 0.000 0.195 996 N C 1.574 177.068 175.510 -0.027 0.000 1.028 996 N CA 2.297 55.350 53.050 0.005 0.000 0.861 996 N CB -0.405 38.071 38.487 -0.019 0.000 1.029 996 N HN 0.542 nan 8.380 nan 0.000 0.428 997 T N -4.424 110.111 114.554 -0.032 0.000 3.072 997 T HA 0.254 4.605 4.350 0.002 0.000 0.266 997 T C 1.269 175.926 174.700 -0.073 0.000 1.127 997 T CA 0.626 62.686 62.100 -0.066 0.000 1.107 997 T CB 0.091 68.901 68.868 -0.096 0.000 0.910 997 T HN 0.361 nan 8.240 nan 0.000 0.513 998 G N 0.140 108.906 108.800 -0.056 0.000 2.165 998 G HA2 0.337 4.298 3.960 0.002 0.000 0.144 998 G HA3 0.337 4.298 3.960 0.002 0.000 0.144 998 G C 0.689 175.532 174.900 -0.095 0.000 1.049 998 G CA -0.099 44.950 45.100 -0.086 0.000 0.741 998 G HN 1.418 nan 8.290 nan 0.000 0.493 999 G N -0.976 107.796 108.800 -0.047 0.000 2.225 999 G HA2 -0.086 3.875 3.960 0.002 0.000 0.264 999 G HA3 -0.086 3.875 3.960 0.002 0.000 0.264 999 G C 0.183 175.050 174.900 -0.056 0.000 1.060 999 G CA 0.843 45.913 45.100 -0.049 0.000 0.833 999 G HN 1.055 nan 8.290 nan 0.000 0.498 1000 Q N 0.342 120.145 119.800 0.004 0.000 2.299 1000 Q HA 0.600 4.941 4.340 0.002 0.000 0.246 1000 Q C 0.865 177.008 176.000 0.239 0.000 0.935 1000 Q CA 0.372 56.196 55.803 0.034 0.000 0.887 1000 Q CB 1.318 30.085 28.738 0.049 0.000 1.223 1000 Q HN 0.473 nan 8.270 nan 0.000 0.439 1001 S N 1.231 117.063 115.700 0.219 0.000 2.573 1001 S HA 0.380 4.851 4.470 0.002 0.000 0.277 1001 S C -0.159 174.660 174.600 0.365 0.000 1.346 1001 S CA 0.088 58.419 58.200 0.218 0.000 1.034 1001 S CB 0.168 63.472 63.200 0.173 0.000 0.879 1001 S HN 0.664 nan 8.310 nan 0.000 0.528 1002 S N 2.857 118.673 115.700 0.194 0.000 2.697 1002 S HA 0.502 4.973 4.470 0.002 0.000 0.289 1002 S C 0.222 174.840 174.600 0.030 0.000 1.149 1002 S CA -0.996 57.292 58.200 0.147 0.000 0.850 1002 S CB 1.156 64.207 63.200 -0.247 0.000 1.151 1002 S HN 0.730 nan 8.310 nan 0.000 0.491 1003 K N 0.053 120.464 120.400 0.018 0.000 2.515 1003 K HA 0.076 4.397 4.320 0.002 0.000 0.196 1003 K C 1.586 178.129 176.600 -0.096 0.000 1.038 1003 K CA 0.890 57.184 56.287 0.011 0.000 0.967 1003 K CB -0.376 32.160 32.500 0.060 0.000 0.780 1003 K HN 0.659 nan 8.250 nan 0.000 0.483 1004 A N 0.757 123.349 122.820 -0.379 0.000 2.195 1004 A HA 0.036 4.357 4.320 0.002 0.000 0.210 1004 A C 0.758 178.205 177.584 -0.229 0.000 1.165 1004 A CA 0.194 51.827 52.037 -0.675 0.000 0.806 1004 A CB 0.118 18.270 19.000 -1.412 0.000 0.847 1004 A HN 0.062 nan 8.150 nan 0.000 0.482 1005 T N 3.828 118.315 114.554 -0.111 0.000 2.888 1005 T HA 0.312 4.663 4.350 0.002 0.000 0.301 1005 T C -2.272 172.473 174.700 0.076 0.000 1.001 1005 T CA -0.560 61.542 62.100 0.004 0.000 1.147 1005 T CB 0.923 69.803 68.868 0.020 0.000 0.931 1005 T HN 0.302 nan 8.240 nan 0.000 0.541 1006 P HA 0.152 nan 4.420 nan 0.000 0.276 1006 P C -0.202 177.241 177.300 0.238 0.000 1.261 1006 P CA -0.522 62.725 63.100 0.245 0.000 0.800 1006 P CB 0.417 32.393 31.700 0.461 0.000 1.066 1007 T N 0.591 115.277 114.554 0.219 0.000 2.928 1007 T HA 0.295 4.646 4.350 0.002 0.000 0.305 1007 T C 1.427 176.288 174.700 0.267 0.000 1.035 1007 T CA 1.868 64.080 62.100 0.186 0.000 1.145 1007 T CB -0.708 68.247 68.868 0.145 0.000 0.963 1007 T HN 0.806 nan 8.240 nan 0.000 0.545 1008 G N 2.259 111.180 108.800 0.203 0.000 2.212 1008 G HA2 -0.171 3.790 3.960 0.002 0.000 0.266 1008 G HA3 -0.171 3.790 3.960 0.002 0.000 0.266 1008 G C 0.320 175.394 174.900 0.291 0.000 0.978 1008 G CA 0.066 45.309 45.100 0.240 0.000 0.632 1008 G HN 1.191 nan 8.290 nan 0.000 0.537 1009 A N 0.114 123.071 122.820 0.228 0.000 2.401 1009 A HA 0.661 4.982 4.320 0.002 0.000 0.259 1009 A C 0.547 178.046 177.584 -0.141 0.000 1.103 1009 A CA 0.275 52.212 52.037 -0.167 0.000 0.789 1009 A CB 0.974 19.846 19.000 -0.214 0.000 1.035 1009 A HN 1.109 nan 8.150 nan 0.000 0.491 1010 V N 1.767 121.554 119.914 -0.212 0.000 2.498 1010 V HA 0.646 4.767 4.120 0.002 0.000 0.279 1010 V C 0.623 176.628 176.094 -0.149 0.000 1.048 1010 V CA 0.747 62.961 62.300 -0.143 0.000 0.967 1010 V CB 0.646 32.398 31.823 -0.119 0.000 0.988 1010 V HN 1.372 nan 8.190 nan 0.000 0.473 1011 A N 4.847 127.596 122.820 -0.118 0.000 2.586 1011 A HA 0.715 5.036 4.320 0.002 0.000 0.290 1011 A C -1.078 176.405 177.584 -0.168 0.000 1.086 1011 A CA -1.010 50.952 52.037 -0.126 0.000 0.665 1011 A CB 1.257 20.211 19.000 -0.077 0.000 1.279 1011 A HN 0.518 nan 8.150 nan 0.000 0.423 1012 K N 0.476 120.711 120.400 -0.276 0.000 2.489 1012 K HA 0.356 4.677 4.320 0.002 0.000 0.278 1012 K C -0.312 175.972 176.600 -0.526 0.000 1.000 1012 K CA 0.596 56.541 56.287 -0.569 0.000 1.012 1012 K CB -0.821 31.161 32.500 -0.864 0.000 0.903 1012 K HN 0.947 nan 8.250 nan 0.000 0.485 1013 F N -1.162 118.754 119.950 -0.055 0.000 2.699 1013 F HA -0.308 4.220 4.527 0.002 0.000 0.343 1013 F C 0.546 176.334 175.800 -0.019 0.000 0.633 1013 F CA 0.631 58.611 58.000 -0.032 0.000 1.365 1013 F CB -1.490 37.489 39.000 -0.035 0.000 1.795 1013 F HN 0.593 nan 8.300 nan 0.000 0.304 1014 A N -0.326 122.528 122.820 0.057 0.000 2.897 1014 A HA 0.776 5.097 4.320 0.002 0.000 0.230 1014 A C 0.897 178.451 177.584 -0.050 0.000 0.896 1014 A CA 0.359 52.407 52.037 0.018 0.000 1.114 1014 A CB -0.198 18.814 19.000 0.019 0.000 1.230 1014 A HN 0.639 nan 8.150 nan 0.000 0.481 1015 A N -0.294 122.495 122.820 -0.051 0.000 2.131 1015 A HA 0.279 4.600 4.320 0.002 0.000 0.220 1015 A C 1.616 179.121 177.584 -0.132 0.000 1.158 1015 A CA 1.829 53.823 52.037 -0.072 0.000 0.665 1015 A CB -0.090 18.892 19.000 -0.030 0.000 0.795 1015 A HN 1.577 nan 8.150 nan 0.000 0.460 1016 A N -1.206 121.486 122.820 -0.212 0.000 2.631 1016 A HA 0.531 4.852 4.320 0.002 0.000 0.294 1016 A C 0.913 178.288 177.584 -0.349 0.000 1.156 1016 A CA 0.540 52.273 52.037 -0.506 0.000 0.963 1016 A CB -0.838 17.839 19.000 -0.538 0.000 1.202 1016 A HN 1.998 nan 8.150 nan 0.000 0.523 1017 G N 0.362 109.054 108.800 -0.179 0.000 3.172 1017 G HA2 -0.139 3.822 3.960 0.002 0.000 0.686 1017 G HA3 -0.139 3.822 3.960 0.002 0.000 0.686 1017 G C -0.320 174.561 174.900 -0.031 0.000 1.009 1017 G CA -0.166 44.886 45.100 -0.080 0.000 0.787 1017 G HN 0.724 nan 8.290 nan 0.000 0.559 1018 K N 1.286 121.695 120.400 0.014 0.000 2.511 1018 K HA 0.149 4.470 4.320 0.002 0.000 0.280 1018 K C 1.157 177.785 176.600 0.047 0.000 1.008 1018 K CA 0.001 56.312 56.287 0.040 0.000 1.050 1018 K CB 0.255 32.793 32.500 0.063 0.000 0.889 1018 K HN 0.393 nan 8.250 nan 0.000 0.484 1019 R N 2.025 122.548 120.500 0.039 0.000 2.388 1019 R HA 0.066 4.407 4.340 0.002 0.000 0.247 1019 R C -0.145 176.182 176.300 0.045 0.000 0.931 1019 R CA 0.152 56.275 56.100 0.038 0.000 1.082 1019 R CB -0.046 30.270 30.300 0.026 0.000 1.135 1019 R HN 0.756 nan 8.270 nan 0.000 0.525 1020 T N -3.109 111.476 114.554 0.051 0.000 2.893 1020 T HA 0.705 5.056 4.350 0.002 0.000 0.291 1020 T C 0.491 175.225 174.700 0.057 0.000 1.028 1020 T CA -0.799 61.330 62.100 0.047 0.000 0.995 1020 T CB 2.781 71.673 68.868 0.041 0.000 1.051 1020 T HN 0.074 nan 8.240 nan 0.000 0.470 1021 G N 0.641 109.472 108.800 0.051 0.000 2.616 1021 G HA2 0.433 4.394 3.960 0.002 0.000 0.268 1021 G HA3 0.433 4.394 3.960 0.002 0.000 0.268 1021 G C -0.375 174.554 174.900 0.048 0.000 1.213 1021 G CA -0.992 44.142 45.100 0.057 0.000 0.926 1021 G HN 0.979 nan 8.290 nan 0.000 0.523 1022 K N 0.158 120.588 120.400 0.050 0.000 2.451 1022 K HA 0.044 4.365 4.320 0.002 0.000 0.280 1022 K C 0.609 177.237 176.600 0.046 0.000 1.020 1022 K CA -0.150 56.163 56.287 0.044 0.000 1.008 1022 K CB 0.345 32.870 32.500 0.042 0.000 0.917 1022 K HN 0.458 nan 8.250 nan 0.000 0.478 1023 K N 3.831 124.280 120.400 0.082 0.000 2.412 1023 K HA -0.068 4.253 4.320 0.002 0.000 0.281 1023 K C -0.459 176.185 176.600 0.073 0.000 1.027 1023 K CA -0.135 56.190 56.287 0.064 0.000 0.989 1023 K CB 0.605 33.151 32.500 0.077 0.000 0.935 1023 K HN 0.517 nan 8.250 nan 0.000 0.475 1024 D N 5.630 126.006 120.400 -0.040 0.000 2.558 1024 D HA -0.002 4.639 4.640 0.002 0.000 0.221 1024 D C 1.021 177.222 176.300 -0.165 0.000 1.143 1024 D CA -0.158 53.793 54.000 -0.081 0.000 1.010 1024 D CB 0.309 41.045 40.800 -0.106 0.000 1.068 1024 D HN 0.556 nan 8.370 nan 0.000 0.511 1025 L N 3.499 124.563 121.223 -0.266 0.000 2.012 1025 L HA -0.155 4.186 4.340 0.002 0.000 0.210 1025 L C 2.071 178.800 176.870 -0.235 0.000 1.073 1025 L CA 2.233 56.814 54.840 -0.431 0.000 0.748 1025 L CB -0.675 40.826 42.059 -0.929 0.000 0.891 1025 L HN 0.278 nan 8.230 nan 0.000 0.431 1026 A N -0.207 122.523 122.820 -0.149 0.000 1.865 1026 A HA -0.246 4.075 4.320 0.002 0.000 0.217 1026 A C 2.416 179.940 177.584 -0.100 0.000 1.191 1026 A CA 2.069 54.085 52.037 -0.034 0.000 0.623 1026 A CB -0.626 18.479 19.000 0.175 0.000 0.826 1026 A HN 0.541 nan 8.150 nan 0.000 0.444 1027 R N -1.194 119.214 120.500 -0.152 0.000 2.148 1027 R HA -0.000 4.341 4.340 0.002 0.000 0.227 1027 R C 2.216 178.376 176.300 -0.233 0.000 1.103 1027 R CA 1.353 57.308 56.100 -0.241 0.000 0.983 1027 R CB -0.373 29.774 30.300 -0.254 0.000 0.874 1027 R HN 0.579 nan 8.270 nan 0.000 0.451 1028 M N 0.014 119.502 119.600 -0.187 0.000 2.099 1028 M HA -0.131 4.350 4.480 0.002 0.000 0.262 1028 M C 2.230 178.424 176.300 -0.178 0.000 1.067 1028 M CA 1.415 56.612 55.300 -0.170 0.000 1.124 1028 M CB -0.096 32.439 32.600 -0.110 0.000 1.353 1028 M HN -0.050 nan 8.290 nan 0.000 0.410 1029 V N 0.286 120.131 119.914 -0.115 0.000 2.548 1029 V HA -0.212 3.909 4.120 0.002 0.000 0.249 1029 V C 2.227 178.228 176.094 -0.154 0.000 1.055 1029 V CA 1.358 63.639 62.300 -0.032 0.000 1.065 1029 V CB -0.554 31.260 31.823 -0.016 0.000 0.681 1029 V HN 0.516 nan 8.190 nan 0.000 0.462 1030 M N 0.616 120.021 119.600 -0.325 0.000 2.460 1030 M HA -0.122 4.359 4.480 0.002 0.000 0.263 1030 M C 2.230 178.183 176.300 -0.578 0.000 1.071 1030 M CA 1.837 56.755 55.300 -0.636 0.000 1.096 1030 M CB -0.741 31.427 32.600 -0.719 0.000 1.408 1030 M HN 0.629 nan 8.290 nan 0.000 0.463 1031 T N -2.411 111.891 114.554 -0.419 0.000 3.025 1031 T HA -0.150 4.201 4.350 0.002 0.000 0.270 1031 T C 1.308 175.770 174.700 -0.397 0.000 1.126 1031 T CA 0.947 62.814 62.100 -0.388 0.000 1.105 1031 T CB -0.503 68.130 68.868 -0.390 0.000 0.884 1031 T HN 0.346 nan 8.240 nan 0.000 0.522 1032 Y N 1.780 121.854 120.300 -0.377 0.000 2.337 1032 Y HA 0.298 4.849 4.550 0.002 0.000 0.293 1032 Y C 2.546 178.207 175.900 -0.397 0.000 1.123 1032 Y CA 0.421 58.226 58.100 -0.493 0.000 1.201 1032 Y CB -0.617 37.334 38.460 -0.848 0.000 1.011 1032 Y HN 0.419 nan 8.280 nan 0.000 0.545 1033 G N -0.399 108.308 108.800 -0.156 0.000 2.347 1033 G HA2 -0.417 3.544 3.960 0.002 0.000 0.247 1033 G HA3 -0.417 3.544 3.960 0.002 0.000 0.247 1033 G C 0.794 175.824 174.900 0.217 0.000 1.037 1033 G CA 0.807 45.967 45.100 0.099 0.000 0.622 1033 G HN 0.574 nan 8.290 nan 0.000 0.521 1034 Y N 0.004 120.431 120.300 0.212 0.000 2.555 1034 Y HA 0.758 5.309 4.550 0.002 0.000 0.259 1034 Y C 0.453 176.472 175.900 0.199 0.000 1.179 1034 Y CA -0.842 57.391 58.100 0.222 0.000 1.230 1034 Y CB -0.119 38.537 38.460 0.326 0.000 1.146 1034 Y HN 0.217 nan 8.280 nan 0.000 0.526 1035 V N 1.689 121.610 119.914 0.012 0.000 2.483 1035 V HA 0.174 4.295 4.120 0.002 0.000 0.295 1035 V C -0.865 175.154 176.094 -0.125 0.000 1.035 1035 V CA -1.223 61.090 62.300 0.022 0.000 0.896 1035 V CB 1.296 33.050 31.823 -0.114 0.000 0.986 1035 V HN 0.312 nan 8.190 nan 0.000 0.447 1036 Y N 4.876 124.925 120.300 -0.418 0.000 2.359 1036 Y HA 0.540 5.091 4.550 0.002 0.000 0.334 1036 Y C -0.299 175.518 175.900 -0.139 0.000 1.058 1036 Y CA 0.076 57.874 58.100 -0.502 0.000 1.244 1036 Y CB 1.038 38.995 38.460 -0.838 0.000 1.187 1036 Y HN 0.402 nan 8.280 nan 0.000 0.510 1037 V N 5.654 125.340 119.914 -0.379 0.000 2.656 1037 V HA 0.909 5.030 4.120 0.002 0.000 0.307 1037 V C -0.649 175.364 176.094 -0.134 0.000 1.051 1037 V CA -0.491 61.744 62.300 -0.108 0.000 0.893 1037 V CB 1.319 33.118 31.823 -0.040 0.000 0.999 1037 V HN 0.941 nan 8.190 nan 0.000 0.426 1038 A N 2.604 125.457 122.820 0.055 0.000 2.606 1038 A HA 0.956 5.277 4.320 0.002 0.000 0.293 1038 A C -0.443 177.118 177.584 -0.038 0.000 1.082 1038 A CA -0.289 51.767 52.037 0.031 0.000 0.685 1038 A CB 2.236 21.361 19.000 0.208 0.000 1.284 1038 A HN 1.018 nan 8.150 nan 0.000 0.408 1039 T N -1.236 113.153 114.554 -0.275 0.000 2.887 1039 T HA 0.826 5.177 4.350 0.002 0.000 0.288 1039 T C -0.146 174.604 174.700 0.083 0.000 1.021 1039 T CA -0.073 61.902 62.100 -0.208 0.000 1.000 1039 T CB 0.973 69.384 68.868 -0.763 0.000 1.034 1039 T HN 2.127 nan 8.240 nan 0.000 0.467 1040 V N -1.586 118.537 119.914 0.347 0.000 3.160 1040 V HA 0.991 5.112 4.120 0.002 0.000 0.310 1040 V C -0.564 175.803 176.094 0.455 0.000 1.181 1040 V CA -0.854 61.699 62.300 0.421 0.000 1.047 1040 V CB 1.680 33.828 31.823 0.542 0.000 1.068 1040 V HN 1.221 nan 8.190 nan 0.000 0.441 1041 S N 1.380 117.326 115.700 0.411 0.000 2.382 1041 S HA 0.289 4.760 4.470 0.002 0.000 0.228 1041 S C 0.313 175.102 174.600 0.316 0.000 0.996 1041 S CA 0.041 58.446 58.200 0.342 0.000 1.094 1041 S CB 1.003 64.341 63.200 0.230 0.000 1.209 1041 S HN 1.057 nan 8.310 nan 0.000 0.420 1042 M N 3.834 123.574 119.600 0.233 0.000 2.089 1042 M HA -0.082 4.399 4.480 0.002 0.000 0.257 1042 M C 1.970 178.328 176.300 0.096 0.000 1.071 1042 M CA 2.693 58.021 55.300 0.047 0.000 1.096 1042 M CB -0.754 31.633 32.600 -0.355 0.000 1.330 1042 M HN 0.823 nan 8.290 nan 0.000 0.403 1043 G N -1.369 107.488 108.800 0.094 0.000 2.450 1043 G HA2 -0.311 3.650 3.960 0.002 0.000 0.220 1043 G HA3 -0.311 3.650 3.960 0.002 0.000 0.220 1043 G C 1.189 176.172 174.900 0.139 0.000 1.130 1043 G CA 1.133 46.290 45.100 0.096 0.000 0.760 1043 G HN 0.627 nan 8.290 nan 0.000 0.557 1044 Y N 0.597 120.932 120.300 0.058 0.000 2.269 1044 Y HA 0.346 4.897 4.550 0.001 0.000 0.294 1044 Y C 0.986 176.922 175.900 0.060 0.000 1.120 1044 Y CA 0.984 59.118 58.100 0.058 0.000 1.159 1044 Y CB 0.411 38.919 38.460 0.081 0.000 1.024 1044 Y HN 0.145 nan 8.280 nan 0.000 0.532 1045 S N -0.162 115.609 115.700 0.118 0.000 2.653 1045 S HA 0.285 4.756 4.470 0.002 0.000 0.268 1045 S C -0.137 174.543 174.600 0.134 0.000 1.153 1045 S CA -0.792 57.415 58.200 0.013 0.000 1.036 1045 S CB 0.885 64.101 63.200 0.026 0.000 1.103 1045 S HN 0.337 nan 8.310 nan 0.000 0.466 1046 K N 2.662 123.064 120.400 0.004 0.000 2.155 1046 K HA -0.041 4.280 4.320 0.002 0.000 0.203 1046 K C 1.889 178.557 176.600 0.114 0.000 1.052 1046 K CA 1.132 57.427 56.287 0.012 0.000 0.948 1046 K CB 0.011 32.116 32.500 -0.657 0.000 0.728 1046 K HN 0.648 nan 8.250 nan 0.000 0.448 1047 Q N 0.724 120.530 119.800 0.009 0.000 2.079 1047 Q HA -0.177 4.164 4.340 0.002 0.000 0.200 1047 Q C 2.268 178.343 176.000 0.125 0.000 0.974 1047 Q CA 1.041 56.867 55.803 0.038 0.000 0.840 1047 Q CB -0.087 28.643 28.738 -0.014 0.000 0.898 1047 Q HN 0.257 nan 8.270 nan 0.000 0.430 1048 Q N 0.409 120.311 119.800 0.171 0.000 2.170 1048 Q HA -0.171 4.170 4.340 0.002 0.000 0.203 1048 Q C 1.822 178.015 176.000 0.321 0.000 0.976 1048 Q CA 1.075 57.011 55.803 0.222 0.000 0.858 1048 Q CB -0.069 28.820 28.738 0.253 0.000 0.907 1048 Q HN 0.375 nan 8.270 nan 0.000 0.433 1049 F N 0.736 120.827 119.950 0.234 0.000 2.163 1049 F HA -0.096 4.432 4.527 0.002 0.000 0.297 1049 F C 1.842 177.805 175.800 0.272 0.000 1.094 1049 F CA 1.006 59.189 58.000 0.305 0.000 1.290 1049 F CB -0.449 38.787 39.000 0.393 0.000 1.017 1049 F HN 0.022 nan 8.300 nan 0.000 0.483 1050 L N 0.348 121.582 121.223 0.018 0.000 2.093 1050 L HA -0.193 4.148 4.340 0.002 0.000 0.208 1050 L C 2.623 179.478 176.870 -0.026 0.000 1.085 1050 L CA 1.642 56.407 54.840 -0.126 0.000 0.755 1050 L CB -0.721 41.348 42.059 0.017 0.000 0.904 1050 L HN 0.119 nan 8.230 nan 0.000 0.435 1051 K N 0.047 120.484 120.400 0.062 0.000 2.057 1051 K HA -0.153 4.168 4.320 0.002 0.000 0.207 1051 K C 2.008 178.680 176.600 0.120 0.000 1.049 1051 K CA 1.278 57.618 56.287 0.088 0.000 0.931 1051 K CB 0.051 32.613 32.500 0.103 0.000 0.714 1051 K HN 0.069 nan 8.250 nan 0.000 0.440 1052 V N 1.755 121.768 119.914 0.165 0.000 2.358 1052 V HA -0.243 3.878 4.120 0.002 0.000 0.246 1052 V C 2.314 178.520 176.094 0.185 0.000 1.047 1052 V CA 1.461 63.904 62.300 0.237 0.000 1.035 1052 V CB -0.309 31.718 31.823 0.340 0.000 0.658 1052 V HN 0.331 nan 8.190 nan 0.000 0.452 1053 L N -0.068 121.230 121.223 0.126 0.000 1.989 1053 L HA -0.263 4.078 4.340 0.002 0.000 0.211 1053 L C 2.619 179.686 176.870 0.328 0.000 1.071 1053 L CA 2.357 57.338 54.840 0.235 0.000 0.749 1053 L CB -0.700 41.380 42.059 0.034 0.000 0.890 1053 L HN 0.337 nan 8.230 nan 0.000 0.431 1054 K N 0.470 121.005 120.400 0.225 0.000 2.009 1054 K HA -0.238 4.083 4.320 0.002 0.000 0.210 1054 K C 1.912 178.580 176.600 0.112 0.000 1.049 1054 K CA 1.933 58.356 56.287 0.227 0.000 0.929 1054 K CB -0.065 32.510 32.500 0.126 0.000 0.714 1054 K HN 0.335 nan 8.250 nan 0.000 0.440 1055 E N -0.109 120.104 120.200 0.021 0.000 2.072 1055 E HA -0.173 4.178 4.350 0.002 0.000 0.191 1055 E C 2.009 178.299 176.600 -0.516 0.000 0.985 1055 E CA 0.980 57.297 56.400 -0.140 0.000 0.801 1055 E CB -0.108 29.570 29.700 -0.036 0.000 0.750 1055 E HN 0.471 nan 8.360 nan 0.000 0.452 1056 A N 1.662 124.135 122.820 -0.579 0.000 1.855 1056 A HA -0.216 4.105 4.320 0.002 0.000 0.215 1056 A C 2.170 179.585 177.584 -0.282 0.000 1.191 1056 A CA 1.309 52.949 52.037 -0.662 0.000 0.613 1056 A CB -0.390 18.493 19.000 -0.196 0.000 0.829 1056 A HN 0.106 nan 8.150 nan 0.000 0.442 1057 E N 0.715 120.822 120.200 -0.155 0.000 2.110 1057 E HA -0.156 4.195 4.350 0.002 0.000 0.193 1057 E C 2.232 178.756 176.600 -0.127 0.000 0.988 1057 E CA 1.673 57.928 56.400 -0.241 0.000 0.804 1057 E CB -0.207 29.248 29.700 -0.407 0.000 0.745 1057 E HN 0.671 nan 8.360 nan 0.000 0.458 1058 S N -0.375 115.312 115.700 -0.022 0.000 2.496 1058 S HA -0.041 4.430 4.470 0.002 0.000 0.224 1058 S C 0.834 175.465 174.600 0.051 0.000 0.996 1058 S CA -0.458 57.759 58.200 0.029 0.000 0.927 1058 S CB -0.489 62.755 63.200 0.073 0.000 0.774 1058 S HN 0.187 nan 8.310 nan 0.000 0.524 1059 F N 5.753 125.622 119.950 -0.135 0.000 2.578 1059 F HA 0.330 4.858 4.527 0.002 0.000 0.381 1059 F C -2.241 173.552 175.800 -0.012 0.000 1.069 1059 F CA -2.769 55.188 58.000 -0.071 0.000 1.231 1059 F CB 0.691 39.605 39.000 -0.142 0.000 1.086 1059 F HN 0.036 nan 8.300 nan 0.000 0.564 1060 P HA 0.282 nan 4.420 nan 0.000 0.218 1060 P C -0.220 176.733 177.300 -0.578 0.000 1.793 1060 P CA 0.298 63.151 63.100 -0.411 0.000 0.941 1060 P CB -0.030 31.533 31.700 -0.229 0.000 1.919 1061 G N 1.124 109.558 108.800 -0.610 0.000 2.490 1061 G HA2 0.425 4.386 3.960 0.002 0.000 0.308 1061 G HA3 0.425 4.386 3.960 0.002 0.000 0.308 1061 G C -3.560 171.434 174.900 0.156 0.000 1.286 1061 G CA -1.025 43.920 45.100 -0.257 0.000 0.825 1061 G HN -0.157 nan 8.290 nan 0.000 0.479 1062 P HA 0.465 nan 4.420 nan 0.000 0.275 1062 P C -0.677 176.823 177.300 0.332 0.000 1.228 1062 P CA -0.001 63.244 63.100 0.243 0.000 0.786 1062 P CB 1.460 33.256 31.700 0.159 0.000 0.927 1063 S N 1.733 117.541 115.700 0.180 0.000 2.538 1063 S HA 0.637 5.108 4.470 0.002 0.000 0.288 1063 S C -1.200 173.495 174.600 0.159 0.000 1.108 1063 S CA -0.429 57.880 58.200 0.181 0.000 0.971 1063 S CB 0.836 64.072 63.200 0.061 0.000 1.041 1063 S HN 0.328 nan 8.310 nan 0.000 0.483 1064 L N 4.011 125.363 121.223 0.215 0.000 2.406 1064 L HA 0.786 5.127 4.340 0.002 0.000 0.272 1064 L C -1.632 175.394 176.870 0.261 0.000 0.980 1064 L CA -0.397 54.564 54.840 0.202 0.000 0.831 1064 L CB 1.530 43.656 42.059 0.112 0.000 1.253 1064 L HN 0.451 nan 8.230 nan 0.000 0.406 1065 V N 6.629 126.740 119.914 0.329 0.000 2.483 1065 V HA 0.516 4.637 4.120 0.002 0.000 0.297 1065 V C -0.197 176.035 176.094 0.230 0.000 1.027 1065 V CA -0.391 62.137 62.300 0.380 0.000 0.855 1065 V CB 1.752 33.967 31.823 0.653 0.000 0.995 1065 V HN 0.621 nan 8.190 nan 0.000 0.424 1066 I N 4.289 124.953 120.570 0.156 0.000 2.362 1066 I HA 0.751 4.922 4.170 0.002 0.000 0.289 1066 I C 0.382 176.614 176.117 0.191 0.000 0.994 1066 I CA -0.433 60.934 61.300 0.111 0.000 1.158 1066 I CB 1.712 39.814 38.000 0.170 0.000 1.315 1066 I HN 0.658 nan 8.210 nan 0.000 0.451 1067 A N 5.665 128.422 122.820 -0.105 0.000 2.325 1067 A HA 0.498 4.819 4.320 0.002 0.000 0.333 1067 A C -1.253 176.173 177.584 -0.264 0.000 1.155 1067 A CA -0.432 51.455 52.037 -0.251 0.000 0.814 1067 A CB 0.778 19.168 19.000 -1.016 0.000 1.206 1067 A HN 0.649 nan 8.150 nan 0.000 0.482 1068 Y N 2.091 122.102 120.300 -0.481 0.000 2.504 1068 Y HA 0.465 5.017 4.550 0.002 0.000 0.351 1068 Y C 0.342 176.101 175.900 -0.236 0.000 0.988 1068 Y CA -0.202 57.413 58.100 -0.808 0.000 1.239 1068 Y CB 0.312 38.034 38.460 -1.229 0.000 1.128 1068 Y HN 0.766 nan 8.280 nan 0.000 0.525 1069 A N 5.227 127.712 122.820 -0.558 0.000 2.271 1069 A HA 0.505 4.826 4.320 0.002 0.000 0.317 1069 A C 0.078 177.423 177.584 -0.398 0.000 1.245 1069 A CA -0.385 51.511 52.037 -0.234 0.000 0.857 1069 A CB -0.023 18.913 19.000 -0.107 0.000 1.175 1069 A HN 0.780 nan 8.150 nan 0.000 0.512 1070 T N -0.950 113.489 114.554 -0.191 0.000 2.868 1070 T HA 0.493 4.844 4.350 0.002 0.000 0.292 1070 T C -0.015 174.630 174.700 -0.092 0.000 1.028 1070 T CA -0.559 61.459 62.100 -0.137 0.000 1.059 1070 T CB 1.060 69.932 68.868 0.006 0.000 0.991 1070 T HN 1.246 nan 8.240 nan 0.000 0.531 1071 C N 3.365 122.618 119.300 -0.078 0.000 2.985 1071 C HA 0.487 4.948 4.460 0.002 0.000 0.332 1071 C C 1.735 176.702 174.990 -0.039 0.000 1.164 1071 C CA -0.960 58.030 59.018 -0.047 0.000 1.347 1071 C CB -0.061 27.645 27.740 -0.056 0.000 1.764 1071 C HN 1.095 nan 8.230 nan 0.000 0.489 1072 I N 1.706 122.264 120.570 -0.020 0.000 2.399 1072 I HA -0.157 4.014 4.170 0.002 0.000 0.254 1072 I C 1.674 177.766 176.117 -0.042 0.000 1.146 1072 I CA 2.131 63.417 61.300 -0.023 0.000 1.412 1072 I CB -0.598 37.397 38.000 -0.008 0.000 1.076 1072 I HN 0.781 nan 8.210 nan 0.000 0.432 1073 N N 0.959 119.630 118.700 -0.048 0.000 2.223 1073 N HA -0.196 4.545 4.740 0.002 0.000 0.185 1073 N C 1.850 177.304 175.510 -0.094 0.000 1.016 1073 N CA 1.218 54.228 53.050 -0.067 0.000 0.863 1073 N CB -0.153 38.296 38.487 -0.064 0.000 0.983 1073 N HN 0.559 nan 8.380 nan 0.000 0.429 1074 Q N -0.085 119.658 119.800 -0.096 0.000 2.291 1074 Q HA 0.016 4.357 4.340 0.002 0.000 0.205 1074 Q C 0.640 176.567 176.000 -0.121 0.000 0.970 1074 Q CA 0.640 56.367 55.803 -0.126 0.000 0.876 1074 Q CB 0.231 28.909 28.738 -0.100 0.000 0.935 1074 Q HN 0.422 nan 8.270 nan 0.000 0.455 1075 G N 1.259 110.008 108.800 -0.085 0.000 2.353 1075 G HA2 -0.250 3.711 3.960 0.002 0.000 0.294 1075 G HA3 -0.250 3.711 3.960 0.002 0.000 0.294 1075 G C -0.342 174.522 174.900 -0.060 0.000 1.077 1075 G CA -0.333 44.725 45.100 -0.070 0.000 1.098 1075 G HN 0.223 nan 8.290 nan 0.000 0.511 1076 L N 0.094 121.288 121.223 -0.048 0.000 2.500 1076 L HA 0.166 4.507 4.340 0.002 0.000 0.272 1076 L C 2.092 178.945 176.870 -0.029 0.000 1.149 1076 L CA -0.186 54.630 54.840 -0.041 0.000 0.897 1076 L CB 0.333 42.379 42.059 -0.022 0.000 1.178 1076 L HN 0.386 nan 8.230 nan 0.000 0.473 1077 R N 2.174 122.657 120.500 -0.029 0.000 2.293 1077 R HA -0.093 4.248 4.340 0.002 0.000 0.219 1077 R C 0.936 177.230 176.300 -0.010 0.000 1.091 1077 R CA 0.980 57.069 56.100 -0.018 0.000 1.004 1077 R CB 0.032 30.322 30.300 -0.017 0.000 0.865 1077 R HN 0.556 nan 8.270 nan 0.000 0.469 1078 K N -0.288 120.108 120.400 -0.007 0.000 2.413 1078 K HA 0.192 4.513 4.320 0.002 0.000 0.204 1078 K C -0.077 176.524 176.600 0.002 0.000 1.041 1078 K CA 0.209 56.496 56.287 -0.000 0.000 1.082 1078 K CB 1.802 34.304 32.500 0.004 0.000 0.871 1078 K HN 0.239 nan 8.250 nan 0.000 0.535 1079 G N 1.047 109.846 108.800 -0.001 0.000 2.587 1079 G HA2 -0.179 3.782 3.960 0.002 0.000 0.686 1079 G HA3 -0.179 3.782 3.960 0.002 0.000 0.686 1079 G C 0.180 175.083 174.900 0.004 0.000 1.236 1079 G CA -0.886 44.214 45.100 0.001 0.000 0.820 1079 G HN -0.108 nan 8.290 nan 0.000 0.645 1080 M N 1.189 120.792 119.600 0.004 0.000 2.549 1080 M HA 0.028 4.509 4.480 0.002 0.000 0.260 1080 M C 2.497 178.804 176.300 0.011 0.000 1.076 1080 M CA 1.732 57.037 55.300 0.007 0.000 1.090 1080 M CB -1.124 31.480 32.600 0.007 0.000 1.418 1080 M HN 1.018 nan 8.290 nan 0.000 0.486 1081 G N 0.266 109.072 108.800 0.011 0.000 2.559 1081 G HA2 -0.153 3.808 3.960 0.002 0.000 0.216 1081 G HA3 -0.153 3.808 3.960 0.002 0.000 0.216 1081 G C 1.482 176.393 174.900 0.018 0.000 1.126 1081 G CA 0.439 45.548 45.100 0.014 0.000 0.778 1081 G HN 0.297 nan 8.290 nan 0.000 0.543 1082 K N 0.855 121.267 120.400 0.021 0.000 2.410 1082 K HA 0.250 4.571 4.320 0.002 0.000 0.200 1082 K C 2.068 178.694 176.600 0.043 0.000 1.023 1082 K CA -0.039 56.266 56.287 0.030 0.000 1.149 1082 K CB 0.417 32.933 32.500 0.027 0.000 0.859 1082 K HN 0.141 nan 8.250 nan 0.000 0.514 1083 S N 1.742 117.465 115.700 0.038 0.000 2.359 1083 S HA -0.181 4.290 4.470 0.002 0.000 0.223 1083 S C 1.781 176.423 174.600 0.071 0.000 1.039 1083 S CA 1.306 59.538 58.200 0.054 0.000 1.042 1083 S CB 0.005 63.219 63.200 0.024 0.000 0.915 1083 S HN 0.340 nan 8.310 nan 0.000 0.439 1084 Q N 0.806 120.631 119.800 0.042 0.000 2.061 1084 Q HA -0.176 4.165 4.340 0.002 0.000 0.204 1084 Q C 1.945 177.987 176.000 0.070 0.000 0.984 1084 Q CA 1.607 57.436 55.803 0.044 0.000 0.846 1084 Q CB -0.802 27.950 28.738 0.024 0.000 0.902 1084 Q HN 0.544 nan 8.270 nan 0.000 0.421 1085 D N -0.185 120.254 120.400 0.065 0.000 2.117 1085 D HA -0.108 4.533 4.640 0.002 0.000 0.197 1085 D C 1.894 178.259 176.300 0.107 0.000 0.987 1085 D CA 0.780 54.825 54.000 0.075 0.000 0.829 1085 D CB 0.175 41.010 40.800 0.059 0.000 0.961 1085 D HN 0.016 nan 8.370 nan 0.000 0.460 1086 V N 0.269 120.259 119.914 0.125 0.000 2.427 1086 V HA -0.235 3.886 4.120 0.002 0.000 0.248 1086 V C 2.473 178.689 176.094 0.203 0.000 1.051 1086 V CA 1.529 63.946 62.300 0.196 0.000 1.048 1086 V CB -0.440 31.490 31.823 0.179 0.000 0.666 1086 V HN 0.302 nan 8.190 nan 0.000 0.456 1087 M N -0.123 119.575 119.600 0.164 0.000 2.159 1087 M HA -0.186 4.295 4.480 0.002 0.000 0.263 1087 M C 2.129 178.462 176.300 0.055 0.000 1.063 1087 M CA 2.026 57.387 55.300 0.101 0.000 1.110 1087 M CB -0.699 32.001 32.600 0.167 0.000 1.374 1087 M HN 0.456 nan 8.290 nan 0.000 0.411 1088 N N -0.504 118.267 118.700 0.118 0.000 2.058 1088 N HA -0.158 4.583 4.740 0.002 0.000 0.191 1088 N C 1.315 176.887 175.510 0.103 0.000 1.037 1088 N CA 1.801 54.955 53.050 0.175 0.000 0.848 1088 N CB 0.123 38.696 38.487 0.142 0.000 1.021 1088 N HN 0.238 nan 8.380 nan 0.000 0.422 1089 T N 0.423 115.014 114.554 0.062 0.000 2.881 1089 T HA -0.036 4.315 4.350 0.002 0.000 0.270 1089 T C 1.844 176.363 174.700 -0.302 0.000 1.068 1089 T CA 0.914 63.006 62.100 -0.013 0.000 1.131 1089 T CB -0.297 68.652 68.868 0.134 0.000 0.871 1089 T HN 0.407 nan 8.240 nan 0.000 0.479 1090 A N 0.937 123.530 122.820 -0.378 0.000 1.908 1090 A HA -0.071 4.250 4.320 0.002 0.000 0.218 1090 A C 2.537 179.897 177.584 -0.374 0.000 1.181 1090 A CA 1.463 53.051 52.037 -0.748 0.000 0.627 1090 A CB -0.866 17.676 19.000 -0.763 0.000 0.818 1090 A HN 0.387 nan 8.150 nan 0.000 0.445 1091 V N -0.159 119.606 119.914 -0.248 0.000 2.346 1091 V HA -0.182 3.939 4.120 0.002 0.000 0.244 1091 V C 2.372 178.296 176.094 -0.283 0.000 1.037 1091 V CA 2.051 64.182 62.300 -0.281 0.000 1.029 1091 V CB -0.610 30.832 31.823 -0.636 0.000 0.663 1091 V HN 0.509 nan 8.190 nan 0.000 0.454 1092 K N 1.140 121.424 120.400 -0.193 0.000 2.097 1092 K HA -0.153 4.168 4.320 0.002 0.000 0.206 1092 K C 2.262 178.781 176.600 -0.135 0.000 1.049 1092 K CA 1.772 58.002 56.287 -0.096 0.000 0.933 1092 K CB -0.375 32.139 32.500 0.023 0.000 0.717 1092 K HN 0.625 nan 8.250 nan 0.000 0.442 1093 S N -0.469 115.119 115.700 -0.187 0.000 2.507 1093 S HA -0.002 4.469 4.470 0.002 0.000 0.235 1093 S C 1.557 176.070 174.600 -0.145 0.000 0.988 1093 S CA 0.798 58.888 58.200 -0.184 0.000 0.944 1093 S CB -0.067 62.948 63.200 -0.308 0.000 0.762 1093 S HN 0.489 nan 8.310 nan 0.000 0.526 1094 G N 0.158 108.878 108.800 -0.133 0.000 2.176 1094 G HA2 -0.390 3.571 3.960 0.002 0.000 0.253 1094 G HA3 -0.390 3.571 3.960 0.002 0.000 0.253 1094 G C 0.373 175.289 174.900 0.028 0.000 0.979 1094 G CA 0.399 45.463 45.100 -0.060 0.000 0.641 1094 G HN 0.581 nan 8.290 nan 0.000 0.530 1095 Y N -0.355 119.841 120.300 -0.174 0.000 2.181 1095 Y HA 0.166 4.717 4.550 0.002 0.000 0.288 1095 Y C 1.327 177.259 175.900 0.053 0.000 1.146 1095 Y CA 2.038 60.070 58.100 -0.114 0.000 1.164 1095 Y CB 0.183 38.418 38.460 -0.375 0.000 0.982 1095 Y HN 0.357 nan 8.280 nan 0.000 0.515 1096 W N 4.612 125.838 121.300 -0.124 0.000 2.319 1096 W HA 0.311 4.971 4.660 0.001 0.000 0.288 1096 W C -3.000 173.455 176.519 -0.107 0.000 0.959 1096 W CA -2.170 55.094 57.345 -0.135 0.000 1.784 1096 W CB 0.875 30.244 29.460 -0.150 0.000 1.848 1096 W HN -0.023 nan 8.180 nan 0.000 0.408 1097 P HA 0.155 nan 4.420 nan 0.000 0.275 1097 P C -0.392 176.840 177.300 -0.113 0.000 1.227 1097 P CA 0.171 63.293 63.100 0.036 0.000 0.781 1097 P CB 1.979 33.819 31.700 0.233 0.000 0.906 1098 L N 4.121 125.310 121.223 -0.056 0.000 2.325 1098 L HA 0.578 4.919 4.340 0.002 0.000 0.279 1098 L C 0.319 177.158 176.870 -0.052 0.000 1.054 1098 L CA -0.590 54.166 54.840 -0.139 0.000 0.804 1098 L CB 0.222 42.303 42.059 0.037 0.000 1.200 1098 L HN 0.457 nan 8.230 nan 0.000 0.436 1099 F N 0.126 120.032 119.950 -0.073 0.000 2.773 1099 F HA 0.730 5.258 4.527 0.001 0.000 0.314 1099 F C -1.154 174.497 175.800 -0.249 0.000 1.160 1099 F CA -1.406 56.446 58.000 -0.248 0.000 0.920 1099 F CB 1.542 40.340 39.000 -0.336 0.000 1.323 1099 F HN 0.235 nan 8.300 nan 0.000 0.457 1100 R N 0.706 121.134 120.500 -0.119 0.000 2.621 1100 R HA 0.435 4.776 4.340 0.002 0.000 0.284 1100 R C -2.373 173.726 176.300 -0.336 0.000 0.998 1100 R CA -0.940 55.046 56.100 -0.189 0.000 0.895 1100 R CB 2.647 32.854 30.300 -0.154 0.000 1.195 1100 R HN 0.856 nan 8.270 nan 0.000 0.450 1101 Y N 2.402 122.426 120.300 -0.460 0.000 2.388 1101 Y HA 0.249 4.800 4.550 0.001 0.000 0.328 1101 Y C -1.005 174.504 175.900 -0.653 0.000 0.963 1101 Y CA -0.623 57.252 58.100 -0.375 0.000 1.240 1101 Y CB 1.058 39.411 38.460 -0.178 0.000 1.118 1101 Y HN 0.454 nan 8.280 nan 0.000 0.484 1102 D N 8.541 128.539 120.400 -0.670 0.000 2.460 1102 D HA 0.307 4.948 4.640 0.002 0.000 0.232 1102 D C -2.143 173.895 176.300 -0.436 0.000 1.079 1102 D CA -2.529 51.200 54.000 -0.451 0.000 0.864 1102 D CB 2.123 42.840 40.800 -0.139 0.000 1.048 1102 D HN 0.312 nan 8.370 nan 0.000 0.523 1103 P HA -0.175 nan 4.420 nan 0.000 0.217 1103 P C 1.262 178.429 177.300 -0.223 0.000 1.148 1103 P CA 1.175 64.041 63.100 -0.390 0.000 0.828 1103 P CB 0.115 31.445 31.700 -0.616 0.000 0.783 1104 R N -0.409 120.060 120.500 -0.053 0.000 2.189 1104 R HA -0.005 4.336 4.340 0.002 0.000 0.218 1104 R C 1.967 178.356 176.300 0.147 0.000 1.074 1104 R CA 0.983 57.249 56.100 0.276 0.000 0.991 1104 R CB -1.430 29.108 30.300 0.397 0.000 0.883 1104 R HN 0.247 nan 8.270 nan 0.000 0.457 1105 L N 1.051 122.268 121.223 -0.011 0.000 2.093 1105 L HA -0.057 4.284 4.340 0.002 0.000 0.208 1105 L C 2.783 179.604 176.870 -0.082 0.000 1.085 1105 L CA 1.273 56.069 54.840 -0.072 0.000 0.755 1105 L CB -0.566 41.378 42.059 -0.192 0.000 0.904 1105 L HN 0.319 nan 8.230 nan 0.000 0.435 1106 A N 0.014 122.772 122.820 -0.103 0.000 1.969 1106 A HA -0.112 4.209 4.320 0.002 0.000 0.218 1106 A C 2.461 180.163 177.584 0.196 0.000 1.169 1106 A CA 1.495 53.531 52.037 -0.001 0.000 0.635 1106 A CB -0.487 18.548 19.000 0.057 0.000 0.810 1106 A HN 0.401 nan 8.150 nan 0.000 0.445 1107 A N -0.775 122.186 122.820 0.234 0.000 2.067 1107 A HA -0.105 4.216 4.320 0.002 0.000 0.219 1107 A C 1.857 179.538 177.584 0.162 0.000 1.158 1107 A CA 1.302 53.483 52.037 0.240 0.000 0.661 1107 A CB -0.337 18.849 19.000 0.310 0.000 0.801 1107 A HN 0.650 nan 8.150 nan 0.000 0.452 1108 Q N -1.328 118.551 119.800 0.132 0.000 2.280 1108 Q HA 0.304 4.645 4.340 0.002 0.000 0.202 1108 Q C 0.948 177.012 176.000 0.108 0.000 0.903 1108 Q CA 0.249 56.111 55.803 0.098 0.000 0.948 1108 Q CB 0.203 28.982 28.738 0.069 0.000 1.058 1108 Q HN 0.783 nan 8.270 nan 0.000 0.493 1109 G N 1.482 110.382 108.800 0.168 0.000 2.153 1109 G HA2 -0.301 3.660 3.960 0.002 0.000 0.252 1109 G HA3 -0.301 3.660 3.960 0.002 0.000 0.252 1109 G C -0.092 174.972 174.900 0.274 0.000 0.994 1109 G CA 0.304 45.557 45.100 0.255 0.000 0.698 1109 G HN 0.239 nan 8.290 nan 0.000 0.521 1110 K N -0.415 120.018 120.400 0.054 0.000 2.185 1110 K HA 0.426 4.747 4.320 0.002 0.000 0.240 1110 K C -0.047 176.121 176.600 -0.720 0.000 0.983 1110 K CA -1.092 55.112 56.287 -0.138 0.000 0.873 1110 K CB 0.737 33.170 32.500 -0.112 0.000 1.118 1110 K HN 0.046 nan 8.250 nan 0.000 0.441 1111 N N 2.892 121.137 118.700 -0.758 0.000 2.452 1111 N HA 0.028 4.769 4.740 0.002 0.000 0.266 1111 N C -1.686 173.406 175.510 -0.696 0.000 1.175 1111 N CA -1.711 50.712 53.050 -1.046 0.000 0.945 1111 N CB 0.792 39.013 38.487 -0.443 0.000 1.063 1111 N HN 0.321 nan 8.380 nan 0.000 0.472 1112 P HA -0.095 nan 4.420 nan 0.000 0.221 1112 P C 0.247 177.132 177.300 -0.692 0.000 1.150 1112 P CA 0.642 63.284 63.100 -0.763 0.000 0.800 1112 P CB 0.112 31.157 31.700 -1.092 0.000 0.787 1113 F N 1.697 121.266 119.950 -0.634 0.000 2.420 1113 F HA 0.301 4.829 4.527 0.001 0.000 0.352 1113 F C 0.086 175.736 175.800 -0.250 0.000 1.108 1113 F CA -0.221 57.559 58.000 -0.368 0.000 1.162 1113 F CB 0.649 39.509 39.000 -0.233 0.000 1.118 1113 F HN -0.163 nan 8.300 nan 0.000 0.510 1114 Q N 6.138 125.367 119.800 -0.952 0.000 2.323 1114 Q HA 0.447 4.788 4.340 0.002 0.000 0.271 1114 Q C -1.369 174.222 176.000 -0.682 0.000 1.048 1114 Q CA -0.761 54.690 55.803 -0.586 0.000 0.792 1114 Q CB 2.797 31.344 28.738 -0.319 0.000 1.280 1114 Q HN 0.658 nan 8.270 nan 0.000 0.441 1115 L N 2.690 123.701 121.223 -0.354 0.000 2.265 1115 L HA 0.260 4.601 4.340 0.002 0.000 0.288 1115 L C -0.115 176.745 176.870 -0.016 0.000 1.058 1115 L CA -0.050 54.701 54.840 -0.148 0.000 0.809 1115 L CB 0.866 42.898 42.059 -0.045 0.000 1.179 1115 L HN 0.781 nan 8.230 nan 0.000 0.429 1116 D N 0.672 121.100 120.400 0.047 0.000 2.379 1116 D HA 0.054 4.695 4.640 0.002 0.000 0.208 1116 D C 0.637 177.061 176.300 0.207 0.000 1.065 1116 D CA 0.318 54.387 54.000 0.115 0.000 0.848 1116 D CB 0.702 41.575 40.800 0.122 0.000 0.949 1116 D HN 0.528 nan 8.370 nan 0.000 0.509 1117 S N -0.850 114.964 115.700 0.190 0.000 2.751 1117 S HA 0.635 5.106 4.470 0.002 0.000 0.310 1117 S C -0.082 174.694 174.600 0.294 0.000 1.128 1117 S CA -0.831 57.475 58.200 0.176 0.000 0.931 1117 S CB 2.632 65.787 63.200 -0.077 0.000 1.177 1117 S HN -0.219 nan 8.310 nan 0.000 0.530 1118 K N -0.051 120.471 120.400 0.203 0.000 2.245 1118 K HA 0.732 5.053 4.320 0.002 0.000 0.234 1118 K C -0.079 176.303 176.600 -0.365 0.000 1.021 1118 K CA -0.912 55.455 56.287 0.134 0.000 0.898 1118 K CB 1.189 33.725 32.500 0.061 0.000 1.163 1118 K HN 0.831 nan 8.250 nan 0.000 0.459 1119 A N 1.941 124.331 122.820 -0.717 0.000 2.561 1119 A HA 0.126 4.447 4.320 0.002 0.000 0.234 1119 A C -2.165 174.974 177.584 -0.742 0.000 1.055 1119 A CA -0.672 50.545 52.037 -1.366 0.000 0.756 1119 A CB -0.872 17.780 19.000 -0.580 0.000 0.986 1119 A HN 0.361 nan 8.150 nan 0.000 0.505 1120 P HA -0.051 nan 4.420 nan 0.000 0.259 1120 P C -0.104 177.072 177.300 -0.206 0.000 1.163 1120 P CA 0.785 63.695 63.100 -0.316 0.000 0.760 1120 P CB 0.432 32.004 31.700 -0.214 0.000 0.762 1121 D N 2.531 122.845 120.400 -0.144 0.000 2.340 1121 D HA 0.054 4.695 4.640 0.002 0.000 0.220 1121 D C 1.346 177.610 176.300 -0.059 0.000 1.039 1121 D CA 0.481 54.427 54.000 -0.089 0.000 0.866 1121 D CB -0.578 40.187 40.800 -0.058 0.000 0.913 1121 D HN 0.538 nan 8.370 nan 0.000 0.523 1122 G N 0.243 109.006 108.800 -0.061 0.000 2.176 1122 G HA2 -0.323 3.638 3.960 0.002 0.000 0.253 1122 G HA3 -0.323 3.638 3.960 0.002 0.000 0.253 1122 G C 0.909 175.797 174.900 -0.019 0.000 0.979 1122 G CA 0.586 45.665 45.100 -0.034 0.000 0.641 1122 G HN 0.705 nan 8.290 nan 0.000 0.530 1123 S N -0.729 114.958 115.700 -0.023 0.000 2.634 1123 S HA 0.395 4.866 4.470 0.002 0.000 0.221 1123 S C 1.908 176.518 174.600 0.018 0.000 0.952 1123 S CA 0.937 59.137 58.200 0.001 0.000 0.930 1123 S CB 1.080 64.284 63.200 0.007 0.000 0.780 1123 S HN 1.092 nan 8.310 nan 0.000 0.498 1124 V N 1.901 121.813 119.914 -0.003 0.000 2.392 1124 V HA -0.221 3.900 4.120 0.002 0.000 0.249 1124 V C 2.621 178.747 176.094 0.053 0.000 1.059 1124 V CA 2.688 65.000 62.300 0.019 0.000 1.051 1124 V CB -0.537 31.290 31.823 0.007 0.000 0.658 1124 V HN 0.658 nan 8.190 nan 0.000 0.455 1125 E N 0.446 120.658 120.200 0.020 0.000 2.077 1125 E HA -0.256 4.095 4.350 0.002 0.000 0.193 1125 E C 2.028 178.632 176.600 0.007 0.000 0.989 1125 E CA 2.215 58.615 56.400 0.000 0.000 0.800 1125 E CB -0.343 29.360 29.700 0.004 0.000 0.746 1125 E HN 0.783 nan 8.360 nan 0.000 0.452 1126 E N -0.700 119.520 120.200 0.033 0.000 2.106 1126 E HA -0.141 4.210 4.350 0.002 0.000 0.192 1126 E C 1.824 178.450 176.600 0.043 0.000 0.984 1126 E CA 0.914 57.334 56.400 0.034 0.000 0.806 1126 E CB -0.333 29.393 29.700 0.043 0.000 0.750 1126 E HN 0.309 nan 8.360 nan 0.000 0.458 1127 F N 1.817 121.713 119.950 -0.089 0.000 2.065 1127 F HA -0.243 4.285 4.527 0.001 0.000 0.298 1127 F C 1.817 177.536 175.800 -0.135 0.000 1.112 1127 F CA 1.551 59.476 58.000 -0.124 0.000 1.212 1127 F CB -0.256 38.629 39.000 -0.193 0.000 0.975 1127 F HN -0.094 nan 8.300 nan 0.000 0.476 1128 L N -0.603 120.467 121.223 -0.255 0.000 1.976 1128 L HA -0.256 4.085 4.340 0.002 0.000 0.209 1128 L C 2.525 179.335 176.870 -0.100 0.000 1.071 1128 L CA 1.191 55.771 54.840 -0.433 0.000 0.746 1128 L CB -0.865 40.818 42.059 -0.626 0.000 0.890 1128 L HN 0.163 nan 8.230 nan 0.000 0.432 1129 M N -0.097 119.466 119.600 -0.061 0.000 2.435 1129 M HA -0.120 4.361 4.480 0.002 0.000 0.262 1129 M C 2.125 178.419 176.300 -0.011 0.000 1.065 1129 M CA 1.257 56.559 55.300 0.003 0.000 1.076 1129 M CB -1.317 31.285 32.600 0.003 0.000 1.403 1129 M HN 0.305 nan 8.290 nan 0.000 0.454 1130 A N -0.409 122.375 122.820 -0.061 0.000 2.238 1130 A HA 0.050 4.371 4.320 0.002 0.000 0.208 1130 A C 0.678 178.215 177.584 -0.079 0.000 1.177 1130 A CA 0.198 52.197 52.037 -0.065 0.000 0.804 1130 A CB -0.111 18.844 19.000 -0.076 0.000 0.823 1130 A HN 0.524 nan 8.150 nan 0.000 0.482 1131 Q N -1.017 118.747 119.800 -0.060 0.000 2.340 1131 Q HA 0.260 4.601 4.340 0.002 0.000 0.268 1131 Q C 0.049 176.035 176.000 -0.024 0.000 1.031 1131 Q CA -0.613 55.157 55.803 -0.055 0.000 0.804 1131 Q CB 1.477 30.172 28.738 -0.071 0.000 1.286 1131 Q HN 0.330 nan 8.270 nan 0.000 0.448 1132 N N 1.817 120.482 118.700 -0.058 0.000 2.289 1132 N HA -0.186 4.555 4.740 0.002 0.000 0.184 1132 N C 1.489 176.937 175.510 -0.103 0.000 1.016 1132 N CA 1.401 54.419 53.050 -0.055 0.000 0.872 1132 N CB 0.246 38.700 38.487 -0.055 0.000 0.973 1132 N HN 0.542 nan 8.380 nan 0.000 0.433 1133 R N -1.323 119.047 120.500 -0.217 0.000 2.249 1133 R HA -0.103 4.238 4.340 0.002 0.000 0.230 1133 R C 1.049 177.072 176.300 -0.461 0.000 1.121 1133 R CA 1.308 57.185 56.100 -0.371 0.000 0.997 1133 R CB -0.534 29.452 30.300 -0.523 0.000 0.867 1133 R HN 0.294 nan 8.270 nan 0.000 0.465 1134 F N 0.342 120.265 119.950 -0.045 0.000 2.490 1134 F HA 0.355 4.883 4.527 0.002 0.000 0.280 1134 F C 2.731 178.522 175.800 -0.015 0.000 1.030 1134 F CA 0.194 58.177 58.000 -0.029 0.000 1.367 1134 F CB -0.173 38.796 39.000 -0.050 0.000 1.131 1134 F HN 0.047 nan 8.300 nan 0.000 0.632 1135 A N -0.031 122.883 122.820 0.156 0.000 1.908 1135 A HA -0.179 4.142 4.320 0.002 0.000 0.218 1135 A C 2.239 179.865 177.584 0.071 0.000 1.181 1135 A CA 1.849 53.941 52.037 0.092 0.000 0.627 1135 A CB -1.260 17.771 19.000 0.051 0.000 0.818 1135 A HN 0.239 nan 8.150 nan 0.000 0.445 1136 V N -0.548 119.392 119.914 0.044 0.000 2.568 1136 V HA -0.206 3.915 4.120 0.002 0.000 0.253 1136 V C 2.321 178.469 176.094 0.091 0.000 1.072 1136 V CA 2.224 64.551 62.300 0.044 0.000 1.084 1136 V CB -0.379 31.450 31.823 0.010 0.000 0.676 1136 V HN 0.559 nan 8.190 nan 0.000 0.469 1137 L N 0.299 121.582 121.223 0.100 0.000 2.109 1137 L HA -0.066 4.275 4.340 0.002 0.000 0.207 1137 L C 2.087 179.066 176.870 0.181 0.000 1.086 1137 L CA 2.523 57.452 54.840 0.149 0.000 0.760 1137 L CB -0.776 41.339 42.059 0.093 0.000 0.910 1137 L HN 0.472 nan 8.230 nan 0.000 0.437 1138 D N -0.812 119.668 120.400 0.133 0.000 2.144 1138 D HA -0.188 4.453 4.640 0.002 0.000 0.199 1138 D C 2.186 178.544 176.300 0.097 0.000 0.984 1138 D CA 1.225 55.292 54.000 0.112 0.000 0.834 1138 D CB 0.109 40.960 40.800 0.085 0.000 0.955 1138 D HN 0.282 nan 8.370 nan 0.000 0.465 1139 R N -0.596 119.955 120.500 0.086 0.000 2.193 1139 R HA 0.123 4.464 4.340 0.002 0.000 0.213 1139 R C 1.966 178.295 176.300 0.049 0.000 1.055 1139 R CA 0.790 56.923 56.100 0.055 0.000 0.995 1139 R CB 0.169 30.492 30.300 0.039 0.000 0.893 1139 R HN 0.076 nan 8.270 nan 0.000 0.459 1140 S N -0.263 115.502 115.700 0.108 0.000 2.506 1140 S HA 0.155 4.626 4.470 0.002 0.000 0.230 1140 S C 0.040 174.586 174.600 -0.089 0.000 1.066 1140 S CA 0.397 58.620 58.200 0.039 0.000 0.940 1140 S CB 0.402 63.715 63.200 0.190 0.000 0.818 1140 S HN 0.086 nan 8.310 nan 0.000 0.518 1141 F N 1.866 121.830 119.950 0.023 0.000 2.564 1141 F HA 0.384 4.911 4.527 0.001 0.000 0.329 1141 F C -1.934 173.884 175.800 0.031 0.000 1.458 1141 F CA -2.491 55.525 58.000 0.027 0.000 1.117 1141 F CB 0.904 39.923 39.000 0.033 0.000 1.383 1141 F HN 0.000 nan 8.300 nan 0.000 0.571 1142 P HA -0.254 nan 4.420 nan 0.000 0.218 1142 P C 1.137 178.499 177.300 0.103 0.000 1.154 1142 P CA 1.868 65.032 63.100 0.107 0.000 0.872 1142 P CB 0.502 32.238 31.700 0.061 0.000 0.790 1143 E N -0.546 119.717 120.200 0.105 0.000 2.047 1143 E HA -0.159 4.192 4.350 0.002 0.000 0.191 1143 E C 1.907 178.565 176.600 0.096 0.000 0.987 1143 E CA 1.095 57.547 56.400 0.087 0.000 0.799 1143 E CB -0.343 29.404 29.700 0.078 0.000 0.752 1143 E HN 0.226 nan 8.360 nan 0.000 0.449 1144 D N 0.314 120.794 120.400 0.134 0.000 2.117 1144 D HA -0.098 4.543 4.640 0.002 0.000 0.198 1144 D C 1.843 178.195 176.300 0.085 0.000 0.982 1144 D CA 1.164 55.226 54.000 0.104 0.000 0.828 1144 D CB -0.262 40.601 40.800 0.105 0.000 0.967 1144 D HN 0.137 nan 8.370 nan 0.000 0.464 1145 A N 1.212 124.098 122.820 0.110 0.000 1.865 1145 A HA -0.250 4.071 4.320 0.002 0.000 0.217 1145 A C 2.072 179.704 177.584 0.080 0.000 1.191 1145 A CA 2.011 54.109 52.037 0.101 0.000 0.623 1145 A CB -0.616 18.458 19.000 0.123 0.000 0.826 1145 A HN 0.181 nan 8.150 nan 0.000 0.444 1146 K N -0.633 119.810 120.400 0.071 0.000 2.074 1146 K HA -0.214 4.107 4.320 0.002 0.000 0.209 1146 K C 2.335 178.963 176.600 0.046 0.000 1.048 1146 K CA 1.730 58.048 56.287 0.052 0.000 0.926 1146 K CB -0.215 32.313 32.500 0.047 0.000 0.713 1146 K HN 0.443 nan 8.250 nan 0.000 0.444 1147 R N 0.262 120.792 120.500 0.050 0.000 2.066 1147 R HA -0.052 4.289 4.340 0.002 0.000 0.232 1147 R C 2.438 178.767 176.300 0.049 0.000 1.131 1147 R CA 1.412 57.538 56.100 0.043 0.000 0.955 1147 R CB -0.178 30.149 30.300 0.044 0.000 0.851 1147 R HN 0.217 nan 8.270 nan 0.000 0.432 1148 L N -0.189 121.069 121.223 0.059 0.000 2.156 1148 L HA -0.098 4.243 4.340 0.002 0.000 0.208 1148 L C 2.510 179.422 176.870 0.069 0.000 1.095 1148 L CA 1.114 55.997 54.840 0.072 0.000 0.770 1148 L CB -0.281 41.830 42.059 0.086 0.000 0.914 1148 L HN 0.113 nan 8.230 nan 0.000 0.439 1149 R N 0.005 120.534 120.500 0.049 0.000 2.115 1149 R HA -0.054 4.287 4.340 0.002 0.000 0.230 1149 R C 2.366 178.680 176.300 0.024 0.000 1.111 1149 R CA 1.169 57.272 56.100 0.005 0.000 0.976 1149 R CB -0.351 29.939 30.300 -0.016 0.000 0.870 1149 R HN 0.334 nan 8.270 nan 0.000 0.445 1150 A N 0.801 123.644 122.820 0.038 0.000 1.968 1150 A HA -0.172 4.149 4.320 0.002 0.000 0.217 1150 A C 2.053 179.683 177.584 0.077 0.000 1.169 1150 A CA 0.879 52.943 52.037 0.046 0.000 0.638 1150 A CB -0.283 18.736 19.000 0.032 0.000 0.812 1150 A HN 0.293 nan 8.150 nan 0.000 0.446 1151 Q N -0.278 119.568 119.800 0.078 0.000 2.079 1151 Q HA -0.114 4.227 4.340 0.002 0.000 0.200 1151 Q C 1.982 178.057 176.000 0.124 0.000 0.974 1151 Q CA 1.735 57.602 55.803 0.108 0.000 0.840 1151 Q CB -0.184 28.607 28.738 0.088 0.000 0.898 1151 Q HN 0.405 nan 8.270 nan 0.000 0.430 1152 V N 0.962 120.936 119.914 0.101 0.000 2.255 1152 V HA -0.328 3.793 4.120 0.002 0.000 0.247 1152 V C 2.370 178.524 176.094 0.100 0.000 1.051 1152 V CA 1.965 64.331 62.300 0.109 0.000 1.018 1152 V CB -1.112 30.775 31.823 0.106 0.000 0.641 1152 V HN 0.544 nan 8.190 nan 0.000 0.445 1153 A N -1.196 121.677 122.820 0.088 0.000 1.917 1153 A HA -0.336 3.985 4.320 0.002 0.000 0.219 1153 A C 2.250 179.890 177.584 0.093 0.000 1.182 1153 A CA 2.332 54.416 52.037 0.078 0.000 0.633 1153 A CB -0.927 18.111 19.000 0.063 0.000 0.819 1153 A HN 0.762 nan 8.150 nan 0.000 0.448 1154 H N -0.469 118.617 119.070 0.027 0.000 2.363 1154 H HA -0.052 4.505 4.556 0.001 0.000 0.301 1154 H C 1.972 177.315 175.328 0.026 0.000 1.074 1154 H CA 1.510 57.572 56.048 0.023 0.000 1.354 1154 H CB 0.073 29.847 29.762 0.019 0.000 1.397 1154 H HN 0.666 nan 8.280 nan 0.000 0.516 1155 E N 0.586 120.763 120.200 -0.038 0.000 2.058 1155 E HA -0.196 4.155 4.350 0.002 0.000 0.194 1155 E C 2.467 179.013 176.600 -0.090 0.000 0.997 1155 E CA 1.596 57.947 56.400 -0.082 0.000 0.801 1155 E CB -0.105 29.599 29.700 0.005 0.000 0.746 1155 E HN 0.472 nan 8.360 nan 0.000 0.450 1156 L N -0.102 121.101 121.223 -0.032 0.000 2.156 1156 L HA -0.017 4.324 4.340 0.002 0.000 0.208 1156 L C 1.924 178.798 176.870 0.007 0.000 1.095 1156 L CA 1.954 56.789 54.840 -0.007 0.000 0.770 1156 L CB -0.598 41.478 42.059 0.028 0.000 0.914 1156 L HN -0.094 nan 8.230 nan 0.000 0.439 1157 D N 0.567 120.944 120.400 -0.038 0.000 2.092 1157 D HA -0.187 4.454 4.640 0.002 0.000 0.193 1157 D C 1.981 178.257 176.300 -0.039 0.000 0.994 1157 D CA 1.871 55.854 54.000 -0.028 0.000 0.828 1157 D CB -0.018 40.754 40.800 -0.047 0.000 0.963 1157 D HN 0.147 nan 8.370 nan 0.000 0.450 1158 V N 0.225 120.036 119.914 -0.171 0.000 2.295 1158 V HA -0.214 3.907 4.120 0.002 0.000 0.246 1158 V C 2.617 178.665 176.094 -0.077 0.000 1.049 1158 V CA 2.058 64.267 62.300 -0.152 0.000 1.024 1158 V CB -0.699 30.974 31.823 -0.250 0.000 0.648 1158 V HN 0.213 nan 8.190 nan 0.000 0.447 1159 R N -0.534 119.923 120.500 -0.071 0.000 2.080 1159 R HA -0.215 4.126 4.340 0.002 0.000 0.236 1159 R C 2.249 178.515 176.300 -0.057 0.000 1.137 1159 R CA 2.140 58.195 56.100 -0.075 0.000 0.943 1159 R CB -0.517 29.741 30.300 -0.069 0.000 0.846 1159 R HN 0.434 nan 8.270 nan 0.000 0.431 1160 F N 1.491 121.396 119.950 -0.075 0.000 2.126 1160 F HA -0.215 4.314 4.527 0.003 0.000 0.299 1160 F C 1.945 177.723 175.800 -0.038 0.000 1.096 1160 F CA 1.857 59.832 58.000 -0.042 0.000 1.255 1160 F CB 0.010 38.993 39.000 -0.028 0.000 0.997 1160 F HN -0.012 nan 8.300 nan 0.000 0.479 1161 K N -0.031 120.450 120.400 0.136 0.000 2.097 1161 K HA -0.194 4.127 4.320 0.002 0.000 0.206 1161 K C 1.916 178.494 176.600 -0.036 0.000 1.049 1161 K CA 1.839 58.170 56.287 0.074 0.000 0.933 1161 K CB -0.255 32.278 32.500 0.056 0.000 0.717 1161 K HN 0.436 nan 8.250 nan 0.000 0.442 1162 E N 0.680 120.824 120.200 -0.094 0.000 2.107 1162 E HA -0.121 4.230 4.350 0.002 0.000 0.191 1162 E C 2.026 178.475 176.600 -0.252 0.000 0.982 1162 E CA 0.710 57.032 56.400 -0.130 0.000 0.809 1162 E CB -0.023 29.585 29.700 -0.154 0.000 0.756 1162 E HN 0.268 nan 8.360 nan 0.000 0.459 1163 L N 0.975 121.985 121.223 -0.356 0.000 2.141 1163 L HA -0.147 4.194 4.340 0.002 0.000 0.209 1163 L C 2.286 178.964 176.870 -0.320 0.000 1.094 1163 L CA 1.032 55.584 54.840 -0.481 0.000 0.763 1163 L CB -0.315 41.463 42.059 -0.469 0.000 0.908 1163 L HN 0.114 nan 8.230 nan 0.000 0.437 1164 E N -0.734 119.301 120.200 -0.276 0.000 2.106 1164 E HA -0.261 4.090 4.350 0.002 0.000 0.192 1164 E C 2.021 178.593 176.600 -0.046 0.000 0.984 1164 E CA 1.216 57.546 56.400 -0.116 0.000 0.806 1164 E CB -0.071 29.623 29.700 -0.010 0.000 0.750 1164 E HN 0.496 nan 8.360 nan 0.000 0.458 1165 H N 0.724 119.720 119.070 -0.123 0.000 2.326 1165 H HA -0.018 4.538 4.556 0.001 0.000 0.301 1165 H C 2.012 177.267 175.328 -0.121 0.000 1.081 1165 H CA 1.677 57.666 56.048 -0.099 0.000 1.334 1165 H CB -0.187 29.511 29.762 -0.108 0.000 1.385 1165 H HN 0.010 nan 8.280 nan 0.000 0.504 1166 M N -0.134 119.098 119.600 -0.614 0.000 2.108 1166 M HA -0.214 4.267 4.480 0.002 0.000 0.257 1166 M C 2.460 178.558 176.300 -0.336 0.000 1.071 1166 M CA 1.855 56.737 55.300 -0.698 0.000 1.093 1166 M CB -0.302 31.662 32.600 -1.060 0.000 1.345 1166 M HN 0.538 nan 8.290 nan 0.000 0.403 1167 A N -0.562 122.209 122.820 -0.082 0.000 2.014 1167 A HA 0.093 4.414 4.320 0.002 0.000 0.218 1167 A C 2.052 179.639 177.584 0.004 0.000 1.163 1167 A CA 1.608 53.717 52.037 0.119 0.000 0.652 1167 A CB -0.546 18.541 19.000 0.146 0.000 0.808 1167 A HN 0.533 nan 8.150 nan 0.000 0.449 1168 A N -1.494 121.301 122.820 -0.041 0.000 2.308 1168 A HA 0.342 4.663 4.320 0.002 0.000 0.217 1168 A C 1.217 178.812 177.584 0.019 0.000 1.216 1168 A CA 0.756 52.800 52.037 0.012 0.000 0.864 1168 A CB -0.473 18.560 19.000 0.055 0.000 0.902 1168 A HN 0.330 nan 8.150 nan 0.000 0.499 1169 T N 0.958 115.464 114.554 -0.081 0.000 2.898 1169 T HA 0.251 4.602 4.350 0.002 0.000 0.301 1169 T C 0.759 175.542 174.700 0.138 0.000 1.049 1169 T CA 0.387 62.482 62.100 -0.009 0.000 1.095 1169 T CB 0.207 68.961 68.868 -0.189 0.000 0.976 1169 T HN 0.563 nan 8.240 nan 0.000 0.539 1170 N N 2.524 121.302 118.700 0.129 0.000 2.282 1170 N HA 0.240 4.981 4.740 0.002 0.000 0.240 1170 N C -0.645 174.768 175.510 -0.161 0.000 1.182 1170 N CA -0.242 52.885 53.050 0.129 0.000 0.874 1170 N CB -0.070 38.448 38.487 0.051 0.000 1.126 1170 N HN 0.457 nan 8.380 nan 0.000 0.516 1171 I N 1.468 122.010 120.570 -0.046 0.000 2.354 1171 I HA 0.490 4.661 4.170 0.002 0.000 0.286 1171 I C -1.190 174.924 176.117 -0.004 0.000 1.007 1171 I CA -1.059 60.143 61.300 -0.163 0.000 1.167 1171 I CB 0.240 38.220 38.000 -0.034 0.000 1.320 1171 I HN 0.014 nan 8.210 nan 0.000 0.458 1172 F N 2.789 122.743 119.950 0.007 0.000 2.741 1172 F HA 0.612 5.140 4.527 0.002 0.000 0.311 1172 F C -0.811 175.016 175.800 0.046 0.000 1.149 1172 F CA -1.061 56.953 58.000 0.024 0.000 0.930 1172 F CB 1.188 40.190 39.000 0.003 0.000 1.312 1172 F HN 0.244 nan 8.300 nan 0.000 0.450 1173 E N 0.640 121.025 120.200 0.308 0.000 2.243 1173 E HA 0.621 4.972 4.350 0.002 0.000 0.260 1173 E C -0.464 176.310 176.600 0.290 0.000 0.985 1173 E CA -0.833 55.703 56.400 0.227 0.000 0.858 1173 E CB 1.921 31.731 29.700 0.182 0.000 1.210 1173 E HN 0.737 nan 8.360 nan 0.000 0.411 1174 S N 0.600 116.439 115.700 0.232 0.000 2.658 1174 S HA 0.189 4.660 4.470 0.002 0.000 0.249 1174 S C -0.551 174.270 174.600 0.369 0.000 1.363 1174 S CA -0.010 58.340 58.200 0.250 0.000 0.964 1174 S CB 0.182 63.478 63.200 0.160 0.000 0.973 1174 S HN 0.435 nan 8.310 nan 0.000 0.588 1175 F N -0.674 119.360 119.950 0.140 0.000 2.690 1175 F HA 0.545 5.074 4.527 0.002 0.000 0.311 1175 F C -1.607 174.251 175.800 0.097 0.000 1.111 1175 F CA -0.689 57.402 58.000 0.153 0.000 1.003 1175 F CB 0.499 39.623 39.000 0.206 0.000 1.283 1175 F HN 0.706 nan 8.300 nan 0.000 0.442 1176 A N 6.011 128.306 122.820 -0.875 0.000 2.480 1176 A HA 0.630 4.951 4.320 0.002 0.000 0.289 1176 A C -2.558 174.564 177.584 -0.769 0.000 1.044 1176 A CA -1.061 50.490 52.037 -0.809 0.000 0.761 1176 A CB 1.026 19.828 19.000 -0.329 0.000 1.289 1176 A HN 0.537 nan 8.150 nan 0.000 0.401 1177 P HA 0.040 nan 4.420 nan 0.000 0.216 1177 P C 0.728 177.888 177.300 -0.232 0.000 1.154 1177 P CA 2.496 65.377 63.100 -0.365 0.000 0.865 1177 P CB 0.276 31.812 31.700 -0.273 0.000 0.789 1178 A N -3.665 119.026 122.820 -0.216 0.000 2.645 1178 A HA 0.570 4.891 4.320 0.002 0.000 0.291 1178 A C -0.655 176.852 177.584 -0.128 0.000 1.030 1178 A CA -0.165 51.777 52.037 -0.159 0.000 0.566 1178 A CB 0.018 18.934 19.000 -0.139 0.000 1.527 1178 A HN 0.488 nan 8.150 nan 0.000 0.684 1179 G N -2.787 105.955 108.800 -0.098 0.000 2.587 1179 G HA2 0.614 4.575 3.960 0.002 0.000 0.686 1179 G HA3 0.614 4.575 3.960 0.002 0.000 0.686 1179 G C 0.633 175.495 174.900 -0.063 0.000 1.236 1179 G CA 0.986 46.042 45.100 -0.074 0.000 0.820 1179 G HN 3.041 nan 8.290 nan 0.000 0.645 1180 G N 1.696 110.468 108.800 -0.046 0.000 2.780 1180 G HA2 0.065 4.027 3.960 0.002 0.000 0.237 1180 G HA3 0.065 4.027 3.960 0.002 0.000 0.237 1180 G C 1.587 176.469 174.900 -0.029 0.000 1.965 1180 G CA 1.527 46.604 45.100 -0.037 0.000 1.577 1180 G HN 2.403 nan 8.290 nan 0.000 0.543 1181 K N 1.000 121.382 120.400 -0.030 0.000 2.324 1181 K HA -0.001 4.320 4.320 0.002 0.000 0.215 1181 K C 1.481 178.073 176.600 -0.014 0.000 0.924 1181 K CA 2.942 59.216 56.287 -0.022 0.000 0.953 1181 K CB -1.758 30.727 32.500 -0.025 0.000 1.058 1181 K HN 2.652 nan 8.250 nan 0.000 0.504 1182 A N 0.454 123.266 122.820 -0.013 0.000 2.435 1182 A HA -0.131 4.190 4.320 0.002 0.000 0.686 1182 A C -0.538 177.043 177.584 -0.004 0.000 0.139 1182 A CA 0.347 52.380 52.037 -0.008 0.000 0.032 1182 A CB -1.468 17.526 19.000 -0.009 0.000 3.974 1182 A HN 0.599 nan 8.150 nan 0.000 0.548 1183 D N 0.307 120.707 120.400 -0.001 0.000 2.629 1183 D HA 0.463 5.104 4.640 0.002 0.000 0.228 1183 D C 0.852 177.151 176.300 -0.001 0.000 1.127 1183 D CA 2.814 56.815 54.000 0.001 0.000 0.855 1183 D CB 0.322 41.123 40.800 0.001 0.000 1.180 1183 D HN 2.124 nan 8.370 nan 0.000 0.484 1184 G N 0.541 109.341 108.800 0.000 0.000 2.576 1184 G HA2 0.368 4.329 3.960 0.002 0.000 0.686 1184 G HA3 0.368 4.329 3.960 0.002 0.000 0.686 1184 G C -0.678 174.222 174.900 0.002 0.000 1.242 1184 G CA -0.398 44.702 45.100 -0.000 0.000 0.819 1184 G HN 0.979 nan 8.290 nan 0.000 0.655 1185 S N -1.635 114.066 115.700 0.002 0.000 2.638 1185 S HA 0.924 5.395 4.470 0.002 0.000 0.274 1185 S C -1.179 173.424 174.600 0.005 0.000 1.157 1185 S CA -0.065 58.139 58.200 0.007 0.000 0.826 1185 S CB 2.169 65.375 63.200 0.010 0.000 1.139 1185 S HN 2.421 nan 8.310 nan 0.000 0.474 1186 V N 0.826 120.747 119.914 0.011 0.000 2.932 1186 V HA 0.556 4.677 4.120 0.002 0.000 0.307 1186 V C -1.622 174.476 176.094 0.007 0.000 1.147 1186 V CA -0.576 61.726 62.300 0.003 0.000 0.951 1186 V CB 1.996 33.822 31.823 0.006 0.000 1.031 1186 V HN 1.167 nan 8.190 nan 0.000 0.426 1187 D N 3.251 123.627 120.400 -0.040 0.000 2.389 1187 D HA 0.205 4.846 4.640 0.002 0.000 0.247 1187 D C 1.036 177.276 176.300 -0.099 0.000 1.128 1187 D CA 0.194 54.128 54.000 -0.111 0.000 0.884 1187 D CB 0.855 41.523 40.800 -0.221 0.000 1.194 1187 D HN 0.504 nan 8.370 nan 0.000 0.441 1188 F N 1.227 121.179 119.950 0.003 0.000 2.494 1188 F HA 0.176 4.705 4.527 0.002 0.000 0.298 1188 F C 1.685 177.491 175.800 0.010 0.000 1.106 1188 F CA 0.486 58.489 58.000 0.005 0.000 1.452 1188 F CB -0.463 38.540 39.000 0.004 0.000 1.085 1188 F HN 0.291 nan 8.300 nan 0.000 0.569 1189 G N -0.320 108.199 108.800 -0.469 0.000 2.986 1189 G HA2 -0.050 3.911 3.960 0.002 0.000 0.213 1189 G HA3 -0.050 3.911 3.960 0.002 0.000 0.213 1189 G C -0.015 174.811 174.900 -0.123 0.000 1.156 1189 G CA -0.193 44.754 45.100 -0.256 0.000 0.763 1189 G HN 0.249 nan 8.290 nan 0.000 0.547 1190 E N 1.316 121.447 120.200 -0.117 0.000 2.614 1190 E HA 0.308 4.659 4.350 0.002 0.000 0.245 1190 E C 1.327 177.911 176.600 -0.027 0.000 1.039 1190 E CA 0.332 56.692 56.400 -0.066 0.000 0.948 1190 E CB -0.530 29.139 29.700 -0.051 0.000 0.937 1190 E HN 0.455 nan 8.360 nan 0.000 0.498 1191 G N 3.167 111.950 108.800 -0.028 0.000 2.249 1191 G HA2 -0.217 3.744 3.960 0.002 0.000 0.273 1191 G HA3 -0.217 3.744 3.960 0.002 0.000 0.273 1191 G C 0.345 175.248 174.900 0.005 0.000 1.036 1191 G CA 0.256 45.347 45.100 -0.014 0.000 0.824 1191 G HN 0.868 nan 8.290 nan 0.000 0.504 1192 A N -0.979 121.851 122.820 0.017 0.000 2.322 1192 A HA 0.752 5.073 4.320 0.002 0.000 0.269 1192 A C 1.108 178.719 177.584 0.045 0.000 1.094 1192 A CA 0.581 52.654 52.037 0.059 0.000 0.807 1192 A CB 0.509 19.564 19.000 0.092 0.000 1.047 1192 A HN 0.322 nan 8.150 nan 0.000 0.487 1193 E N 0.087 120.341 120.200 0.089 0.000 2.216 1193 E HA 0.129 4.480 4.350 0.002 0.000 0.192 1193 E C -0.707 175.754 176.600 -0.231 0.000 0.988 1193 E CA 1.007 57.380 56.400 -0.046 0.000 0.834 1193 E CB -0.055 29.648 29.700 0.005 0.000 0.772 1193 E HN 0.579 nan 8.360 nan 0.000 0.479 1194 F N -1.017 118.940 119.950 0.011 0.000 2.593 1194 F HA 0.339 4.867 4.527 0.002 0.000 0.320 1194 F C 0.077 175.888 175.800 0.017 0.000 1.060 1194 F CA -1.852 56.156 58.000 0.012 0.000 0.940 1194 F CB 0.796 39.805 39.000 0.015 0.000 1.268 1194 F HN -0.267 nan 8.300 nan 0.000 0.475 1195 c N 1.212 119.933 118.600 0.202 0.000 2.550 1195 c HA 0.213 4.784 4.570 0.002 0.000 0.406 1195 c C 1.601 175.776 174.090 0.141 0.000 1.366 1195 c CA 0.439 56.843 56.329 0.124 0.000 1.712 1195 c CB -0.601 41.968 42.510 0.098 0.000 2.613 1195 c HN 0.958 nan 8.230 nan 0.000 0.608 1196 T N -0.608 114.020 114.554 0.123 0.000 3.044 1196 T HA 0.230 4.581 4.350 0.002 0.000 0.260 1196 T C 0.425 175.257 174.700 0.221 0.000 1.019 1196 T CA -0.043 62.174 62.100 0.196 0.000 0.921 1196 T CB 0.237 69.253 68.868 0.246 0.000 1.053 1196 T HN 0.745 nan 8.240 nan 0.000 0.533 1197 R N 1.482 122.060 120.500 0.130 0.000 2.867 1197 R HA 0.590 4.931 4.340 0.002 0.000 0.268 1197 R C -1.176 175.168 176.300 0.073 0.000 1.014 1197 R CA -0.840 55.328 56.100 0.113 0.000 0.946 1197 R CB 1.335 31.681 30.300 0.078 0.000 1.208 1197 R HN 0.304 nan 8.270 nan 0.000 0.477 1198 D N -1.029 119.406 120.400 0.059 0.000 2.564 1198 D HA 0.108 4.749 4.640 0.002 0.000 0.273 1198 D C -0.105 176.213 176.300 0.030 0.000 1.192 1198 D CA -0.536 53.489 54.000 0.041 0.000 1.080 1198 D CB 0.423 41.243 40.800 0.034 0.000 1.160 1198 D HN 0.271 nan 8.370 nan 0.000 0.607 1199 D N -1.092 119.322 120.400 0.024 0.000 2.325 1199 D HA 0.084 4.725 4.640 0.002 0.000 0.234 1199 D C -0.113 176.195 176.300 0.014 0.000 1.122 1199 D CA 0.237 54.248 54.000 0.017 0.000 0.850 1199 D CB -0.244 40.566 40.800 0.016 0.000 0.921 1199 D HN 0.232 nan 8.370 nan 0.000 0.513 1200 T N 1.684 116.247 114.554 0.015 0.000 2.909 1200 T HA 0.165 4.516 4.350 0.002 0.000 0.289 1200 T C -1.340 173.365 174.700 0.007 0.000 1.005 1200 T CA -1.249 60.857 62.100 0.011 0.000 1.084 1200 T CB 2.054 70.929 68.868 0.012 0.000 0.975 1200 T HN -0.021 nan 8.240 nan 0.000 0.509 1201 P HA 0.053 nan 4.420 nan 0.000 0.233 1201 P C 1.251 178.549 177.300 -0.003 0.000 1.167 1201 P CA 0.734 63.832 63.100 -0.003 0.000 0.770 1201 P CB 0.125 31.820 31.700 -0.009 0.000 0.837 1202 M N -1.248 118.352 119.600 -0.001 0.000 2.200 1202 M HA 0.019 4.500 4.480 0.002 0.000 0.265 1202 M C 2.183 178.491 176.300 0.013 0.000 1.066 1202 M CA 1.664 56.964 55.300 0.001 0.000 1.127 1202 M CB -0.505 32.094 32.600 -0.001 0.000 1.379 1202 M HN -0.150 nan 8.290 nan 0.000 0.420 1203 M N -0.188 119.425 119.600 0.022 0.000 2.495 1203 M HA 0.195 4.676 4.480 0.002 0.000 0.237 1203 M C 0.579 176.896 176.300 0.028 0.000 1.131 1203 M CA -0.305 55.018 55.300 0.040 0.000 1.032 1203 M CB -0.118 32.516 32.600 0.056 0.000 1.513 1203 M HN 0.116 nan 8.290 nan 0.000 0.488 1204 A N 2.041 124.870 122.820 0.014 0.000 2.511 1204 A HA 0.363 4.684 4.320 0.002 0.000 0.242 1204 A C 0.207 177.792 177.584 0.002 0.000 1.069 1204 A CA 0.347 52.387 52.037 0.005 0.000 0.763 1204 A CB 0.308 19.308 19.000 -0.000 0.000 1.001 1204 A HN 0.339 nan 8.150 nan 0.000 0.498 1205 R N 1.550 122.046 120.500 -0.005 0.000 2.739 1205 R HA 0.355 4.696 4.340 0.002 0.000 0.271 1205 R C -2.394 173.897 176.300 -0.016 0.000 1.010 1205 R CA -1.809 54.285 56.100 -0.010 0.000 0.897 1205 R CB 0.387 30.678 30.300 -0.014 0.000 1.236 1205 R HN 0.375 nan 8.270 nan 0.000 0.466 1206 P HA -0.156 nan 4.420 nan 0.000 0.216 1206 P C 0.192 177.479 177.300 -0.022 0.000 1.157 1206 P CA 1.407 64.496 63.100 -0.017 0.000 0.880 1206 P CB 0.297 31.987 31.700 -0.016 0.000 0.791 1207 D N -1.343 119.040 120.400 -0.029 0.000 2.328 1207 D HA 0.030 4.671 4.640 0.002 0.000 0.226 1207 D C 0.661 176.937 176.300 -0.040 0.000 1.066 1207 D CA 0.396 54.374 54.000 -0.036 0.000 0.861 1207 D CB -0.148 40.625 40.800 -0.045 0.000 0.912 1207 D HN 0.283 nan 8.370 nan 0.000 0.521 1208 S N -1.664 114.015 115.700 -0.035 0.000 2.713 1208 S HA 0.627 5.098 4.470 0.002 0.000 0.283 1208 S C 1.180 175.767 174.600 -0.023 0.000 1.161 1208 S CA 0.046 58.226 58.200 -0.033 0.000 0.999 1208 S CB 2.451 65.634 63.200 -0.029 0.000 1.039 1208 S HN 0.165 nan 8.310 nan 0.000 0.548 1209 G N -0.350 108.439 108.800 -0.019 0.000 2.318 1209 G HA2 -0.162 3.799 3.960 0.002 0.000 0.172 1209 G HA3 -0.162 3.799 3.960 0.002 0.000 0.172 1209 G C -0.224 174.667 174.900 -0.015 0.000 1.002 1209 G CA -0.086 45.005 45.100 -0.014 0.000 0.697 1209 G HN 0.981 nan 8.290 nan 0.000 0.483 1210 E N 1.353 121.541 120.200 -0.021 0.000 2.316 1210 E HA 0.613 4.964 4.350 0.002 0.000 0.275 1210 E C 1.021 177.609 176.600 -0.020 0.000 1.029 1210 E CA 0.011 56.398 56.400 -0.022 0.000 0.871 1210 E CB 0.765 30.448 29.700 -0.029 0.000 1.022 1210 E HN 0.776 nan 8.360 nan 0.000 0.418 1211 A N 3.544 126.352 122.820 -0.019 0.000 2.586 1211 A HA 0.233 4.554 4.320 0.002 0.000 0.231 1211 A C 0.061 177.630 177.584 -0.026 0.000 1.055 1211 A CA 0.287 52.313 52.037 -0.019 0.000 0.756 1211 A CB -0.528 18.459 19.000 -0.021 0.000 0.988 1211 A HN 0.881 nan 8.150 nan 0.000 0.509 1212 c N -0.234 118.352 118.600 -0.023 0.000 3.295 1212 c HA 0.614 5.185 4.570 0.002 0.000 0.341 1212 c C -0.707 173.366 174.090 -0.029 0.000 1.418 1212 c CA -0.987 55.321 56.329 -0.035 0.000 1.240 1212 c CB 1.115 43.619 42.510 -0.011 0.000 1.562 1212 c HN 0.840 nan 8.230 nan 0.000 0.457 1213 D N 0.956 121.313 120.400 -0.071 0.000 2.352 1213 D HA 0.096 4.737 4.640 0.002 0.000 0.245 1213 D C 0.395 176.784 176.300 0.150 0.000 1.224 1213 D CA 0.705 54.681 54.000 -0.039 0.000 0.879 1213 D CB 1.008 41.607 40.800 -0.336 0.000 1.057 1213 D HN 0.724 nan 8.370 nan 0.000 0.491 1214 Q N 3.218 123.092 119.800 0.124 0.000 2.329 1214 Q HA 0.006 4.347 4.340 0.002 0.000 0.208 1214 Q C -0.117 175.970 176.000 0.145 0.000 0.934 1214 Q CA -0.046 55.834 55.803 0.127 0.000 0.951 1214 Q CB -0.105 28.676 28.738 0.071 0.000 1.017 1214 Q HN 0.499 nan 8.270 nan 0.000 0.490 1215 N N 0.212 119.056 118.700 0.239 0.000 2.741 1215 N HA -0.219 4.522 4.740 0.002 0.000 0.250 1215 N C -0.135 175.426 175.510 0.086 0.000 1.115 1215 N CA 0.953 54.097 53.050 0.157 0.000 0.724 1215 N CB -0.609 37.895 38.487 0.029 0.000 1.090 1215 N HN 0.451 nan 8.380 nan 0.000 0.558 1216 R N -0.258 120.294 120.500 0.086 0.000 2.334 1216 R HA 0.262 4.603 4.340 0.002 0.000 0.216 1216 R C 1.514 177.844 176.300 0.051 0.000 0.905 1216 R CA 0.775 56.906 56.100 0.053 0.000 1.064 1216 R CB 0.479 30.804 30.300 0.041 0.000 1.046 1216 R HN 0.221 nan 8.270 nan 0.000 0.508 1217 A N 0.626 123.491 122.820 0.074 0.000 2.430 1217 A HA 0.448 4.769 4.320 0.002 0.000 0.243 1217 A C 0.707 178.335 177.584 0.072 0.000 1.254 1217 A CA 0.312 52.388 52.037 0.064 0.000 0.914 1217 A CB 0.394 19.432 19.000 0.063 0.000 0.998 1217 A HN 0.334 nan 8.150 nan 0.000 0.515 1218 G N -1.009 107.835 108.800 0.073 0.000 2.698 1218 G HA2 -0.065 3.896 3.960 0.002 0.000 0.225 1218 G HA3 -0.065 3.896 3.960 0.002 0.000 0.225 1218 G C -0.008 174.946 174.900 0.091 0.000 1.345 1218 G CA -0.434 44.699 45.100 0.055 0.000 0.871 1218 G HN 0.587 nan 8.290 nan 0.000 0.540 1219 T N 0.359 114.943 114.554 0.050 0.000 2.802 1219 T HA 0.405 4.756 4.350 0.002 0.000 0.305 1219 T C 2.029 176.826 174.700 0.162 0.000 1.053 1219 T CA 0.627 62.764 62.100 0.061 0.000 1.058 1219 T CB 0.946 69.821 68.868 0.011 0.000 0.988 1219 T HN 0.842 nan 8.240 nan 0.000 0.539 1220 S N 0.804 116.648 115.700 0.240 0.000 2.351 1220 S HA -0.150 4.321 4.470 0.002 0.000 0.220 1220 S C 2.025 176.688 174.600 0.106 0.000 1.035 1220 S CA 1.466 59.797 58.200 0.218 0.000 1.031 1220 S CB -0.335 62.998 63.200 0.221 0.000 0.928 1220 S HN 0.796 nan 8.310 nan 0.000 0.433 1221 E N 0.780 121.027 120.200 0.078 0.000 2.058 1221 E HA -0.235 4.116 4.350 0.002 0.000 0.194 1221 E C 2.277 178.901 176.600 0.039 0.000 0.997 1221 E CA 1.319 57.747 56.400 0.047 0.000 0.801 1221 E CB -0.096 29.623 29.700 0.033 0.000 0.746 1221 E HN 0.547 nan 8.360 nan 0.000 0.450 1222 Q N -0.030 119.794 119.800 0.041 0.000 2.050 1222 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 1222 Q C 2.333 178.355 176.000 0.036 0.000 0.980 1222 Q CA 1.599 57.421 55.803 0.033 0.000 0.840 1222 Q CB -0.117 28.639 28.738 0.030 0.000 0.898 1222 Q HN 0.373 nan 8.270 nan 0.000 0.424 1223 Q N -0.237 119.594 119.800 0.052 0.000 2.061 1223 Q HA -0.152 4.189 4.340 0.002 0.000 0.204 1223 Q C 2.232 178.250 176.000 0.029 0.000 0.984 1223 Q CA 1.299 57.129 55.803 0.045 0.000 0.846 1223 Q CB -0.327 28.447 28.738 0.060 0.000 0.902 1223 Q HN 0.524 nan 8.270 nan 0.000 0.421 1224 G N 0.768 109.587 108.800 0.031 0.000 2.418 1224 G HA2 -0.319 3.642 3.960 0.002 0.000 0.217 1224 G HA3 -0.319 3.642 3.960 0.002 0.000 0.217 1224 G C 0.939 175.848 174.900 0.015 0.000 1.158 1224 G CA 1.238 46.349 45.100 0.020 0.000 0.771 1224 G HN 0.384 nan 8.290 nan 0.000 0.545 1225 D N -0.462 119.948 120.400 0.017 0.000 2.183 1225 D HA -0.059 4.582 4.640 0.002 0.000 0.203 1225 D C 2.269 178.576 176.300 0.011 0.000 0.969 1225 D CA 0.386 54.394 54.000 0.013 0.000 0.842 1225 D CB -0.138 40.670 40.800 0.013 0.000 0.957 1225 D HN 0.171 nan 8.370 nan 0.000 0.484 1226 L N -0.120 121.111 121.223 0.013 0.000 2.141 1226 L HA -0.035 4.306 4.340 0.002 0.000 0.209 1226 L C 2.190 179.066 176.870 0.009 0.000 1.094 1226 L CA 1.522 56.369 54.840 0.011 0.000 0.763 1226 L CB -0.945 41.122 42.059 0.014 0.000 0.908 1226 L HN 0.026 nan 8.230 nan 0.000 0.437 1227 S N -0.499 115.206 115.700 0.008 0.000 2.348 1227 S HA -0.272 4.199 4.470 0.002 0.000 0.221 1227 S C 2.221 176.824 174.600 0.004 0.000 1.033 1227 S CA 1.704 59.907 58.200 0.005 0.000 1.010 1227 S CB -0.411 62.792 63.200 0.004 0.000 0.891 1227 S HN 0.570 nan 8.310 nan 0.000 0.442 1228 K N 0.412 120.815 120.400 0.005 0.000 2.063 1228 K HA -0.137 4.184 4.320 0.002 0.000 0.208 1228 K C 2.296 178.898 176.600 0.003 0.000 1.048 1228 K CA 1.405 57.694 56.287 0.004 0.000 0.928 1228 K CB -0.195 32.308 32.500 0.005 0.000 0.713 1228 K HN 0.365 nan 8.250 nan 0.000 0.442 1229 R N -0.264 120.239 120.500 0.004 0.000 2.093 1229 R HA -0.027 4.314 4.340 0.002 0.000 0.224 1229 R C 2.180 178.482 176.300 0.003 0.000 1.101 1229 R CA 1.655 57.757 56.100 0.004 0.000 0.979 1229 R CB -0.167 30.135 30.300 0.004 0.000 0.877 1229 R HN 0.395 nan 8.270 nan 0.000 0.441 1230 T N -0.631 113.925 114.554 0.003 0.000 3.107 1230 T HA 0.069 4.420 4.350 0.002 0.000 0.249 1230 T C 1.343 176.044 174.700 0.002 0.000 1.096 1230 T CA -0.083 62.019 62.100 0.003 0.000 1.012 1230 T CB 0.071 68.941 68.868 0.003 0.000 0.977 1230 T HN 0.250 nan 8.240 nan 0.000 0.527 1231 K N 1.559 121.959 120.400 0.001 0.000 1.989 1231 K HA -0.331 3.990 4.320 0.002 0.000 0.230 1231 K C 0.509 177.109 176.600 -0.000 0.000 0.947 1231 K CA 1.367 57.655 56.287 0.000 0.000 1.009 1231 K CB -0.855 31.645 32.500 0.000 0.000 0.725 1231 K HN 0.239 nan 8.250 nan 0.000 0.511 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543